From 0fcfb00906f854a1a21646a34cd82a811be86749 Mon Sep 17 00:00:00 2001 From: Diego Prada-Gracia Date: Sun, 5 May 2024 21:55:28 -0600 Subject: [PATCH] In process --- .../digestion/argument/molecule_id.py | 9 +- molsysmt/basic/compare.py | 2 + molsysmt/data/_make/1l2y.h5msm | Bin 730520 -> 0 bytes molsysmt/data/databases/amino_acids/A.pkl.gz | Bin 1231 -> 1231 bytes molsysmt/data/databases/amino_acids/C.pkl.gz | Bin 1332 -> 1332 bytes molsysmt/data/databases/amino_acids/D.pkl.gz | Bin 401 -> 401 bytes molsysmt/data/databases/amino_acids/G.pkl.gz | Bin 1384 -> 1384 bytes molsysmt/data/databases/amino_acids/H.pkl.gz | Bin 1286 -> 1286 bytes molsysmt/data/databases/amino_acids/I.pkl.gz | Bin 483 -> 483 bytes molsysmt/data/databases/amino_acids/L.pkl.gz | Bin 1015 -> 1015 bytes molsysmt/data/databases/amino_acids/M.pkl.gz | Bin 436 -> 468 bytes molsysmt/data/databases/amino_acids/N.pkl.gz | Bin 1000 -> 1000 bytes molsysmt/data/databases/amino_acids/O.pkl.gz | Bin 398 -> 398 bytes molsysmt/data/databases/amino_acids/P.pkl.gz | Bin 920 -> 920 bytes molsysmt/data/databases/amino_acids/S.pkl.gz | Bin 355 -> 355 bytes molsysmt/data/databases/amino_acids/T.pkl.gz | Bin 1063 -> 1063 bytes molsysmt/data/databases/amino_acids/V.pkl.gz | Bin 408 -> 408 bytes .../data/databases/amino_acids/extra.json | 49 + .../amino_acids/make_amino_acids_db.py | 5 +- molsysmt/data/h5msm/1l2y.h5msm | Bin 0 -> 214515 bytes .../element/group/get_bonded_atom_pairs.py | 10 +- .../mmtf_MMTFDecoder/to_molsysmt_MolSys.py | 79 +- .../to_molsysmt_MolSys_backup.py | 19 - .../to_molsysmt_Structures.py | 155 +- .../mmtf_MMTFDecoder/to_molsysmt_Topology.py | 302 +- molsysmt/native/structures.py | 28 +- molsysmt/native/topology.py | 154 + sandbox/1l2y.pdb | 11841 ---------------- sandbox/Tests.ipynb | 186 +- 29 files changed, 299 insertions(+), 12540 deletions(-) delete mode 100644 molsysmt/data/_make/1l2y.h5msm create mode 100644 molsysmt/data/h5msm/1l2y.h5msm delete mode 100644 molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_MolSys_backup.py delete mode 100644 sandbox/1l2y.pdb diff --git a/molsysmt/_private/digestion/argument/molecule_id.py b/molsysmt/_private/digestion/argument/molecule_id.py index 0726cfe53..11df934b7 100644 --- a/molsysmt/_private/digestion/argument/molecule_id.py +++ b/molsysmt/_private/digestion/argument/molecule_id.py @@ -2,6 +2,13 @@ from ...variables import is_all from numpy import ndarray + +functions_with_boolean = ( + 'molsysmt.basic.get.get', + 'molsysmt.basic.compare.compare', + ) + + def digest_molecule_id(molecule_id, caller=None): """Checks if `molecule_id` has the expected type and value. @@ -26,7 +33,7 @@ def digest_molecule_id(molecule_id, caller=None): If the given `molecule_id` has not of the correct type or value. """ - if caller=='molsysmt.basic.get.get': + if caller.endswith(functions_with_boolean): if isinstance(molecule_id, bool): return molecule_id elif caller.startswith('molsysmt.form.') and caller.count('.to_')==2: diff --git a/molsysmt/basic/compare.py b/molsysmt/basic/compare.py index cc1e2e07a..81962de63 100644 --- a/molsysmt/basic/compare.py +++ b/molsysmt/basic/compare.py @@ -3,6 +3,8 @@ from molsysmt._private.variables import is_all import numpy as np +from time import time + @digest() def compare(molecular_system, molecular_system_2, selection='all', structure_indices='all', selection_2='all', structure_indices_2='all', syntax='MolSysMT', rule='equal', diff --git a/molsysmt/data/_make/1l2y.h5msm b/molsysmt/data/_make/1l2y.h5msm deleted file mode 100644 index 0c0b7708cdc62678847d296910c354c37c129ba1..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 730520 zcmeFa2YeOf_Wgb6y>~|H4eN)tPx 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a/molsysmt/data/databases/amino_acids/V.pkl.gz b/molsysmt/data/databases/amino_acids/V.pkl.gz index c368cfb1ee326ab09986565fc98be8d8bc7543d7..f0bedf4cc9f1eec47617f5f91ce9136757a2e806 100644 GIT binary patch delta 16 XcmbQiJcF5CzMF$1CD>vk`$R?nBb5X( delta 16 XcmbQiJcF5CzMF$1pTl$``$R?nA`t`b diff --git a/molsysmt/data/databases/amino_acids/extra.json b/molsysmt/data/databases/amino_acids/extra.json index e5f1adccc..6c5ebf833 100644 --- a/molsysmt/data/databases/amino_acids/extra.json +++ b/molsysmt/data/databases/amino_acids/extra.json @@ -40,6 +40,55 @@ ] } ] + }, + "MET": { + "name": "MET", + "topology": [ + { + "atoms": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "SD", + "CE", + "H1", + "H2", + "H3", + "HA", + "HB2", + "HB3", + "HG2", + "HG3", + "HE1", + "HE2", + "HE3" + ], + "bonds": [ + ["N", "CA"], + ["N", "H1"], + ["N", "H2"], + ["N", "H3"], + ["CA", "C"], + ["CA", "CB"], + ["CA", "HA"], + ["C", "O"], + ["C", "OXT"], + ["CB", "CG"], + ["CB", "HB2"], + ["CB", "HB3"], + ["CG", "SD"], + ["CG", "HG2"], + ["CG", "HG3"], + ["SD", "CE"], + ["CE", "HE1"], + ["CE", "HE2"], + ["CE", "HE3"] + ] + } + ] } } diff --git a/molsysmt/data/databases/amino_acids/make_amino_acids_db.py b/molsysmt/data/databases/amino_acids/make_amino_acids_db.py index b9e6d117b..0ff691079 100644 --- a/molsysmt/data/databases/amino_acids/make_amino_acids_db.py +++ b/molsysmt/data/databases/amino_acids/make_amino_acids_db.py @@ -111,14 +111,15 @@ def is_in(group_name, atoms, bonds, output): #### Gromacs #### -gromacs_top_path = '/usr/local/gromacs/share/gromacs/top/' +gromacs_top_path = '/usr/local/gromacs/share/gromacs/top' # nauta +gromacs_top_path = '/usr/share/gromacs/top' # aleph forcefield_dirs = ['amber03.ff', 'amber94.ff', 'amber96.ff', 'amber99.ff', 'amber99sb.ff', 'amber99sb-ildn.ff', 'amberGS.ff', 'charmm27.ff', 'gromos43a1.ff', 'gromos43a2.ff', 'gromos45a3.ff', 'gromos53a5.ff', 'gromos53a6.ff', 'gromos54a7.ff', 'oplsaa.ff'] for forcefield_dir in forcefield_dirs: - path = 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zQR1)_SD^UaC$lI<>lasl)S)-(zM3Gyx#Ww;P?nCb6(H_CCZUUJfe&j}f`o{bD5+JiV%AmV?iS_j(4`7p3@>',alt_atom_indices) + print('>@> PDB with alt atom location') alt_atom_names = atom_name[alt_atom_indices] alt_group_ids = group_id[alt_atom_indices] @@ -213,8 +214,6 @@ def to_molsysmt_MolSys(item, atom_indices='all', structure_indices='all', skip_d bond_atom1_index_array = vaux_dict(bond_atom1_index_array) bond_atom2_index_array = bond_atom2_index_array[mask] bond_atom2_index_array = vaux_dict(bond_atom2_index_array) - #bond_type_array = bond_type_array[mask] - #bond_order_array = bond_order_array[mask] coordinates = coordinates[:,atom_indices_to_be_kept,:] b_factor = b_factor[atom_indices_to_be_kept] @@ -243,7 +242,6 @@ def to_molsysmt_MolSys(item, atom_indices='all', structure_indices='all', skip_d tmp_item.topology.bonds["atom1_index"] = bond_atom1_index_array tmp_item.topology.bonds["atom2_index"] = bond_atom2_index_array - #tmp_item.topology.bonds["order"] = bond_order_array tmp_item.topology.bonds._remove_empty_columns() tmp_item.topology.bonds._sort_bonds() del(bond_atom1_index_array, bond_atom2_index_array) @@ -253,8 +251,6 @@ def to_molsysmt_MolSys(item, atom_indices='all', structure_indices='all', skip_d tmp_item.topology.rebuild_components(redefine_indices=True, redefine_ids=True, redefine_names=False, redefine_types=True) - return tmp_item - molecule_index = 0 dict_chain_to_groups = tmp_item.topology.atoms.groupby('chain_index')['group_index'].unique().to_dict() @@ -356,21 +352,52 @@ def to_molsysmt_MolSys(item, atom_indices='all', structure_indices='all', skip_d aux_n_molecules = molecule_index - # molecules - tmp_item.topology.reset_molecules(n_molecules=aux_n_molecules) tmp_item.topology.rebuild_molecules(redefine_indices=False, redefine_ids=True, redefine_names=True, redefine_types=True) + tmp_item.topology.rebuild_entities(redefine_indices=True, redefine_ids=True, redefine_names=True, redefine_types=True) + tmp_item.topology.rebuild_chains(redefine_ids=False, redefine_types=True) - # entities + tmp_item.structures.append(coordinates=coordinates, box=box) - tmp_item.topology.rebuild_entities(redefine_indices=True, redefine_ids=True, redefine_names=True, redefine_types=True) + if item.num_models>1: - # structures + item_per_model = [] + chain_index_to_atom_indices = tmp_item.topology.atoms.groupby('chain_index').indices + chain_index = 0 + if item.num_models > 1: + for n_chains_in_model in item.chains_per_model: + chain_indices = [ii for ii in range(chain_index, chain_index+n_chains_in_model)] + aux_atom_indices = [] + for ii in chain_indices: + aux_atom_indices += chain_index_to_atom_indices[ii].tolist() + item_per_model.append(tmp_item.extract(atom_indices=aux_atom_indices, skip_digestion=True)) + chain_index += n_chains_in_model - tmp_item.structures.append(coordinates=coordinates, box=box) + comparison=[] + for ii in range(1, item.num_models): + aux = item_per_model[0].topology.compare(item_per_model[ii].topology, + atom_id=False, atom_name=True, atom_type=True, + group_index=True, group_id=True, group_name=True, + component_index=True, component_name=True, + molecule_index=True, molecule_name=True, + skip_digestion=True) + comparison.append(aux) + + if all(comparison): + + for ii in range(1, item.num_models): + item_per_model[0].structures.append_structures(item_per_model[ii].structures) + + tmp_item = item_per_model[0] + + tmp_item = tmp_item.extract(atom_indices=atom_indices, structure_indices=structure_indices, + copy_if_all=False, skip_digestion=True) + + else: + + print('Warning! The models have different molecular systems. They will be returned separately.') - #tmp_item = tmp_item.extract(atom_indices=atom_indices, structure_indices=structure_indices, - # copy_if_all=False, skip_digestion=True) + tmp_item = item_per_model return tmp_item diff --git a/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_MolSys_backup.py b/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_MolSys_backup.py deleted file mode 100644 index 692947591..000000000 --- a/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_MolSys_backup.py +++ /dev/null @@ -1,19 +0,0 @@ -from molsysmt._private.digestion import digest - -@digest(form='mmtf.MMTFDecoder') -def to_molsysmt_MolSys(item, atom_indices='all', structure_indices='all', skip_digestion=False): - - from molsysmt.native.molsys import MolSys - from .to_molsysmt_Topology import to_molsysmt_Topology - from .to_molsysmt_Structures import to_molsysmt_Structures - from .to_molsysmt_MolecularMechanics import to_molsysmt_MolecularMechanics - - tmp_item = MolSys() - tmp_item.topology = to_molsysmt_Topology(item, atom_indices=atom_indices, skip_digestion=True) - tmp_item.structures = to_molsysmt_Structures(item, atom_indices=atom_indices, structure_indices=structure_indices, - skip_digestion=True) - #tmp_item.molecular_mechanics = to_molsysmt_MolecularMechanics(item, atom_indices=atom_indices, - # skip_digestion=True) - - return tmp_item - diff --git a/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_Structures.py b/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_Structures.py index 5e8a5b907..aed698be9 100644 --- a/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_Structures.py +++ b/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_Structures.py @@ -6,157 +6,10 @@ @digest(form='mmtf.MMTFDecoder') def to_molsysmt_Structures(item, atom_indices='all', structure_indices='all', skip_digestion=False): - from molsysmt.native.structures import Structures - from molsysmt.form.molsysmt_Structures import extract as extract_molsysmt_Structures - from molsysmt.pbc import get_box_from_lengths_and_angles + from .to_molsysmt_MolSys import to_molsysmt_MolSys - n_atoms = item.num_atoms - n_structures = item.num_models + tmp_item = to_molsysmt_MolSys(item, atom_indices=atom_indices, structure_indices=structure_indices, + skip_digestion=True) - if item.num_models>1: - print('molsys.form.mmtf_MMTFDecoder.to_molsysmt_Structures needs to be fixed') - print('to include more than a single structure') - - coordinates = np.column_stack([item.x_coord_list, item.y_coord_list, item.z_coord_list]) - coordinates = coordinates.reshape([-1, item.num_atoms, 3]) - coordinates = puw.quantity(coordinates, 'angstroms') - coordinates = puw.standardize(coordinates) - - atom_index = np.arange(n_atoms, dtype=int) - atom_name = np.empty(n_atoms, dtype=object) - atom_id = np.empty(n_atoms, dtype=int) - group_index = np.arange(n_atoms, dtype=int) - group_id = np.empty(n_atoms, dtype=int) - chain_id = np.empty(n_atoms, dtype=object) - - aux_atom_index = 0 - - for mmtf_group_type, aux_group_index, aux_group_id in zip(item.group_type_list, range(item.num_groups), item.group_id_list): - - mmtf_group = item.group_list[mmtf_group_type] - - for aux_atom_name in zip(mmtf_group['atomNameList']): - - atom_name[aux_atom_index] = aux_atom_name - atom_id[aux_atom_index] = item.atom_id_list[aux_atom_index] - group_index[aux_atom_index] = aux_group_index - group_id[aux_atom_index] = aux_group_id - - aux_atom_index+=1 - - count_groups = 0 - - for aux_chain_index, aux_chain_id in zip(range(item.num_chains), item.chain_id_list): - - n_groups_chain = item.groups_per_chain[aux_chain_index] - - for aux_group_index in range(count_groups, count_groups+n_groups_chain): - for aux_atom_index in np.where(group_index==aux_group_index)[0]: - - chain_id[aux_atom_index] = aux_chain_id - - count_groups+=n_groups_chain - - occupancy = np.array(item.occupancy_list) - alternate_location = np.array(item.alt_loc_list) - b_factor = puw.quantity(np.array(item.b_factor_list), unit='angstroms**2', standardized=True) - ## If atoms with alternate location the highest occupancy or A is taken - ## other pseudo-atoms are removed - - alt_atom_indices = np.where(alternate_location!='')[0] - - if len(alt_atom_indices): - - alt_atom_names = atom_name[alt_atom_indices] - alt_group_ids = group_id[alt_atom_indices] - alt_chain_ids = chain_id[alt_atom_indices] - aux_dict = {} - for aux_atom_index, aux_atom_name, aux_group_id, aux_chain_id in zip(alt_atom_indices, alt_atom_names, alt_group_ids, alt_chain_ids): - aux_key = tuple([aux_atom_name, aux_group_id, aux_chain_id]) - if aux_key in aux_dict: - aux_dict[aux_key].append(aux_atom_index) - else: - aux_dict[aux_key]=[aux_atom_index] - - atoms_to_be_removed_with_alt_loc=[] - chosen_with_alt_loc = [] - for same_atoms in aux_dict.values(): - alt_occupancy = occupancy[same_atoms] - alt_loc = alternate_location[same_atoms] - if np.allclose(alt_occupancy, alt_occupancy[0]): - chosen = same_atoms[np.where(alt_loc=='A')[0][0]] - else: - chosen = same_atoms[np.argmax(alt_occupancy)] - chosen_with_alt_loc.append(chosen) - atoms_to_be_removed_with_alt_loc += [ii for ii in same_atoms if ii !=chosen] - - atom_indices_to_be_kept = list(set(np.arange(n_atoms))-set(atoms_to_be_removed_with_alt_loc)) - - aux_alternate_location = [{}] - for chosen, same_atoms in zip(chosen_with_alt_loc, aux_dict.values()): - atom_index = np.where(atom_indices_to_be_kept==chosen)[0][0] - aux_dict={ - 'location_id':alternate_location[same_atoms], - 'occupancy':occupancy[same_atoms], - 'b_factor':b_factor[same_atoms], - 'atom_id':atom_id[same_atoms], - 'coordinates':coordinates[0,same_atoms,:] - } - aux_alternate_location[0][atom_index]=aux_dict - - coordinates = coordinates[:,atom_indices_to_be_kept,:] - occupancy = occupancy[atom_indices_to_be_kept] - b_factor = b_factor[atom_indices_to_be_kept] - alternate_location = aux_alternate_location - - else: - - alternate_location = None - - structure_id = None - time = None - - if item.unit_cell is not None: - - cell_lengths = np.empty([n_structures,3], dtype='float64') - cell_angles = np.empty([n_structures,3], dtype='float64') - for ii in range(3): - cell_lengths[:,ii] = item.unit_cell[ii] - cell_angles[:,ii] = item.unit_cell[ii+3] - - cell_lengths = puw.quantity(cell_lengths, 'angstroms') - cell_angles = puw.quantity(cell_angles, 'degrees') - - box = get_box_from_lengths_and_angles(cell_lengths, cell_angles, skip_digestion=True) - box = puw.standardize(box) - - else: - - box = None - - bioassembly = {} - - for aux_bioassembly in item.bio_assembly: - - aux = {'chain_indices': [], 'rotations': [], 'translations': []} - - for transformation in aux_bioassembly['transformList']: - - matrix_transformation = np.array(transformation['matrix']).reshape(-1,4) - - aux['chain_indices'].append(transformation['chainIndexList']) - aux['rotations'].append(matrix_transformation[:3,:3]) - aux['translations'].append(puw.quantity(matrix_transformation[:3,3], unit='angstroms', standardized=True)) - - bioassembly[aux_bioassembly['name']] = aux - - tmp_item = Structures(structure_id=structure_id, time=time, coordinates=coordinates, box=box, - occupancy=occupancy, b_factor=b_factor, alternate_location=alternate_location, bioassembly=bioassembly) - - if not is_all(atom_indices)*is_all(structure_indices): - - tmp_item = extract_molsysmt_Structures(tmp_item, atom_indices=atom_indices, - structure_indices=structure_indices, skip_digestion=True) - - return tmp_item + return tmp_item.structures diff --git a/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_Topology.py b/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_Topology.py index 741b7b167..52fc7ca18 100644 --- a/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_Topology.py +++ b/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_Topology.py @@ -7,305 +7,9 @@ @digest(form='mmtf.MMTFDecoder') def to_molsysmt_Topology(item, atom_indices='all', skip_digestion=False): - import warnings - from molsysmt.native.topology import Topology - from molsysmt.config import min_length_protein + from .to_molsysmt_MolSys import to_molsysmt_MolSys - if len(item.group_type_list)!=item.num_groups: - raise NotImplementedMethodError("The mmtf file has a group_type_list with different "\ - "number of groups than the num_groups") + tmp_item = to_molsysmt_MolSys(item, atom_indices=atom_indices, skip_digestion=True) - # atoms, groups and bonds intra group - - n_atoms = item.num_atoms - n_groups = item.num_groups - n_bonds = item.num_bonds - n_chains = item.num_chains - - tmp_item = Topology(n_atoms=n_atoms, n_groups=n_groups, n_bonds=n_bonds, n_chains=n_chains) - - atom_name_array = np.empty(n_atoms, dtype=object) - atom_id_array = np.empty(n_atoms, dtype=int) - atom_type_array = np.empty(n_atoms, dtype=object) - group_index_array = np.empty(n_atoms, dtype=int) - atom_bonded_atom_indices_array = np.empty(n_atoms, dtype=object) - #formal_charge_array = np.empty(n_atoms, dtype=float) - - group_name_array = np.empty(n_groups, dtype=object) - group_id_array = np.empty(n_groups, dtype=int) - group_type_array = np.empty(n_groups, dtype=object) - - bond_atom1_index_array = np.empty(n_bonds, dtype=int) - bond_atom2_index_array = np.empty(n_bonds, dtype=int) - #bond_type_array = np.empty(n_bonds, dtype=object) - #bond_order_array = np.empty(n_bonds, dtype=int) - - chain_index_array = np.empty(n_atoms, dtype=int) - chain_name_array = np.empty(n_chains, dtype=object) - chain_id_array = np.empty(n_chains, dtype=int) - #chain_type_array = np.empty(n_atoms, dtype=object) - - atom_index = 0 - bond_index = 0 - - for mmtf_group_type, group_index, group_id in zip(item.group_type_list, range(item.num_groups), item.group_id_list): - - mmtf_group = item.group_list[mmtf_group_type] - group_name_array[group_index] = mmtf_group['groupName'] - #group_type_array[group_index] = get_group_type_from_group_name(group_name) - group_id_array[group_index] = group_id - - # bonds intra-groups - - for bond_pair, bond_order in zip(np.reshape(mmtf_group['bondAtomList'],(-1,2)), mmtf_group['bondOrderList']): - - bond_atom1_index_array[bond_index]=bond_pair[0]+atom_index - bond_atom2_index_array[bond_index]=bond_pair[1]+atom_index - #bond_order_array[bond_index]=bond_order - bond_index+=1 - - for atom_name, atom_type, atom_formal_charge in zip(mmtf_group['atomNameList'], mmtf_group['elementList'], mmtf_group['formalChargeList']): - - atom_name_array[atom_index] = atom_name - atom_id_array[atom_index] = item.atom_id_list[atom_index] - atom_type_array[atom_index] = atom_type - #formal_charge_array[atom_index] = atom_formal_charge - - group_index_array[atom_index] = group_index - - atom_index+=1 - - # bonds inter-groups in graph - - for bond_pair, bond_order in zip(np.reshape(item.bond_atom_list,(-1,2)), item.bond_order_list): - bond_atom1_index_array[bond_index]=bond_pair[0] - bond_atom2_index_array[bond_index]=bond_pair[1] - #bond_order_array[bond_index]=bond_order - bond_index+=1 - - # chains - - count_groups = 0 - - dict_chain_id = {} - aux_chain_id = 0 - - for chain_index, chain_id, chain_name in zip(range(n_chains), item.chain_id_list, item.chain_name_list): - - if chain_id not in dict_chain_id: - dict_chain_id[chain_id]=aux_chain_id - aux_chain_id+=1 - - chain_name_array[chain_index] = chain_name - chain_id_array[chain_index] = dict_chain_id[chain_id] - - n_groups_chain = item.groups_per_chain[chain_index] - - for group_index in range(count_groups, count_groups+n_groups_chain): - for atom_index in np.where(group_index_array==group_index)[0]: - - chain_index_array[atom_index] = chain_index - - count_groups+=n_groups_chain - - tmp_item.atoms["atom_name"] = atom_name_array - tmp_item.atoms["atom_id"] = atom_id_array - tmp_item.atoms["atom_type"] = atom_type_array - tmp_item.atoms["group_index"] = group_index_array - del(atom_name_array, atom_id_array, atom_type_array, group_index_array) - - #tmp_item.atoms_dataframe["occupancy"] = item.occupancy_list - - #tmp_item.atoms_dataframe["alternate_location"] = np.array(item.alt_loc_list) - #tmp_item.atoms_dataframe["alternate_location"].replace({'':None}, inplace=True) - - tmp_item.groups["group_name"] = group_name_array - tmp_item.groups["group_id"] = group_id_array - tmp_item.groups["group_type"] = group_type_array - del(group_name_array, group_id_array, group_type_array) - tmp_item.rebuild_groups(redefine_ids=False, redefine_types=True) - - #b_factor_array = puw.quantity(np.array(item.b_factor_list), unit='angstroms**2', standardized=True) - #tmp_item.atoms_dataframe["b_factor"] = puw.get_value(b_factor_array) - - #formal_charge_array = puw.quantity(formal_charge_array, unit='e', standardized=True) - #tmp_item.atoms_dataframe["formal_charge"] = puw.get_value(formal_charge_array) - #del(formal_charge_array, b_factor_array) - - #### bonds - - tmp_item.bonds["atom1_index"] = bond_atom1_index_array - tmp_item.bonds["atom2_index"] = bond_atom2_index_array - #tmp_item.bonds["order"] = bond_order_array - del(bond_atom1_index_array, bond_atom2_index_array) #bond_order_array) - tmp_item.bonds._sort_bonds() - - #### chains - - tmp_item.atoms["chain_index"] = chain_index_array - tmp_item.chains["chain_name"] = chain_name_array - tmp_item.chains["chain_id"] = chain_id_array - - del(chain_index_array, chain_name_array, chain_id_array) - - # components - - tmp_item.rebuild_components(redefine_indices=True, redefine_ids=True, redefine_names=False, redefine_types=False) - - molecule_index = 0 - - dict_chain_to_groups = tmp_item.atoms.groupby('chain_index')['group_index'].unique().to_dict() - - for mmtf_entity in item.entity_list: - - entity_name = mmtf_entity['description'] - - for chain_index in mmtf_entity['chainIndexList']: - - group_indices = dict_chain_to_groups[chain_index] - - first_group_type = tmp_item.groups.iat[group_indices[0],2] - - if first_group_type == 'water': - - for group_index in group_indices: - - component_index = tmp_item.groups.iat[group_index,3] - - tmp_item.components.iat[component_index,3]=molecule_index - tmp_item.components.iat[component_index,2]='water' - tmp_item.components.iat[component_index,1]='water' - molecule_index+=1 - - elif first_group_type == 'ion': - - for group_index in group_indices: - - component_index = tmp_item.groups.iat[group_index,3] - - tmp_item.components.iat[component_index,3]=molecule_index - tmp_item.components.iat[component_index,2]='ion' - tmp_item.components.iat[component_index,1]=entity_name - molecule_index+=1 - - elif first_group_type == 'small molecule': - - for group_index in group_indices: - - component_index = tmp_item.groups.iat[group_index,3] - - tmp_item.components.iat[component_index,3]=molecule_index - tmp_item.components.iat[component_index,2]='small molecule' - tmp_item.components.iat[component_index,1]=entity_name - molecule_index+=1 - - elif first_group_type == 'lipid': - - for group_index in group_indices: - - component_index = tmp_item.groups.iat[group_index,3] - - tmp_item.components.iat[component_index,3]=molecule_index - tmp_item.components.iat[component_index,2]='lipid' - tmp_item.components.iat[component_index,1]=entity_name - molecule_index+=1 - - elif first_group_type in ['terminal capping', 'amino acid']: - - n_groups = len(group_indices) - - if first_group_type == 'terminal capping': - n_groups -= 1 - - last_group_type = tmp_item.groups.iat[group_indices[-1],2] - - if last_group_type == 'terminal capping': - n_groups -= 1 - - if n_groups >= min_length_protein: - tmp_type = 'protein' - else: - tmp_type = 'peptide' - - component_indices = tmp_item.groups.iloc[group_indices,3].unique() - - for component_index in component_indices: - - tmp_item.components.iat[component_index,3]=molecule_index - tmp_item.components.iat[component_index,2]=tmp_type - tmp_item.components.iat[component_index,1]=entity_name - - molecule_index+=1 - - pass - - elif first_group_type == 'nucleotide': - - pass - - else: - - raise ValueError("Entity type not recognized:", first_group_type) - - del group_indices - - del dict_chain_to_groups - - aux_n_molecules = molecule_index - - # molecules - - tmp_item.reset_molecules(n_molecules=aux_n_molecules) - tmp_item.rebuild_molecules(redefine_indices=False, redefine_ids=True, redefine_names=True, redefine_types=True) - - # entities - - tmp_item.rebuild_entities(redefine_indices=True, redefine_ids=True, redefine_names=True, redefine_types=True) - - ## nan to None - - #tmp_item._nan_to_None() - - ## If atoms with alternate location the highest occupancy or A is taken - ## other pseudo-atoms are removed - - occupancy = item.occupancy_list - alternate_location = np.array(item.alt_loc_list) - alt_atom_indices = np.where(alternate_location!='')[0] - aux_dict = {} - - if len(alt_atom_indices): - - alt_atom_names = tmp_item.atoms["atom_name"][alt_atom_indices].to_numpy() - alt_group_index = tmp_item.atoms["group_index"][alt_atom_indices].to_numpy() - alt_chain_index = tmp_item.atoms["chain_index"][alt_atom_indices].to_numpy() - for aux_atom_index, aux_atom_name, aux_group_index, aux_chain_index in zip(alt_atom_indices, - alt_atom_names, alt_group_index, - alt_chain_index): - aux_key = tuple([aux_atom_name, aux_group_index, aux_chain_index]) - if aux_key in aux_dict: - aux_dict[aux_key].append(aux_atom_index) - else: - aux_dict[aux_key]=[aux_atom_index] - - atoms_to_be_removed_with_alt_loc=[] - for same_atoms in aux_dict.values(): - alt_occupancy = occupancy[same_atoms] - alt_loc = alternate_location[same_atoms] - if np.allclose(alt_occupancy, alt_occupancy[0]): - chosen = np.where(alt_loc=='A')[0][0] - else: - chosen = np.argmax(alt_occupancy) - chosen = same_atoms.pop(chosen) - atoms_to_be_removed_with_alt_loc += same_atoms - - if not is_all(atom_indices): - atom_indices = list(set(atom_indices)-set(atoms_to_be_removed_with_alt_loc)) - tmp_item = tmp_item.extract(atom_indices) - else: - if len(atoms_to_be_removed_with_alt_loc): - atom_indices = list(set(np.arange(n_atoms))-set(atoms_to_be_removed_with_alt_loc)) - tmp_item = tmp_item.extract(atom_indices) - - return tmp_item + return tmp_item.topology diff --git a/molsysmt/native/structures.py b/molsysmt/native/structures.py index 53f55d420..04772c9ab 100644 --- a/molsysmt/native/structures.py +++ b/molsysmt/native/structures.py @@ -417,18 +417,22 @@ def append(self, structure_id=None, time=None, coordinates=None, velocities=None @digest(form='molsysmt.Structures') def append_structures(self, item, atom_indices='all', structure_indices='all', skip_digestion=False): - self.append(structure_id=item.structure_id, - time=item.time, - coordinates=item.coordinates, - velocities=item.velocities, - box=item.box, - temperature=item.temperature, - potential_energy=item.potential_energy, - kinetic_energy=item.kinetic_energy, - atom_indices=item.atom_indices, - structure_indices=item.structure_indices, - skip_digestion=True - ) + if is_all(atom_indices) and is_all(structure_indices): + + self.append(structure_id=item.structure_id, + time=item.time, + coordinates=item.coordinates, + velocities=item.velocities, + box=item.box, + temperature=item.temperature, + potential_energy=item.potential_energy, + kinetic_energy=item.kinetic_energy, + skip_digestion=True + ) + + else: + + raise NotImplementedError @digest(form='molsysmt.Structures') def add(self, item, atom_indices='all', structure_indices='all', skip_digestion=False): diff --git a/molsysmt/native/topology.py b/molsysmt/native/topology.py index a2edf6988..a0126a6ac 100644 --- a/molsysmt/native/topology.py +++ b/molsysmt/native/topology.py @@ -753,3 +753,157 @@ def _sort_bonds(self): self.bonds._sort_bonds() + @digest() + def compare(self, item, rule='equal', output_type='boolean', skip_digestion=False, **kwargs): + + if rule == 'equal': + + output = {} + + if 'n_atoms' in kwargs: + + tmp_output = (self.atoms.shape[0]==item.atoms.shape[0]) + output['n_atoms'] = (kwargs['n_atoms'] == tmp_output) + + if 'atom_index' in kwargs: + + tmp_output = (self.atoms.shape[0]==item.atoms.shape[0]) + output['atom_index'] = (kwargs['atom_index'] == tmp_output) + + if 'atom_id' in kwargs: + + tmp_output = (self.atoms['atom_id'].values==item.atoms['atom_id'].values).all() + output['atom_id'] = (kwargs['atom_id'] == tmp_output) + + if 'atom_name' in kwargs: + + tmp_output = (self.atoms['atom_name'].values==item.atoms['atom_name'].values).all() + output['atom_name'] = (kwargs['atom_name'] == tmp_output) + + if 'atom_type' in kwargs: + + tmp_output = (self.atoms['atom_type'].values==item.atoms['atom_type'].values).all() + output['atom_type'] = (kwargs['atom_type'] == tmp_output) + + if 'n_groups' in kwargs: + + tmp_output = (self.groups.shape[0]==item.groups.shape[0]) + output['n_groups'] = (kwargs['n_groups'] == tmp_output) + + if 'group_index' in kwargs: + + tmp_output = (self.atoms['group_index'].values==item.atoms['group_index'].values).all() + output['group_index'] = (kwargs['group_index'] == tmp_output) + + if 'group_id' in kwargs: + + tmp_output = (self.groups['group_id'].values==item.groups['group_id'].values).all() + output['group_id'] = (kwargs['group_id'] == tmp_output) + + if 'group_name' in kwargs: + + tmp_output = (self.groups['group_name'].values==item.groups['group_name'].values).all() + output['group_name'] = (kwargs['group_name'] == tmp_output) + + if 'group_type' in kwargs: + + tmp_output = (self.groups['group_type'].values==item.groups['group_type'].values).all() + output['group_type'] = (kwargs['group_type'] == tmp_output) + + if 'component_index' in kwargs: + + tmp_output = (self.groups['component_index'].values==item.groups['component_index'].values).all() + output['component_index'] = (kwargs['component_index'] == tmp_output) + + if 'component_id' in kwargs: + + tmp_output = (self.components['component_id'].values==item.components['component_id'].values).all() + output['component_id'] = (kwargs['component_id'] == tmp_output) + + if 'component_name' in kwargs: + + tmp_output = (self.components['component_name'].values==item.components['component_name'].values).all() + output['component_name'] = (kwargs['component_name'] == tmp_output) + + if 'component_type' in kwargs: + + tmp_output = (self.components['component_type'].values==item.components['component_type'].values).all() + output['component_type'] = (kwargs['component_type'] == tmp_output) + + if 'molecule_index' in kwargs: + + tmp_output = (self.components['molecule_index'].values==item.components['molecule_index'].values).all() + output['molecule_index'] = (kwargs['molecule_index'] == tmp_output) + + if 'molecule_id' in kwargs: + + tmp_output = (self.molecules['molecule_id'].values==item.molecules['molecule_id'].values).all() + output['molecule_id'] = (kwargs['molecule_id'] == tmp_output) + + if 'molecule_name' in kwargs: + + tmp_output = (self.molecules['molecule_name'].values==item.molecules['molecule_name'].values).all() + output['molecule_name'] = (kwargs['molecule_name'] == tmp_output) + + if 'molecule_type' in kwargs: + + tmp_output = (self.molecules['molecule_type'].values==item.molecules['molecule_type'].values).all() + output['molecule_type'] = (kwargs['molecule_type'] == tmp_output) + + if 'entity_index' in kwargs: + + tmp_output = (self.molecules['entity_index'].values==item.molecules['entity_index'].values).all() + output['entity_index'] = (kwargs['entity_index'] == tmp_output) + + if 'entity_id' in kwargs: + + tmp_output = (self.entities['entity_id'].values==item.entities['entity_id'].values).all() + output['entity_id'] = (kwargs['entity_id'] == tmp_output) + + if 'entity_name' in kwargs: + + tmp_output = (self.entities['entity_name'].values==item.entities['entity_name'].values).all() + output['entity_name'] = (kwargs['entity_name'] == tmp_output) + + if 'entity_type' in kwargs: + + tmp_output = (self.entities['entity_type'].values==item.entities['entity_type'].values).all() + output['entity_type'] = (kwargs['entity_type'] == tmp_output) + + if 'chain_index' in kwargs: + + tmp_output = (self.atoms['chain_index'].values==item.atoms['chain_index'].values).all() + output['chain_index'] = (kwargs['chain_index'] == tmp_output) + + if 'chain_id' in kwargs: + + tmp_output = (self.chains['chain_id'].values==item.chains['chain_id'].values).all() + output['chain_id'] = (kwargs['chain_id'] == tmp_output) + + if 'chain_name' in kwargs: + + tmp_output = (self.chains['chain_name'].values==item.chains['chain_name'].values).all() + output['chain_name'] = (kwargs['chain_name'] == tmp_output) + + if 'chain_type' in kwargs: + + tmp_output = (self.chains['chain_type'].values==item.chains['chain_type'].values).all() + output['chain_type'] = (kwargs['chain_type'] == tmp_output) + + if 'n_bonds' in kwargs: + + tmp_output = (self.bonds.shape[0]==item.bonds.shape[0]).all() + output['n_bonds'] = (kwargs['n_bonds'] == tmp_output) + + if 'bonded_atom_pairs' in kwargs: + + tmp_output1 = (self.bonds['atom1_index'] == item.bonds['atom1_index']).all() + tmp_output2 = (self.bonds['atom2_index'] == item.bonds['atom2_index']).all() + tmp_output = tmp_output1*tmp_output2 + output['bonded_atom_pairs'] = (kwargs['bonded_atom_pairs'] == tmp_output) + + if output_type=='boolean': + output = all(list(output.values())) + + return output + diff --git a/sandbox/1l2y.pdb b/sandbox/1l2y.pdb deleted file mode 100644 index b84d97a43..000000000 --- a/sandbox/1l2y.pdb +++ /dev/null @@ -1,11841 +0,0 @@ -HEADER DE NOVO PROTEIN 25-FEB-02 1L2Y -TITLE NMR STRUCTURE OF TRP-CAGE MINIPROTEIN CONSTRUCT TC5B -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: TC5B; -COMPND 3 CHAIN: A; -COMPND 4 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 SYNTHETIC: YES; -SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS SYNTHESIZED USING STANDARD FMOC -SOURCE 4 SOLID-PHASE SYNTHESIS METHODS ON AN APPLIED BIOSYSTEMS 433A PEPTIDE -SOURCE 5 SYNTHESIZER. -KEYWDS MINIPROTEIN, TWO-STATE FOLDING, TRP-CAGE, DE NOVO PROTEIN -EXPDTA SOLUTION NMR -NUMMDL 38 -AUTHOR J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN -REVDAT 4 14-JUN-23 1L2Y 1 REMARK -REVDAT 3 05-FEB-20 1L2Y 1 REMARK -REVDAT 2 24-FEB-09 1L2Y 1 VERSN -REVDAT 1 29-MAY-02 1L2Y 0 -JRNL AUTH J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN -JRNL TITL DESIGNING A 20-RESIDUE PROTEIN. -JRNL REF NAT.STRUCT.BIOL. V. 9 425 2002 -JRNL REFN ISSN 1072-8368 -JRNL PMID 11979279 -JRNL DOI 10.1038/NSB798 -REMARK 2 -REMARK 2 RESOLUTION. NOT APPLICABLE. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : XWINNMR 2.6, AMBER 6.0 -REMARK 3 AUTHORS : BRUKER (XWINNMR), KOLLMAN (AMBER) -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: 169 NOE DISTANCE CONSTRAINTS WERE -REMARK 3 EMPLOYED. CNS WAS EMPLOYED FOR S.A., FOLLOWED BY MINIMIZATION -REMARK 3 USING THE SANDER MODULE OF AMBER. -REMARK 4 -REMARK 4 1L2Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-FEB-02. -REMARK 100 THE DEPOSITION ID IS D_1000015598. -REMARK 210 -REMARK 210 EXPERIMENTAL DETAILS -REMARK 210 EXPERIMENT TYPE : NMR -REMARK 210 TEMPERATURE (KELVIN) : 282 -REMARK 210 PH : 7 -REMARK 210 IONIC STRENGTH : NULL -REMARK 210 PRESSURE : AMBIENT -REMARK 210 SAMPLE CONTENTS : 1.0-1.8 MM TC5B -REMARK 210 -REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY -REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ -REMARK 210 SPECTROMETER MODEL : DRX -REMARK 210 SPECTROMETER MANUFACTURER : BRUKER -REMARK 210 -REMARK 210 STRUCTURE DETERMINATION. -REMARK 210 SOFTWARE USED : FELIX 95, CNS 1.0, AMBER 6.0 -REMARK 210 METHOD USED : SIMULATED ANNEALING FROM RANDOM -REMARK 210 STRUCTURES FOLLOWED BY STEEPEST -REMARK 210 DESCENT MINIMIZATION -REMARK 210 -REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 -REMARK 210 CONFORMERS, NUMBER SUBMITTED : 38 -REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE -REMARK 210 COVALENT GEOMETRY, STRUCTURES -REMARK 210 WITH THE LEAST RESTRAINT -REMARK 210 VIOLATIONS -REMARK 210 -REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL -REMARK 210 -REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D -REMARK 210 HOMONUCLEAR TECHNIQUES. -REMARK 215 -REMARK 215 NMR STUDY -REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION -REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT -REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON -REMARK 215 THESE RECORDS ARE MEANINGLESS. -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 O ASP A 9 HG SER A 14 1.55 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 2 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES -REMARK 500 13 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 5 LEU A 2 -34.83 72.95 -REMARK 500 6 LEU A 2 -33.93 63.45 -REMARK 500 9 LEU A 2 -18.34 57.13 -REMARK 500 13 LEU A 2 -33.72 66.32 -REMARK 500 18 LEU A 2 -3.11 60.50 -REMARK 500 19 LEU A 2 -1.16 58.98 -REMARK 500 20 LEU A 2 -32.96 68.39 -REMARK 500 23 LEU A 2 -47.12 63.92 -REMARK 500 28 LEU A 2 -2.46 61.26 -REMARK 500 29 LEU A 2 -42.02 66.43 -REMARK 500 34 PRO A 12 11.15 -66.86 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: 5292 RELATED DB: BMRB -REMARK 900 BMRB 5292 IS CHEMICAL SHIFTS FOR TC5B IN BUFFER AND BUFFER -REMARK 900 CONTAINING 30 VOL-% TFE. -REMARK 900 RELATED ID: 1JRJ RELATED DB: PDB -REMARK 900 1JRJ IS AN ANALAGOUS C-TERMINAL STRUCTURE. -DBREF 1L2Y A 1 20 PDB 1L2Y 1L2Y 1 20 -SEQRES 1 A 20 ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER -SEQRES 2 A 20 SER GLY ARG PRO PRO PRO SER -HELIX 1 1 ASN A 1 ASP A 9 1 9 -HELIX 2 2 GLY A 10 GLY A 15 5 6 -CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 1.000000 0.000000 0.000000 0.00000 -SCALE2 0.000000 1.000000 0.000000 0.00000 -SCALE3 0.000000 0.000000 1.000000 0.00000 -MODEL 1 -ATOM 1 N ASN A 1 -8.901 4.127 -0.555 1.00 0.00 N -ATOM 2 CA ASN A 1 -8.608 3.135 -1.618 1.00 0.00 C -ATOM 3 C ASN A 1 -7.117 2.964 -1.897 1.00 0.00 C -ATOM 4 O ASN A 1 -6.634 1.849 -1.758 1.00 0.00 O -ATOM 5 CB ASN A 1 -9.437 3.396 -2.889 1.00 0.00 C -ATOM 6 CG ASN A 1 -10.915 3.130 -2.611 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -11.269 2.700 -1.524 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -11.806 3.406 -3.543 1.00 0.00 N -ATOM 9 H1 ASN A 1 -8.330 3.957 0.261 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.740 5.068 -0.889 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.877 4.041 -0.293 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.930 2.162 -1.239 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -9.310 4.417 -3.193 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -9.108 2.719 -3.679 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -11.572 3.791 -4.444 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -12.757 3.183 -3.294 1.00 0.00 H -ATOM 17 N LEU A 2 -6.379 4.031 -2.228 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.923 4.002 -2.452 1.00 0.00 C -ATOM 19 C LEU A 2 -4.136 3.187 -1.404 1.00 0.00 C -ATOM 20 O LEU A 2 -3.391 2.274 -1.760 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.411 5.450 -2.619 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.795 6.450 -1.495 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.612 6.803 -0.599 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -5.351 7.748 -2.084 1.00 0.00 C -ATOM 25 H LEU A 2 -6.821 4.923 -2.394 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.750 3.494 -3.403 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.340 5.414 -2.672 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -4.813 5.817 -3.564 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.568 6.022 -0.858 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -3.207 5.905 -0.146 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.841 7.304 -1.183 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.929 7.477 0.197 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -4.607 8.209 -2.736 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -6.255 7.544 -2.657 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -5.592 8.445 -1.281 1.00 0.00 H -ATOM 36 N TYR A 3 -4.354 3.455 -0.111 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.690 2.738 0.981 1.00 0.00 C -ATOM 38 C TYR A 3 -4.102 1.256 1.074 1.00 0.00 C -ATOM 39 O TYR A 3 -3.291 0.409 1.442 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.964 3.472 2.302 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.824 3.339 3.290 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.746 2.217 4.138 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.820 4.326 3.332 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.657 2.076 5.018 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.725 4.185 4.205 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.639 3.053 5.043 1.00 0.00 C -ATOM 47 OH TYR A 3 0.433 2.881 5.861 1.00 0.00 O -ATOM 48 H TYR A 3 -4.934 4.245 0.120 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.615 2.768 0.796 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.117 4.513 2.091 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.886 3.096 2.750 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.513 1.456 4.101 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.877 5.200 2.695 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.576 1.221 5.669 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.033 4.952 4.233 1.00 0.00 H -ATOM 56 HH TYR A 3 1.187 3.395 5.567 1.00 0.00 H -ATOM 57 N ILE A 4 -5.342 0.925 0.689 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.857 -0.449 0.613 1.00 0.00 C -ATOM 59 C ILE A 4 -5.089 -1.221 -0.470 1.00 0.00 C -ATOM 60 O ILE A 4 -4.621 -2.334 -0.226 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.386 -0.466 0.343 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.197 0.540 1.197 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.959 -1.884 0.501 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.019 0.412 2.715 1.00 0.00 C -ATOM 65 H ILE A 4 -5.906 1.656 0.283 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.670 -0.941 1.568 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.554 -0.192 -0.697 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -7.900 1.531 0.912 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -9.257 0.424 0.964 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.509 -2.555 -0.232 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.759 -2.271 1.501 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.036 -1.871 0.332 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -8.306 -0.585 3.049 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -6.983 0.606 2.995 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.656 1.144 3.213 1.00 0.00 H -ATOM 76 N GLN A 5 -4.907 -0.601 -1.645 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.122 -1.167 -2.743 1.00 0.00 C -ATOM 78 C GLN A 5 -2.629 -1.321 -2.390 1.00 0.00 C -ATOM 79 O GLN A 5 -1.986 -2.240 -2.884 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.292 -0.313 -4.013 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.244 -1.171 -5.290 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.576 -1.860 -5.585 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.769 -3.044 -5.335 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -6.532 -1.146 -6.152 1.00 0.00 N -ATOM 85 H GLN A 5 -5.327 0.318 -1.763 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.517 -2.162 -2.940 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.238 0.191 -3.969 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.492 0.429 -4.053 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -3.993 -0.539 -6.120 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -3.458 -1.923 -5.205 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -6.389 -0.184 -6.408 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -7.392 -1.635 -6.335 1.00 0.00 H -ATOM 93 N TRP A 6 -2.074 -0.459 -1.528 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.716 -0.631 -0.993 1.00 0.00 C -ATOM 95 C TRP A 6 -0.631 -1.766 0.044 1.00 0.00 C -ATOM 96 O TRP A 6 0.295 -2.579 -0.004 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.221 0.703 -0.417 1.00 0.00 C -ATOM 98 CG TRP A 6 1.148 0.652 0.194 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.319 0.664 -0.482 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.508 0.564 1.606 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.371 0.560 0.411 1.00 0.00 N -ATOM 102 CE2 TRP A 6 2.928 0.515 1.710 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.779 0.524 2.812 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.599 0.445 2.938 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.439 0.433 4.053 1.00 0.00 C -ATOM 106 CH2 TRP A 6 2.842 0.407 4.120 1.00 0.00 C -ATOM 107 H TRP A 6 -2.624 0.343 -1.242 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.052 -0.908 -1.813 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.206 1.425 -1.211 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.921 1.044 0.344 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.412 0.733 -1.558 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.360 0.536 0.156 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.299 0.571 2.773 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.679 0.418 2.961 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 0.862 0.400 4.966 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.334 0.360 5.081 1.00 0.00 H -ATOM 117 N LEU A 7 -1.600 -1.860 0.967 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.641 -2.932 1.963 1.00 0.00 C -ATOM 119 C LEU A 7 -1.847 -4.319 1.342 1.00 0.00 C -ATOM 120 O LEU A 7 -1.144 -5.248 1.742 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.710 -2.645 3.033 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.301 -1.579 4.069 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.475 -1.323 5.018 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.093 -2.007 4.914 1.00 0.00 C -ATOM 125 H LEU A 7 -2.316 -1.137 0.994 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.666 -2.978 2.445 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.600 -2.308 2.537 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.921 -3.571 3.572 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.061 -0.649 3.560 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.343 -0.992 4.449 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.725 -2.237 5.560 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.211 -0.549 5.739 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.270 -2.989 5.354 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.195 -2.045 4.300 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.922 -1.286 5.712 1.00 0.00 H -ATOM 136 N LYS A 8 -2.753 -4.481 0.360 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.024 -5.791 -0.269 1.00 0.00 C -ATOM 138 C LYS A 8 -1.796 -6.427 -0.937 1.00 0.00 C -ATOM 139 O LYS A 8 -1.719 -7.648 -1.030 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.224 -5.697 -1.232 1.00 0.00 C -ATOM 141 CG LYS A 8 -3.930 -5.009 -2.577 1.00 0.00 C -ATOM 142 CD LYS A 8 -3.682 -5.986 -3.736 1.00 0.00 C -ATOM 143 CE LYS A 8 -3.494 -5.199 -5.039 1.00 0.00 C -ATOM 144 NZ LYS A 8 -4.563 -5.483 -6.023 1.00 0.00 N -ATOM 145 H LYS A 8 -3.321 -3.675 0.097 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.309 -6.478 0.529 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.565 -6.694 -1.436 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -5.019 -5.143 -0.731 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.769 -4.390 -2.830 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -3.062 -4.368 -2.469 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -2.799 -6.562 -3.536 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -4.524 -6.674 -3.818 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -3.502 -4.150 -4.813 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -2.511 -5.439 -5.457 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -4.621 -6.474 -6.211 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -5.442 -5.124 -5.657 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -4.382 -4.983 -6.881 1.00 0.00 H -ATOM 158 N ASP A 9 -0.828 -5.607 -1.355 1.00 0.00 N -ATOM 159 CA ASP A 9 0.466 -6.016 -1.905 1.00 0.00 C -ATOM 160 C ASP A 9 1.481 -6.464 -0.832 1.00 0.00 C -ATOM 161 O ASP A 9 2.545 -6.971 -1.194 1.00 0.00 O -ATOM 162 CB ASP A 9 1.033 -4.839 -2.724 1.00 0.00 C -ATOM 163 CG ASP A 9 0.672 -4.906 -4.210 1.00 0.00 C -ATOM 164 OD1 ASP A 9 -0.532 -5.051 -4.522 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.627 -4.815 -5.017 1.00 0.00 O -ATOM 166 H ASP A 9 -1.010 -4.616 -1.291 1.00 0.00 H -ATOM 167 HA ASP A 9 0.319 -6.867 -2.574 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.644 -3.924 -2.320 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.116 -4.837 -2.650 1.00 0.00 H -ATOM 170 N GLY A 10 1.185 -6.278 0.464 1.00 0.00 N -ATOM 171 CA GLY A 10 2.060 -6.618 1.593 1.00 0.00 C -ATOM 172 C GLY A 10 2.628 -5.412 2.353 1.00 0.00 C -ATOM 173 O GLY A 10 3.496 -5.594 3.208 1.00 0.00 O -ATOM 174 H GLY A 10 0.265 -5.908 0.693 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.486 -7.214 2.304 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.897 -7.228 1.252 1.00 0.00 H -ATOM 177 N GLY A 11 2.172 -4.187 2.055 1.00 0.00 N -ATOM 178 CA GLY A 11 2.626 -2.967 2.723 1.00 0.00 C -ATOM 179 C GLY A 11 4.157 -2.802 2.654 1.00 0.00 C -ATOM 180 O GLY A 11 4.710 -2.829 1.551 1.00 0.00 O -ATOM 181 H GLY A 11 1.481 -4.089 1.319 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.164 -2.109 2.237 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.280 -2.997 3.753 1.00 0.00 H -ATOM 184 N PRO A 12 4.871 -2.651 3.794 1.00 0.00 N -ATOM 185 CA PRO A 12 6.333 -2.533 3.806 1.00 0.00 C -ATOM 186 C PRO A 12 7.058 -3.729 3.165 1.00 0.00 C -ATOM 187 O PRO A 12 8.139 -3.562 2.601 1.00 0.00 O -ATOM 188 CB PRO A 12 6.740 -2.387 5.279 1.00 0.00 C -ATOM 189 CG PRO A 12 5.460 -1.952 5.987 1.00 0.00 C -ATOM 190 CD PRO A 12 4.362 -2.615 5.160 1.00 0.00 C -ATOM 191 HA PRO A 12 6.611 -1.626 3.267 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.091 -3.323 5.670 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.531 -1.647 5.403 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.443 -2.302 7.001 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.358 -0.867 5.929 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.173 -3.609 5.516 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.440 -2.042 5.246 1.00 0.00 H -ATOM 198 N SER A 13 6.463 -4.929 3.205 1.00 0.00 N -ATOM 199 CA SER A 13 7.049 -6.179 2.704 1.00 0.00 C -ATOM 200 C SER A 13 6.897 -6.369 1.185 1.00 0.00 C -ATOM 201 O SER A 13 7.025 -7.488 0.697 1.00 0.00 O -ATOM 202 CB SER A 13 6.458 -7.371 3.472 1.00 0.00 C -ATOM 203 OG SER A 13 6.763 -7.264 4.850 1.00 0.00 O -ATOM 204 H SER A 13 5.535 -4.999 3.613 1.00 0.00 H -ATOM 205 HA SER A 13 8.121 -6.159 2.903 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.393 -7.382 3.344 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.880 -8.302 3.093 1.00 0.00 H -ATOM 208 HG SER A 13 7.707 -7.394 4.970 1.00 0.00 H -ATOM 209 N SER A 14 6.637 -5.290 0.434 1.00 0.00 N -ATOM 210 CA SER A 14 6.389 -5.315 -1.015 1.00 0.00 C -ATOM 211 C SER A 14 7.332 -4.405 -1.823 1.00 0.00 C -ATOM 212 O SER A 14 7.082 -4.123 -2.993 1.00 0.00 O -ATOM 213 CB SER A 14 4.914 -4.993 -1.265 1.00 0.00 C -ATOM 214 OG SER A 14 4.431 -5.743 -2.358 1.00 0.00 O -ATOM 215 H SER A 14 6.509 -4.415 0.930 1.00 0.00 H -ATOM 216 HA SER A 14 6.562 -6.329 -1.378 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.344 -5.236 -0.389 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.778 -3.934 -1.457 1.00 0.00 H -ATOM 219 HG SER A 14 3.714 -6.324 -1.987 1.00 0.00 H -ATOM 220 N GLY A 15 8.419 -3.920 -1.202 1.00 0.00 N -ATOM 221 CA GLY A 15 9.451 -3.116 -1.870 1.00 0.00 C -ATOM 222 C GLY A 15 8.984 -1.725 -2.316 1.00 0.00 C -ATOM 223 O GLY A 15 9.539 -1.177 -3.267 1.00 0.00 O -ATOM 224 H GLY A 15 8.573 -4.210 -0.246 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.297 -2.987 -1.194 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.805 -3.652 -2.752 1.00 0.00 H -ATOM 227 N ARG A 16 7.956 -1.164 -1.660 1.00 0.00 N -ATOM 228 CA ARG A 16 7.289 0.084 -2.054 1.00 0.00 C -ATOM 229 C ARG A 16 6.855 0.916 -0.829 1.00 0.00 C -ATOM 230 O ARG A 16 6.222 0.366 0.076 1.00 0.00 O -ATOM 231 CB ARG A 16 6.110 -0.243 -2.994 1.00 0.00 C -ATOM 232 CG ARG A 16 5.046 -1.171 -2.378 1.00 0.00 C -ATOM 233 CD ARG A 16 3.923 -1.592 -3.338 1.00 0.00 C -ATOM 234 NE ARG A 16 4.251 -2.811 -4.100 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.859 -2.914 -5.274 1.00 0.00 C -ATOM 236 NH1 ARG A 16 5.289 -1.864 -5.937 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.035 -4.095 -5.809 1.00 0.00 N -ATOM 238 H ARG A 16 7.579 -1.676 -0.874 1.00 0.00 H -ATOM 239 HA ARG A 16 8.009 0.663 -2.630 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.634 0.678 -3.269 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.524 -0.720 -3.880 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.538 -2.059 -2.031 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.579 -0.652 -1.549 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.033 -1.774 -2.766 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.669 -0.765 -4.003 1.00 0.00 H -ATOM 246 HE ARG A 16 3.963 -3.694 -3.698 1.00 0.00 H -ATOM 247 HH11 ARG A 16 5.150 -0.962 -5.521 1.00 0.00 H -ATOM 248 HH12 ARG A 16 5.761 -1.962 -6.815 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.649 -4.894 -5.327 1.00 0.00 H -ATOM 250 HH22 ARG A 16 5.508 -4.205 -6.684 1.00 0.00 H -ATOM 251 N PRO A 17 7.156 2.230 -0.780 1.00 0.00 N -ATOM 252 CA PRO A 17 6.782 3.088 0.345 1.00 0.00 C -ATOM 253 C PRO A 17 5.261 3.331 0.395 1.00 0.00 C -ATOM 254 O PRO A 17 4.586 3.165 -0.624 1.00 0.00 O -ATOM 255 CB PRO A 17 7.554 4.394 0.119 1.00 0.00 C -ATOM 256 CG PRO A 17 7.677 4.474 -1.401 1.00 0.00 C -ATOM 257 CD PRO A 17 7.820 3.010 -1.816 1.00 0.00 C -ATOM 258 HA PRO A 17 7.107 2.628 1.279 1.00 0.00 H -ATOM 259 HB2 PRO A 17 7.009 5.234 0.505 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.548 4.308 0.561 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.800 4.914 -1.836 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.540 5.066 -1.707 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.349 2.844 -2.766 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.876 2.739 -1.855 1.00 0.00 H -ATOM 265 N PRO A 18 4.710 3.739 1.555 1.00 0.00 N -ATOM 266 CA PRO A 18 3.287 4.031 1.686 1.00 0.00 C -ATOM 267 C PRO A 18 2.901 5.305 0.913 1.00 0.00 C -ATOM 268 O PRO A 18 3.684 6.256 0.871 1.00 0.00 O -ATOM 269 CB PRO A 18 3.035 4.190 3.187 1.00 0.00 C -ATOM 270 CG PRO A 18 4.385 4.655 3.729 1.00 0.00 C -ATOM 271 CD PRO A 18 5.393 3.949 2.823 1.00 0.00 C -ATOM 272 HA PRO A 18 2.719 3.181 1.316 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.274 4.924 3.372 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.781 3.223 3.618 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.482 5.721 3.654 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.518 4.377 4.775 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.262 4.562 2.682 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.662 2.983 3.253 1.00 0.00 H -ATOM 279 N PRO A 19 1.688 5.360 0.336 1.00 0.00 N -ATOM 280 CA PRO A 19 1.185 6.543 -0.353 1.00 0.00 C -ATOM 281 C PRO A 19 0.715 7.607 0.655 1.00 0.00 C -ATOM 282 O PRO A 19 -0.124 7.324 1.513 1.00 0.00 O -ATOM 283 CB PRO A 19 0.048 6.014 -1.229 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.519 4.852 -0.412 1.00 0.00 C -ATOM 285 CD PRO A 19 0.716 4.275 0.272 1.00 0.00 C -ATOM 286 HA PRO A 19 1.961 6.966 -0.991 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.697 6.770 -1.389 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.463 5.630 -2.162 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.232 5.201 0.310 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.019 4.114 -1.041 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.470 3.937 1.260 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.121 3.461 -0.329 1.00 0.00 H -ATOM 293 N SER A 20 1.271 8.822 0.549 1.00 0.00 N -ATOM 294 CA SER A 20 0.852 10.027 1.285 1.00 0.00 C -ATOM 295 C SER A 20 -0.406 10.657 0.683 1.00 0.00 C -ATOM 296 O SER A 20 -0.387 10.916 -0.540 1.00 0.00 O -ATOM 297 CB SER A 20 1.972 11.071 1.284 1.00 0.00 C -ATOM 298 OG SER A 20 3.120 10.541 1.911 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.341 10.903 1.473 1.00 0.00 O -ATOM 300 H SER A 20 1.969 8.961 -0.165 1.00 0.00 H -ATOM 301 HA SER A 20 0.601 9.760 2.310 1.00 0.00 H -ATOM 302 HB2 SER A 20 2.210 11.338 0.272 1.00 0.00 H -ATOM 303 HB3 SER A 20 1.636 11.959 1.824 1.00 0.00 H -ATOM 304 HG SER A 20 2.831 10.040 2.676 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 2 -ATOM 1 N ASN A 1 -6.919 6.901 0.917 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.682 6.025 -0.010 1.00 0.00 C -ATOM 3 C ASN A 1 -6.840 4.889 -0.589 1.00 0.00 C -ATOM 4 O ASN A 1 -7.106 3.741 -0.253 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.428 6.847 -1.072 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.504 7.659 -0.362 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -9.180 8.568 0.382 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -10.768 7.290 -0.468 1.00 0.00 N -ATOM 9 H1 ASN A 1 -6.513 6.358 1.667 1.00 0.00 H -ATOM 10 H2 ASN A 1 -6.191 7.398 0.422 1.00 0.00 H -ATOM 11 H3 ASN A 1 -7.553 7.592 1.308 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.451 5.523 0.581 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -7.743 7.506 -1.571 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.886 6.189 -1.811 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -11.078 6.519 -1.037 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -11.417 7.848 0.064 1.00 0.00 H -ATOM 17 N LEU A 2 -5.819 5.175 -1.412 1.00 0.00 N -ATOM 18 CA LEU A 2 -5.020 4.162 -2.130 1.00 0.00 C -ATOM 19 C LEU A 2 -4.244 3.179 -1.224 1.00 0.00 C -ATOM 20 O LEU A 2 -3.761 2.148 -1.693 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.073 4.863 -3.128 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.831 5.608 -4.250 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -5.010 7.109 -3.963 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -4.110 5.465 -5.592 1.00 0.00 C -ATOM 25 H LEU A 2 -5.631 6.133 -1.665 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.709 3.545 -2.710 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.472 5.572 -2.591 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.451 4.089 -3.583 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.820 5.160 -4.359 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -5.173 7.303 -2.907 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -4.124 7.663 -4.273 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -5.867 7.480 -4.526 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -3.114 5.904 -5.535 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -4.023 4.410 -5.855 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -4.683 5.969 -6.371 1.00 0.00 H -ATOM 36 N TYR A 3 -4.181 3.456 0.082 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.537 2.636 1.105 1.00 0.00 C -ATOM 38 C TYR A 3 -4.038 1.181 1.139 1.00 0.00 C -ATOM 39 O TYR A 3 -3.259 0.273 1.413 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.727 3.313 2.471 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.520 3.154 3.365 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.382 2.007 4.169 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.514 4.139 3.357 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.233 1.840 4.963 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.365 3.977 4.149 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.218 2.820 4.947 1.00 0.00 C -ATOM 47 OH TYR A 3 0.909 2.639 5.687 1.00 0.00 O -ATOM 48 H TYR A 3 -4.618 4.309 0.378 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.470 2.610 0.881 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.905 4.360 2.315 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.610 2.907 2.968 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.154 1.253 4.165 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.614 5.025 2.743 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.110 0.964 5.579 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.390 4.746 4.148 1.00 0.00 H -ATOM 56 HH TYR A 3 1.602 3.248 5.433 1.00 0.00 H -ATOM 57 N ILE A 4 -5.316 0.947 0.804 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.914 -0.393 0.686 1.00 0.00 C -ATOM 59 C ILE A 4 -5.157 -1.200 -0.382 1.00 0.00 C -ATOM 60 O ILE A 4 -4.755 -2.338 -0.140 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.421 -0.283 0.330 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.214 0.632 1.300 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.099 -1.670 0.270 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.489 1.191 0.662 1.00 0.00 C -ATOM 65 H ILE A 4 -5.889 1.753 0.580 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.814 -0.911 1.639 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.477 0.157 -0.667 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.484 0.062 2.168 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.616 1.489 1.603 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.421 -2.428 -0.112 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -8.432 -1.979 1.263 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.967 -1.620 -0.389 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -9.235 1.742 -0.245 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -10.180 0.385 0.416 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.973 1.875 1.360 1.00 0.00 H -ATOM 76 N GLN A 5 -4.948 -0.605 -1.564 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.253 -1.225 -2.692 1.00 0.00 C -ATOM 78 C GLN A 5 -2.763 -1.444 -2.393 1.00 0.00 C -ATOM 79 O GLN A 5 -2.186 -2.435 -2.832 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.443 -0.345 -3.944 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.608 -1.157 -5.242 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.950 -0.859 -5.909 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -6.138 0.164 -6.544 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -6.941 -1.718 -5.770 1.00 0.00 N -ATOM 85 H GLN A 5 -5.217 0.365 -1.657 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.707 -2.201 -2.864 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.320 0.258 -3.806 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.591 0.328 -4.050 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -3.816 -0.901 -5.919 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -4.525 -2.228 -5.051 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -6.847 -2.590 -5.280 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -7.781 -1.439 -6.247 1.00 0.00 H -ATOM 93 N TRP A 6 -2.145 -0.549 -1.610 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.791 -0.749 -1.090 1.00 0.00 C -ATOM 95 C TRP A 6 -0.713 -1.909 -0.084 1.00 0.00 C -ATOM 96 O TRP A 6 0.161 -2.766 -0.210 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.266 0.564 -0.501 1.00 0.00 C -ATOM 98 CG TRP A 6 1.149 0.501 -0.014 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.254 0.539 -0.795 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.637 0.388 1.358 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.382 0.433 -0.006 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.062 0.366 1.327 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.023 0.313 2.627 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.844 0.308 2.487 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.800 0.231 3.799 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.205 0.246 3.733 1.00 0.00 C -ATOM 107 H TRP A 6 -2.669 0.277 -1.341 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.144 -1.024 -1.920 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.327 1.320 -1.260 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.903 0.868 0.329 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.260 0.636 -1.868 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.347 0.425 -0.348 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.055 0.327 2.692 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.922 0.297 2.403 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.315 0.170 4.763 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.791 0.201 4.639 1.00 0.00 H -ATOM 117 N LEU A 7 -1.646 -1.992 0.877 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.701 -3.105 1.831 1.00 0.00 C -ATOM 119 C LEU A 7 -1.917 -4.465 1.152 1.00 0.00 C -ATOM 120 O LEU A 7 -1.290 -5.437 1.570 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.777 -2.856 2.905 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.370 -1.808 3.958 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.595 -1.444 4.805 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.255 -2.296 4.897 1.00 0.00 C -ATOM 125 H LEU A 7 -2.325 -1.238 0.964 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.726 -3.167 2.315 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.670 -2.517 2.417 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.988 -3.793 3.422 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.023 -0.911 3.448 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.368 -1.013 4.171 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.990 -2.337 5.292 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.314 -0.721 5.570 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.674 -2.706 5.816 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.651 -3.072 4.431 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.606 -1.459 5.148 1.00 0.00 H -ATOM 136 N LYS A 8 -2.727 -4.538 0.081 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.916 -5.759 -0.732 1.00 0.00 C -ATOM 138 C LYS A 8 -1.597 -6.366 -1.231 1.00 0.00 C -ATOM 139 O LYS A 8 -1.499 -7.582 -1.342 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.803 -5.459 -1.952 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.289 -5.218 -1.653 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.117 -6.512 -1.588 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.591 -6.248 -1.927 1.00 0.00 C -ATOM 144 NZ LYS A 8 -8.242 -5.337 -0.956 1.00 0.00 N -ATOM 145 H LYS A 8 -3.244 -3.695 -0.159 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.390 -6.527 -0.119 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.417 -4.581 -2.432 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.718 -6.282 -2.665 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.369 -4.715 -0.708 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.682 -4.593 -2.456 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.718 -7.218 -2.290 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.028 -6.959 -0.595 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.646 -5.806 -2.903 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -8.119 -7.204 -1.955 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -8.219 -5.741 -0.030 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.756 -4.452 -0.934 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -9.207 -5.176 -1.217 1.00 0.00 H -ATOM 158 N ASP A 9 -0.598 -5.528 -1.520 1.00 0.00 N -ATOM 159 CA ASP A 9 0.739 -5.926 -1.971 1.00 0.00 C -ATOM 160 C ASP A 9 1.608 -6.494 -0.823 1.00 0.00 C -ATOM 161 O ASP A 9 2.705 -7.002 -1.069 1.00 0.00 O -ATOM 162 CB ASP A 9 1.387 -4.675 -2.604 1.00 0.00 C -ATOM 163 CG ASP A 9 2.379 -4.929 -3.745 1.00 0.00 C -ATOM 164 OD1 ASP A 9 2.947 -6.037 -3.844 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.565 -3.967 -4.523 1.00 0.00 O -ATOM 166 H ASP A 9 -0.766 -4.537 -1.399 1.00 0.00 H -ATOM 167 HA ASP A 9 0.643 -6.697 -2.737 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.598 -4.057 -2.988 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.882 -4.089 -1.828 1.00 0.00 H -ATOM 170 N GLY A 10 1.186 -6.365 0.446 1.00 0.00 N -ATOM 171 CA GLY A 10 1.973 -6.740 1.632 1.00 0.00 C -ATOM 172 C GLY A 10 2.532 -5.564 2.451 1.00 0.00 C -ATOM 173 O GLY A 10 3.354 -5.783 3.347 1.00 0.00 O -ATOM 174 H GLY A 10 0.256 -5.985 0.605 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.333 -7.328 2.291 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.812 -7.373 1.342 1.00 0.00 H -ATOM 177 N GLY A 11 2.105 -4.325 2.171 1.00 0.00 N -ATOM 178 CA GLY A 11 2.505 -3.133 2.918 1.00 0.00 C -ATOM 179 C GLY A 11 4.031 -2.908 2.926 1.00 0.00 C -ATOM 180 O GLY A 11 4.638 -2.849 1.855 1.00 0.00 O -ATOM 181 H GLY A 11 1.516 -4.204 1.357 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.038 -2.263 2.459 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.123 -3.226 3.932 1.00 0.00 H -ATOM 184 N PRO A 12 4.693 -2.777 4.097 1.00 0.00 N -ATOM 185 CA PRO A 12 6.148 -2.595 4.163 1.00 0.00 C -ATOM 186 C PRO A 12 6.957 -3.724 3.506 1.00 0.00 C -ATOM 187 O PRO A 12 8.099 -3.504 3.110 1.00 0.00 O -ATOM 188 CB PRO A 12 6.499 -2.497 5.652 1.00 0.00 C -ATOM 189 CG PRO A 12 5.185 -2.111 6.326 1.00 0.00 C -ATOM 190 CD PRO A 12 4.127 -2.769 5.441 1.00 0.00 C -ATOM 191 HA PRO A 12 6.400 -1.655 3.673 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.853 -3.440 6.022 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.273 -1.749 5.829 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.140 -2.494 7.327 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.066 -1.027 6.297 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.932 -3.771 5.772 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.200 -2.199 5.491 1.00 0.00 H -ATOM 198 N SER A 13 6.381 -4.927 3.375 1.00 0.00 N -ATOM 199 CA SER A 13 7.056 -6.106 2.818 1.00 0.00 C -ATOM 200 C SER A 13 7.017 -6.159 1.275 1.00 0.00 C -ATOM 201 O SER A 13 7.448 -7.142 0.680 1.00 0.00 O -ATOM 202 CB SER A 13 6.474 -7.366 3.479 1.00 0.00 C -ATOM 203 OG SER A 13 7.471 -8.354 3.649 1.00 0.00 O -ATOM 204 H SER A 13 5.406 -5.030 3.647 1.00 0.00 H -ATOM 205 HA SER A 13 8.108 -6.044 3.095 1.00 0.00 H -ATOM 206 HB2 SER A 13 6.071 -7.105 4.439 1.00 0.00 H -ATOM 207 HB3 SER A 13 5.651 -7.761 2.885 1.00 0.00 H -ATOM 208 HG SER A 13 8.161 -8.011 4.225 1.00 0.00 H -ATOM 209 N SER A 14 6.529 -5.095 0.619 1.00 0.00 N -ATOM 210 CA SER A 14 6.302 -5.007 -0.834 1.00 0.00 C -ATOM 211 C SER A 14 7.350 -4.180 -1.591 1.00 0.00 C -ATOM 212 O SER A 14 7.202 -3.947 -2.792 1.00 0.00 O -ATOM 213 CB SER A 14 4.935 -4.369 -1.091 1.00 0.00 C -ATOM 214 OG SER A 14 3.965 -4.957 -0.265 1.00 0.00 O -ATOM 215 H SER A 14 6.105 -4.361 1.178 1.00 0.00 H -ATOM 216 HA SER A 14 6.289 -6.011 -1.260 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.989 -3.318 -0.882 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.656 -4.489 -2.138 1.00 0.00 H -ATOM 219 HG SER A 14 3.647 -5.806 -0.666 1.00 0.00 H -ATOM 220 N GLY A 15 8.373 -3.654 -0.908 1.00 0.00 N -ATOM 221 CA GLY A 15 9.445 -2.839 -1.497 1.00 0.00 C -ATOM 222 C GLY A 15 9.049 -1.393 -1.840 1.00 0.00 C -ATOM 223 O GLY A 15 9.855 -0.483 -1.659 1.00 0.00 O -ATOM 224 H GLY A 15 8.407 -3.857 0.081 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.287 -2.809 -0.807 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.786 -3.320 -2.417 1.00 0.00 H -ATOM 227 N ARG A 16 7.819 -1.163 -2.323 1.00 0.00 N -ATOM 228 CA ARG A 16 7.267 0.167 -2.623 1.00 0.00 C -ATOM 229 C ARG A 16 6.861 0.912 -1.332 1.00 0.00 C -ATOM 230 O ARG A 16 6.127 0.334 -0.526 1.00 0.00 O -ATOM 231 CB ARG A 16 6.068 -0.003 -3.571 1.00 0.00 C -ATOM 232 CG ARG A 16 5.414 1.333 -3.977 1.00 0.00 C -ATOM 233 CD ARG A 16 4.325 1.183 -5.049 1.00 0.00 C -ATOM 234 NE ARG A 16 3.153 0.425 -4.574 1.00 0.00 N -ATOM 235 CZ ARG A 16 2.950 -0.885 -4.652 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.781 -1.719 -5.224 1.00 0.00 N -ATOM 237 NH2 ARG A 16 1.882 -1.432 -4.137 1.00 0.00 N -ATOM 238 H ARG A 16 7.253 -1.991 -2.486 1.00 0.00 H -ATOM 239 HA ARG A 16 8.044 0.730 -3.139 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.405 -0.501 -4.460 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.323 -0.632 -3.081 1.00 0.00 H -ATOM 242 HG2 ARG A 16 4.972 1.774 -3.104 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.184 1.994 -4.374 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.002 2.161 -5.348 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.750 0.718 -5.940 1.00 0.00 H -ATOM 246 HE ARG A 16 2.420 0.960 -4.143 1.00 0.00 H -ATOM 247 HH11 ARG A 16 4.628 -1.423 -5.666 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.523 -2.718 -5.142 1.00 0.00 H -ATOM 249 HH21 ARG A 16 1.142 -0.941 -3.681 1.00 0.00 H -ATOM 250 HH22 ARG A 16 1.880 -2.460 -4.219 1.00 0.00 H -ATOM 251 N PRO A 17 7.251 2.191 -1.139 1.00 0.00 N -ATOM 252 CA PRO A 17 6.871 2.981 0.038 1.00 0.00 C -ATOM 253 C PRO A 17 5.351 3.255 0.119 1.00 0.00 C -ATOM 254 O PRO A 17 4.652 3.132 -0.890 1.00 0.00 O -ATOM 255 CB PRO A 17 7.673 4.286 -0.077 1.00 0.00 C -ATOM 256 CG PRO A 17 7.906 4.435 -1.577 1.00 0.00 C -ATOM 257 CD PRO A 17 8.086 2.989 -2.028 1.00 0.00 C -ATOM 258 HA PRO A 17 7.180 2.447 0.936 1.00 0.00 H -ATOM 259 HB2 PRO A 17 7.111 5.116 0.307 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.633 4.169 0.430 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.061 4.889 -2.058 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.783 5.042 -1.795 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.767 2.872 -3.046 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.129 2.692 -1.905 1.00 0.00 H -ATOM 265 N PRO A 18 4.829 3.643 1.300 1.00 0.00 N -ATOM 266 CA PRO A 18 3.403 3.904 1.495 1.00 0.00 C -ATOM 267 C PRO A 18 2.923 5.149 0.722 1.00 0.00 C -ATOM 268 O PRO A 18 3.644 6.147 0.672 1.00 0.00 O -ATOM 269 CB PRO A 18 3.222 4.081 3.006 1.00 0.00 C -ATOM 270 CG PRO A 18 4.595 4.541 3.490 1.00 0.00 C -ATOM 271 CD PRO A 18 5.551 3.810 2.554 1.00 0.00 C -ATOM 272 HA PRO A 18 2.843 3.030 1.174 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.475 4.822 3.217 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.979 3.120 3.459 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.701 5.605 3.396 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.768 4.278 4.535 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.440 4.391 2.399 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.790 2.828 2.968 1.00 0.00 H -ATOM 279 N PRO A 19 1.700 5.129 0.152 1.00 0.00 N -ATOM 280 CA PRO A 19 1.125 6.268 -0.557 1.00 0.00 C -ATOM 281 C PRO A 19 0.575 7.306 0.435 1.00 0.00 C -ATOM 282 O PRO A 19 -0.344 7.009 1.205 1.00 0.00 O -ATOM 283 CB PRO A 19 0.028 5.669 -1.440 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.475 4.478 -0.625 1.00 0.00 C -ATOM 285 CD PRO A 19 0.782 3.998 0.106 1.00 0.00 C -ATOM 286 HA PRO A 19 1.879 6.738 -1.190 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.759 6.379 -1.608 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.474 5.307 -2.369 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.233 4.781 0.071 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.891 3.701 -1.265 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.533 3.683 1.101 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.245 3.191 -0.461 1.00 0.00 H -ATOM 293 N SER A 20 1.145 8.513 0.410 1.00 0.00 N -ATOM 294 CA SER A 20 0.696 9.699 1.148 1.00 0.00 C -ATOM 295 C SER A 20 -0.231 10.590 0.317 1.00 0.00 C -ATOM 296 O SER A 20 -1.174 11.122 0.943 1.00 0.00 O -ATOM 297 CB SER A 20 1.911 10.475 1.671 1.00 0.00 C -ATOM 298 OG SER A 20 2.908 10.615 0.673 1.00 0.00 O -ATOM 299 OXT SER A 20 -0.010 10.716 -0.908 1.00 0.00 O -ATOM 300 H SER A 20 1.907 8.704 -0.228 1.00 0.00 H -ATOM 301 HA SER A 20 0.105 9.384 2.006 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.593 11.450 1.985 1.00 0.00 H -ATOM 303 HB3 SER A 20 2.334 9.927 2.515 1.00 0.00 H -ATOM 304 HG SER A 20 3.569 11.243 0.968 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 3 -ATOM 1 N ASN A 1 -6.589 7.754 -0.571 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.389 6.514 -0.405 1.00 0.00 C -ATOM 3 C ASN A 1 -6.780 5.255 -1.052 1.00 0.00 C -ATOM 4 O ASN A 1 -7.487 4.266 -1.200 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.845 6.767 -0.857 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.521 7.797 0.047 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -8.922 8.257 1.009 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -10.737 8.213 -0.242 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.686 7.665 -0.127 1.00 0.00 H -ATOM 10 H2 ASN A 1 -6.476 7.977 -1.550 1.00 0.00 H -ATOM 11 H3 ASN A 1 -7.086 8.512 -0.117 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.439 6.298 0.664 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.842 7.132 -1.866 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -9.424 5.843 -0.797 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -11.261 7.891 -1.039 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -11.125 8.874 0.414 1.00 0.00 H -ATOM 17 N LEU A 2 -5.480 5.231 -1.392 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.832 4.056 -2.001 1.00 0.00 C -ATOM 19 C LEU A 2 -4.184 3.091 -0.988 1.00 0.00 C -ATOM 20 O LEU A 2 -3.640 2.061 -1.389 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.822 4.536 -3.062 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.511 4.943 -4.385 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.400 6.448 -4.640 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -3.900 4.181 -5.563 1.00 0.00 C -ATOM 25 H LEU A 2 -4.873 6.022 -1.250 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.585 3.455 -2.516 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.291 5.384 -2.674 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.120 3.726 -3.266 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.571 4.692 -4.345 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -4.890 6.998 -3.839 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.352 6.744 -4.701 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.890 6.694 -5.582 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.824 4.351 -5.605 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -4.093 3.114 -5.443 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -4.353 4.513 -6.498 1.00 0.00 H -ATOM 36 N TYR A 3 -4.252 3.387 0.316 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.584 2.609 1.367 1.00 0.00 C -ATOM 38 C TYR A 3 -4.003 1.131 1.375 1.00 0.00 C -ATOM 39 O TYR A 3 -3.167 0.257 1.584 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.828 3.261 2.737 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.625 3.147 3.649 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.431 2.000 4.441 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.668 4.180 3.663 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.274 1.880 5.234 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.512 4.070 4.456 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.306 2.910 5.235 1.00 0.00 C -ATOM 47 OH TYR A 3 0.828 2.769 5.969 1.00 0.00 O -ATOM 48 H TYR A 3 -4.725 4.233 0.586 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.512 2.640 1.167 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.053 4.300 2.590 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.698 2.806 3.217 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.165 1.208 4.426 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.819 5.061 3.058 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.103 1.003 5.839 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.213 4.873 4.463 1.00 0.00 H -ATOM 56 HH TYR A 3 1.448 3.481 5.798 1.00 0.00 H -ATOM 57 N ILE A 4 -5.279 0.849 1.085 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.832 -0.507 0.951 1.00 0.00 C -ATOM 59 C ILE A 4 -5.162 -1.250 -0.218 1.00 0.00 C -ATOM 60 O ILE A 4 -4.774 -2.406 -0.080 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.364 -0.433 0.749 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.090 0.338 1.884 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.975 -1.842 0.631 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.163 1.282 1.326 1.00 0.00 C -ATOM 65 H ILE A 4 -5.896 1.633 0.934 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.625 -1.065 1.865 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.545 0.087 -0.194 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.556 -0.369 2.543 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.392 0.938 2.466 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.611 -2.347 -0.263 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.710 -2.438 1.506 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.061 -1.773 0.565 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -8.695 2.037 0.690 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.891 0.720 0.741 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.673 1.781 2.148 1.00 0.00 H -ATOM 76 N GLN A 5 -5.009 -0.575 -1.365 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.335 -1.103 -2.553 1.00 0.00 C -ATOM 78 C GLN A 5 -2.863 -1.419 -2.249 1.00 0.00 C -ATOM 79 O GLN A 5 -2.395 -2.511 -2.553 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.497 -0.107 -3.724 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.929 -0.785 -5.036 1.00 0.00 C -ATOM 82 CD GLN A 5 -3.943 -1.843 -5.517 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.193 -3.032 -5.373 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -2.824 -1.457 -6.094 1.00 0.00 N -ATOM 85 H GLN A 5 -5.260 0.403 -1.368 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.818 -2.043 -2.816 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.239 0.620 -3.454 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.566 0.435 -3.888 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.882 -1.252 -4.881 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.049 -0.026 -5.809 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -2.586 -0.491 -6.238 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -2.170 -2.206 -6.277 1.00 0.00 H -ATOM 93 N TRP A 6 -2.154 -0.497 -1.588 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.771 -0.717 -1.152 1.00 0.00 C -ATOM 95 C TRP A 6 -0.632 -1.844 -0.111 1.00 0.00 C -ATOM 96 O TRP A 6 0.256 -2.687 -0.229 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.212 0.604 -0.620 1.00 0.00 C -ATOM 98 CG TRP A 6 1.197 0.514 -0.129 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.296 0.452 -0.915 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.679 0.425 1.247 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.420 0.332 -0.121 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.101 0.324 1.215 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.066 0.422 2.519 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.882 0.249 2.375 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.839 0.334 3.694 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.243 0.260 3.625 1.00 0.00 C -ATOM 107 H TRP A 6 -2.607 0.391 -1.386 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.178 -1.016 -2.020 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.248 1.329 -1.411 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.841 0.958 0.197 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.289 0.483 -1.998 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.387 0.296 -0.451 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.010 0.498 2.586 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.957 0.179 2.290 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.352 0.341 4.659 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.829 0.212 4.531 1.00 0.00 H -ATOM 117 N LEU A 7 -1.520 -1.904 0.893 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.537 -3.007 1.858 1.00 0.00 C -ATOM 119 C LEU A 7 -1.844 -4.359 1.198 1.00 0.00 C -ATOM 120 O LEU A 7 -1.228 -5.350 1.586 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.520 -2.723 3.008 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.010 -1.728 4.070 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.122 -1.497 5.096 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.775 -2.236 4.826 1.00 0.00 C -ATOM 125 H LEU A 7 -2.201 -1.155 0.992 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.534 -3.107 2.271 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.422 -2.325 2.584 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.740 -3.665 3.514 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.763 -0.780 3.597 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.006 -1.098 4.599 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.380 -2.437 5.585 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.791 -0.787 5.854 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -0.973 -3.222 5.249 1.00 0.00 H -ATOM 134 HD22 LEU A 7 0.080 -2.296 4.155 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.521 -1.546 5.630 1.00 0.00 H -ATOM 136 N LYS A 8 -2.716 -4.413 0.176 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.930 -5.631 -0.629 1.00 0.00 C -ATOM 138 C LYS A 8 -1.639 -6.169 -1.261 1.00 0.00 C -ATOM 139 O LYS A 8 -1.492 -7.384 -1.349 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.989 -5.413 -1.725 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.424 -5.638 -1.230 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.411 -5.713 -2.404 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.685 -4.341 -3.038 1.00 0.00 C -ATOM 144 NZ LYS A 8 -6.352 -4.311 -4.482 1.00 0.00 N -ATOM 145 H LYS A 8 -3.241 -3.572 -0.051 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.274 -6.422 0.036 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.906 -4.405 -2.084 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.797 -6.130 -2.525 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.464 -6.558 -0.680 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.719 -4.846 -0.542 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.003 -6.362 -3.154 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -7.356 -6.108 -2.033 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.726 -4.108 -2.919 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.117 -3.577 -2.500 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -5.352 -4.135 -4.636 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -6.602 -5.176 -4.938 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -6.827 -3.549 -4.942 1.00 0.00 H -ATOM 158 N ASP A 9 -0.694 -5.301 -1.644 1.00 0.00 N -ATOM 159 CA ASP A 9 0.627 -5.715 -2.141 1.00 0.00 C -ATOM 160 C ASP A 9 1.545 -6.280 -1.027 1.00 0.00 C -ATOM 161 O ASP A 9 2.653 -6.733 -1.322 1.00 0.00 O -ATOM 162 CB ASP A 9 1.362 -4.545 -2.833 1.00 0.00 C -ATOM 163 CG ASP A 9 0.631 -3.826 -3.974 1.00 0.00 C -ATOM 164 OD1 ASP A 9 -0.157 -4.486 -4.688 1.00 0.00 O -ATOM 165 OD2 ASP A 9 0.959 -2.631 -4.185 1.00 0.00 O -ATOM 166 H ASP A 9 -0.905 -4.313 -1.586 1.00 0.00 H -ATOM 167 HA ASP A 9 0.482 -6.505 -2.880 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.582 -3.813 -2.080 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.279 -4.946 -3.266 1.00 0.00 H -ATOM 170 N GLY A 10 1.135 -6.232 0.250 1.00 0.00 N -ATOM 171 CA GLY A 10 1.917 -6.656 1.417 1.00 0.00 C -ATOM 172 C GLY A 10 2.414 -5.500 2.294 1.00 0.00 C -ATOM 173 O GLY A 10 3.054 -5.736 3.320 1.00 0.00 O -ATOM 174 H GLY A 10 0.200 -5.879 0.438 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.298 -7.304 2.035 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.784 -7.233 1.096 1.00 0.00 H -ATOM 177 N GLY A 11 2.142 -4.244 1.916 1.00 0.00 N -ATOM 178 CA GLY A 11 2.643 -3.083 2.643 1.00 0.00 C -ATOM 179 C GLY A 11 4.182 -3.056 2.660 1.00 0.00 C -ATOM 180 O GLY A 11 4.791 -3.197 1.594 1.00 0.00 O -ATOM 181 H GLY A 11 1.623 -4.089 1.059 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.286 -2.178 2.156 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.244 -3.115 3.654 1.00 0.00 H -ATOM 184 N PRO A 12 4.842 -2.900 3.832 1.00 0.00 N -ATOM 185 CA PRO A 12 6.302 -2.829 3.917 1.00 0.00 C -ATOM 186 C PRO A 12 7.030 -4.020 3.276 1.00 0.00 C -ATOM 187 O PRO A 12 8.132 -3.843 2.757 1.00 0.00 O -ATOM 188 CB PRO A 12 6.642 -2.717 5.411 1.00 0.00 C -ATOM 189 CG PRO A 12 5.352 -2.223 6.059 1.00 0.00 C -ATOM 190 CD PRO A 12 4.260 -2.809 5.166 1.00 0.00 C -ATOM 191 HA PRO A 12 6.628 -1.916 3.416 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.925 -3.673 5.809 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.463 -2.016 5.581 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.263 -2.588 7.064 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.314 -1.133 6.017 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.974 -3.782 5.516 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.381 -2.165 5.191 1.00 0.00 H -ATOM 198 N SER A 13 6.424 -5.220 3.257 1.00 0.00 N -ATOM 199 CA SER A 13 7.055 -6.413 2.675 1.00 0.00 C -ATOM 200 C SER A 13 7.230 -6.327 1.155 1.00 0.00 C -ATOM 201 O SER A 13 8.109 -6.992 0.615 1.00 0.00 O -ATOM 202 CB SER A 13 6.276 -7.683 3.042 1.00 0.00 C -ATOM 203 OG SER A 13 5.083 -7.810 2.296 1.00 0.00 O -ATOM 204 H SER A 13 5.479 -5.307 3.613 1.00 0.00 H -ATOM 205 HA SER A 13 8.051 -6.506 3.109 1.00 0.00 H -ATOM 206 HB2 SER A 13 6.897 -8.537 2.850 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.031 -7.660 4.105 1.00 0.00 H -ATOM 208 HG SER A 13 5.284 -8.181 1.431 1.00 0.00 H -ATOM 209 N SER A 14 6.424 -5.506 0.464 1.00 0.00 N -ATOM 210 CA SER A 14 6.562 -5.254 -0.977 1.00 0.00 C -ATOM 211 C SER A 14 7.683 -4.260 -1.316 1.00 0.00 C -ATOM 212 O SER A 14 7.958 -4.028 -2.492 1.00 0.00 O -ATOM 213 CB SER A 14 5.232 -4.754 -1.561 1.00 0.00 C -ATOM 214 OG SER A 14 4.689 -5.759 -2.390 1.00 0.00 O -ATOM 215 H SER A 14 5.730 -4.974 0.980 1.00 0.00 H -ATOM 216 HA SER A 14 6.816 -6.193 -1.471 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.548 -4.536 -0.764 1.00 0.00 H -ATOM 218 HB3 SER A 14 5.400 -3.866 -2.170 1.00 0.00 H -ATOM 219 HG SER A 14 3.898 -6.171 -1.941 1.00 0.00 H -ATOM 220 N GLY A 15 8.320 -3.632 -0.318 1.00 0.00 N -ATOM 221 CA GLY A 15 9.452 -2.715 -0.493 1.00 0.00 C -ATOM 222 C GLY A 15 9.088 -1.324 -1.031 1.00 0.00 C -ATOM 223 O GLY A 15 9.745 -0.349 -0.674 1.00 0.00 O -ATOM 224 H GLY A 15 8.043 -3.844 0.636 1.00 0.00 H -ATOM 225 HA2 GLY A 15 9.948 -2.591 0.468 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.165 -3.167 -1.183 1.00 0.00 H -ATOM 227 N ARG A 16 8.043 -1.206 -1.866 1.00 0.00 N -ATOM 228 CA ARG A 16 7.509 0.078 -2.349 1.00 0.00 C -ATOM 229 C ARG A 16 6.942 0.905 -1.177 1.00 0.00 C -ATOM 230 O ARG A 16 6.183 0.348 -0.380 1.00 0.00 O -ATOM 231 CB ARG A 16 6.426 -0.188 -3.413 1.00 0.00 C -ATOM 232 CG ARG A 16 5.953 1.107 -4.102 1.00 0.00 C -ATOM 233 CD ARG A 16 4.797 0.884 -5.083 1.00 0.00 C -ATOM 234 NE ARG A 16 5.176 -0.019 -6.186 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.649 -1.200 -6.493 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.626 -1.720 -5.848 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.165 -1.891 -7.482 1.00 0.00 N -ATOM 238 H ARG A 16 7.615 -2.078 -2.159 1.00 0.00 H -ATOM 239 HA ARG A 16 8.337 0.615 -2.807 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.828 -0.848 -4.157 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.573 -0.680 -2.944 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.630 1.797 -3.346 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.793 1.555 -4.637 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.970 0.454 -4.552 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.515 1.851 -5.503 1.00 0.00 H -ATOM 246 HE ARG A 16 5.943 0.289 -6.761 1.00 0.00 H -ATOM 247 HH11 ARG A 16 3.180 -1.223 -5.093 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.231 -2.612 -6.088 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.951 -1.541 -8.001 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.778 -2.789 -7.706 1.00 0.00 H -ATOM 251 N PRO A 17 7.224 2.222 -1.082 1.00 0.00 N -ATOM 252 CA PRO A 17 6.670 3.081 -0.030 1.00 0.00 C -ATOM 253 C PRO A 17 5.138 3.240 -0.131 1.00 0.00 C -ATOM 254 O PRO A 17 4.571 3.021 -1.206 1.00 0.00 O -ATOM 255 CB PRO A 17 7.384 4.430 -0.195 1.00 0.00 C -ATOM 256 CG PRO A 17 7.755 4.460 -1.675 1.00 0.00 C -ATOM 257 CD PRO A 17 8.084 2.998 -1.964 1.00 0.00 C -ATOM 258 HA PRO A 17 6.923 2.656 0.942 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.729 5.243 0.053 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.293 4.437 0.408 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.932 4.798 -2.274 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.607 5.114 -1.870 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.877 2.763 -2.990 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.127 2.798 -1.720 1.00 0.00 H -ATOM 265 N PRO A 18 4.461 3.639 0.965 1.00 0.00 N -ATOM 266 CA PRO A 18 3.015 3.863 0.981 1.00 0.00 C -ATOM 267 C PRO A 18 2.598 5.121 0.193 1.00 0.00 C -ATOM 268 O PRO A 18 3.428 5.993 -0.068 1.00 0.00 O -ATOM 269 CB PRO A 18 2.645 3.981 2.465 1.00 0.00 C -ATOM 270 CG PRO A 18 3.916 4.525 3.112 1.00 0.00 C -ATOM 271 CD PRO A 18 5.026 3.878 2.287 1.00 0.00 C -ATOM 272 HA PRO A 18 2.518 2.995 0.551 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.825 4.659 2.602 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.430 2.993 2.869 1.00 0.00 H -ATOM 275 HG2 PRO A 18 3.957 5.595 3.042 1.00 0.00 H -ATOM 276 HG3 PRO A 18 3.983 4.249 4.165 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.870 4.536 2.218 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.309 2.925 2.736 1.00 0.00 H -ATOM 279 N PRO A 19 1.304 5.247 -0.167 1.00 0.00 N -ATOM 280 CA PRO A 19 0.774 6.401 -0.902 1.00 0.00 C -ATOM 281 C PRO A 19 0.569 7.659 -0.043 1.00 0.00 C -ATOM 282 O PRO A 19 0.515 8.755 -0.597 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.568 5.927 -1.467 1.00 0.00 C -ATOM 284 CG PRO A 19 -1.027 4.877 -0.459 1.00 0.00 C -ATOM 285 CD PRO A 19 0.279 4.224 -0.018 1.00 0.00 C -ATOM 286 HA PRO A 19 1.443 6.655 -1.727 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.269 6.738 -1.523 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.411 5.458 -2.438 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.528 5.334 0.372 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.691 4.148 -0.918 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.212 3.908 1.005 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.512 3.395 -0.684 1.00 0.00 H -ATOM 293 N SER A 20 0.445 7.509 1.283 1.00 0.00 N -ATOM 294 CA SER A 20 0.349 8.586 2.279 1.00 0.00 C -ATOM 295 C SER A 20 1.387 8.402 3.380 1.00 0.00 C -ATOM 296 O SER A 20 1.887 9.446 3.847 1.00 0.00 O -ATOM 297 CB SER A 20 -1.064 8.699 2.867 1.00 0.00 C -ATOM 298 OG SER A 20 -1.468 7.515 3.527 1.00 0.00 O -ATOM 299 OXT SER A 20 1.609 7.229 3.761 1.00 0.00 O -ATOM 300 H SER A 20 0.533 6.584 1.677 1.00 0.00 H -ATOM 301 HA SER A 20 0.581 9.535 1.797 1.00 0.00 H -ATOM 302 HB2 SER A 20 -1.081 9.509 3.570 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.771 8.923 2.068 1.00 0.00 H -ATOM 304 HG SER A 20 -0.877 7.386 4.279 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 4 -ATOM 1 N ASN A 1 -7.996 5.298 -0.779 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.990 4.067 -1.611 1.00 0.00 C -ATOM 3 C ASN A 1 -6.595 3.515 -1.890 1.00 0.00 C -ATOM 4 O ASN A 1 -6.409 2.326 -1.667 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.817 4.236 -2.891 1.00 0.00 C -ATOM 6 CG ASN A 1 -10.260 4.485 -2.482 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -10.595 5.590 -2.090 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -11.097 3.465 -2.420 1.00 0.00 N -ATOM 9 H1 ASN A 1 -7.499 5.145 0.089 1.00 0.00 H -ATOM 10 H2 ASN A 1 -7.580 6.071 -1.279 1.00 0.00 H -ATOM 11 H3 ASN A 1 -8.957 5.549 -0.571 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.483 3.285 -1.032 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.449 5.070 -3.456 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.756 3.334 -3.502 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -10.855 2.524 -2.688 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -12.028 3.700 -2.110 1.00 0.00 H -ATOM 17 N LEU A 2 -5.616 4.322 -2.330 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.255 3.853 -2.649 1.00 0.00 C -ATOM 19 C LEU A 2 -3.609 2.984 -1.550 1.00 0.00 C -ATOM 20 O LEU A 2 -2.969 1.976 -1.846 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.364 5.074 -2.976 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.035 5.287 -4.464 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -2.298 4.086 -5.067 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -4.283 5.609 -5.288 1.00 0.00 C -ATOM 25 H LEU A 2 -5.808 5.284 -2.567 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.324 3.212 -3.525 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.868 5.953 -2.622 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.413 4.965 -2.461 1.00 0.00 H -ATOM 29 HG LEU A 2 -2.366 6.146 -4.524 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -1.513 3.750 -4.388 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.985 3.262 -5.255 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -1.840 4.380 -6.010 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -4.988 4.779 -5.260 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -4.758 6.509 -4.897 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -3.993 5.793 -6.323 1.00 0.00 H -ATOM 36 N TYR A 3 -3.829 3.342 -0.280 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.352 2.587 0.881 1.00 0.00 C -ATOM 38 C TYR A 3 -3.885 1.142 0.933 1.00 0.00 C -ATOM 39 O TYR A 3 -3.182 0.255 1.410 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.714 3.350 2.166 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.571 3.426 3.153 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.238 2.307 3.939 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.826 4.614 3.277 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.172 2.377 4.854 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.758 4.692 4.190 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.434 3.573 4.988 1.00 0.00 C -ATOM 47 OH TYR A 3 0.564 3.651 5.909 1.00 0.00 O -ATOM 48 H TYR A 3 -4.312 4.211 -0.115 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.266 2.531 0.815 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.003 4.349 1.900 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.571 2.877 2.649 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -2.810 1.398 3.838 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -2.070 5.479 2.676 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -0.916 1.531 5.472 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.198 5.613 4.266 1.00 0.00 H -ATOM 56 HH TYR A 3 0.792 4.562 6.104 1.00 0.00 H -ATOM 57 N ILE A 4 -5.099 0.891 0.414 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.705 -0.444 0.348 1.00 0.00 C -ATOM 59 C ILE A 4 -4.882 -1.332 -0.589 1.00 0.00 C -ATOM 60 O ILE A 4 -4.466 -2.411 -0.181 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.191 -0.380 -0.086 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.038 0.622 0.737 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.836 -1.778 -0.048 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.051 0.390 2.254 1.00 0.00 C -ATOM 65 H ILE A 4 -5.574 1.642 -0.074 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.657 -0.892 1.341 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.230 -0.049 -1.125 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -7.652 1.607 0.557 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -9.066 0.590 0.375 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.351 -2.438 -0.767 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.744 -2.214 0.948 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.891 -1.708 -0.312 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -8.463 -0.592 2.485 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -7.043 0.470 2.659 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.674 1.150 2.725 1.00 0.00 H -ATOM 76 N GLN A 5 -4.600 -0.857 -1.811 1.00 0.00 N -ATOM 77 CA GLN A 5 -3.712 -1.519 -2.775 1.00 0.00 C -ATOM 78 C GLN A 5 -2.314 -1.759 -2.183 1.00 0.00 C -ATOM 79 O GLN A 5 -1.803 -2.878 -2.255 1.00 0.00 O -ATOM 80 CB GLN A 5 -3.634 -0.674 -4.062 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.792 -0.953 -5.031 1.00 0.00 C -ATOM 82 CD GLN A 5 -4.542 -2.214 -5.853 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.848 -3.320 -5.436 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -3.968 -2.093 -7.036 1.00 0.00 N -ATOM 85 H GLN A 5 -4.948 0.063 -2.038 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.122 -2.500 -3.019 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -3.656 0.364 -3.792 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -2.694 -0.880 -4.579 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.696 -1.078 -4.467 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -4.898 -0.106 -5.710 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -3.693 -1.205 -7.419 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -3.810 -2.965 -7.512 1.00 0.00 H -ATOM 93 N TRP A 6 -1.713 -0.734 -1.561 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.400 -0.841 -0.917 1.00 0.00 C -ATOM 95 C TRP A 6 -0.353 -1.931 0.171 1.00 0.00 C -ATOM 96 O TRP A 6 0.567 -2.757 0.175 1.00 0.00 O -ATOM 97 CB TRP A 6 0.005 0.531 -0.361 1.00 0.00 C -ATOM 98 CG TRP A 6 1.372 0.565 0.247 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.532 0.625 -0.442 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.747 0.483 1.657 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.594 0.565 0.438 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.169 0.480 1.743 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.032 0.393 2.872 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.853 0.395 2.965 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.707 0.293 4.104 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.112 0.296 4.154 1.00 0.00 C -ATOM 107 H TRP A 6 -2.186 0.167 -1.566 1.00 0.00 H -ATOM 108 HA TRP A 6 0.329 -1.126 -1.676 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.024 1.242 -1.164 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.716 0.838 0.395 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.616 0.684 -1.518 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.579 0.565 0.164 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.046 0.398 2.841 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.933 0.389 2.975 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.142 0.218 5.022 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.621 0.223 5.106 1.00 0.00 H -ATOM 117 N LEU A 7 -1.360 -1.961 1.060 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.529 -3.019 2.059 1.00 0.00 C -ATOM 119 C LEU A 7 -1.819 -4.386 1.425 1.00 0.00 C -ATOM 120 O LEU A 7 -1.263 -5.376 1.896 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.645 -2.652 3.058 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.265 -1.546 4.060 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.504 -1.129 4.860 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.186 -1.989 5.054 1.00 0.00 C -ATOM 125 H LEU A 7 -2.062 -1.224 1.020 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.594 -3.131 2.603 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.499 -2.320 2.500 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.915 -3.543 3.627 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.898 -0.680 3.518 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.273 -0.762 4.181 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.892 -1.977 5.422 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.243 -0.331 5.557 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.516 -2.875 5.597 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.258 -2.212 4.531 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.990 -1.188 5.767 1.00 0.00 H -ATOM 136 N LYS A 8 -2.636 -4.457 0.360 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.000 -5.710 -0.323 1.00 0.00 C -ATOM 138 C LYS A 8 -1.774 -6.506 -0.772 1.00 0.00 C -ATOM 139 O LYS A 8 -1.764 -7.728 -0.650 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.907 -5.437 -1.541 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.842 -6.624 -1.830 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.265 -6.337 -1.328 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.114 -7.612 -1.287 1.00 0.00 C -ATOM 144 NZ LYS A 8 -6.875 -8.381 -0.042 1.00 0.00 N -ATOM 145 H LYS A 8 -3.089 -3.595 0.056 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.534 -6.330 0.396 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.501 -4.566 -1.344 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.287 -5.248 -2.418 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.871 -6.798 -2.888 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -4.454 -7.529 -1.364 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.209 -5.923 -0.340 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.730 -5.625 -2.013 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -8.151 -7.343 -1.337 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.877 -8.220 -2.164 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -5.889 -8.591 0.053 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.168 -7.840 0.762 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -7.394 -9.248 -0.055 1.00 0.00 H -ATOM 158 N ASP A 9 -0.756 -5.802 -1.272 1.00 0.00 N -ATOM 159 CA ASP A 9 0.519 -6.369 -1.719 1.00 0.00 C -ATOM 160 C ASP A 9 1.466 -6.750 -0.552 1.00 0.00 C -ATOM 161 O ASP A 9 2.432 -7.481 -0.764 1.00 0.00 O -ATOM 162 CB ASP A 9 1.147 -5.356 -2.691 1.00 0.00 C -ATOM 163 CG ASP A 9 2.157 -5.999 -3.643 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.687 -6.708 -4.559 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.367 -5.733 -3.478 1.00 0.00 O -ATOM 166 H ASP A 9 -0.906 -4.806 -1.394 1.00 0.00 H -ATOM 167 HA ASP A 9 0.309 -7.281 -2.280 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.365 -4.908 -3.272 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.602 -4.539 -2.136 1.00 0.00 H -ATOM 170 N GLY A 10 1.166 -6.322 0.686 1.00 0.00 N -ATOM 171 CA GLY A 10 1.940 -6.628 1.899 1.00 0.00 C -ATOM 172 C GLY A 10 2.455 -5.411 2.687 1.00 0.00 C -ATOM 173 O GLY A 10 3.258 -5.576 3.605 1.00 0.00 O -ATOM 174 H GLY A 10 0.283 -5.838 0.808 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.308 -7.208 2.569 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.799 -7.243 1.641 1.00 0.00 H -ATOM 177 N GLY A 11 2.025 -4.190 2.349 1.00 0.00 N -ATOM 178 CA GLY A 11 2.501 -2.933 2.929 1.00 0.00 C -ATOM 179 C GLY A 11 4.035 -2.809 2.947 1.00 0.00 C -ATOM 180 O GLY A 11 4.636 -2.640 1.883 1.00 0.00 O -ATOM 181 H GLY A 11 1.426 -4.116 1.535 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.113 -2.118 2.323 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.088 -2.828 3.930 1.00 0.00 H -ATOM 184 N PRO A 12 4.714 -2.887 4.112 1.00 0.00 N -ATOM 185 CA PRO A 12 6.177 -2.830 4.177 1.00 0.00 C -ATOM 186 C PRO A 12 6.894 -3.885 3.322 1.00 0.00 C -ATOM 187 O PRO A 12 8.009 -3.632 2.870 1.00 0.00 O -ATOM 188 CB PRO A 12 6.543 -2.996 5.656 1.00 0.00 C -ATOM 189 CG PRO A 12 5.275 -2.581 6.397 1.00 0.00 C -ATOM 190 CD PRO A 12 4.158 -3.015 5.451 1.00 0.00 C -ATOM 191 HA PRO A 12 6.493 -1.842 3.843 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.796 -4.015 5.874 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.390 -2.365 5.930 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.198 -3.086 7.340 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.255 -1.495 6.510 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.876 -4.032 5.645 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.286 -2.377 5.597 1.00 0.00 H -ATOM 198 N SER A 13 6.272 -5.048 3.067 1.00 0.00 N -ATOM 199 CA SER A 13 6.859 -6.106 2.234 1.00 0.00 C -ATOM 200 C SER A 13 6.522 -5.983 0.737 1.00 0.00 C -ATOM 201 O SER A 13 6.868 -6.883 -0.022 1.00 0.00 O -ATOM 202 CB SER A 13 6.517 -7.490 2.809 1.00 0.00 C -ATOM 203 OG SER A 13 5.152 -7.809 2.665 1.00 0.00 O -ATOM 204 H SER A 13 5.336 -5.211 3.432 1.00 0.00 H -ATOM 205 HA SER A 13 7.945 -6.021 2.301 1.00 0.00 H -ATOM 206 HB2 SER A 13 7.100 -8.230 2.296 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.776 -7.504 3.869 1.00 0.00 H -ATOM 208 HG SER A 13 4.960 -7.945 1.731 1.00 0.00 H -ATOM 209 N SER A 14 5.879 -4.888 0.300 1.00 0.00 N -ATOM 210 CA SER A 14 5.483 -4.641 -1.100 1.00 0.00 C -ATOM 211 C SER A 14 6.594 -4.035 -1.979 1.00 0.00 C -ATOM 212 O SER A 14 6.388 -3.818 -3.171 1.00 0.00 O -ATOM 213 CB SER A 14 4.291 -3.674 -1.143 1.00 0.00 C -ATOM 214 OG SER A 14 3.244 -4.095 -0.294 1.00 0.00 O -ATOM 215 H SER A 14 5.551 -4.209 0.982 1.00 0.00 H -ATOM 216 HA SER A 14 5.168 -5.582 -1.554 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.621 -2.702 -0.832 1.00 0.00 H -ATOM 218 HB3 SER A 14 3.920 -3.612 -2.167 1.00 0.00 H -ATOM 219 HG SER A 14 2.497 -3.486 -0.373 1.00 0.00 H -ATOM 220 N GLY A 15 7.760 -3.685 -1.413 1.00 0.00 N -ATOM 221 CA GLY A 15 8.865 -3.074 -2.168 1.00 0.00 C -ATOM 222 C GLY A 15 8.636 -1.615 -2.597 1.00 0.00 C -ATOM 223 O GLY A 15 9.329 -1.131 -3.490 1.00 0.00 O -ATOM 224 H GLY A 15 7.882 -3.900 -0.435 1.00 0.00 H -ATOM 225 HA2 GLY A 15 9.772 -3.108 -1.566 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.044 -3.662 -3.070 1.00 0.00 H -ATOM 227 N ARG A 16 7.674 -0.910 -1.982 1.00 0.00 N -ATOM 228 CA ARG A 16 7.291 0.476 -2.303 1.00 0.00 C -ATOM 229 C ARG A 16 6.926 1.243 -1.019 1.00 0.00 C -ATOM 230 O ARG A 16 6.299 0.641 -0.143 1.00 0.00 O -ATOM 231 CB ARG A 16 6.095 0.409 -3.275 1.00 0.00 C -ATOM 232 CG ARG A 16 5.718 1.773 -3.872 1.00 0.00 C -ATOM 233 CD ARG A 16 4.496 1.668 -4.787 1.00 0.00 C -ATOM 234 NE ARG A 16 4.170 2.979 -5.381 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.620 3.482 -6.525 1.00 0.00 C -ATOM 236 NH1 ARG A 16 5.433 2.811 -7.310 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.260 4.687 -6.902 1.00 0.00 N -ATOM 238 H ARG A 16 7.165 -1.374 -1.242 1.00 0.00 H -ATOM 239 HA ARG A 16 8.134 0.962 -2.796 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.346 -0.256 -4.078 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.232 -0.006 -2.753 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.497 2.454 -3.073 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.563 2.153 -4.447 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.704 0.968 -5.573 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.644 1.325 -4.197 1.00 0.00 H -ATOM 246 HE ARG A 16 3.562 3.570 -4.839 1.00 0.00 H -ATOM 247 HH11 ARG A 16 5.714 1.890 -7.023 1.00 0.00 H -ATOM 248 HH12 ARG A 16 5.768 3.197 -8.173 1.00 0.00 H -ATOM 249 HH21 ARG A 16 3.648 5.240 -6.327 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.602 5.065 -7.766 1.00 0.00 H -ATOM 251 N PRO A 17 7.244 2.550 -0.887 1.00 0.00 N -ATOM 252 CA PRO A 17 6.834 3.351 0.272 1.00 0.00 C -ATOM 253 C PRO A 17 5.302 3.529 0.364 1.00 0.00 C -ATOM 254 O PRO A 17 4.613 3.423 -0.657 1.00 0.00 O -ATOM 255 CB PRO A 17 7.546 4.701 0.109 1.00 0.00 C -ATOM 256 CG PRO A 17 7.773 4.807 -1.398 1.00 0.00 C -ATOM 257 CD PRO A 17 8.043 3.359 -1.797 1.00 0.00 C -ATOM 258 HA PRO A 17 7.191 2.864 1.180 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.929 5.505 0.461 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.509 4.667 0.619 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.902 5.190 -1.895 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.614 5.459 -1.638 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.743 3.188 -2.813 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.099 3.130 -1.650 1.00 0.00 H -ATOM 265 N PRO A 18 4.761 3.830 1.562 1.00 0.00 N -ATOM 266 CA PRO A 18 3.330 4.041 1.763 1.00 0.00 C -ATOM 267 C PRO A 18 2.857 5.363 1.124 1.00 0.00 C -ATOM 268 O PRO A 18 3.561 6.372 1.215 1.00 0.00 O -ATOM 269 CB PRO A 18 3.122 4.052 3.280 1.00 0.00 C -ATOM 270 CG PRO A 18 4.467 4.528 3.826 1.00 0.00 C -ATOM 271 CD PRO A 18 5.475 3.963 2.826 1.00 0.00 C -ATOM 272 HA PRO A 18 2.789 3.199 1.338 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.336 4.730 3.554 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.928 3.039 3.629 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.513 5.600 3.853 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.649 4.156 4.834 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.306 4.633 2.716 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.808 2.979 3.157 1.00 0.00 H -ATOM 279 N PRO A 19 1.664 5.391 0.501 1.00 0.00 N -ATOM 280 CA PRO A 19 1.089 6.605 -0.071 1.00 0.00 C -ATOM 281 C PRO A 19 0.480 7.494 1.027 1.00 0.00 C -ATOM 282 O PRO A 19 -0.248 6.998 1.889 1.00 0.00 O -ATOM 283 CB PRO A 19 0.030 6.099 -1.056 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.452 4.787 -0.431 1.00 0.00 C -ATOM 285 CD PRO A 19 0.776 4.254 0.301 1.00 0.00 C -ATOM 286 HA PRO A 19 1.850 7.167 -0.612 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.777 6.800 -1.143 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.507 5.887 -2.015 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.258 4.965 0.255 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.783 4.076 -1.188 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.491 3.835 1.247 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.276 3.508 -0.318 1.00 0.00 H -ATOM 293 N SER A 20 0.773 8.801 0.994 1.00 0.00 N -ATOM 294 CA SER A 20 0.156 9.787 1.896 1.00 0.00 C -ATOM 295 C SER A 20 -1.215 10.283 1.430 1.00 0.00 C -ATOM 296 O SER A 20 -1.579 10.082 0.257 1.00 0.00 O -ATOM 297 CB SER A 20 1.058 11.002 2.110 1.00 0.00 C -ATOM 298 OG SER A 20 0.393 11.759 3.099 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.809 10.968 2.306 1.00 0.00 O -ATOM 300 H SER A 20 1.346 9.144 0.240 1.00 0.00 H -ATOM 301 HA SER A 20 -0.001 9.315 2.867 1.00 0.00 H -ATOM 302 HB2 SER A 20 2.029 10.699 2.452 1.00 0.00 H -ATOM 303 HB3 SER A 20 1.131 11.580 1.186 1.00 0.00 H -ATOM 304 HG SER A 20 -0.584 11.562 2.923 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 5 -ATOM 1 N ASN A 1 -8.175 6.595 -1.658 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.203 6.342 -0.567 1.00 0.00 C -ATOM 3 C ASN A 1 -5.868 5.761 -1.012 1.00 0.00 C -ATOM 4 O ASN A 1 -4.867 6.207 -0.471 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.789 5.475 0.551 1.00 0.00 C -ATOM 6 CG ASN A 1 -8.492 6.367 1.553 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -9.561 6.874 1.264 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -7.884 6.637 2.695 1.00 0.00 N -ATOM 9 H1 ASN A 1 -7.762 7.177 -2.374 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.486 5.725 -2.069 1.00 0.00 H -ATOM 11 H3 ASN A 1 -8.985 7.069 -1.275 1.00 0.00 H -ATOM 12 HA ASN A 1 -6.948 7.307 -0.124 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.491 4.779 0.135 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -6.995 4.925 1.061 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -6.974 6.276 2.941 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -8.390 7.244 3.321 1.00 0.00 H -ATOM 17 N LEU A 2 -5.828 4.741 -1.887 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.612 4.045 -2.368 1.00 0.00 C -ATOM 19 C LEU A 2 -3.979 3.125 -1.303 1.00 0.00 C -ATOM 20 O LEU A 2 -3.517 2.035 -1.641 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.580 5.040 -2.959 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.147 5.962 -4.067 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.532 7.367 -4.057 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -3.954 5.329 -5.447 1.00 0.00 C -ATOM 25 H LEU A 2 -6.690 4.354 -2.239 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.915 3.389 -3.185 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.214 5.658 -2.162 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.734 4.477 -3.358 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.216 6.098 -3.915 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -3.212 7.650 -3.053 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.676 7.423 -4.729 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.283 8.087 -4.385 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.891 5.203 -5.654 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -4.442 4.355 -5.483 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -4.390 5.972 -6.210 1.00 0.00 H -ATOM 36 N TYR A 3 -4.034 3.507 -0.022 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.488 2.754 1.113 1.00 0.00 C -ATOM 38 C TYR A 3 -3.999 1.304 1.197 1.00 0.00 C -ATOM 39 O TYR A 3 -3.219 0.398 1.481 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.764 3.518 2.421 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.555 3.588 3.333 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.195 2.479 4.123 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.776 4.762 3.370 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.050 2.538 4.942 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.643 4.831 4.199 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.268 3.716 4.975 1.00 0.00 C -ATOM 47 OH TYR A 3 0.867 3.769 5.724 1.00 0.00 O -ATOM 48 H TYR A 3 -4.320 4.468 0.138 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.408 2.707 0.979 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.066 4.518 2.176 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.590 3.050 2.959 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -2.793 1.578 4.096 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -2.027 5.621 2.759 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -0.776 1.690 5.552 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.044 5.734 4.228 1.00 0.00 H -ATOM 56 HH TYR A 3 1.327 2.931 5.742 1.00 0.00 H -ATOM 57 N ILE A 4 -5.288 1.067 0.907 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.894 -0.275 0.884 1.00 0.00 C -ATOM 59 C ILE A 4 -5.214 -1.162 -0.172 1.00 0.00 C -ATOM 60 O ILE A 4 -4.782 -2.273 0.130 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.430 -0.201 0.663 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.116 0.772 1.655 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.062 -1.596 0.813 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.454 2.122 1.015 1.00 0.00 C -ATOM 65 H ILE A 4 -5.869 1.867 0.710 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.718 -0.740 1.855 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.627 0.135 -0.357 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.024 0.321 2.007 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.470 0.935 2.519 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.644 -2.289 0.083 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.885 -1.983 1.817 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.137 -1.535 0.640 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.676 2.427 0.316 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.403 2.047 0.483 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.550 2.876 1.798 1.00 0.00 H -ATOM 76 N GLN A 5 -5.080 -0.655 -1.404 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.405 -1.359 -2.496 1.00 0.00 C -ATOM 78 C GLN A 5 -2.908 -1.559 -2.203 1.00 0.00 C -ATOM 79 O GLN A 5 -2.368 -2.623 -2.496 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.637 -0.594 -3.811 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.176 -1.352 -5.070 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.080 -2.517 -5.485 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.806 -3.119 -4.707 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -5.067 -2.886 -6.751 1.00 0.00 N -ATOM 85 H GLN A 5 -5.392 0.289 -1.566 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.856 -2.348 -2.581 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.687 -0.394 -3.904 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -4.096 0.353 -3.763 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -4.136 -0.654 -5.884 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -3.160 -1.723 -4.932 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.471 -2.439 -7.427 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -5.746 -3.581 -7.000 1.00 0.00 H -ATOM 93 N TRP A 6 -2.243 -0.575 -1.581 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.858 -0.716 -1.118 1.00 0.00 C -ATOM 95 C TRP A 6 -0.699 -1.828 -0.069 1.00 0.00 C -ATOM 96 O TRP A 6 0.195 -2.668 -0.194 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.351 0.624 -0.585 1.00 0.00 C -ATOM 98 CG TRP A 6 1.048 0.578 -0.054 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.171 0.607 -0.807 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.497 0.476 1.333 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.277 0.517 0.018 1.00 0.00 N -ATOM 102 CE2 TRP A 6 2.921 0.430 1.339 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.854 0.427 2.590 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.676 0.352 2.517 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.600 0.338 3.783 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.006 0.310 3.748 1.00 0.00 C -ATOM 107 H TRP A 6 -2.729 0.304 -1.422 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.238 -0.999 -1.969 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.385 1.340 -1.384 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -1.007 0.967 0.214 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.193 0.693 -1.885 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.245 0.568 -0.288 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.224 0.468 2.624 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.754 0.329 2.457 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.091 0.294 4.733 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.573 0.259 4.666 1.00 0.00 H -ATOM 117 N LEU A 7 -1.582 -1.882 0.939 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.603 -2.983 1.905 1.00 0.00 C -ATOM 119 C LEU A 7 -1.840 -4.339 1.225 1.00 0.00 C -ATOM 120 O LEU A 7 -1.195 -5.312 1.611 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.648 -2.725 3.008 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.246 -1.632 4.018 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.417 -1.351 4.965 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.033 -2.033 4.868 1.00 0.00 C -ATOM 125 H LEU A 7 -2.278 -1.141 1.019 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.618 -3.051 2.362 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.566 -2.428 2.539 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.811 -3.653 3.557 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.009 -0.713 3.490 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.299 -1.072 4.387 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.642 -2.240 5.555 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.161 -0.532 5.635 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.219 -2.989 5.358 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.146 -2.116 4.244 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.847 -1.273 5.626 1.00 0.00 H -ATOM 136 N LYS A 8 -2.685 -4.402 0.182 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.936 -5.625 -0.601 1.00 0.00 C -ATOM 138 C LYS A 8 -1.667 -6.232 -1.217 1.00 0.00 C -ATOM 139 O LYS A 8 -1.582 -7.450 -1.336 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.985 -5.346 -1.693 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.692 -6.641 -2.114 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.718 -6.428 -3.232 1.00 0.00 C -ATOM 143 CE LYS A 8 -5.032 -6.294 -4.599 1.00 0.00 C -ATOM 144 NZ LYS A 8 -5.771 -7.040 -5.645 1.00 0.00 N -ATOM 145 H LYS A 8 -3.211 -3.559 -0.040 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.336 -6.373 0.084 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.713 -4.655 -1.313 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.500 -4.897 -2.560 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -3.952 -7.338 -2.457 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.210 -7.046 -1.244 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.387 -7.266 -3.257 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.315 -5.536 -3.029 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -4.993 -5.257 -4.871 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -4.012 -6.679 -4.526 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -5.793 -8.024 -5.407 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -6.721 -6.700 -5.709 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -5.316 -6.938 -6.542 1.00 0.00 H -ATOM 158 N ASP A 9 -0.684 -5.400 -1.577 1.00 0.00 N -ATOM 159 CA ASP A 9 0.625 -5.836 -2.086 1.00 0.00 C -ATOM 160 C ASP A 9 1.499 -6.498 -0.998 1.00 0.00 C -ATOM 161 O ASP A 9 2.414 -7.249 -1.327 1.00 0.00 O -ATOM 162 CB ASP A 9 1.344 -4.617 -2.703 1.00 0.00 C -ATOM 163 CG ASP A 9 2.032 -4.934 -4.036 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.293 -5.094 -5.034 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.282 -4.935 -4.072 1.00 0.00 O -ATOM 166 H ASP A 9 -0.848 -4.407 -1.477 1.00 0.00 H -ATOM 167 HA ASP A 9 0.459 -6.576 -2.871 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.621 -3.842 -2.868 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.073 -4.222 -1.993 1.00 0.00 H -ATOM 170 N GLY A 10 1.197 -6.249 0.290 1.00 0.00 N -ATOM 171 CA GLY A 10 1.964 -6.697 1.458 1.00 0.00 C -ATOM 172 C GLY A 10 2.454 -5.562 2.375 1.00 0.00 C -ATOM 173 O GLY A 10 3.219 -5.821 3.307 1.00 0.00 O -ATOM 174 H GLY A 10 0.340 -5.733 0.471 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.338 -7.359 2.052 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.839 -7.260 1.131 1.00 0.00 H -ATOM 177 N GLY A 11 2.062 -4.303 2.120 1.00 0.00 N -ATOM 178 CA GLY A 11 2.530 -3.141 2.879 1.00 0.00 C -ATOM 179 C GLY A 11 4.060 -2.973 2.802 1.00 0.00 C -ATOM 180 O GLY A 11 4.611 -3.075 1.699 1.00 0.00 O -ATOM 181 H GLY A 11 1.492 -4.143 1.300 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.070 -2.244 2.466 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.200 -3.255 3.909 1.00 0.00 H -ATOM 184 N PRO A 12 4.771 -2.727 3.926 1.00 0.00 N -ATOM 185 CA PRO A 12 6.226 -2.519 3.940 1.00 0.00 C -ATOM 186 C PRO A 12 7.037 -3.646 3.278 1.00 0.00 C -ATOM 187 O PRO A 12 8.097 -3.395 2.709 1.00 0.00 O -ATOM 188 CB PRO A 12 6.621 -2.378 5.418 1.00 0.00 C -ATOM 189 CG PRO A 12 5.327 -1.974 6.119 1.00 0.00 C -ATOM 190 CD PRO A 12 4.247 -2.658 5.284 1.00 0.00 C -ATOM 191 HA PRO A 12 6.447 -1.585 3.423 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.987 -3.310 5.804 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.399 -1.626 5.554 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.312 -2.328 7.132 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.205 -0.892 6.065 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.054 -3.644 5.660 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.323 -2.082 5.337 1.00 0.00 H -ATOM 198 N SER A 13 6.521 -4.880 3.304 1.00 0.00 N -ATOM 199 CA SER A 13 7.176 -6.096 2.804 1.00 0.00 C -ATOM 200 C SER A 13 7.053 -6.286 1.281 1.00 0.00 C -ATOM 201 O SER A 13 7.203 -7.401 0.787 1.00 0.00 O -ATOM 202 CB SER A 13 6.621 -7.302 3.574 1.00 0.00 C -ATOM 203 OG SER A 13 6.881 -7.134 4.956 1.00 0.00 O -ATOM 204 H SER A 13 5.621 -5.007 3.748 1.00 0.00 H -ATOM 205 HA SER A 13 8.242 -6.031 3.029 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.562 -7.373 3.414 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.106 -8.216 3.229 1.00 0.00 H -ATOM 208 HG SER A 13 6.464 -7.849 5.442 1.00 0.00 H -ATOM 209 N SER A 14 6.792 -5.202 0.538 1.00 0.00 N -ATOM 210 CA SER A 14 6.428 -5.207 -0.894 1.00 0.00 C -ATOM 211 C SER A 14 7.386 -4.379 -1.769 1.00 0.00 C -ATOM 212 O SER A 14 7.101 -4.123 -2.941 1.00 0.00 O -ATOM 213 CB SER A 14 4.978 -4.731 -1.093 1.00 0.00 C -ATOM 214 OG SER A 14 4.172 -4.953 0.037 1.00 0.00 O -ATOM 215 H SER A 14 6.675 -4.342 1.057 1.00 0.00 H -ATOM 216 HA SER A 14 6.470 -6.235 -1.257 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.988 -3.679 -1.305 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.551 -5.239 -1.956 1.00 0.00 H -ATOM 219 HG SER A 14 4.342 -4.220 0.679 1.00 0.00 H -ATOM 220 N GLY A 15 8.502 -3.913 -1.182 1.00 0.00 N -ATOM 221 CA GLY A 15 9.546 -3.129 -1.849 1.00 0.00 C -ATOM 222 C GLY A 15 9.114 -1.724 -2.287 1.00 0.00 C -ATOM 223 O GLY A 15 9.680 -1.186 -3.235 1.00 0.00 O -ATOM 224 H GLY A 15 8.649 -4.194 -0.222 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.391 -3.019 -1.170 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.893 -3.670 -2.730 1.00 0.00 H -ATOM 227 N ARG A 16 8.100 -1.139 -1.630 1.00 0.00 N -ATOM 228 CA ARG A 16 7.450 0.119 -2.030 1.00 0.00 C -ATOM 229 C ARG A 16 6.928 0.911 -0.816 1.00 0.00 C -ATOM 230 O ARG A 16 6.269 0.321 0.044 1.00 0.00 O -ATOM 231 CB ARG A 16 6.317 -0.179 -3.034 1.00 0.00 C -ATOM 232 CG ARG A 16 5.288 -1.191 -2.504 1.00 0.00 C -ATOM 233 CD ARG A 16 4.285 -1.659 -3.553 1.00 0.00 C -ATOM 234 NE ARG A 16 4.933 -2.527 -4.549 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.527 -2.735 -5.794 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.493 -2.100 -6.302 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.167 -3.578 -6.566 1.00 0.00 N -ATOM 238 H ARG A 16 7.708 -1.640 -0.844 1.00 0.00 H -ATOM 239 HA ARG A 16 8.196 0.717 -2.550 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.809 0.739 -3.257 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.768 -0.575 -3.945 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.817 -2.049 -2.135 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.734 -0.757 -1.678 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.499 -2.206 -3.068 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.837 -0.783 -4.024 1.00 0.00 H -ATOM 246 HE ARG A 16 5.648 -3.155 -4.195 1.00 0.00 H -ATOM 247 HH11 ARG A 16 2.947 -1.544 -5.671 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.153 -2.320 -7.218 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.883 -4.149 -6.152 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.831 -3.768 -7.490 1.00 0.00 H -ATOM 251 N PRO A 17 7.167 2.235 -0.738 1.00 0.00 N -ATOM 252 CA PRO A 17 6.698 3.071 0.368 1.00 0.00 C -ATOM 253 C PRO A 17 5.171 3.287 0.323 1.00 0.00 C -ATOM 254 O PRO A 17 4.562 3.090 -0.732 1.00 0.00 O -ATOM 255 CB PRO A 17 7.457 4.393 0.202 1.00 0.00 C -ATOM 256 CG PRO A 17 7.658 4.498 -1.308 1.00 0.00 C -ATOM 257 CD PRO A 17 7.864 3.045 -1.729 1.00 0.00 C -ATOM 258 HA PRO A 17 6.972 2.607 1.317 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.878 5.217 0.571 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.428 4.317 0.695 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.793 4.919 -1.784 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.520 5.115 -1.561 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.450 2.878 -2.705 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.927 2.802 -1.714 1.00 0.00 H -ATOM 265 N PRO A 18 4.543 3.703 1.441 1.00 0.00 N -ATOM 266 CA PRO A 18 3.105 3.956 1.499 1.00 0.00 C -ATOM 267 C PRO A 18 2.686 5.190 0.673 1.00 0.00 C -ATOM 268 O PRO A 18 3.440 6.163 0.597 1.00 0.00 O -ATOM 269 CB PRO A 18 2.777 4.132 2.983 1.00 0.00 C -ATOM 270 CG PRO A 18 4.091 4.608 3.598 1.00 0.00 C -ATOM 271 CD PRO A 18 5.149 3.902 2.752 1.00 0.00 C -ATOM 272 HA PRO A 18 2.585 3.075 1.131 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.005 4.865 3.119 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.506 3.167 3.411 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.187 5.674 3.523 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.169 4.334 4.651 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.028 4.511 2.668 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.384 2.932 3.191 1.00 0.00 H -ATOM 279 N PRO A 19 1.485 5.179 0.063 1.00 0.00 N -ATOM 280 CA PRO A 19 0.959 6.296 -0.711 1.00 0.00 C -ATOM 281 C PRO A 19 0.308 7.346 0.205 1.00 0.00 C -ATOM 282 O PRO A 19 -0.866 7.217 0.563 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.038 5.662 -1.685 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.611 4.494 -0.880 1.00 0.00 C -ATOM 285 CD PRO A 19 0.571 4.046 -0.020 1.00 0.00 C -ATOM 286 HA PRO A 19 1.758 6.771 -1.284 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.808 6.358 -1.956 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.500 5.276 -2.551 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.432 4.815 -0.268 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.960 3.695 -1.533 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.232 3.772 0.961 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.080 3.221 -0.514 1.00 0.00 H -ATOM 293 N SER A 20 1.081 8.389 0.531 1.00 0.00 N -ATOM 294 CA SER A 20 0.712 9.526 1.401 1.00 0.00 C -ATOM 295 C SER A 20 0.588 9.160 2.890 1.00 0.00 C -ATOM 296 O SER A 20 0.262 10.095 3.652 1.00 0.00 O -ATOM 297 CB SER A 20 -0.566 10.221 0.907 1.00 0.00 C -ATOM 298 OG SER A 20 -0.448 10.583 -0.457 1.00 0.00 O -ATOM 299 OXT SER A 20 0.841 7.989 3.253 1.00 0.00 O -ATOM 300 H SER A 20 2.044 8.336 0.235 1.00 0.00 H -ATOM 301 HA SER A 20 1.510 10.263 1.347 1.00 0.00 H -ATOM 302 HB2 SER A 20 -1.397 9.552 1.023 1.00 0.00 H -ATOM 303 HB3 SER A 20 -0.739 11.118 1.507 1.00 0.00 H -ATOM 304 HG SER A 20 -1.325 10.595 -0.845 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 6 -ATOM 1 N ASN A 1 -8.386 5.528 0.323 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.252 6.475 0.201 1.00 0.00 C -ATOM 3 C ASN A 1 -5.976 5.793 -0.320 1.00 0.00 C -ATOM 4 O ASN A 1 -4.928 5.981 0.279 1.00 0.00 O -ATOM 5 CB ASN A 1 -6.989 7.168 1.563 1.00 0.00 C -ATOM 6 CG ASN A 1 -8.182 7.971 2.069 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -9.321 7.671 1.737 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -7.956 8.989 2.877 1.00 0.00 N -ATOM 9 H1 ASN A 1 -8.680 5.191 -0.583 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.133 4.750 0.917 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.162 6.024 0.757 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.519 7.256 -0.513 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -6.753 6.414 2.289 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -6.141 7.847 1.464 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -7.025 9.245 3.168 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -8.768 9.497 3.186 1.00 0.00 H -ATOM 17 N LEU A 2 -6.033 4.992 -1.399 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.893 4.279 -2.026 1.00 0.00 C -ATOM 19 C LEU A 2 -4.189 3.209 -1.150 1.00 0.00 C -ATOM 20 O LEU A 2 -3.787 2.161 -1.653 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.898 5.323 -2.592 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.403 5.048 -4.026 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.520 5.284 -5.049 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -2.245 5.991 -4.373 1.00 0.00 C -ATOM 25 H LEU A 2 -6.896 4.918 -1.915 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.303 3.724 -2.868 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.382 6.281 -2.586 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.041 5.381 -1.923 1.00 0.00 H -ATOM 29 HG LEU A 2 -3.055 4.018 -4.106 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -5.356 4.614 -4.868 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -4.864 6.318 -4.993 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.141 5.093 -6.053 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.447 7.000 -4.006 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -1.330 5.621 -3.919 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -2.089 6.031 -5.450 1.00 0.00 H -ATOM 36 N TYR A 3 -4.112 3.429 0.165 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.496 2.595 1.193 1.00 0.00 C -ATOM 38 C TYR A 3 -4.014 1.148 1.203 1.00 0.00 C -ATOM 39 O TYR A 3 -3.249 0.231 1.485 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.710 3.279 2.555 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.553 3.084 3.510 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.456 1.903 4.268 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.561 4.078 3.620 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.355 1.701 5.120 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.454 3.878 4.467 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.345 2.682 5.210 1.00 0.00 C -ATOM 47 OH TYR A 3 0.737 2.459 6.003 1.00 0.00 O -ATOM 48 H TYR A 3 -4.356 4.372 0.451 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.424 2.563 0.995 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.843 4.331 2.391 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.629 2.908 3.015 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.225 1.149 4.184 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.654 5.000 3.056 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.263 0.796 5.701 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.299 4.646 4.556 1.00 0.00 H -ATOM 56 HH TYR A 3 1.435 3.096 5.844 1.00 0.00 H -ATOM 57 N ILE A 4 -5.288 0.927 0.844 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.882 -0.413 0.700 1.00 0.00 C -ATOM 59 C ILE A 4 -5.155 -1.216 -0.392 1.00 0.00 C -ATOM 60 O ILE A 4 -4.783 -2.368 -0.166 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.403 -0.333 0.415 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.165 0.597 1.397 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.025 -1.739 0.474 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.569 1.925 0.742 1.00 0.00 C -ATOM 65 H ILE A 4 -5.849 1.736 0.639 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.742 -0.945 1.643 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.545 0.041 -0.602 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.051 0.094 1.733 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.558 0.797 2.280 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.561 -2.398 -0.261 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.892 -2.168 1.469 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.091 -1.683 0.250 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.690 2.447 0.367 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.256 1.730 -0.083 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.076 2.550 1.478 1.00 0.00 H -ATOM 76 N GLN A 5 -4.919 -0.602 -1.563 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.148 -1.213 -2.650 1.00 0.00 C -ATOM 78 C GLN A 5 -2.698 -1.477 -2.220 1.00 0.00 C -ATOM 79 O GLN A 5 -2.176 -2.563 -2.456 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.189 -0.338 -3.923 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.048 -0.952 -5.043 1.00 0.00 C -ATOM 82 CD GLN A 5 -4.557 -0.530 -6.426 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -3.843 -1.254 -7.098 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -4.900 0.648 -6.907 1.00 0.00 N -ATOM 85 H GLN A 5 -5.147 0.379 -1.642 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.590 -2.184 -2.870 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.595 0.621 -3.666 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.171 -0.226 -4.301 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.003 -2.022 -4.969 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.090 -0.657 -4.912 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -5.491 1.299 -6.420 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -4.516 0.824 -7.820 1.00 0.00 H -ATOM 93 N TRP A 6 -2.058 -0.514 -1.548 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.698 -0.699 -1.033 1.00 0.00 C -ATOM 95 C TRP A 6 -0.598 -1.819 0.024 1.00 0.00 C -ATOM 96 O TRP A 6 0.351 -2.603 0.007 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.182 0.633 -0.487 1.00 0.00 C -ATOM 98 CG TRP A 6 1.208 0.559 0.054 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.340 0.584 -0.684 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.636 0.399 1.441 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.434 0.426 0.145 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.060 0.338 1.464 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.968 0.306 2.680 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.793 0.231 2.652 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.692 0.176 3.881 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.098 0.160 3.871 1.00 0.00 C -ATOM 107 H TRP A 6 -2.537 0.370 -1.411 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.056 -0.999 -1.865 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.199 1.355 -1.281 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.845 0.977 0.306 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.372 0.691 -1.760 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.406 0.397 -0.171 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.111 0.343 2.699 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.871 0.201 2.617 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.165 0.101 4.820 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.644 0.086 4.800 1.00 0.00 H -ATOM 117 N LEU A 7 -1.583 -1.947 0.921 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.656 -3.076 1.851 1.00 0.00 C -ATOM 119 C LEU A 7 -1.870 -4.413 1.124 1.00 0.00 C -ATOM 120 O LEU A 7 -1.239 -5.396 1.507 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.744 -2.838 2.914 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.336 -1.840 4.014 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.558 -1.525 4.882 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.236 -2.386 4.934 1.00 0.00 C -ATOM 125 H LEU A 7 -2.308 -1.232 0.953 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.691 -3.164 2.348 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.619 -2.459 2.422 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.984 -3.790 3.391 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.981 -0.918 3.559 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.336 -1.072 4.269 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.942 -2.440 5.333 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.281 -0.829 5.675 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.580 -3.296 5.429 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.333 -2.606 4.369 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.987 -1.645 5.691 1.00 0.00 H -ATOM 136 N LYS A 8 -2.686 -4.452 0.056 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.868 -5.634 -0.809 1.00 0.00 C -ATOM 138 C LYS A 8 -1.553 -6.182 -1.385 1.00 0.00 C -ATOM 139 O LYS A 8 -1.446 -7.398 -1.524 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.855 -5.315 -1.947 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.312 -5.718 -1.691 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.595 -7.194 -2.011 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.083 -7.358 -2.351 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.467 -8.781 -2.499 1.00 0.00 N -ATOM 145 H LYS A 8 -3.201 -3.604 -0.166 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.277 -6.443 -0.202 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.830 -4.256 -2.119 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.518 -5.782 -2.874 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.538 -5.544 -0.657 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.933 -5.099 -2.340 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -4.999 -7.501 -2.849 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.322 -7.812 -1.153 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.668 -6.922 -1.564 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.274 -6.823 -3.286 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -6.831 -9.251 -3.130 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.436 -9.244 -1.601 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -8.406 -8.854 -2.869 1.00 0.00 H -ATOM 158 N ASP A 9 -0.560 -5.331 -1.687 1.00 0.00 N -ATOM 159 CA ASP A 9 0.784 -5.780 -2.096 1.00 0.00 C -ATOM 160 C ASP A 9 1.568 -6.488 -0.965 1.00 0.00 C -ATOM 161 O ASP A 9 2.503 -7.234 -1.258 1.00 0.00 O -ATOM 162 CB ASP A 9 1.632 -4.594 -2.600 1.00 0.00 C -ATOM 163 CG ASP A 9 1.231 -4.011 -3.959 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.430 -4.722 -4.969 1.00 0.00 O -ATOM 165 OD2 ASP A 9 0.856 -2.815 -4.003 1.00 0.00 O -ATOM 166 H ASP A 9 -0.747 -4.339 -1.618 1.00 0.00 H -ATOM 167 HA ASP A 9 0.686 -6.498 -2.912 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.563 -3.808 -1.872 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.656 -4.948 -2.713 1.00 0.00 H -ATOM 170 N GLY A 10 1.199 -6.278 0.311 1.00 0.00 N -ATOM 171 CA GLY A 10 1.937 -6.750 1.490 1.00 0.00 C -ATOM 172 C GLY A 10 2.431 -5.639 2.432 1.00 0.00 C -ATOM 173 O GLY A 10 3.200 -5.926 3.352 1.00 0.00 O -ATOM 174 H GLY A 10 0.336 -5.769 0.474 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.286 -7.408 2.066 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.807 -7.329 1.179 1.00 0.00 H -ATOM 177 N GLY A 11 2.031 -4.376 2.219 1.00 0.00 N -ATOM 178 CA GLY A 11 2.470 -3.241 3.034 1.00 0.00 C -ATOM 179 C GLY A 11 4.000 -3.062 3.006 1.00 0.00 C -ATOM 180 O GLY A 11 4.575 -3.113 1.914 1.00 0.00 O -ATOM 181 H GLY A 11 1.469 -4.186 1.397 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.015 -2.334 2.636 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.114 -3.391 4.051 1.00 0.00 H -ATOM 184 N PRO A 12 4.686 -2.853 4.152 1.00 0.00 N -ATOM 185 CA PRO A 12 6.138 -2.627 4.199 1.00 0.00 C -ATOM 186 C PRO A 12 6.979 -3.705 3.499 1.00 0.00 C -ATOM 187 O PRO A 12 8.023 -3.398 2.928 1.00 0.00 O -ATOM 188 CB PRO A 12 6.504 -2.546 5.686 1.00 0.00 C -ATOM 189 CG PRO A 12 5.198 -2.156 6.370 1.00 0.00 C -ATOM 190 CD PRO A 12 4.133 -2.817 5.498 1.00 0.00 C -ATOM 191 HA PRO A 12 6.351 -1.666 3.730 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.853 -3.495 6.045 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.286 -1.807 5.866 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.162 -2.534 7.374 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.079 -1.073 6.340 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.931 -3.812 5.845 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.207 -2.241 5.544 1.00 0.00 H -ATOM 198 N SER A 13 6.508 -4.958 3.493 1.00 0.00 N -ATOM 199 CA SER A 13 7.189 -6.103 2.872 1.00 0.00 C -ATOM 200 C SER A 13 7.058 -6.147 1.336 1.00 0.00 C -ATOM 201 O SER A 13 7.435 -7.142 0.722 1.00 0.00 O -ATOM 202 CB SER A 13 6.693 -7.403 3.522 1.00 0.00 C -ATOM 203 OG SER A 13 7.056 -7.403 4.891 1.00 0.00 O -ATOM 204 H SER A 13 5.629 -5.143 3.955 1.00 0.00 H -ATOM 205 HA SER A 13 8.255 -6.026 3.087 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.625 -7.465 3.433 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.159 -8.260 3.034 1.00 0.00 H -ATOM 208 HG SER A 13 6.918 -8.284 5.253 1.00 0.00 H -ATOM 209 N SER A 14 6.545 -5.077 0.709 1.00 0.00 N -ATOM 210 CA SER A 14 6.283 -4.978 -0.737 1.00 0.00 C -ATOM 211 C SER A 14 7.371 -4.237 -1.526 1.00 0.00 C -ATOM 212 O SER A 14 7.218 -4.034 -2.732 1.00 0.00 O -ATOM 213 CB SER A 14 4.974 -4.222 -0.999 1.00 0.00 C -ATOM 214 OG SER A 14 3.964 -4.544 -0.082 1.00 0.00 O -ATOM 215 H SER A 14 6.237 -4.313 1.299 1.00 0.00 H -ATOM 216 HA SER A 14 6.178 -5.981 -1.151 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.169 -3.169 -0.937 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.638 -4.447 -2.011 1.00 0.00 H -ATOM 219 HG SER A 14 4.139 -4.000 0.726 1.00 0.00 H -ATOM 220 N GLY A 15 8.414 -3.725 -0.859 1.00 0.00 N -ATOM 221 CA GLY A 15 9.471 -2.894 -1.454 1.00 0.00 C -ATOM 222 C GLY A 15 9.041 -1.455 -1.795 1.00 0.00 C -ATOM 223 O GLY A 15 9.819 -0.525 -1.599 1.00 0.00 O -ATOM 224 H GLY A 15 8.450 -3.903 0.136 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.311 -2.842 -0.764 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.822 -3.367 -2.372 1.00 0.00 H -ATOM 227 N ARG A 16 7.814 -1.262 -2.297 1.00 0.00 N -ATOM 228 CA ARG A 16 7.226 0.051 -2.611 1.00 0.00 C -ATOM 229 C ARG A 16 6.816 0.830 -1.338 1.00 0.00 C -ATOM 230 O ARG A 16 6.195 0.243 -0.447 1.00 0.00 O -ATOM 231 CB ARG A 16 6.050 -0.120 -3.595 1.00 0.00 C -ATOM 232 CG ARG A 16 4.880 -0.960 -3.052 1.00 0.00 C -ATOM 233 CD ARG A 16 3.737 -1.115 -4.058 1.00 0.00 C -ATOM 234 NE ARG A 16 4.012 -2.181 -5.038 1.00 0.00 N -ATOM 235 CZ ARG A 16 3.322 -2.423 -6.147 1.00 0.00 C -ATOM 236 NH1 ARG A 16 2.338 -1.649 -6.533 1.00 0.00 N -ATOM 237 NH2 ARG A 16 3.618 -3.461 -6.892 1.00 0.00 N -ATOM 238 H ARG A 16 7.281 -2.107 -2.474 1.00 0.00 H -ATOM 239 HA ARG A 16 8.002 0.620 -3.123 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.676 0.855 -3.843 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.426 -0.587 -4.506 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.248 -1.936 -2.800 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.474 -0.469 -2.174 1.00 0.00 H -ATOM 244 HD2 ARG A 16 2.836 -1.356 -3.526 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.570 -0.162 -4.563 1.00 0.00 H -ATOM 246 HE ARG A 16 4.727 -2.848 -4.801 1.00 0.00 H -ATOM 247 HH11 ARG A 16 1.964 -1.052 -5.816 1.00 0.00 H -ATOM 248 HH12 ARG A 16 1.772 -1.893 -7.322 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.226 -4.165 -6.517 1.00 0.00 H -ATOM 250 HH22 ARG A 16 3.002 -3.699 -7.645 1.00 0.00 H -ATOM 251 N PRO A 17 7.097 2.147 -1.240 1.00 0.00 N -ATOM 252 CA PRO A 17 6.733 2.965 -0.077 1.00 0.00 C -ATOM 253 C PRO A 17 5.211 3.205 0.012 1.00 0.00 C -ATOM 254 O PRO A 17 4.514 3.057 -0.995 1.00 0.00 O -ATOM 255 CB PRO A 17 7.499 4.279 -0.266 1.00 0.00 C -ATOM 256 CG PRO A 17 7.601 4.413 -1.783 1.00 0.00 C -ATOM 257 CD PRO A 17 7.764 2.966 -2.245 1.00 0.00 C -ATOM 258 HA PRO A 17 7.073 2.472 0.834 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.958 5.103 0.157 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.500 4.183 0.158 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.711 4.851 -2.192 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.451 5.031 -2.080 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.305 2.827 -3.205 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.823 2.707 -2.277 1.00 0.00 H -ATOM 265 N PRO A 18 4.682 3.595 1.190 1.00 0.00 N -ATOM 266 CA PRO A 18 3.257 3.860 1.368 1.00 0.00 C -ATOM 267 C PRO A 18 2.815 5.129 0.616 1.00 0.00 C -ATOM 268 O PRO A 18 3.586 6.086 0.526 1.00 0.00 O -ATOM 269 CB PRO A 18 3.049 4.007 2.879 1.00 0.00 C -ATOM 270 CG PRO A 18 4.407 4.496 3.377 1.00 0.00 C -ATOM 271 CD PRO A 18 5.393 3.792 2.447 1.00 0.00 C -ATOM 272 HA PRO A 18 2.691 3.004 1.010 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.280 4.725 3.093 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.830 3.031 3.313 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.488 5.562 3.288 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.575 4.231 4.423 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.262 4.402 2.293 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.666 2.823 2.864 1.00 0.00 H -ATOM 279 N PRO A 19 1.564 5.179 0.116 1.00 0.00 N -ATOM 280 CA PRO A 19 1.048 6.326 -0.630 1.00 0.00 C -ATOM 281 C PRO A 19 0.603 7.495 0.262 1.00 0.00 C -ATOM 282 O PRO A 19 0.510 8.619 -0.227 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.136 5.763 -1.415 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.683 4.666 -0.501 1.00 0.00 C -ATOM 285 CD PRO A 19 0.585 4.100 0.134 1.00 0.00 C -ATOM 286 HA PRO A 19 1.801 6.695 -1.328 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.875 6.521 -1.589 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.239 5.311 -2.333 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.340 5.073 0.243 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.221 3.904 -1.064 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.390 3.791 1.143 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.959 3.279 -0.477 1.00 0.00 H -ATOM 293 N SER A 20 0.367 7.228 1.556 1.00 0.00 N -ATOM 294 CA SER A 20 -0.233 8.139 2.544 1.00 0.00 C -ATOM 295 C SER A 20 -1.656 8.585 2.160 1.00 0.00 C -ATOM 296 O SER A 20 -2.384 7.708 1.628 1.00 0.00 O -ATOM 297 CB SER A 20 0.737 9.297 2.810 1.00 0.00 C -ATOM 298 OG SER A 20 0.750 9.605 4.190 1.00 0.00 O -ATOM 299 OXT SER A 20 -2.026 9.739 2.451 1.00 0.00 O -ATOM 300 H SER A 20 0.453 6.262 1.817 1.00 0.00 H -ATOM 301 HA SER A 20 -0.350 7.592 3.476 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.724 9.013 2.499 1.00 0.00 H -ATOM 303 HB3 SER A 20 0.448 10.165 2.214 1.00 0.00 H -ATOM 304 HG SER A 20 0.692 10.559 4.282 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 7 -ATOM 1 N ASN A 1 -8.903 5.528 -0.196 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.549 5.998 -0.581 1.00 0.00 C -ATOM 3 C ASN A 1 -6.760 4.831 -1.189 1.00 0.00 C -ATOM 4 O ASN A 1 -7.247 3.705 -1.144 1.00 0.00 O -ATOM 5 CB ASN A 1 -6.831 6.647 0.620 1.00 0.00 C -ATOM 6 CG ASN A 1 -5.684 7.538 0.154 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -4.583 7.063 -0.078 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -5.924 8.815 -0.078 1.00 0.00 N -ATOM 9 H1 ASN A 1 -9.364 5.129 -1.005 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.821 4.800 0.502 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.457 6.290 0.168 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.661 6.757 -1.358 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -7.535 7.240 1.171 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -6.437 5.876 1.282 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -6.803 9.269 0.111 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -5.123 9.345 -0.388 1.00 0.00 H -ATOM 17 N LEU A 2 -5.566 5.065 -1.745 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.705 4.017 -2.308 1.00 0.00 C -ATOM 19 C LEU A 2 -4.063 3.108 -1.244 1.00 0.00 C -ATOM 20 O LEU A 2 -3.570 2.036 -1.587 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.636 4.665 -3.218 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.984 4.537 -4.715 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.137 5.490 -5.557 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -3.737 3.110 -5.216 1.00 0.00 C -ATOM 25 H LEU A 2 -5.153 5.991 -1.653 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.332 3.363 -2.913 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.557 5.706 -2.970 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.666 4.195 -3.051 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.035 4.787 -4.864 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -3.377 6.522 -5.297 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.077 5.308 -5.382 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.356 5.339 -6.615 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.687 2.842 -5.096 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -4.350 2.412 -4.658 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -4.007 3.032 -6.270 1.00 0.00 H -ATOM 36 N TYR A 3 -4.102 3.487 0.042 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.503 2.730 1.149 1.00 0.00 C -ATOM 38 C TYR A 3 -3.977 1.265 1.216 1.00 0.00 C -ATOM 39 O TYR A 3 -3.168 0.369 1.448 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.768 3.466 2.474 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.672 3.279 3.509 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.536 2.057 4.196 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.783 4.339 3.784 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.523 1.895 5.162 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.765 4.177 4.741 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.640 2.961 5.441 1.00 0.00 C -ATOM 47 OH TYR A 3 0.309 2.837 6.407 1.00 0.00 O -ATOM 48 H TYR A 3 -4.453 4.414 0.232 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.424 2.713 0.990 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.861 4.514 2.266 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.720 3.136 2.894 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.211 1.241 3.988 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.890 5.287 3.275 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.418 0.959 5.689 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.083 4.982 4.975 1.00 0.00 H -ATOM 56 HH TYR A 3 0.037 2.243 7.107 1.00 0.00 H -ATOM 57 N ILE A 4 -5.269 1.004 0.959 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.833 -0.356 0.888 1.00 0.00 C -ATOM 59 C ILE A 4 -5.161 -1.164 -0.238 1.00 0.00 C -ATOM 60 O ILE A 4 -4.772 -2.318 -0.049 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.371 -0.313 0.696 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.110 0.552 1.752 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.954 -1.737 0.753 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.509 1.938 1.232 1.00 0.00 C -ATOM 65 H ILE A 4 -5.872 1.790 0.762 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.619 -0.864 1.831 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.587 0.085 -0.297 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.999 0.033 2.055 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.496 0.664 2.647 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.517 -2.368 -0.021 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.761 -2.183 1.729 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.031 -1.704 0.581 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.626 2.563 1.121 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.024 1.846 0.274 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.188 2.410 1.945 1.00 0.00 H -ATOM 76 N GLN A 5 -5.003 -0.544 -1.411 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.375 -1.125 -2.597 1.00 0.00 C -ATOM 78 C GLN A 5 -2.869 -1.353 -2.405 1.00 0.00 C -ATOM 79 O GLN A 5 -2.354 -2.357 -2.886 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.661 -0.216 -3.809 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.379 -0.927 -4.966 1.00 0.00 C -ATOM 82 CD GLN A 5 -4.417 -1.485 -6.011 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.226 -0.906 -7.068 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -3.781 -2.614 -5.772 1.00 0.00 N -ATOM 85 H GLN A 5 -5.256 0.433 -1.455 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.826 -2.102 -2.768 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.275 0.600 -3.481 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.731 0.222 -4.174 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.955 -1.738 -4.564 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.017 -0.197 -5.466 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -3.799 -3.091 -4.886 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -3.166 -2.885 -6.520 1.00 0.00 H -ATOM 93 N TRP A 6 -2.181 -0.471 -1.666 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.803 -0.688 -1.216 1.00 0.00 C -ATOM 95 C TRP A 6 -0.702 -1.871 -0.236 1.00 0.00 C -ATOM 96 O TRP A 6 0.137 -2.753 -0.420 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.253 0.612 -0.609 1.00 0.00 C -ATOM 98 CG TRP A 6 1.148 0.524 -0.079 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.275 0.502 -0.828 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.590 0.428 1.311 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.377 0.391 0.000 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.013 0.346 1.324 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.937 0.410 2.563 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.756 0.265 2.509 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.672 0.321 3.762 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.077 0.254 3.738 1.00 0.00 C -ATOM 107 H TRP A 6 -2.666 0.378 -1.389 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.189 -0.942 -2.080 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.274 1.369 -1.369 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.902 0.932 0.205 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.303 0.552 -1.909 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.354 0.366 -0.301 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.141 0.482 2.594 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.833 0.212 2.461 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.154 0.320 4.711 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.633 0.202 4.663 1.00 0.00 H -ATOM 117 N LEU A 7 -1.584 -1.939 0.773 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.618 -3.061 1.719 1.00 0.00 C -ATOM 119 C LEU A 7 -1.896 -4.418 1.055 1.00 0.00 C -ATOM 120 O LEU A 7 -1.383 -5.420 1.551 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.638 -2.803 2.843 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.158 -1.828 3.935 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.332 -1.509 4.865 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.029 -2.411 4.793 1.00 0.00 C -ATOM 125 H LEU A 7 -2.238 -1.169 0.902 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.625 -3.152 2.159 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.528 -2.398 2.401 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.875 -3.753 3.326 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.813 -0.903 3.475 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.138 -1.046 4.295 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.701 -2.424 5.328 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.014 -0.822 5.647 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.366 -3.322 5.290 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.162 -2.644 4.181 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.726 -1.685 5.547 1.00 0.00 H -ATOM 136 N LYS A 8 -2.649 -4.469 -0.060 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.926 -5.712 -0.805 1.00 0.00 C -ATOM 138 C LYS A 8 -1.673 -6.493 -1.213 1.00 0.00 C -ATOM 139 O LYS A 8 -1.747 -7.718 -1.261 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.745 -5.435 -2.077 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.245 -5.187 -1.834 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.112 -6.160 -2.652 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.013 -7.607 -2.144 1.00 0.00 C -ATOM 144 NZ LYS A 8 -6.775 -7.803 -0.889 1.00 0.00 N -ATOM 145 H LYS A 8 -3.091 -3.603 -0.351 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.486 -6.385 -0.157 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.336 -4.566 -2.556 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.629 -6.287 -2.748 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.457 -5.322 -0.791 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.483 -4.171 -2.145 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -7.135 -5.843 -2.591 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.787 -6.129 -3.694 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -6.405 -8.266 -2.895 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -4.957 -7.857 -1.989 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -6.431 -7.175 -0.174 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.755 -7.610 -1.046 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -6.676 -8.755 -0.564 1.00 0.00 H -ATOM 158 N ASP A 9 -0.575 -5.806 -1.542 1.00 0.00 N -ATOM 159 CA ASP A 9 0.679 -6.439 -1.960 1.00 0.00 C -ATOM 160 C ASP A 9 1.407 -7.073 -0.759 1.00 0.00 C -ATOM 161 O ASP A 9 1.771 -8.246 -0.798 1.00 0.00 O -ATOM 162 CB ASP A 9 1.529 -5.384 -2.684 1.00 0.00 C -ATOM 163 CG ASP A 9 2.629 -6.016 -3.539 1.00 0.00 C -ATOM 164 OD1 ASP A 9 3.661 -6.415 -2.960 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.415 -6.083 -4.770 1.00 0.00 O -ATOM 166 H ASP A 9 -0.608 -4.796 -1.483 1.00 0.00 H -ATOM 167 HA ASP A 9 0.451 -7.236 -2.670 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.890 -4.801 -3.319 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.960 -4.694 -1.962 1.00 0.00 H -ATOM 170 N GLY A 10 1.538 -6.316 0.338 1.00 0.00 N -ATOM 171 CA GLY A 10 2.154 -6.771 1.590 1.00 0.00 C -ATOM 172 C GLY A 10 2.656 -5.655 2.516 1.00 0.00 C -ATOM 173 O GLY A 10 3.600 -5.875 3.278 1.00 0.00 O -ATOM 174 H GLY A 10 1.219 -5.364 0.236 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.421 -7.360 2.140 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.998 -7.420 1.354 1.00 0.00 H -ATOM 177 N GLY A 11 2.069 -4.451 2.456 1.00 0.00 N -ATOM 178 CA GLY A 11 2.511 -3.295 3.240 1.00 0.00 C -ATOM 179 C GLY A 11 4.009 -2.997 3.049 1.00 0.00 C -ATOM 180 O GLY A 11 4.473 -2.994 1.904 1.00 0.00 O -ATOM 181 H GLY A 11 1.299 -4.330 1.814 1.00 0.00 H -ATOM 182 HA2 GLY A 11 1.950 -2.415 2.922 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.285 -3.490 4.287 1.00 0.00 H -ATOM 184 N PRO A 12 4.798 -2.757 4.119 1.00 0.00 N -ATOM 185 CA PRO A 12 6.237 -2.490 4.008 1.00 0.00 C -ATOM 186 C PRO A 12 7.033 -3.579 3.271 1.00 0.00 C -ATOM 187 O PRO A 12 8.035 -3.275 2.626 1.00 0.00 O -ATOM 188 CB PRO A 12 6.745 -2.333 5.447 1.00 0.00 C -ATOM 189 CG PRO A 12 5.496 -1.973 6.248 1.00 0.00 C -ATOM 190 CD PRO A 12 4.382 -2.715 5.512 1.00 0.00 C -ATOM 191 HA PRO A 12 6.371 -1.546 3.479 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.173 -3.251 5.802 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.505 -1.553 5.517 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.579 -2.312 7.263 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.320 -0.898 6.189 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.273 -3.709 5.901 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.437 -2.188 5.641 1.00 0.00 H -ATOM 198 N SER A 13 6.580 -4.841 3.318 1.00 0.00 N -ATOM 199 CA SER A 13 7.226 -5.980 2.655 1.00 0.00 C -ATOM 200 C SER A 13 6.995 -6.022 1.132 1.00 0.00 C -ATOM 201 O SER A 13 7.473 -6.945 0.480 1.00 0.00 O -ATOM 202 CB SER A 13 6.775 -7.286 3.323 1.00 0.00 C -ATOM 203 OG SER A 13 7.214 -7.315 4.671 1.00 0.00 O -ATOM 204 H SER A 13 5.719 -5.035 3.818 1.00 0.00 H -ATOM 205 HA SER A 13 8.303 -5.894 2.797 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.704 -7.348 3.296 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.200 -8.143 2.797 1.00 0.00 H -ATOM 208 HG SER A 13 8.172 -7.390 4.683 1.00 0.00 H -ATOM 209 N SER A 14 6.312 -5.020 0.559 1.00 0.00 N -ATOM 210 CA SER A 14 6.003 -4.909 -0.880 1.00 0.00 C -ATOM 211 C SER A 14 7.153 -4.342 -1.729 1.00 0.00 C -ATOM 212 O SER A 14 7.036 -4.271 -2.950 1.00 0.00 O -ATOM 213 CB SER A 14 4.797 -3.981 -1.103 1.00 0.00 C -ATOM 214 OG SER A 14 3.761 -4.194 -0.169 1.00 0.00 O -ATOM 215 H SER A 14 5.943 -4.308 1.175 1.00 0.00 H -ATOM 216 HA SER A 14 5.743 -5.896 -1.266 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.128 -2.964 -1.021 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.414 -4.137 -2.112 1.00 0.00 H -ATOM 219 HG SER A 14 4.006 -3.709 0.659 1.00 0.00 H -ATOM 220 N GLY A 15 8.240 -3.857 -1.110 1.00 0.00 N -ATOM 221 CA GLY A 15 9.347 -3.207 -1.825 1.00 0.00 C -ATOM 222 C GLY A 15 9.072 -1.761 -2.273 1.00 0.00 C -ATOM 223 O GLY A 15 9.838 -1.222 -3.067 1.00 0.00 O -ATOM 224 H GLY A 15 8.290 -3.959 -0.106 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.231 -3.198 -1.187 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.588 -3.789 -2.715 1.00 0.00 H -ATOM 227 N ARG A 16 7.994 -1.127 -1.781 1.00 0.00 N -ATOM 228 CA ARG A 16 7.572 0.231 -2.153 1.00 0.00 C -ATOM 229 C ARG A 16 6.983 0.981 -0.944 1.00 0.00 C -ATOM 230 O ARG A 16 6.181 0.382 -0.224 1.00 0.00 O -ATOM 231 CB ARG A 16 6.533 0.117 -3.285 1.00 0.00 C -ATOM 232 CG ARG A 16 6.200 1.481 -3.901 1.00 0.00 C -ATOM 233 CD ARG A 16 5.147 1.363 -5.008 1.00 0.00 C -ATOM 234 NE ARG A 16 5.045 2.615 -5.780 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.495 3.765 -5.404 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.939 3.937 -4.225 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.510 4.784 -6.232 1.00 0.00 N -ATOM 238 H ARG A 16 7.425 -1.634 -1.117 1.00 0.00 H -ATOM 239 HA ARG A 16 8.445 0.765 -2.527 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.925 -0.523 -4.052 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.621 -0.343 -2.899 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.824 2.127 -3.131 1.00 0.00 H -ATOM 243 HG3 ARG A 16 7.111 1.904 -4.324 1.00 0.00 H -ATOM 244 HD2 ARG A 16 5.422 0.565 -5.670 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.180 1.105 -4.573 1.00 0.00 H -ATOM 246 HE ARG A 16 5.452 2.594 -6.699 1.00 0.00 H -ATOM 247 HH11 ARG A 16 3.987 3.199 -3.541 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.537 4.819 -3.965 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.943 4.701 -7.136 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.103 5.659 -5.956 1.00 0.00 H -ATOM 251 N PRO A 17 7.298 2.279 -0.734 1.00 0.00 N -ATOM 252 CA PRO A 17 6.723 3.073 0.357 1.00 0.00 C -ATOM 253 C PRO A 17 5.203 3.301 0.202 1.00 0.00 C -ATOM 254 O PRO A 17 4.670 3.166 -0.908 1.00 0.00 O -ATOM 255 CB PRO A 17 7.497 4.399 0.343 1.00 0.00 C -ATOM 256 CG PRO A 17 7.943 4.539 -1.109 1.00 0.00 C -ATOM 257 CD PRO A 17 8.231 3.093 -1.505 1.00 0.00 C -ATOM 258 HA PRO A 17 6.912 2.560 1.300 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.863 5.216 0.629 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.374 4.317 0.985 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.164 4.960 -1.715 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.827 5.172 -1.206 1.00 0.00 H -ATOM 263 HD2 PRO A 17 8.069 2.954 -2.556 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.253 2.834 -1.225 1.00 0.00 H -ATOM 265 N PRO A 18 4.505 3.662 1.301 1.00 0.00 N -ATOM 266 CA PRO A 18 3.065 3.925 1.293 1.00 0.00 C -ATOM 267 C PRO A 18 2.700 5.218 0.535 1.00 0.00 C -ATOM 268 O PRO A 18 3.563 6.066 0.303 1.00 0.00 O -ATOM 269 CB PRO A 18 2.661 4.003 2.774 1.00 0.00 C -ATOM 270 CG PRO A 18 3.933 4.476 3.472 1.00 0.00 C -ATOM 271 CD PRO A 18 5.039 3.819 2.649 1.00 0.00 C -ATOM 272 HA PRO A 18 2.557 3.083 0.827 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.863 4.706 2.916 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.402 3.008 3.132 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.014 5.546 3.443 1.00 0.00 H -ATOM 276 HG3 PRO A 18 3.962 4.161 4.516 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.912 4.443 2.633 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.271 2.838 3.065 1.00 0.00 H -ATOM 279 N PRO A 19 1.420 5.389 0.147 1.00 0.00 N -ATOM 280 CA PRO A 19 0.934 6.590 -0.541 1.00 0.00 C -ATOM 281 C PRO A 19 0.630 7.773 0.396 1.00 0.00 C -ATOM 282 O PRO A 19 0.546 8.904 -0.075 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.347 6.136 -1.247 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.893 5.051 -0.317 1.00 0.00 C -ATOM 285 CD PRO A 19 0.371 4.378 0.209 1.00 0.00 C -ATOM 286 HA PRO A 19 1.659 6.921 -1.282 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.043 6.948 -1.342 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.093 5.696 -2.212 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.462 5.481 0.484 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.521 4.344 -0.854 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.226 4.052 1.221 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.641 3.547 -0.443 1.00 0.00 H -ATOM 293 N SER A 20 0.436 7.512 1.697 1.00 0.00 N -ATOM 294 CA SER A 20 0.332 8.504 2.776 1.00 0.00 C -ATOM 295 C SER A 20 1.687 8.700 3.451 1.00 0.00 C -ATOM 296 O SER A 20 2.070 9.878 3.606 1.00 0.00 O -ATOM 297 CB SER A 20 -0.673 8.043 3.830 1.00 0.00 C -ATOM 298 OG SER A 20 -1.935 7.948 3.212 1.00 0.00 O -ATOM 299 OXT SER A 20 2.277 7.664 3.828 1.00 0.00 O -ATOM 300 H SER A 20 0.578 6.559 1.993 1.00 0.00 H -ATOM 301 HA SER A 20 0.032 9.475 2.381 1.00 0.00 H -ATOM 302 HB2 SER A 20 -0.383 7.085 4.216 1.00 0.00 H -ATOM 303 HB3 SER A 20 -0.705 8.762 4.652 1.00 0.00 H -ATOM 304 HG SER A 20 -1.800 8.230 2.302 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 8 -ATOM 1 N ASN A 1 -8.769 4.941 0.058 1.00 0.00 N -ATOM 2 CA ASN A 1 -8.628 3.743 -0.810 1.00 0.00 C -ATOM 3 C ASN A 1 -7.194 3.417 -1.223 1.00 0.00 C -ATOM 4 O ASN A 1 -6.825 2.255 -1.104 1.00 0.00 O -ATOM 5 CB ASN A 1 -9.576 3.798 -2.012 1.00 0.00 C -ATOM 6 CG ASN A 1 -10.980 3.563 -1.485 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -11.581 4.475 -0.943 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -11.465 2.335 -1.495 1.00 0.00 N -ATOM 9 H1 ASN A 1 -8.177 4.864 0.873 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.539 5.782 -0.450 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.736 5.016 0.359 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.940 2.881 -0.218 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -9.516 4.760 -2.484 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -9.322 3.021 -2.735 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -10.980 1.548 -1.895 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -12.387 2.236 -1.101 1.00 0.00 H -ATOM 17 N LEU A 2 -6.386 4.385 -1.677 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.979 4.182 -2.071 1.00 0.00 C -ATOM 19 C LEU A 2 -4.170 3.301 -1.091 1.00 0.00 C -ATOM 20 O LEU A 2 -3.510 2.351 -1.513 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.298 5.547 -2.330 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.562 6.652 -1.277 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.311 7.480 -1.001 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -5.661 7.624 -1.728 1.00 0.00 C -ATOM 25 H LEU A 2 -6.742 5.314 -1.830 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.973 3.640 -3.018 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.239 5.382 -2.373 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -4.613 5.914 -3.308 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.870 6.194 -0.336 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -2.556 6.855 -0.534 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.907 7.891 -1.928 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.544 8.302 -0.323 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -5.277 8.270 -2.519 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -6.532 7.099 -2.108 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -5.957 8.251 -0.887 1.00 0.00 H -ATOM 36 N TYR A 3 -4.272 3.566 0.214 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.591 2.791 1.257 1.00 0.00 C -ATOM 38 C TYR A 3 -4.035 1.316 1.320 1.00 0.00 C -ATOM 39 O TYR A 3 -3.216 0.439 1.587 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.809 3.489 2.607 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.680 3.265 3.592 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.635 2.094 4.373 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.676 4.243 3.732 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.601 1.916 5.312 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.650 4.078 4.679 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.618 2.916 5.478 1.00 0.00 C -ATOM 47 OH TYR A 3 0.344 2.765 6.428 1.00 0.00 O -ATOM 48 H TYR A 3 -4.793 4.381 0.493 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.522 2.805 1.039 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.904 4.544 2.433 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.748 3.153 3.047 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.397 1.337 4.260 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.691 5.139 3.130 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.558 1.031 5.929 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.099 4.851 4.791 1.00 0.00 H -ATOM 56 HH TYR A 3 0.794 3.595 6.593 1.00 0.00 H -ATOM 57 N ILE A 4 -5.312 1.025 1.029 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.855 -0.341 0.979 1.00 0.00 C -ATOM 59 C ILE A 4 -5.188 -1.123 -0.163 1.00 0.00 C -ATOM 60 O ILE A 4 -4.740 -2.254 0.031 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.398 -0.328 0.820 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.143 0.621 1.794 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.976 -1.749 0.938 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -7.792 0.462 3.281 1.00 0.00 C -ATOM 65 H ILE A 4 -5.901 1.775 0.693 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.609 -0.846 1.915 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.635 0.015 -0.186 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -7.917 1.630 1.508 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -9.215 0.465 1.676 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.579 -2.387 0.147 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.724 -2.190 1.903 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.062 -1.721 0.834 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.711 -0.590 3.551 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -6.848 0.965 3.496 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.578 0.918 3.885 1.00 0.00 H -ATOM 76 N GLN A 5 -5.075 -0.498 -1.343 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.362 -1.071 -2.489 1.00 0.00 C -ATOM 78 C GLN A 5 -2.867 -1.283 -2.198 1.00 0.00 C -ATOM 79 O GLN A 5 -2.320 -2.311 -2.590 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.555 -0.198 -3.737 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.995 -0.248 -4.266 1.00 0.00 C -ATOM 82 CD GLN A 5 -6.126 0.517 -5.579 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.978 -0.031 -6.658 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -6.401 1.806 -5.540 1.00 0.00 N -ATOM 85 H GLN A 5 -5.445 0.441 -1.413 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.782 -2.057 -2.696 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.314 0.818 -3.488 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.891 -0.565 -4.522 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -6.273 -1.272 -4.428 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.680 0.175 -3.530 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -6.520 2.309 -4.682 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -6.457 2.229 -6.452 1.00 0.00 H -ATOM 93 N TRP A 6 -2.207 -0.362 -1.483 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.824 -0.567 -1.033 1.00 0.00 C -ATOM 95 C TRP A 6 -0.685 -1.753 -0.064 1.00 0.00 C -ATOM 96 O TRP A 6 0.203 -2.588 -0.244 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.276 0.722 -0.418 1.00 0.00 C -ATOM 98 CG TRP A 6 1.118 0.612 0.126 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.254 0.594 -0.609 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.544 0.501 1.519 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.347 0.461 0.227 1.00 0.00 N -ATOM 102 CE2 TRP A 6 2.967 0.413 1.548 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.878 0.488 2.764 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.697 0.331 2.741 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.600 0.402 3.971 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.004 0.331 3.961 1.00 0.00 C -ATOM 107 H TRP A 6 -2.689 0.503 -1.249 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.214 -0.807 -1.905 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.281 1.482 -1.175 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.933 1.043 0.389 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.293 0.681 -1.686 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.326 0.458 -0.069 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.200 0.564 2.787 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.776 0.281 2.705 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.071 0.411 4.914 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.548 0.291 4.893 1.00 0.00 H -ATOM 117 N LEU A 7 -1.580 -1.874 0.927 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.599 -3.031 1.829 1.00 0.00 C -ATOM 119 C LEU A 7 -1.786 -4.356 1.073 1.00 0.00 C -ATOM 120 O LEU A 7 -1.124 -5.333 1.422 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.674 -2.852 2.916 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.324 -1.798 3.986 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.552 -1.544 4.867 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.168 -2.243 4.890 1.00 0.00 C -ATOM 125 H LEU A 7 -2.270 -1.136 1.054 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.625 -3.099 2.308 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.588 -2.556 2.439 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.827 -3.808 3.419 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.045 -0.863 3.506 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.374 -1.176 4.252 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.856 -2.467 5.361 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.318 -0.796 5.624 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.414 -3.187 5.378 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.257 -2.363 4.309 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.985 -1.485 5.652 1.00 0.00 H -ATOM 136 N LYS A 8 -2.609 -4.385 0.009 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.835 -5.565 -0.847 1.00 0.00 C -ATOM 138 C LYS A 8 -1.558 -6.137 -1.482 1.00 0.00 C -ATOM 139 O LYS A 8 -1.510 -7.335 -1.746 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.872 -5.210 -1.927 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.472 -6.419 -2.672 1.00 0.00 C -ATOM 142 CD LYS A 8 -3.967 -6.562 -4.118 1.00 0.00 C -ATOM 143 CE LYS A 8 -4.912 -7.488 -4.895 1.00 0.00 C -ATOM 144 NZ LYS A 8 -4.381 -7.814 -6.240 1.00 0.00 N -ATOM 145 H LYS A 8 -3.146 -3.541 -0.174 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.247 -6.357 -0.218 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.675 -4.677 -1.456 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.417 -4.531 -2.647 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.216 -7.311 -2.133 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.554 -6.284 -2.697 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -3.944 -5.597 -4.587 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -2.954 -6.968 -4.111 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -5.039 -8.398 -4.342 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -5.879 -6.986 -4.990 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -4.156 -6.967 -6.745 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -3.540 -8.372 -6.153 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -5.066 -8.339 -6.770 1.00 0.00 H -ATOM 158 N ASP A 9 -0.531 -5.310 -1.709 1.00 0.00 N -ATOM 159 CA ASP A 9 0.782 -5.753 -2.199 1.00 0.00 C -ATOM 160 C ASP A 9 1.608 -6.478 -1.111 1.00 0.00 C -ATOM 161 O ASP A 9 2.514 -7.238 -1.445 1.00 0.00 O -ATOM 162 CB ASP A 9 1.552 -4.536 -2.756 1.00 0.00 C -ATOM 163 CG ASP A 9 2.243 -4.819 -4.098 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.520 -4.894 -5.114 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.496 -4.834 -4.151 1.00 0.00 O -ATOM 166 H ASP A 9 -0.652 -4.327 -1.493 1.00 0.00 H -ATOM 167 HA ASP A 9 0.624 -6.460 -3.016 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.860 -3.728 -2.893 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.281 -4.194 -2.021 1.00 0.00 H -ATOM 170 N GLY A 10 1.277 -6.270 0.176 1.00 0.00 N -ATOM 171 CA GLY A 10 2.025 -6.755 1.345 1.00 0.00 C -ATOM 172 C GLY A 10 2.511 -5.652 2.302 1.00 0.00 C -ATOM 173 O GLY A 10 3.330 -5.927 3.184 1.00 0.00 O -ATOM 174 H GLY A 10 0.421 -5.751 0.355 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.382 -7.428 1.912 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.898 -7.318 1.016 1.00 0.00 H -ATOM 177 N GLY A 11 2.061 -4.397 2.131 1.00 0.00 N -ATOM 178 CA GLY A 11 2.503 -3.261 2.946 1.00 0.00 C -ATOM 179 C GLY A 11 4.031 -3.074 2.887 1.00 0.00 C -ATOM 180 O GLY A 11 4.595 -3.162 1.791 1.00 0.00 O -ATOM 181 H GLY A 11 1.442 -4.219 1.351 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.030 -2.351 2.579 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.173 -3.433 3.969 1.00 0.00 H -ATOM 184 N PRO A 12 4.729 -2.844 4.022 1.00 0.00 N -ATOM 185 CA PRO A 12 6.186 -2.657 4.057 1.00 0.00 C -ATOM 186 C PRO A 12 7.000 -3.804 3.440 1.00 0.00 C -ATOM 187 O PRO A 12 8.098 -3.571 2.938 1.00 0.00 O -ATOM 188 CB PRO A 12 6.560 -2.503 5.537 1.00 0.00 C -ATOM 189 CG PRO A 12 5.258 -2.091 6.219 1.00 0.00 C -ATOM 190 CD PRO A 12 4.187 -2.773 5.373 1.00 0.00 C -ATOM 191 HA PRO A 12 6.428 -1.733 3.531 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.920 -3.432 5.936 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.339 -1.752 5.678 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.228 -2.441 7.233 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.143 -1.008 6.161 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.987 -3.759 5.747 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.262 -2.198 5.412 1.00 0.00 H -ATOM 198 N SER A 13 6.470 -5.035 3.441 1.00 0.00 N -ATOM 199 CA SER A 13 7.162 -6.235 2.936 1.00 0.00 C -ATOM 200 C SER A 13 7.153 -6.352 1.402 1.00 0.00 C -ATOM 201 O SER A 13 7.495 -7.398 0.861 1.00 0.00 O -ATOM 202 CB SER A 13 6.574 -7.490 3.595 1.00 0.00 C -ATOM 203 OG SER A 13 6.813 -7.451 4.988 1.00 0.00 O -ATOM 204 H SER A 13 5.505 -5.137 3.737 1.00 0.00 H -ATOM 205 HA SER A 13 8.211 -6.179 3.232 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.517 -7.526 3.415 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.054 -8.380 3.187 1.00 0.00 H -ATOM 208 HG SER A 13 6.443 -6.640 5.343 1.00 0.00 H -ATOM 209 N SER A 14 6.767 -5.279 0.701 1.00 0.00 N -ATOM 210 CA SER A 14 6.504 -5.245 -0.744 1.00 0.00 C -ATOM 211 C SER A 14 7.583 -4.513 -1.556 1.00 0.00 C -ATOM 212 O SER A 14 7.477 -4.434 -2.776 1.00 0.00 O -ATOM 213 CB SER A 14 5.171 -4.534 -0.999 1.00 0.00 C -ATOM 214 OG SER A 14 4.177 -4.877 -0.070 1.00 0.00 O -ATOM 215 H SER A 14 6.484 -4.475 1.245 1.00 0.00 H -ATOM 216 HA SER A 14 6.420 -6.264 -1.123 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.334 -3.475 -0.949 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.831 -4.746 -2.011 1.00 0.00 H -ATOM 219 HG SER A 14 4.259 -4.235 0.675 1.00 0.00 H -ATOM 220 N GLY A 15 8.589 -3.916 -0.899 1.00 0.00 N -ATOM 221 CA GLY A 15 9.628 -3.120 -1.568 1.00 0.00 C -ATOM 222 C GLY A 15 9.147 -1.769 -2.127 1.00 0.00 C -ATOM 223 O GLY A 15 9.811 -1.210 -2.995 1.00 0.00 O -ATOM 224 H GLY A 15 8.637 -4.053 0.102 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.434 -2.923 -0.862 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.042 -3.698 -2.394 1.00 0.00 H -ATOM 227 N ARG A 16 8.006 -1.245 -1.647 1.00 0.00 N -ATOM 228 CA ARG A 16 7.372 -0.003 -2.121 1.00 0.00 C -ATOM 229 C ARG A 16 6.899 0.883 -0.950 1.00 0.00 C -ATOM 230 O ARG A 16 6.250 0.369 -0.033 1.00 0.00 O -ATOM 231 CB ARG A 16 6.209 -0.320 -3.084 1.00 0.00 C -ATOM 232 CG ARG A 16 5.215 -1.352 -2.526 1.00 0.00 C -ATOM 233 CD ARG A 16 3.904 -1.443 -3.304 1.00 0.00 C -ATOM 234 NE ARG A 16 4.061 -2.274 -4.499 1.00 0.00 N -ATOM 235 CZ ARG A 16 3.904 -1.985 -5.776 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.635 -0.767 -6.189 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.003 -2.954 -6.651 1.00 0.00 N -ATOM 238 H ARG A 16 7.548 -1.757 -0.908 1.00 0.00 H -ATOM 239 HA ARG A 16 8.120 0.548 -2.691 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.677 0.590 -3.285 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.620 -0.712 -4.017 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.685 -2.316 -2.545 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.960 -1.114 -1.497 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.151 -1.874 -2.673 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.536 -0.446 -3.542 1.00 0.00 H -ATOM 246 HE ARG A 16 4.127 -3.284 -4.320 1.00 0.00 H -ATOM 247 HH11 ARG A 16 3.507 -0.060 -5.490 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.473 -0.577 -7.160 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.040 -3.895 -6.271 1.00 0.00 H -ATOM 250 HH22 ARG A 16 3.899 -2.795 -7.633 1.00 0.00 H -ATOM 251 N PRO A 17 7.166 2.205 -0.969 1.00 0.00 N -ATOM 252 CA PRO A 17 6.727 3.117 0.088 1.00 0.00 C -ATOM 253 C PRO A 17 5.195 3.304 0.088 1.00 0.00 C -ATOM 254 O PRO A 17 4.551 3.043 -0.934 1.00 0.00 O -ATOM 255 CB PRO A 17 7.460 4.433 -0.196 1.00 0.00 C -ATOM 256 CG PRO A 17 7.647 4.418 -1.712 1.00 0.00 C -ATOM 257 CD PRO A 17 7.865 2.938 -2.017 1.00 0.00 C -ATOM 258 HA PRO A 17 7.042 2.728 1.057 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.869 5.275 0.109 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.437 4.415 0.288 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.774 4.790 -2.212 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.499 5.023 -2.023 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.459 2.692 -2.979 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.930 2.705 -1.974 1.00 0.00 H -ATOM 265 N PRO A 18 4.598 3.763 1.206 1.00 0.00 N -ATOM 266 CA PRO A 18 3.160 4.002 1.296 1.00 0.00 C -ATOM 267 C PRO A 18 2.723 5.223 0.459 1.00 0.00 C -ATOM 268 O PRO A 18 3.486 6.180 0.323 1.00 0.00 O -ATOM 269 CB PRO A 18 2.870 4.209 2.786 1.00 0.00 C -ATOM 270 CG PRO A 18 4.187 4.765 3.327 1.00 0.00 C -ATOM 271 CD PRO A 18 5.239 4.048 2.482 1.00 0.00 C -ATOM 272 HA PRO A 18 2.639 3.111 0.954 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.070 4.910 2.928 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.665 3.246 3.253 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.242 5.828 3.190 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.310 4.556 4.389 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.095 4.679 2.337 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.518 3.109 2.962 1.00 0.00 H -ATOM 279 N PRO A 19 1.487 5.223 -0.081 1.00 0.00 N -ATOM 280 CA PRO A 19 0.954 6.306 -0.911 1.00 0.00 C -ATOM 281 C PRO A 19 0.318 7.463 -0.116 1.00 0.00 C -ATOM 282 O PRO A 19 -0.042 8.473 -0.718 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.097 5.617 -1.786 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.667 4.552 -0.849 1.00 0.00 C -ATOM 285 CD PRO A 19 0.572 4.092 -0.088 1.00 0.00 C -ATOM 286 HA PRO A 19 1.738 6.719 -1.548 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.857 6.308 -2.094 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.396 5.133 -2.632 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.398 4.970 -0.184 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.129 3.736 -1.404 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.311 3.818 0.916 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.042 3.271 -0.628 1.00 0.00 H -ATOM 293 N SER A 20 0.154 7.315 1.206 1.00 0.00 N -ATOM 294 CA SER A 20 -0.381 8.320 2.134 1.00 0.00 C -ATOM 295 C SER A 20 0.429 8.296 3.426 1.00 0.00 C -ATOM 296 O SER A 20 0.669 7.163 3.906 1.00 0.00 O -ATOM 297 CB SER A 20 -1.858 8.039 2.425 1.00 0.00 C -ATOM 298 OG SER A 20 -2.535 9.236 2.730 1.00 0.00 O -ATOM 299 OXT SER A 20 0.789 9.398 3.882 1.00 0.00 O -ATOM 300 H SER A 20 0.527 6.490 1.654 1.00 0.00 H -ATOM 301 HA SER A 20 -0.263 9.307 1.688 1.00 0.00 H -ATOM 302 HB2 SER A 20 -2.309 7.588 1.562 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.945 7.348 3.266 1.00 0.00 H -ATOM 304 HG SER A 20 -1.973 9.971 2.469 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 9 -ATOM 1 N ASN A 1 -6.355 7.914 0.576 1.00 0.00 N -ATOM 2 CA ASN A 1 -6.778 6.858 -0.378 1.00 0.00 C -ATOM 3 C ASN A 1 -5.549 6.028 -0.782 1.00 0.00 C -ATOM 4 O ASN A 1 -4.530 6.178 -0.119 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.563 7.460 -1.562 1.00 0.00 C -ATOM 6 CG ASN A 1 -8.448 6.400 -2.211 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -8.022 5.688 -3.104 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -9.658 6.188 -1.730 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.830 7.486 1.328 1.00 0.00 H -ATOM 10 H2 ASN A 1 -5.742 8.573 0.115 1.00 0.00 H -ATOM 11 H3 ASN A 1 -7.157 8.399 0.955 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.452 6.182 0.150 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.178 8.264 -1.206 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -6.872 7.865 -2.304 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -10.087 6.731 -1.001 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -10.166 5.465 -2.217 1.00 0.00 H -ATOM 17 N LEU A 2 -5.630 5.135 -1.783 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.587 4.213 -2.289 1.00 0.00 C -ATOM 19 C LEU A 2 -3.962 3.229 -1.269 1.00 0.00 C -ATOM 20 O LEU A 2 -3.407 2.204 -1.668 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.510 5.015 -3.058 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.772 5.277 -4.555 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.748 3.980 -5.372 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -5.076 6.028 -4.834 1.00 0.00 C -ATOM 25 H LEU A 2 -6.497 5.119 -2.318 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.078 3.561 -3.012 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.409 5.968 -2.575 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.567 4.475 -3.000 1.00 0.00 H -ATOM 29 HG LEU A 2 -2.952 5.903 -4.913 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -2.862 3.397 -5.120 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -4.638 3.385 -5.182 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.712 4.225 -6.435 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -5.932 5.392 -4.613 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -5.123 6.933 -4.230 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -5.117 6.307 -5.887 1.00 0.00 H -ATOM 36 N TYR A 3 -4.092 3.484 0.034 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.507 2.707 1.123 1.00 0.00 C -ATOM 38 C TYR A 3 -3.985 1.247 1.144 1.00 0.00 C -ATOM 39 O TYR A 3 -3.180 0.347 1.372 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.807 3.419 2.451 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.696 3.269 3.468 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.590 2.095 4.240 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.753 4.303 3.625 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.550 1.959 5.180 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.711 4.172 4.561 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.611 3.005 5.344 1.00 0.00 C -ATOM 47 OH TYR A 3 0.374 2.911 6.276 1.00 0.00 O -ATOM 48 H TYR A 3 -4.425 4.414 0.259 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.425 2.700 0.981 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.951 4.464 2.254 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.742 3.045 2.871 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.308 1.299 4.106 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.821 5.207 3.034 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.462 1.059 5.769 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.006 4.966 4.698 1.00 0.00 H -ATOM 56 HH TYR A 3 0.027 2.663 7.133 1.00 0.00 H -ATOM 57 N ILE A 4 -5.271 0.998 0.853 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.839 -0.354 0.750 1.00 0.00 C -ATOM 59 C ILE A 4 -5.129 -1.160 -0.354 1.00 0.00 C -ATOM 60 O ILE A 4 -4.715 -2.294 -0.121 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.375 -0.317 0.526 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.137 0.556 1.557 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.940 -1.748 0.590 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.425 1.981 1.063 1.00 0.00 C -ATOM 65 H ILE A 4 -5.872 1.793 0.698 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.651 -0.867 1.695 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.576 0.069 -0.474 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.072 0.079 1.780 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.585 0.601 2.497 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.504 -2.371 -0.192 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.727 -2.194 1.563 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.020 -1.731 0.437 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.512 2.575 1.038 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -8.867 1.949 0.066 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.137 2.458 1.739 1.00 0.00 H -ATOM 76 N GLN A 5 -4.949 -0.564 -1.544 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.210 -1.179 -2.650 1.00 0.00 C -ATOM 78 C GLN A 5 -2.730 -1.412 -2.309 1.00 0.00 C -ATOM 79 O GLN A 5 -2.180 -2.447 -2.679 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.326 -0.333 -3.929 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.654 -0.555 -4.672 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.597 0.001 -6.097 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.724 -0.323 -6.881 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -6.527 0.846 -6.499 1.00 0.00 N -ATOM 85 H GLN A 5 -5.256 0.391 -1.646 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.639 -2.162 -2.849 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.251 0.704 -3.662 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.512 -0.622 -4.596 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.858 -1.608 -4.716 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.466 -0.086 -4.117 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -7.297 1.142 -5.929 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -6.409 1.126 -7.459 1.00 0.00 H -ATOM 93 N TRP A 6 -2.081 -0.492 -1.584 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.717 -0.712 -1.094 1.00 0.00 C -ATOM 95 C TRP A 6 -0.634 -1.871 -0.083 1.00 0.00 C -ATOM 96 O TRP A 6 0.235 -2.738 -0.203 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.168 0.595 -0.511 1.00 0.00 C -ATOM 98 CG TRP A 6 1.222 0.490 0.032 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.356 0.444 -0.705 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.648 0.375 1.425 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.446 0.307 0.129 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.068 0.266 1.450 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.980 0.360 2.668 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.796 0.163 2.643 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.699 0.248 3.874 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.103 0.153 3.864 1.00 0.00 C -ATOM 107 H TRP A 6 -2.567 0.373 -1.361 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.089 -0.993 -1.940 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.171 1.336 -1.287 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.824 0.933 0.292 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.407 0.492 -1.782 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.421 0.258 -0.183 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.097 0.448 2.689 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.873 0.086 2.605 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.170 0.248 4.818 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.648 0.079 4.793 1.00 0.00 H -ATOM 117 N LEU A 7 -1.559 -1.927 0.884 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.650 -3.030 1.843 1.00 0.00 C -ATOM 119 C LEU A 7 -1.902 -4.384 1.166 1.00 0.00 C -ATOM 120 O LEU A 7 -1.269 -5.361 1.560 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.733 -2.741 2.896 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.320 -1.710 3.964 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.516 -1.453 4.886 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.139 -2.196 4.813 1.00 0.00 C -ATOM 125 H LEU A 7 -2.231 -1.165 0.952 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.687 -3.126 2.344 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.603 -2.370 2.390 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.981 -3.673 3.405 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.041 -0.773 3.487 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.353 -1.069 4.302 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.815 -2.379 5.378 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.251 -0.717 5.645 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.303 -3.225 5.133 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.219 -2.141 4.234 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -1.022 -1.564 5.694 1.00 0.00 H -ATOM 136 N LYS A 8 -2.764 -4.435 0.137 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.064 -5.639 -0.660 1.00 0.00 C -ATOM 138 C LYS A 8 -1.824 -6.358 -1.202 1.00 0.00 C -ATOM 139 O LYS A 8 -1.858 -7.580 -1.310 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.983 -5.265 -1.837 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.484 -5.361 -1.533 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.970 -6.821 -1.519 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.373 -6.934 -2.133 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.546 -8.214 -2.860 1.00 0.00 N -ATOM 145 H LYS A 8 -3.276 -3.581 -0.075 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.567 -6.365 -0.022 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.764 -4.255 -2.124 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.765 -5.907 -2.694 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.673 -4.922 -0.572 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -6.001 -4.816 -2.323 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.288 -7.424 -2.086 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.982 -7.196 -0.493 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -8.103 -6.877 -1.348 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.516 -6.106 -2.833 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -6.850 -8.287 -3.593 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.431 -8.996 -2.230 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -8.463 -8.259 -3.283 1.00 0.00 H -ATOM 158 N ASP A 9 -0.763 -5.623 -1.552 1.00 0.00 N -ATOM 159 CA ASP A 9 0.496 -6.197 -2.043 1.00 0.00 C -ATOM 160 C ASP A 9 1.282 -6.902 -0.920 1.00 0.00 C -ATOM 161 O ASP A 9 1.817 -7.991 -1.121 1.00 0.00 O -ATOM 162 CB ASP A 9 1.321 -5.072 -2.691 1.00 0.00 C -ATOM 163 CG ASP A 9 2.292 -5.605 -3.748 1.00 0.00 C -ATOM 164 OD1 ASP A 9 3.441 -5.927 -3.382 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.868 -5.659 -4.923 1.00 0.00 O -ATOM 166 H ASP A 9 -0.837 -4.618 -1.476 1.00 0.00 H -ATOM 167 HA ASP A 9 0.265 -6.940 -2.810 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.651 -4.376 -3.157 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.866 -4.522 -1.921 1.00 0.00 H -ATOM 170 N GLY A 10 1.295 -6.304 0.280 1.00 0.00 N -ATOM 171 CA GLY A 10 2.040 -6.794 1.445 1.00 0.00 C -ATOM 172 C GLY A 10 2.489 -5.723 2.455 1.00 0.00 C -ATOM 173 O GLY A 10 3.314 -6.013 3.317 1.00 0.00 O -ATOM 174 H GLY A 10 0.707 -5.487 0.357 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.418 -7.514 1.975 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.937 -7.314 1.102 1.00 0.00 H -ATOM 177 N GLY A 11 1.982 -4.483 2.376 1.00 0.00 N -ATOM 178 CA GLY A 11 2.428 -3.400 3.257 1.00 0.00 C -ATOM 179 C GLY A 11 3.939 -3.116 3.122 1.00 0.00 C -ATOM 180 O GLY A 11 4.431 -3.017 1.996 1.00 0.00 O -ATOM 181 H GLY A 11 1.270 -4.287 1.690 1.00 0.00 H -ATOM 182 HA2 GLY A 11 1.885 -2.490 3.006 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.184 -3.679 4.281 1.00 0.00 H -ATOM 184 N PRO A 12 4.698 -2.946 4.226 1.00 0.00 N -ATOM 185 CA PRO A 12 6.130 -2.631 4.172 1.00 0.00 C -ATOM 186 C PRO A 12 7.010 -3.666 3.454 1.00 0.00 C -ATOM 187 O PRO A 12 8.063 -3.297 2.936 1.00 0.00 O -ATOM 188 CB PRO A 12 6.588 -2.475 5.628 1.00 0.00 C -ATOM 189 CG PRO A 12 5.303 -2.191 6.399 1.00 0.00 C -ATOM 190 CD PRO A 12 4.243 -2.957 5.611 1.00 0.00 C -ATOM 191 HA PRO A 12 6.248 -1.673 3.664 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.051 -3.377 5.980 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.305 -1.661 5.732 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.371 -2.555 7.406 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.086 -1.123 6.366 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.164 -3.965 5.971 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.275 -2.469 5.727 1.00 0.00 H -ATOM 198 N SER A 13 6.616 -4.948 3.398 1.00 0.00 N -ATOM 199 CA SER A 13 7.425 -6.010 2.779 1.00 0.00 C -ATOM 200 C SER A 13 7.282 -6.083 1.247 1.00 0.00 C -ATOM 201 O SER A 13 7.825 -6.993 0.624 1.00 0.00 O -ATOM 202 CB SER A 13 7.160 -7.358 3.464 1.00 0.00 C -ATOM 203 OG SER A 13 5.803 -7.725 3.370 1.00 0.00 O -ATOM 204 H SER A 13 5.705 -5.222 3.755 1.00 0.00 H -ATOM 205 HA SER A 13 8.474 -5.782 2.964 1.00 0.00 H -ATOM 206 HB2 SER A 13 7.759 -8.113 2.992 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.430 -7.277 4.519 1.00 0.00 H -ATOM 208 HG SER A 13 5.735 -8.681 3.298 1.00 0.00 H -ATOM 209 N SER A 14 6.606 -5.101 0.635 1.00 0.00 N -ATOM 210 CA SER A 14 6.348 -4.975 -0.808 1.00 0.00 C -ATOM 211 C SER A 14 7.404 -4.162 -1.577 1.00 0.00 C -ATOM 212 O SER A 14 7.289 -3.990 -2.790 1.00 0.00 O -ATOM 213 CB SER A 14 5.008 -4.262 -1.007 1.00 0.00 C -ATOM 214 OG SER A 14 4.002 -4.863 -0.226 1.00 0.00 O -ATOM 215 H SER A 14 6.121 -4.441 1.233 1.00 0.00 H -ATOM 216 HA SER A 14 6.278 -5.969 -1.254 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.110 -3.234 -0.719 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.727 -4.291 -2.059 1.00 0.00 H -ATOM 219 HG SER A 14 3.353 -4.187 -0.015 1.00 0.00 H -ATOM 220 N GLY A 15 8.395 -3.574 -0.897 1.00 0.00 N -ATOM 221 CA GLY A 15 9.449 -2.750 -1.509 1.00 0.00 C -ATOM 222 C GLY A 15 9.021 -1.317 -1.874 1.00 0.00 C -ATOM 223 O GLY A 15 9.808 -0.389 -1.697 1.00 0.00 O -ATOM 224 H GLY A 15 8.410 -3.718 0.104 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.294 -2.689 -0.823 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.796 -3.237 -2.420 1.00 0.00 H -ATOM 227 N ARG A 16 7.790 -1.115 -2.367 1.00 0.00 N -ATOM 228 CA ARG A 16 7.218 0.212 -2.656 1.00 0.00 C -ATOM 229 C ARG A 16 6.821 0.946 -1.353 1.00 0.00 C -ATOM 230 O ARG A 16 6.154 0.335 -0.515 1.00 0.00 O -ATOM 231 CB ARG A 16 6.002 0.046 -3.589 1.00 0.00 C -ATOM 232 CG ARG A 16 5.399 1.393 -4.024 1.00 0.00 C -ATOM 233 CD ARG A 16 4.125 1.223 -4.857 1.00 0.00 C -ATOM 234 NE ARG A 16 3.497 2.535 -5.114 1.00 0.00 N -ATOM 235 CZ ARG A 16 2.320 2.983 -4.685 1.00 0.00 C -ATOM 236 NH1 ARG A 16 1.482 2.226 -4.014 1.00 0.00 N -ATOM 237 NH2 ARG A 16 1.953 4.216 -4.940 1.00 0.00 N -ATOM 238 H ARG A 16 7.238 -1.952 -2.530 1.00 0.00 H -ATOM 239 HA ARG A 16 7.984 0.787 -3.176 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.312 -0.490 -4.465 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.238 -0.540 -3.076 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.163 1.964 -3.147 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.135 1.947 -4.608 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.374 0.761 -5.793 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.445 0.561 -4.322 1.00 0.00 H -ATOM 246 HE ARG A 16 4.053 3.192 -5.635 1.00 0.00 H -ATOM 247 HH11 ARG A 16 1.728 1.264 -3.884 1.00 0.00 H -ATOM 248 HH12 ARG A 16 0.601 2.578 -3.692 1.00 0.00 H -ATOM 249 HH21 ARG A 16 2.560 4.835 -5.449 1.00 0.00 H -ATOM 250 HH22 ARG A 16 1.060 4.549 -4.627 1.00 0.00 H -ATOM 251 N PRO A 17 7.132 2.251 -1.190 1.00 0.00 N -ATOM 252 CA PRO A 17 6.721 3.035 -0.016 1.00 0.00 C -ATOM 253 C PRO A 17 5.194 3.259 0.062 1.00 0.00 C -ATOM 254 O PRO A 17 4.507 3.162 -0.959 1.00 0.00 O -ATOM 255 CB PRO A 17 7.473 4.368 -0.143 1.00 0.00 C -ATOM 256 CG PRO A 17 7.674 4.523 -1.648 1.00 0.00 C -ATOM 257 CD PRO A 17 7.904 3.085 -2.103 1.00 0.00 C -ATOM 258 HA PRO A 17 7.053 2.520 0.885 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.889 5.177 0.251 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.446 4.287 0.346 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.803 4.942 -2.114 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.524 5.165 -1.882 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.561 2.953 -3.111 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.962 2.836 -2.011 1.00 0.00 H -ATOM 265 N PRO A 18 4.651 3.589 1.252 1.00 0.00 N -ATOM 266 CA PRO A 18 3.222 3.833 1.437 1.00 0.00 C -ATOM 267 C PRO A 18 2.772 5.142 0.759 1.00 0.00 C -ATOM 268 O PRO A 18 3.480 6.148 0.843 1.00 0.00 O -ATOM 269 CB PRO A 18 3.004 3.890 2.953 1.00 0.00 C -ATOM 270 CG PRO A 18 4.356 4.348 3.494 1.00 0.00 C -ATOM 271 CD PRO A 18 5.355 3.724 2.520 1.00 0.00 C -ATOM 272 HA PRO A 18 2.669 2.988 1.034 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.233 4.593 3.203 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.784 2.892 3.327 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.430 5.418 3.487 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.520 4.003 4.516 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.211 4.361 2.405 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.649 2.736 2.877 1.00 0.00 H -ATOM 279 N PRO A 19 1.591 5.165 0.108 1.00 0.00 N -ATOM 280 CA PRO A 19 1.031 6.371 -0.488 1.00 0.00 C -ATOM 281 C PRO A 19 0.380 7.262 0.584 1.00 0.00 C -ATOM 282 O PRO A 19 -0.321 6.767 1.470 1.00 0.00 O -ATOM 283 CB PRO A 19 0.009 5.859 -1.504 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.512 4.571 -0.862 1.00 0.00 C -ATOM 285 CD PRO A 19 0.696 4.034 -0.095 1.00 0.00 C -ATOM 286 HA PRO A 19 1.809 6.936 -1.005 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.784 6.568 -1.642 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.521 5.617 -2.437 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.327 4.778 -0.196 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.847 3.854 -1.611 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.386 3.632 0.850 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.206 3.279 -0.693 1.00 0.00 H -ATOM 293 N SER A 20 0.592 8.578 0.472 1.00 0.00 N -ATOM 294 CA SER A 20 0.019 9.620 1.329 1.00 0.00 C -ATOM 295 C SER A 20 -0.235 10.875 0.498 1.00 0.00 C -ATOM 296 O SER A 20 0.745 11.327 -0.137 1.00 0.00 O -ATOM 297 CB SER A 20 0.977 9.898 2.490 1.00 0.00 C -ATOM 298 OG SER A 20 0.308 10.641 3.489 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.409 11.298 0.440 1.00 0.00 O -ATOM 300 H SER A 20 1.168 8.935 -0.278 1.00 0.00 H -ATOM 301 HA SER A 20 -0.939 9.293 1.731 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.316 8.968 2.904 1.00 0.00 H -ATOM 303 HB3 SER A 20 1.845 10.449 2.120 1.00 0.00 H -ATOM 304 HG SER A 20 0.955 10.989 4.106 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 10 -ATOM 1 N ASN A 1 -6.943 6.963 0.951 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.689 6.240 -0.107 1.00 0.00 C -ATOM 3 C ASN A 1 -6.888 5.124 -0.770 1.00 0.00 C -ATOM 4 O ASN A 1 -7.377 4.006 -0.773 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.340 7.202 -1.116 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.413 8.048 -0.430 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -9.573 7.981 0.781 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -10.146 8.872 -1.153 1.00 0.00 N -ATOM 9 H1 ASN A 1 -6.551 6.315 1.619 1.00 0.00 H -ATOM 10 H2 ASN A 1 -6.210 7.532 0.552 1.00 0.00 H -ATOM 11 H3 ASN A 1 -7.600 7.571 1.435 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.514 5.723 0.389 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -7.587 7.849 -1.524 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.816 6.622 -1.909 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -10.039 8.989 -2.148 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -10.843 9.380 -0.632 1.00 0.00 H -ATOM 17 N LEU A 2 -5.683 5.360 -1.308 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.939 4.305 -2.022 1.00 0.00 C -ATOM 19 C LEU A 2 -4.268 3.260 -1.097 1.00 0.00 C -ATOM 20 O LEU A 2 -3.716 2.270 -1.573 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.943 4.985 -2.983 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.510 4.134 -4.197 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.689 3.815 -5.127 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -2.467 4.910 -5.004 1.00 0.00 C -ATOM 25 H LEU A 2 -5.289 6.289 -1.343 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.665 3.756 -2.620 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.400 5.882 -3.353 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.059 5.272 -2.417 1.00 0.00 H -ATOM 29 HG LEU A 2 -3.055 3.203 -3.864 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -5.375 3.120 -4.648 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -5.221 4.730 -5.390 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.321 3.345 -6.040 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.887 5.852 -5.359 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -1.596 5.115 -4.384 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -2.147 4.317 -5.861 1.00 0.00 H -ATOM 36 N TYR A 3 -4.340 3.443 0.228 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.683 2.595 1.228 1.00 0.00 C -ATOM 38 C TYR A 3 -4.096 1.115 1.160 1.00 0.00 C -ATOM 39 O TYR A 3 -3.266 0.248 1.427 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.925 3.179 2.630 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.760 2.970 3.580 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -1.680 3.874 3.561 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -2.753 1.884 4.475 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -0.588 3.691 4.430 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -1.662 1.698 5.348 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.577 2.599 5.325 1.00 0.00 C -ATOM 47 OH TYR A 3 0.476 2.408 6.162 1.00 0.00 O -ATOM 48 H TYR A 3 -4.813 4.268 0.548 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.609 2.637 1.035 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.100 4.233 2.534 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.832 2.746 3.057 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -1.686 4.718 2.886 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -3.582 1.193 4.494 1.00 0.00 H -ATOM 54 HE1 TYR A 3 0.229 4.396 4.422 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -1.639 0.873 6.042 1.00 0.00 H -ATOM 56 HH TYR A 3 1.215 2.981 5.950 1.00 0.00 H -ATOM 57 N ILE A 4 -5.333 0.810 0.732 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.790 -0.565 0.464 1.00 0.00 C -ATOM 59 C ILE A 4 -4.909 -1.223 -0.610 1.00 0.00 C -ATOM 60 O ILE A 4 -4.439 -2.342 -0.417 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.285 -0.604 0.049 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.234 0.069 1.074 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.764 -2.056 -0.139 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.662 1.477 0.657 1.00 0.00 C -ATOM 65 H ILE A 4 -5.959 1.576 0.529 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.679 -1.148 1.381 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.388 -0.102 -0.916 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.112 -0.539 1.177 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.760 0.113 2.055 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.127 -2.599 -0.836 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.772 -2.577 0.819 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.776 -2.054 -0.550 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.813 2.149 0.745 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.034 1.472 -0.368 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.458 1.827 1.316 1.00 0.00 H -ATOM 76 N GLN A 5 -4.664 -0.521 -1.727 1.00 0.00 N -ATOM 77 CA GLN A 5 -3.843 -0.981 -2.852 1.00 0.00 C -ATOM 78 C GLN A 5 -2.374 -1.203 -2.455 1.00 0.00 C -ATOM 79 O GLN A 5 -1.735 -2.102 -2.996 1.00 0.00 O -ATOM 80 CB GLN A 5 -3.966 0.016 -4.026 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.731 -0.540 -5.248 1.00 0.00 C -ATOM 82 CD GLN A 5 -3.839 -0.991 -6.408 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -2.801 -0.426 -6.704 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -4.226 -2.006 -7.158 1.00 0.00 N -ATOM 85 H GLN A 5 -4.986 0.437 -1.755 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.229 -1.945 -3.174 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.481 0.889 -3.674 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -2.974 0.357 -4.328 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.311 -1.383 -4.925 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.374 0.252 -5.631 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -5.133 -2.431 -7.060 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -3.683 -2.060 -8.004 1.00 0.00 H -ATOM 93 N TRP A 6 -1.859 -0.430 -1.488 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.534 -0.641 -0.897 1.00 0.00 C -ATOM 95 C TRP A 6 -0.505 -1.815 0.100 1.00 0.00 C -ATOM 96 O TRP A 6 0.412 -2.635 0.060 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.068 0.666 -0.245 1.00 0.00 C -ATOM 98 CG TRP A 6 1.303 0.611 0.356 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.468 0.703 -0.325 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.674 0.434 1.758 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.528 0.564 0.550 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.097 0.425 1.849 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.953 0.284 2.960 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.775 0.299 3.069 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.622 0.134 4.190 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.026 0.159 4.250 1.00 0.00 C -ATOM 107 H TRP A 6 -2.448 0.312 -1.131 1.00 0.00 H -ATOM 108 HA TRP A 6 0.169 -0.885 -1.694 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.074 1.434 -0.994 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.776 0.954 0.532 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.556 0.855 -1.394 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.512 0.575 0.270 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.126 0.291 2.931 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.854 0.309 3.090 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.050 0.016 5.100 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.527 0.067 5.203 1.00 0.00 H -ATOM 117 N LEU A 7 -1.510 -1.935 0.978 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.599 -3.048 1.926 1.00 0.00 C -ATOM 119 C LEU A 7 -1.809 -4.403 1.239 1.00 0.00 C -ATOM 120 O LEU A 7 -1.124 -5.355 1.613 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.699 -2.798 2.974 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.286 -1.852 4.119 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.491 -1.640 5.038 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.140 -2.415 4.972 1.00 0.00 C -ATOM 125 H LEU A 7 -2.224 -1.210 1.007 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.640 -3.131 2.434 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.547 -2.370 2.475 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.977 -3.755 3.419 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.983 -0.891 3.707 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.312 -1.199 4.473 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.814 -2.592 5.458 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.224 -0.969 5.855 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.389 -3.418 5.318 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.217 -2.452 4.397 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.968 -1.773 5.834 1.00 0.00 H -ATOM 136 N LYS A 8 -2.697 -4.510 0.235 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.957 -5.783 -0.469 1.00 0.00 C -ATOM 138 C LYS A 8 -1.729 -6.374 -1.170 1.00 0.00 C -ATOM 139 O LYS A 8 -1.710 -7.566 -1.460 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.168 -5.663 -1.419 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.006 -4.746 -2.644 1.00 0.00 C -ATOM 142 CD LYS A 8 -3.193 -5.323 -3.812 1.00 0.00 C -ATOM 143 CE LYS A 8 -3.386 -4.457 -5.061 1.00 0.00 C -ATOM 144 NZ LYS A 8 -2.231 -4.566 -5.977 1.00 0.00 N -ATOM 145 H LYS A 8 -3.247 -3.686 -0.007 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.228 -6.519 0.290 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.396 -6.648 -1.779 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -5.007 -5.283 -0.833 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.987 -4.511 -3.011 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -3.534 -3.825 -2.321 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -2.153 -5.339 -3.548 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -3.497 -6.350 -4.023 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -4.271 -4.779 -5.575 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -3.483 -3.417 -4.746 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -1.362 -4.377 -5.451 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -2.123 -5.504 -6.333 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -2.292 -3.898 -6.731 1.00 0.00 H -ATOM 158 N ASP A 9 -0.707 -5.552 -1.426 1.00 0.00 N -ATOM 159 CA ASP A 9 0.589 -5.960 -1.966 1.00 0.00 C -ATOM 160 C ASP A 9 1.516 -6.588 -0.906 1.00 0.00 C -ATOM 161 O ASP A 9 2.485 -7.250 -1.274 1.00 0.00 O -ATOM 162 CB ASP A 9 1.253 -4.722 -2.594 1.00 0.00 C -ATOM 163 CG ASP A 9 1.159 -4.718 -4.115 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.038 -4.607 -4.656 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.240 -4.782 -4.738 1.00 0.00 O -ATOM 166 H ASP A 9 -0.829 -4.576 -1.196 1.00 0.00 H -ATOM 167 HA ASP A 9 0.438 -6.713 -2.742 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.768 -3.843 -2.217 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.307 -4.701 -2.323 1.00 0.00 H -ATOM 170 N GLY A 10 1.212 -6.406 0.389 1.00 0.00 N -ATOM 171 CA GLY A 10 2.037 -6.837 1.523 1.00 0.00 C -ATOM 172 C GLY A 10 2.524 -5.698 2.431 1.00 0.00 C -ATOM 173 O GLY A 10 3.335 -5.946 3.326 1.00 0.00 O -ATOM 174 H GLY A 10 0.334 -5.944 0.606 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.452 -7.525 2.133 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.916 -7.372 1.161 1.00 0.00 H -ATOM 177 N GLY A 11 2.079 -4.450 2.212 1.00 0.00 N -ATOM 178 CA GLY A 11 2.527 -3.280 2.968 1.00 0.00 C -ATOM 179 C GLY A 11 4.060 -3.125 2.939 1.00 0.00 C -ATOM 180 O GLY A 11 4.630 -3.169 1.842 1.00 0.00 O -ATOM 181 H GLY A 11 1.473 -4.294 1.414 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.088 -2.385 2.527 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.161 -3.373 3.989 1.00 0.00 H -ATOM 184 N PRO A 12 4.753 -2.971 4.089 1.00 0.00 N -ATOM 185 CA PRO A 12 6.211 -2.791 4.140 1.00 0.00 C -ATOM 186 C PRO A 12 7.014 -3.874 3.403 1.00 0.00 C -ATOM 187 O PRO A 12 8.041 -3.574 2.797 1.00 0.00 O -ATOM 188 CB PRO A 12 6.582 -2.768 5.628 1.00 0.00 C -ATOM 189 CG PRO A 12 5.287 -2.370 6.329 1.00 0.00 C -ATOM 190 CD PRO A 12 4.205 -2.974 5.438 1.00 0.00 C -ATOM 191 HA PRO A 12 6.452 -1.822 3.699 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.909 -3.736 5.954 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.381 -2.053 5.830 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.244 -2.782 7.319 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.193 -1.282 6.336 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.982 -3.977 5.748 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.295 -2.381 5.511 1.00 0.00 H -ATOM 198 N SER A 13 6.533 -5.123 3.409 1.00 0.00 N -ATOM 199 CA SER A 13 7.187 -6.275 2.772 1.00 0.00 C -ATOM 200 C SER A 13 7.064 -6.297 1.237 1.00 0.00 C -ATOM 201 O SER A 13 7.472 -7.272 0.612 1.00 0.00 O -ATOM 202 CB SER A 13 6.637 -7.571 3.386 1.00 0.00 C -ATOM 203 OG SER A 13 6.985 -7.634 4.757 1.00 0.00 O -ATOM 204 H SER A 13 5.655 -5.302 3.884 1.00 0.00 H -ATOM 205 HA SER A 13 8.253 -6.230 2.991 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.569 -7.587 3.288 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.058 -8.437 2.875 1.00 0.00 H -ATOM 208 HG SER A 13 7.938 -7.738 4.830 1.00 0.00 H -ATOM 209 N SER A 14 6.524 -5.234 0.624 1.00 0.00 N -ATOM 210 CA SER A 14 6.244 -5.155 -0.818 1.00 0.00 C -ATOM 211 C SER A 14 7.352 -4.486 -1.642 1.00 0.00 C -ATOM 212 O SER A 14 7.292 -4.512 -2.869 1.00 0.00 O -ATOM 213 CB SER A 14 4.956 -4.361 -1.069 1.00 0.00 C -ATOM 214 OG SER A 14 3.953 -4.634 -0.126 1.00 0.00 O -ATOM 215 H SER A 14 6.200 -4.481 1.217 1.00 0.00 H -ATOM 216 HA SER A 14 6.093 -6.164 -1.206 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.186 -3.314 -1.030 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.589 -4.586 -2.070 1.00 0.00 H -ATOM 219 HG SER A 14 4.150 -4.078 0.666 1.00 0.00 H -ATOM 220 N GLY A 15 8.336 -3.840 -0.998 1.00 0.00 N -ATOM 221 CA GLY A 15 9.395 -3.094 -1.693 1.00 0.00 C -ATOM 222 C GLY A 15 8.943 -1.756 -2.301 1.00 0.00 C -ATOM 223 O GLY A 15 9.512 -1.327 -3.303 1.00 0.00 O -ATOM 224 H GLY A 15 8.352 -3.897 0.012 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.206 -2.893 -0.996 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.795 -3.712 -2.500 1.00 0.00 H -ATOM 227 N ARG A 16 7.916 -1.105 -1.732 1.00 0.00 N -ATOM 228 CA ARG A 16 7.364 0.181 -2.198 1.00 0.00 C -ATOM 229 C ARG A 16 6.867 1.046 -1.024 1.00 0.00 C -ATOM 230 O ARG A 16 6.262 0.497 -0.098 1.00 0.00 O -ATOM 231 CB ARG A 16 6.251 -0.057 -3.241 1.00 0.00 C -ATOM 232 CG ARG A 16 5.161 -1.058 -2.811 1.00 0.00 C -ATOM 233 CD ARG A 16 4.134 -1.346 -3.924 1.00 0.00 C -ATOM 234 NE ARG A 16 4.103 -2.766 -4.336 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.054 -3.492 -4.909 1.00 0.00 C -ATOM 236 NH1 ARG A 16 6.220 -2.996 -5.246 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.821 -4.753 -5.163 1.00 0.00 N -ATOM 238 H ARG A 16 7.511 -1.511 -0.898 1.00 0.00 H -ATOM 239 HA ARG A 16 8.172 0.718 -2.695 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.778 0.884 -3.444 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.725 -0.430 -4.149 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.634 -1.981 -2.535 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.637 -0.670 -1.938 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.159 -1.073 -3.568 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.340 -0.723 -4.795 1.00 0.00 H -ATOM 246 HE ARG A 16 3.238 -3.299 -4.232 1.00 0.00 H -ATOM 247 HH11 ARG A 16 6.407 -2.037 -5.038 1.00 0.00 H -ATOM 248 HH12 ARG A 16 6.943 -3.615 -5.560 1.00 0.00 H -ATOM 249 HH21 ARG A 16 3.839 -5.043 -5.009 1.00 0.00 H -ATOM 250 HH22 ARG A 16 5.505 -5.381 -5.529 1.00 0.00 H -ATOM 251 N PRO A 17 7.083 2.378 -1.045 1.00 0.00 N -ATOM 252 CA PRO A 17 6.638 3.277 0.023 1.00 0.00 C -ATOM 253 C PRO A 17 5.104 3.442 0.035 1.00 0.00 C -ATOM 254 O PRO A 17 4.455 3.170 -0.978 1.00 0.00 O -ATOM 255 CB PRO A 17 7.343 4.610 -0.260 1.00 0.00 C -ATOM 256 CG PRO A 17 7.496 4.611 -1.779 1.00 0.00 C -ATOM 257 CD PRO A 17 7.741 3.138 -2.101 1.00 0.00 C -ATOM 258 HA PRO A 17 6.968 2.888 0.986 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.744 5.438 0.067 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.332 4.604 0.204 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.603 4.967 -2.256 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.328 5.240 -2.103 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.319 2.890 -3.056 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.812 2.932 -2.083 1.00 0.00 H -ATOM 265 N PRO A 18 4.512 3.890 1.161 1.00 0.00 N -ATOM 266 CA PRO A 18 3.074 4.111 1.260 1.00 0.00 C -ATOM 267 C PRO A 18 2.616 5.335 0.440 1.00 0.00 C -ATOM 268 O PRO A 18 3.395 6.265 0.230 1.00 0.00 O -ATOM 269 CB PRO A 18 2.796 4.301 2.754 1.00 0.00 C -ATOM 270 CG PRO A 18 4.105 4.879 3.287 1.00 0.00 C -ATOM 271 CD PRO A 18 5.162 4.183 2.431 1.00 0.00 C -ATOM 272 HA PRO A 18 2.556 3.220 0.910 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.983 4.984 2.910 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.610 3.329 3.214 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.140 5.943 3.153 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.240 4.666 4.348 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.005 4.829 2.279 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.463 3.249 2.906 1.00 0.00 H -ATOM 279 N PRO A 19 1.341 5.370 0.004 1.00 0.00 N -ATOM 280 CA PRO A 19 0.777 6.481 -0.754 1.00 0.00 C -ATOM 281 C PRO A 19 0.447 7.673 0.157 1.00 0.00 C -ATOM 282 O PRO A 19 -0.482 7.605 0.965 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.466 5.904 -1.437 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.933 4.811 -0.475 1.00 0.00 C -ATOM 285 CD PRO A 19 0.371 4.292 0.127 1.00 0.00 C -ATOM 286 HA PRO A 19 1.481 6.804 -1.523 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.221 6.657 -1.557 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.172 5.448 -2.384 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.573 5.216 0.285 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.468 4.019 -0.996 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.227 4.038 1.160 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.725 3.441 -0.450 1.00 0.00 H -ATOM 293 N SER A 20 1.209 8.762 0.004 1.00 0.00 N -ATOM 294 CA SER A 20 1.059 10.038 0.716 1.00 0.00 C -ATOM 295 C SER A 20 1.217 11.216 -0.248 1.00 0.00 C -ATOM 296 O SER A 20 2.389 11.403 -0.664 1.00 0.00 O -ATOM 297 CB SER A 20 2.098 10.115 1.845 1.00 0.00 C -ATOM 298 OG SER A 20 3.359 10.263 1.230 1.00 0.00 O -ATOM 299 OXT SER A 20 0.202 11.886 -0.520 1.00 0.00 O -ATOM 300 H SER A 20 1.991 8.709 -0.634 1.00 0.00 H -ATOM 301 HA SER A 20 0.060 10.107 1.146 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.894 10.958 2.477 1.00 0.00 H -ATOM 303 HB3 SER A 20 2.070 9.211 2.456 1.00 0.00 H -ATOM 304 HG SER A 20 3.120 10.769 0.374 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 11 -ATOM 1 N ASN A 1 -6.688 7.436 -0.473 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.529 6.238 -0.712 1.00 0.00 C -ATOM 3 C ASN A 1 -6.749 5.006 -1.210 1.00 0.00 C -ATOM 4 O ASN A 1 -7.279 3.906 -1.158 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.713 6.573 -1.639 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.880 5.632 -1.366 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -10.413 5.629 -0.269 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -10.300 4.816 -2.315 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.936 7.221 0.168 1.00 0.00 H -ATOM 10 H2 ASN A 1 -6.305 7.780 -1.344 1.00 0.00 H -ATOM 11 H3 ASN A 1 -7.252 8.169 -0.065 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.963 5.944 0.246 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -9.025 7.584 -1.463 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.412 6.523 -2.686 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -9.869 4.743 -3.220 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -11.067 4.224 -2.039 1.00 0.00 H -ATOM 17 N LEU A 2 -5.494 5.147 -1.665 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.691 4.051 -2.237 1.00 0.00 C -ATOM 19 C LEU A 2 -4.046 3.125 -1.181 1.00 0.00 C -ATOM 20 O LEU A 2 -3.429 2.120 -1.531 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.615 4.692 -3.131 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.196 5.327 -4.413 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.432 6.605 -4.768 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -4.134 4.351 -5.589 1.00 0.00 C -ATOM 25 H LEU A 2 -5.038 6.044 -1.695 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.328 3.419 -2.859 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.113 5.455 -2.568 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.872 3.942 -3.409 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.238 5.607 -4.254 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -3.529 7.331 -3.961 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.377 6.382 -4.926 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.850 7.041 -5.676 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -3.107 4.029 -5.760 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -4.756 3.481 -5.378 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -4.508 4.834 -6.491 1.00 0.00 H -ATOM 36 N TYR A 3 -4.195 3.445 0.111 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.594 2.700 1.221 1.00 0.00 C -ATOM 38 C TYR A 3 -4.029 1.227 1.239 1.00 0.00 C -ATOM 39 O TYR A 3 -3.224 0.352 1.545 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.934 3.395 2.550 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.766 3.426 3.514 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.442 2.278 4.260 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.987 4.594 3.643 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.344 2.291 5.138 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.891 4.614 4.527 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.566 3.461 5.272 1.00 0.00 C -ATOM 47 OH TYR A 3 0.481 3.472 6.138 1.00 0.00 O -ATOM 48 H TYR A 3 -4.719 4.274 0.329 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.512 2.721 1.090 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.233 4.404 2.342 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.777 2.889 3.026 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.039 1.385 4.148 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -2.219 5.478 3.065 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.086 1.416 5.715 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.292 5.509 4.627 1.00 0.00 H -ATOM 56 HH TYR A 3 0.250 3.913 6.958 1.00 0.00 H -ATOM 57 N ILE A 4 -5.286 0.955 0.858 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.847 -0.393 0.739 1.00 0.00 C -ATOM 59 C ILE A 4 -5.076 -1.179 -0.327 1.00 0.00 C -ATOM 60 O ILE A 4 -4.596 -2.269 -0.040 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.361 -0.341 0.420 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.160 0.545 1.415 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.962 -1.760 0.413 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.201 1.423 0.710 1.00 0.00 C -ATOM 65 H ILE A 4 -5.875 1.740 0.624 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.714 -0.910 1.692 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.471 0.071 -0.583 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.664 -0.092 2.116 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.498 1.210 1.968 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.462 -2.390 -0.323 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.853 -2.219 1.398 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.022 -1.713 0.159 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -8.755 1.914 -0.157 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -10.046 0.816 0.386 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.552 2.192 1.399 1.00 0.00 H -ATOM 76 N GLN A 5 -4.908 -0.611 -1.532 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.116 -1.188 -2.627 1.00 0.00 C -ATOM 78 C GLN A 5 -2.676 -1.485 -2.194 1.00 0.00 C -ATOM 79 O GLN A 5 -2.183 -2.586 -2.432 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.133 -0.239 -3.843 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.217 -0.612 -4.859 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.369 0.472 -5.923 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -6.272 1.289 -5.876 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -4.484 0.535 -6.899 1.00 0.00 N -ATOM 85 H GLN A 5 -5.264 0.324 -1.655 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.559 -2.141 -2.917 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.314 0.761 -3.498 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.168 -0.273 -4.350 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -4.948 -1.535 -5.335 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.173 -0.735 -4.347 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -3.716 -0.109 -6.984 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -4.657 1.272 -7.562 1.00 0.00 H -ATOM 93 N TRP A 6 -2.015 -0.526 -1.535 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.661 -0.714 -1.009 1.00 0.00 C -ATOM 95 C TRP A 6 -0.581 -1.833 0.042 1.00 0.00 C -ATOM 96 O TRP A 6 0.287 -2.706 -0.046 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.147 0.614 -0.453 1.00 0.00 C -ATOM 98 CG TRP A 6 1.240 0.540 0.100 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.369 0.426 -0.635 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.668 0.524 1.498 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.457 0.329 0.207 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.087 0.401 1.528 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.008 0.607 2.744 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.824 0.375 2.719 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.737 0.578 3.950 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.140 0.468 3.941 1.00 0.00 C -ATOM 107 H TRP A 6 -2.482 0.369 -1.404 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.009 -1.011 -1.832 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.158 1.339 -1.244 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.819 0.959 0.333 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.409 0.399 -1.716 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.432 0.245 -0.091 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.065 0.714 2.764 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.901 0.285 2.682 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.222 0.668 4.895 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.687 0.462 4.872 1.00 0.00 H -ATOM 117 N LEU A 7 -1.500 -1.852 1.018 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.566 -2.933 2.003 1.00 0.00 C -ATOM 119 C LEU A 7 -1.887 -4.289 1.365 1.00 0.00 C -ATOM 120 O LEU A 7 -1.341 -5.295 1.810 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.578 -2.606 3.117 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.079 -1.558 4.127 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.224 -1.188 5.075 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.891 -2.038 4.980 1.00 0.00 C -ATOM 125 H LEU A 7 -2.182 -1.096 1.068 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.574 -3.041 2.436 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.475 -2.234 2.660 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.812 -3.520 3.665 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.776 -0.664 3.583 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.066 -0.795 4.505 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.553 -2.070 5.626 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.889 -0.433 5.787 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.235 -2.453 5.927 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.314 -2.808 4.473 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.234 -1.196 5.184 1.00 0.00 H -ATOM 136 N LYS A 8 -2.711 -4.325 0.308 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.090 -5.545 -0.417 1.00 0.00 C -ATOM 138 C LYS A 8 -1.889 -6.299 -0.992 1.00 0.00 C -ATOM 139 O LYS A 8 -1.885 -7.526 -0.985 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.077 -5.189 -1.537 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.961 -6.377 -1.915 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.092 -5.927 -2.853 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.345 -6.989 -3.925 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.706 -6.871 -4.496 1.00 0.00 N -ATOM 145 H LYS A 8 -3.163 -3.451 0.044 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.576 -6.217 0.293 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.702 -4.383 -1.205 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.527 -4.857 -2.421 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.364 -7.118 -2.411 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.410 -6.796 -1.012 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.988 -5.780 -2.282 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.831 -4.988 -3.347 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -5.625 -6.869 -4.712 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.210 -7.979 -3.483 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -8.393 -7.094 -3.788 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.869 -5.930 -4.825 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -7.818 -7.515 -5.269 1.00 0.00 H -ATOM 158 N ASP A 9 -0.879 -5.565 -1.461 1.00 0.00 N -ATOM 159 CA ASP A 9 0.388 -6.124 -1.938 1.00 0.00 C -ATOM 160 C ASP A 9 1.241 -6.707 -0.792 1.00 0.00 C -ATOM 161 O ASP A 9 2.087 -7.564 -1.026 1.00 0.00 O -ATOM 162 CB ASP A 9 1.146 -5.019 -2.691 1.00 0.00 C -ATOM 163 CG ASP A 9 2.006 -5.586 -3.819 1.00 0.00 C -ATOM 164 OD1 ASP A 9 3.181 -5.908 -3.534 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.487 -5.664 -4.954 1.00 0.00 O -ATOM 166 H ASP A 9 -0.992 -4.558 -1.468 1.00 0.00 H -ATOM 167 HA ASP A 9 0.170 -6.935 -2.635 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.435 -4.333 -3.108 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.772 -4.458 -1.992 1.00 0.00 H -ATOM 170 N GLY A 10 0.985 -6.274 0.450 1.00 0.00 N -ATOM 171 CA GLY A 10 1.737 -6.639 1.646 1.00 0.00 C -ATOM 172 C GLY A 10 2.495 -5.468 2.278 1.00 0.00 C -ATOM 173 O GLY A 10 3.461 -5.715 3.003 1.00 0.00 O -ATOM 174 H GLY A 10 0.165 -5.692 0.580 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.039 -7.025 2.389 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.442 -7.433 1.411 1.00 0.00 H -ATOM 177 N GLY A 11 2.110 -4.213 1.995 1.00 0.00 N -ATOM 178 CA GLY A 11 2.673 -3.013 2.615 1.00 0.00 C -ATOM 179 C GLY A 11 4.207 -2.948 2.501 1.00 0.00 C -ATOM 180 O GLY A 11 4.725 -3.042 1.386 1.00 0.00 O -ATOM 181 H GLY A 11 1.398 -4.072 1.288 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.258 -2.139 2.116 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.357 -2.986 3.655 1.00 0.00 H -ATOM 184 N PRO A 12 4.960 -2.809 3.616 1.00 0.00 N -ATOM 185 CA PRO A 12 6.424 -2.779 3.578 1.00 0.00 C -ATOM 186 C PRO A 12 7.069 -4.028 2.960 1.00 0.00 C -ATOM 187 O PRO A 12 8.189 -3.932 2.461 1.00 0.00 O -ATOM 188 CB PRO A 12 6.890 -2.607 5.031 1.00 0.00 C -ATOM 189 CG PRO A 12 5.663 -2.077 5.767 1.00 0.00 C -ATOM 190 CD PRO A 12 4.496 -2.685 4.991 1.00 0.00 C -ATOM 191 HA PRO A 12 6.736 -1.908 3.002 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.202 -3.547 5.443 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.726 -1.910 5.099 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.657 -2.404 6.789 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.630 -0.990 5.687 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.243 -3.649 5.389 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.623 -2.038 5.075 1.00 0.00 H -ATOM 198 N SER A 13 6.387 -5.186 2.959 1.00 0.00 N -ATOM 199 CA SER A 13 6.949 -6.443 2.439 1.00 0.00 C -ATOM 200 C SER A 13 7.314 -6.364 0.949 1.00 0.00 C -ATOM 201 O SER A 13 8.295 -6.974 0.530 1.00 0.00 O -ATOM 202 CB SER A 13 6.004 -7.621 2.705 1.00 0.00 C -ATOM 203 OG SER A 13 4.930 -7.624 1.798 1.00 0.00 O -ATOM 204 H SER A 13 5.432 -5.191 3.307 1.00 0.00 H -ATOM 205 HA SER A 13 7.871 -6.641 2.985 1.00 0.00 H -ATOM 206 HB2 SER A 13 6.551 -8.539 2.604 1.00 0.00 H -ATOM 207 HB3 SER A 13 5.606 -7.556 3.718 1.00 0.00 H -ATOM 208 HG SER A 13 4.348 -6.883 2.036 1.00 0.00 H -ATOM 209 N SER A 14 6.579 -5.561 0.169 1.00 0.00 N -ATOM 210 CA SER A 14 6.820 -5.327 -1.256 1.00 0.00 C -ATOM 211 C SER A 14 7.922 -4.294 -1.522 1.00 0.00 C -ATOM 212 O SER A 14 8.242 -4.017 -2.677 1.00 0.00 O -ATOM 213 CB SER A 14 5.537 -4.831 -1.928 1.00 0.00 C -ATOM 214 OG SER A 14 4.441 -5.626 -1.548 1.00 0.00 O -ATOM 215 H SER A 14 5.746 -5.132 0.560 1.00 0.00 H -ATOM 216 HA SER A 14 7.104 -6.271 -1.725 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.355 -3.815 -1.634 1.00 0.00 H -ATOM 218 HB3 SER A 14 5.656 -4.884 -3.011 1.00 0.00 H -ATOM 219 HG SER A 14 3.881 -5.799 -2.406 1.00 0.00 H -ATOM 220 N GLY A 15 8.461 -3.653 -0.477 1.00 0.00 N -ATOM 221 CA GLY A 15 9.520 -2.646 -0.549 1.00 0.00 C -ATOM 222 C GLY A 15 9.063 -1.246 -0.987 1.00 0.00 C -ATOM 223 O GLY A 15 9.688 -0.260 -0.601 1.00 0.00 O -ATOM 224 H GLY A 15 8.144 -3.918 0.453 1.00 0.00 H -ATOM 225 HA2 GLY A 15 9.982 -2.562 0.434 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.282 -2.988 -1.252 1.00 0.00 H -ATOM 227 N ARG A 16 7.983 -1.136 -1.775 1.00 0.00 N -ATOM 228 CA ARG A 16 7.407 0.144 -2.217 1.00 0.00 C -ATOM 229 C ARG A 16 6.873 0.959 -1.017 1.00 0.00 C -ATOM 230 O ARG A 16 6.188 0.381 -0.171 1.00 0.00 O -ATOM 231 CB ARG A 16 6.295 -0.134 -3.247 1.00 0.00 C -ATOM 232 CG ARG A 16 5.773 1.159 -3.895 1.00 0.00 C -ATOM 233 CD ARG A 16 4.638 0.926 -4.896 1.00 0.00 C -ATOM 234 NE ARG A 16 5.119 0.301 -6.142 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.470 0.248 -7.298 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.270 0.763 -7.440 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.020 -0.326 -8.342 1.00 0.00 N -ATOM 238 H ARG A 16 7.569 -2.007 -2.081 1.00 0.00 H -ATOM 239 HA ARG A 16 8.207 0.703 -2.701 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.686 -0.773 -4.015 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.468 -0.652 -2.755 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.414 1.807 -3.119 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.591 1.664 -4.410 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.906 0.283 -4.446 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.201 1.899 -5.127 1.00 0.00 H -ATOM 246 HE ARG A 16 6.032 -0.122 -6.114 1.00 0.00 H -ATOM 247 HH11 ARG A 16 2.845 1.192 -6.637 1.00 0.00 H -ATOM 248 HH12 ARG A 16 2.779 0.716 -8.314 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.933 -0.740 -8.273 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.520 -0.368 -9.211 1.00 0.00 H -ATOM 251 N PRO A 17 7.105 2.288 -0.945 1.00 0.00 N -ATOM 252 CA PRO A 17 6.592 3.134 0.139 1.00 0.00 C -ATOM 253 C PRO A 17 5.058 3.310 0.093 1.00 0.00 C -ATOM 254 O PRO A 17 4.451 3.102 -0.962 1.00 0.00 O -ATOM 255 CB PRO A 17 7.309 4.480 -0.034 1.00 0.00 C -ATOM 256 CG PRO A 17 7.588 4.545 -1.531 1.00 0.00 C -ATOM 257 CD PRO A 17 7.889 3.089 -1.878 1.00 0.00 C -ATOM 258 HA PRO A 17 6.871 2.694 1.095 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.679 5.292 0.274 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.253 4.460 0.511 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.731 4.902 -2.069 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.431 5.198 -1.763 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.597 2.878 -2.889 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.949 2.883 -1.728 1.00 0.00 H -ATOM 265 N PRO A 18 4.425 3.724 1.211 1.00 0.00 N -ATOM 266 CA PRO A 18 2.983 3.945 1.275 1.00 0.00 C -ATOM 267 C PRO A 18 2.554 5.198 0.492 1.00 0.00 C -ATOM 268 O PRO A 18 3.293 6.183 0.449 1.00 0.00 O -ATOM 269 CB PRO A 18 2.654 4.089 2.764 1.00 0.00 C -ATOM 270 CG PRO A 18 3.948 4.624 3.370 1.00 0.00 C -ATOM 271 CD PRO A 18 5.036 3.983 2.507 1.00 0.00 C -ATOM 272 HA PRO A 18 2.476 3.068 0.878 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.847 4.781 2.913 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.438 3.109 3.186 1.00 0.00 H -ATOM 275 HG2 PRO A 18 3.988 5.694 3.306 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.049 4.343 4.419 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.868 4.652 2.399 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.351 3.039 2.955 1.00 0.00 H -ATOM 279 N PRO A 19 1.342 5.203 -0.093 1.00 0.00 N -ATOM 280 CA PRO A 19 0.805 6.357 -0.803 1.00 0.00 C -ATOM 281 C PRO A 19 0.320 7.423 0.190 1.00 0.00 C -ATOM 282 O PRO A 19 -0.257 7.100 1.229 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.339 5.795 -1.648 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.864 4.631 -0.807 1.00 0.00 C -ATOM 285 CD PRO A 19 0.380 4.112 -0.089 1.00 0.00 C -ATOM 286 HA PRO A 19 1.566 6.787 -1.457 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.102 6.533 -1.800 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.063 5.409 -2.586 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.599 4.969 -0.102 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.304 3.856 -1.430 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.138 3.834 0.919 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.800 3.273 -0.642 1.00 0.00 H -ATOM 293 N SER A 20 0.540 8.696 -0.154 1.00 0.00 N -ATOM 294 CA SER A 20 0.107 9.883 0.597 1.00 0.00 C -ATOM 295 C SER A 20 -0.517 10.892 -0.359 1.00 0.00 C -ATOM 296 O SER A 20 0.173 11.221 -1.351 1.00 0.00 O -ATOM 297 CB SER A 20 1.287 10.518 1.338 1.00 0.00 C -ATOM 298 OG SER A 20 1.823 9.586 2.254 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.676 11.275 -0.100 1.00 0.00 O -ATOM 300 H SER A 20 0.976 8.906 -1.042 1.00 0.00 H -ATOM 301 HA SER A 20 -0.660 9.612 1.323 1.00 0.00 H -ATOM 302 HB2 SER A 20 2.043 10.801 0.631 1.00 0.00 H -ATOM 303 HB3 SER A 20 0.947 11.404 1.878 1.00 0.00 H -ATOM 304 HG SER A 20 1.894 8.744 1.792 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 12 -ATOM 1 N ASN A 1 -4.775 8.349 0.978 1.00 0.00 N -ATOM 2 CA ASN A 1 -5.666 7.501 0.145 1.00 0.00 C -ATOM 3 C ASN A 1 -4.883 6.315 -0.422 1.00 0.00 C -ATOM 4 O ASN A 1 -3.710 6.189 -0.099 1.00 0.00 O -ATOM 5 CB ASN A 1 -6.368 8.312 -0.963 1.00 0.00 C -ATOM 6 CG ASN A 1 -7.731 7.695 -1.245 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -8.561 7.621 -0.357 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -7.984 7.161 -2.427 1.00 0.00 N -ATOM 9 H1 ASN A 1 -4.291 7.782 1.665 1.00 0.00 H -ATOM 10 H2 ASN A 1 -4.059 8.774 0.407 1.00 0.00 H -ATOM 11 H3 ASN A 1 -5.305 9.067 1.452 1.00 0.00 H -ATOM 12 HA ASN A 1 -6.445 7.096 0.797 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -6.493 9.328 -0.640 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -5.758 8.337 -1.869 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -7.370 7.224 -3.224 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -8.930 6.818 -2.517 1.00 0.00 H -ATOM 17 N LEU A 2 -5.505 5.439 -1.230 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.870 4.301 -1.933 1.00 0.00 C -ATOM 19 C LEU A 2 -4.253 3.217 -1.013 1.00 0.00 C -ATOM 20 O LEU A 2 -3.725 2.212 -1.488 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.879 4.858 -2.987 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.862 4.103 -4.338 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.942 5.102 -5.500 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -2.594 3.266 -4.529 1.00 0.00 C -ATOM 25 H LEU A 2 -6.484 5.595 -1.443 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.671 3.797 -2.474 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.141 5.880 -3.181 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.875 4.881 -2.566 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.728 3.445 -4.407 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -4.863 5.680 -5.430 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.088 5.780 -5.472 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.942 4.567 -6.450 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -1.714 3.909 -4.532 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -2.501 2.537 -3.726 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -2.650 2.733 -5.479 1.00 0.00 H -ATOM 36 N TYR A 3 -4.358 3.387 0.311 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.724 2.561 1.334 1.00 0.00 C -ATOM 38 C TYR A 3 -4.131 1.084 1.243 1.00 0.00 C -ATOM 39 O TYR A 3 -3.272 0.213 1.349 1.00 0.00 O -ATOM 40 CB TYR A 3 -4.034 3.171 2.713 1.00 0.00 C -ATOM 41 CG TYR A 3 -3.135 2.703 3.842 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -1.737 2.851 3.727 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -3.685 2.171 5.024 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -0.891 2.412 4.759 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -2.842 1.741 6.067 1.00 0.00 C -ATOM 46 CZ TYR A 3 -1.438 1.829 5.920 1.00 0.00 C -ATOM 47 OH TYR A 3 -0.611 1.332 6.879 1.00 0.00 O -ATOM 48 H TYR A 3 -4.748 4.266 0.609 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.648 2.608 1.169 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.940 4.237 2.633 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -5.076 2.964 2.965 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -1.301 3.304 2.848 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -4.757 2.089 5.139 1.00 0.00 H -ATOM 54 HE1 TYR A 3 0.181 2.515 4.674 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -3.268 1.331 6.971 1.00 0.00 H -ATOM 56 HH TYR A 3 -1.077 0.804 7.527 1.00 0.00 H -ATOM 57 N ILE A 4 -5.411 0.798 0.958 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.929 -0.561 0.735 1.00 0.00 C -ATOM 59 C ILE A 4 -5.151 -1.265 -0.392 1.00 0.00 C -ATOM 60 O ILE A 4 -4.770 -2.424 -0.234 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.448 -0.558 0.412 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.318 0.310 1.355 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.010 -2.000 0.433 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.502 1.763 0.894 1.00 0.00 C -ATOM 65 H ILE A 4 -6.043 1.576 0.880 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.774 -1.132 1.651 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.573 -0.182 -0.605 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.288 -0.144 1.429 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.900 0.296 2.364 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.241 -2.738 0.216 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -8.427 -2.236 1.414 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.799 -2.084 -0.315 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.575 2.327 0.979 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -8.846 1.782 -0.141 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.256 2.242 1.519 1.00 0.00 H -ATOM 76 N GLN A 5 -4.901 -0.573 -1.513 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.125 -1.106 -2.634 1.00 0.00 C -ATOM 78 C GLN A 5 -2.693 -1.437 -2.204 1.00 0.00 C -ATOM 79 O GLN A 5 -2.251 -2.565 -2.402 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.128 -0.128 -3.830 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.010 -0.590 -5.001 1.00 0.00 C -ATOM 82 CD GLN A 5 -4.334 -0.299 -6.339 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.559 0.724 -6.965 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -3.468 -1.181 -6.803 1.00 0.00 N -ATOM 85 H GLN A 5 -5.142 0.409 -1.535 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.578 -2.049 -2.940 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.488 0.824 -3.489 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.103 -0.020 -4.191 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.182 -1.646 -4.916 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.966 -0.069 -4.961 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -3.220 -2.017 -6.300 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -3.046 -0.932 -7.681 1.00 0.00 H -ATOM 93 N TRP A 6 -1.990 -0.483 -1.580 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.617 -0.690 -1.102 1.00 0.00 C -ATOM 95 C TRP A 6 -0.505 -1.806 -0.047 1.00 0.00 C -ATOM 96 O TRP A 6 0.434 -2.605 -0.072 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.075 0.634 -0.556 1.00 0.00 C -ATOM 98 CG TRP A 6 1.309 0.540 0.003 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.446 0.522 -0.728 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.725 0.405 1.396 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.531 0.366 0.112 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.148 0.312 1.431 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.050 0.354 2.636 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.871 0.207 2.626 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.766 0.241 3.845 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.172 0.180 3.843 1.00 0.00 C -ATOM 107 H TRP A 6 -2.436 0.418 -1.445 1.00 0.00 H -ATOM 108 HA TRP A 6 0.001 -0.996 -1.948 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.069 1.351 -1.354 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.741 0.996 0.231 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.490 0.606 -1.806 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.506 0.317 -0.195 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.028 0.413 2.652 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.948 0.144 2.596 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.233 0.211 4.786 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.712 0.109 4.775 1.00 0.00 H -ATOM 117 N LEU A 7 -1.478 -1.903 0.868 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.565 -3.023 1.803 1.00 0.00 C -ATOM 119 C LEU A 7 -1.788 -4.359 1.077 1.00 0.00 C -ATOM 120 O LEU A 7 -1.184 -5.351 1.478 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.659 -2.772 2.854 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.323 -1.690 3.899 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.521 -1.550 4.842 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.085 -2.027 4.739 1.00 0.00 C -ATOM 125 H LEU A 7 -2.200 -1.184 0.892 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.606 -3.120 2.310 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.552 -2.472 2.340 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.840 -3.707 3.385 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.150 -0.733 3.410 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.397 -1.228 4.278 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.729 -2.502 5.330 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.305 -0.807 5.605 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.199 -3.007 5.202 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.194 -2.019 4.114 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.952 -1.273 5.515 1.00 0.00 H -ATOM 136 N LYS A 8 -2.578 -4.390 -0.010 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.803 -5.590 -0.835 1.00 0.00 C -ATOM 138 C LYS A 8 -1.523 -6.177 -1.436 1.00 0.00 C -ATOM 139 O LYS A 8 -1.444 -7.395 -1.565 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.841 -5.306 -1.943 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.102 -6.183 -1.820 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.388 -5.360 -1.964 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.575 -6.172 -1.439 1.00 0.00 C -ATOM 144 NZ LYS A 8 -8.803 -5.348 -1.365 1.00 0.00 N -ATOM 145 H LYS A 8 -3.058 -3.531 -0.269 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.176 -6.367 -0.170 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.133 -4.275 -1.883 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.394 -5.473 -2.925 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.081 -6.931 -2.589 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.122 -6.674 -0.847 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.297 -4.453 -1.399 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.539 -5.092 -3.010 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.750 -7.001 -2.098 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.320 -6.540 -0.441 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -8.641 -4.541 -0.776 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -9.066 -5.030 -2.289 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -9.564 -5.888 -0.973 1.00 0.00 H -ATOM 158 N ASP A 9 -0.517 -5.351 -1.751 1.00 0.00 N -ATOM 159 CA ASP A 9 0.810 -5.841 -2.151 1.00 0.00 C -ATOM 160 C ASP A 9 1.554 -6.575 -1.011 1.00 0.00 C -ATOM 161 O ASP A 9 2.438 -7.380 -1.298 1.00 0.00 O -ATOM 162 CB ASP A 9 1.696 -4.676 -2.632 1.00 0.00 C -ATOM 163 CG ASP A 9 1.245 -3.986 -3.921 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.597 -4.502 -5.006 1.00 0.00 O -ATOM 165 OD2 ASP A 9 0.666 -2.883 -3.811 1.00 0.00 O -ATOM 166 H ASP A 9 -0.685 -4.351 -1.702 1.00 0.00 H -ATOM 167 HA ASP A 9 0.696 -6.548 -2.974 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.720 -3.937 -1.854 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.698 -5.068 -2.815 1.00 0.00 H -ATOM 170 N GLY A 10 1.225 -6.295 0.263 1.00 0.00 N -ATOM 171 CA GLY A 10 1.982 -6.737 1.446 1.00 0.00 C -ATOM 172 C GLY A 10 2.507 -5.606 2.352 1.00 0.00 C -ATOM 173 O GLY A 10 3.317 -5.867 3.245 1.00 0.00 O -ATOM 174 H GLY A 10 0.375 -5.762 0.424 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.336 -7.376 2.049 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.840 -7.334 1.133 1.00 0.00 H -ATOM 177 N GLY A 11 2.078 -4.353 2.136 1.00 0.00 N -ATOM 178 CA GLY A 11 2.489 -3.194 2.933 1.00 0.00 C -ATOM 179 C GLY A 11 4.018 -3.015 3.017 1.00 0.00 C -ATOM 180 O GLY A 11 4.676 -2.975 1.975 1.00 0.00 O -ATOM 181 H GLY A 11 1.434 -4.188 1.373 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.070 -2.296 2.478 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.056 -3.301 3.926 1.00 0.00 H -ATOM 184 N PRO A 12 4.624 -2.897 4.222 1.00 0.00 N -ATOM 185 CA PRO A 12 6.074 -2.717 4.372 1.00 0.00 C -ATOM 186 C PRO A 12 6.928 -3.824 3.735 1.00 0.00 C -ATOM 187 O PRO A 12 8.086 -3.582 3.404 1.00 0.00 O -ATOM 188 CB PRO A 12 6.342 -2.659 5.880 1.00 0.00 C -ATOM 189 CG PRO A 12 4.997 -2.271 6.487 1.00 0.00 C -ATOM 190 CD PRO A 12 3.985 -2.895 5.530 1.00 0.00 C -ATOM 191 HA PRO A 12 6.352 -1.763 3.924 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.663 -3.615 6.246 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.115 -1.929 6.121 1.00 0.00 H -ATOM 194 HG2 PRO A 12 4.891 -2.675 7.475 1.00 0.00 H -ATOM 195 HG3 PRO A 12 4.893 -1.186 6.477 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.753 -3.898 5.834 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.065 -2.308 5.536 1.00 0.00 H -ATOM 198 N SER A 13 6.371 -5.030 3.550 1.00 0.00 N -ATOM 199 CA SER A 13 7.084 -6.170 2.958 1.00 0.00 C -ATOM 200 C SER A 13 7.083 -6.156 1.418 1.00 0.00 C -ATOM 201 O SER A 13 7.625 -7.072 0.804 1.00 0.00 O -ATOM 202 CB SER A 13 6.515 -7.484 3.508 1.00 0.00 C -ATOM 203 OG SER A 13 6.707 -7.539 4.910 1.00 0.00 O -ATOM 204 H SER A 13 5.380 -5.139 3.743 1.00 0.00 H -ATOM 205 HA SER A 13 8.130 -6.125 3.264 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.466 -7.537 3.290 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.033 -8.329 3.054 1.00 0.00 H -ATOM 208 HG SER A 13 6.297 -6.766 5.305 1.00 0.00 H -ATOM 209 N SER A 14 6.505 -5.124 0.784 1.00 0.00 N -ATOM 210 CA SER A 14 6.326 -5.021 -0.674 1.00 0.00 C -ATOM 211 C SER A 14 7.445 -4.276 -1.413 1.00 0.00 C -ATOM 212 O SER A 14 7.363 -4.116 -2.632 1.00 0.00 O -ATOM 213 CB SER A 14 5.029 -4.263 -0.971 1.00 0.00 C -ATOM 214 OG SER A 14 3.953 -4.822 -0.267 1.00 0.00 O -ATOM 215 H SER A 14 6.012 -4.435 1.345 1.00 0.00 H -ATOM 216 HA SER A 14 6.241 -6.022 -1.098 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.146 -3.237 -0.678 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.818 -4.312 -2.040 1.00 0.00 H -ATOM 219 HG SER A 14 3.220 -4.203 -0.295 1.00 0.00 H -ATOM 220 N GLY A 15 8.438 -3.724 -0.707 1.00 0.00 N -ATOM 221 CA GLY A 15 9.507 -2.889 -1.274 1.00 0.00 C -ATOM 222 C GLY A 15 9.063 -1.480 -1.708 1.00 0.00 C -ATOM 223 O GLY A 15 9.798 -0.518 -1.489 1.00 0.00 O -ATOM 224 H GLY A 15 8.430 -3.884 0.291 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.304 -2.784 -0.538 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.927 -3.393 -2.147 1.00 0.00 H -ATOM 227 N ARG A 16 7.872 -1.340 -2.309 1.00 0.00 N -ATOM 228 CA ARG A 16 7.271 -0.051 -2.694 1.00 0.00 C -ATOM 229 C ARG A 16 6.858 0.790 -1.462 1.00 0.00 C -ATOM 230 O ARG A 16 6.260 0.241 -0.533 1.00 0.00 O -ATOM 231 CB ARG A 16 6.089 -0.273 -3.662 1.00 0.00 C -ATOM 232 CG ARG A 16 4.953 -1.164 -3.120 1.00 0.00 C -ATOM 233 CD ARG A 16 3.733 -1.249 -4.050 1.00 0.00 C -ATOM 234 NE ARG A 16 4.008 -2.020 -5.278 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.304 -1.553 -6.487 1.00 0.00 C -ATOM 236 NH1 ARG A 16 4.332 -0.266 -6.751 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.584 -2.382 -7.463 1.00 0.00 N -ATOM 238 H ARG A 16 7.380 -2.207 -2.502 1.00 0.00 H -ATOM 239 HA ARG A 16 8.042 0.496 -3.233 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.672 0.686 -3.902 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.479 -0.726 -4.575 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.339 -2.155 -2.977 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.607 -0.763 -2.173 1.00 0.00 H -ATOM 244 HD2 ARG A 16 2.929 -1.722 -3.520 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.380 -0.245 -4.284 1.00 0.00 H -ATOM 246 HE ARG A 16 3.860 -3.017 -5.208 1.00 0.00 H -ATOM 247 HH11 ARG A 16 4.070 0.367 -6.019 1.00 0.00 H -ATOM 248 HH12 ARG A 16 4.528 0.072 -7.675 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.555 -3.374 -7.290 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.810 -2.036 -8.376 1.00 0.00 H -ATOM 251 N PRO A 17 7.111 2.116 -1.447 1.00 0.00 N -ATOM 252 CA PRO A 17 6.730 2.992 -0.332 1.00 0.00 C -ATOM 253 C PRO A 17 5.203 3.215 -0.255 1.00 0.00 C -ATOM 254 O PRO A 17 4.512 3.033 -1.262 1.00 0.00 O -ATOM 255 CB PRO A 17 7.472 4.309 -0.592 1.00 0.00 C -ATOM 256 CG PRO A 17 7.586 4.354 -2.114 1.00 0.00 C -ATOM 257 CD PRO A 17 7.780 2.885 -2.487 1.00 0.00 C -ATOM 258 HA PRO A 17 7.081 2.557 0.604 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.910 5.146 -0.224 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.471 4.256 -0.155 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.692 4.750 -2.556 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.426 4.969 -2.440 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.339 2.682 -3.444 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.845 2.645 -2.487 1.00 0.00 H -ATOM 265 N PRO A 18 4.666 3.621 0.914 1.00 0.00 N -ATOM 266 CA PRO A 18 3.235 3.860 1.094 1.00 0.00 C -ATOM 267 C PRO A 18 2.748 5.165 0.425 1.00 0.00 C -ATOM 268 O PRO A 18 3.529 6.100 0.248 1.00 0.00 O -ATOM 269 CB PRO A 18 3.024 3.899 2.612 1.00 0.00 C -ATOM 270 CG PRO A 18 4.361 4.406 3.146 1.00 0.00 C -ATOM 271 CD PRO A 18 5.372 3.796 2.177 1.00 0.00 C -ATOM 272 HA PRO A 18 2.688 3.015 0.682 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.228 4.570 2.871 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.846 2.890 2.983 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.404 5.478 3.124 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.538 4.078 4.171 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.209 4.455 2.048 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.693 2.821 2.549 1.00 0.00 H -ATOM 279 N PRO A 19 1.443 5.263 0.091 1.00 0.00 N -ATOM 280 CA PRO A 19 0.813 6.446 -0.514 1.00 0.00 C -ATOM 281 C PRO A 19 0.366 7.514 0.505 1.00 0.00 C -ATOM 282 O PRO A 19 -0.168 8.563 0.135 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.418 5.883 -1.228 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.852 4.754 -0.291 1.00 0.00 C -ATOM 285 CD PRO A 19 0.481 4.171 0.160 1.00 0.00 C -ATOM 286 HA PRO A 19 1.483 6.910 -1.240 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.186 6.626 -1.322 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.127 5.468 -2.194 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.411 5.134 0.542 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.463 4.012 -0.801 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.406 3.804 1.165 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.786 3.388 -0.533 1.00 0.00 H -ATOM 293 N SER A 20 0.475 7.235 1.804 1.00 0.00 N -ATOM 294 CA SER A 20 0.117 8.121 2.917 1.00 0.00 C -ATOM 295 C SER A 20 0.951 7.740 4.134 1.00 0.00 C -ATOM 296 O SER A 20 1.145 6.518 4.316 1.00 0.00 O -ATOM 297 CB SER A 20 -1.376 8.004 3.229 1.00 0.00 C -ATOM 298 OG SER A 20 -2.078 8.526 2.113 1.00 0.00 O -ATOM 299 OXT SER A 20 1.384 8.682 4.830 1.00 0.00 O -ATOM 300 H SER A 20 0.881 6.355 2.097 1.00 0.00 H -ATOM 301 HA SER A 20 0.361 9.155 2.677 1.00 0.00 H -ATOM 302 HB2 SER A 20 -1.640 6.975 3.382 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.610 8.576 4.131 1.00 0.00 H -ATOM 304 HG SER A 20 -1.383 8.683 1.436 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 13 -ATOM 1 N ASN A 1 -7.908 6.785 -1.311 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.019 6.327 -0.216 1.00 0.00 C -ATOM 3 C ASN A 1 -5.683 5.747 -0.661 1.00 0.00 C -ATOM 4 O ASN A 1 -4.708 6.050 0.013 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.728 5.352 0.732 1.00 0.00 C -ATOM 6 CG ASN A 1 -8.620 6.137 1.676 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -9.560 6.770 1.223 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -8.313 6.173 2.959 1.00 0.00 N -ATOM 9 H1 ASN A 1 -7.434 7.466 -1.890 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.205 6.004 -1.879 1.00 0.00 H -ATOM 11 H3 ASN A 1 -8.733 7.210 -0.902 1.00 0.00 H -ATOM 12 HA ASN A 1 -6.754 7.204 0.378 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.324 4.666 0.162 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -6.996 4.787 1.311 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -7.513 5.701 3.351 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -8.923 6.730 3.536 1.00 0.00 H -ATOM 17 N LEU A 2 -5.615 4.880 -1.688 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.406 4.163 -2.156 1.00 0.00 C -ATOM 19 C LEU A 2 -3.837 3.130 -1.158 1.00 0.00 C -ATOM 20 O LEU A 2 -3.364 2.071 -1.568 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.322 5.161 -2.622 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.769 6.069 -3.790 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.562 7.551 -3.463 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -3.001 5.730 -5.068 1.00 0.00 C -ATOM 25 H LEU A 2 -6.452 4.624 -2.189 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.692 3.585 -3.037 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.057 5.785 -1.790 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.440 4.595 -2.923 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.830 5.921 -3.991 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -4.099 7.813 -2.552 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.502 7.762 -3.318 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.938 8.167 -4.281 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -1.934 5.911 -4.924 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -3.157 4.681 -5.323 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -3.359 6.350 -5.889 1.00 0.00 H -ATOM 36 N TYR A 3 -3.941 3.391 0.150 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.446 2.538 1.230 1.00 0.00 C -ATOM 38 C TYR A 3 -4.000 1.103 1.182 1.00 0.00 C -ATOM 39 O TYR A 3 -3.277 0.167 1.508 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.738 3.210 2.583 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.672 2.927 3.623 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.765 1.788 4.444 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.567 3.795 3.740 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.751 1.512 5.382 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.550 3.520 4.672 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.641 2.375 5.495 1.00 0.00 C -ATOM 47 OH TYR A 3 0.344 2.091 6.389 1.00 0.00 O -ATOM 48 H TYR A 3 -4.221 4.340 0.385 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.363 2.475 1.122 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.797 4.271 2.433 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.711 2.883 2.955 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.607 1.120 4.349 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.493 4.677 3.117 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.801 0.643 6.018 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.291 4.191 4.755 1.00 0.00 H -ATOM 56 HH TYR A 3 1.086 2.690 6.302 1.00 0.00 H -ATOM 57 N ILE A 4 -5.249 0.909 0.731 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.862 -0.418 0.547 1.00 0.00 C -ATOM 59 C ILE A 4 -5.108 -1.223 -0.524 1.00 0.00 C -ATOM 60 O ILE A 4 -4.705 -2.359 -0.275 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.371 -0.307 0.207 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.145 0.575 1.218 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.018 -1.702 0.164 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.506 1.935 0.617 1.00 0.00 C -ATOM 65 H ILE A 4 -5.779 1.731 0.489 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.769 -0.964 1.487 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.472 0.126 -0.790 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.048 0.069 1.502 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.554 0.726 2.123 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.562 -2.315 -0.613 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.904 -2.200 1.127 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.081 -1.610 -0.065 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.611 2.423 0.233 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.219 1.799 -0.198 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.963 2.563 1.384 1.00 0.00 H -ATOM 76 N GLN A 5 -4.883 -0.627 -1.705 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.097 -1.237 -2.779 1.00 0.00 C -ATOM 78 C GLN A 5 -2.654 -1.511 -2.339 1.00 0.00 C -ATOM 79 O GLN A 5 -2.134 -2.592 -2.614 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.124 -0.349 -4.035 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.446 -0.464 -4.826 1.00 0.00 C -ATOM 82 CD GLN A 5 -6.302 0.803 -4.886 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.896 1.911 -4.564 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -7.545 0.678 -5.313 1.00 0.00 N -ATOM 85 H GLN A 5 -5.163 0.337 -1.814 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.533 -2.207 -3.026 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -3.993 0.673 -3.735 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.318 -0.674 -4.696 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.203 -0.745 -5.833 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.054 -1.268 -4.411 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -7.934 -0.208 -5.587 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -8.048 1.544 -5.402 1.00 0.00 H -ATOM 93 N TRP A 6 -2.027 -0.572 -1.618 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.693 -0.764 -1.047 1.00 0.00 C -ATOM 95 C TRP A 6 -0.644 -1.917 -0.026 1.00 0.00 C -ATOM 96 O TRP A 6 0.231 -2.778 -0.111 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.213 0.557 -0.443 1.00 0.00 C -ATOM 98 CG TRP A 6 1.169 0.505 0.124 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.314 0.542 -0.597 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.577 0.373 1.518 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.396 0.430 0.252 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.001 0.346 1.569 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.887 0.268 2.747 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.712 0.258 2.772 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.592 0.150 3.960 1.00 0.00 C -ATOM 106 CH2 TRP A 6 2.998 0.165 3.978 1.00 0.00 C -ATOM 107 H TRP A 6 -2.505 0.316 -1.478 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.010 -1.033 -1.856 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.234 1.306 -1.211 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.898 0.860 0.348 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.368 0.630 -1.674 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.370 0.409 -0.063 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.194 0.280 2.749 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.792 0.247 2.758 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.046 0.055 4.888 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.527 0.092 4.916 1.00 0.00 H -ATOM 117 N LEU A 7 -1.605 -2.000 0.907 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.710 -3.134 1.832 1.00 0.00 C -ATOM 119 C LEU A 7 -1.929 -4.466 1.106 1.00 0.00 C -ATOM 120 O LEU A 7 -1.324 -5.461 1.502 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.824 -2.903 2.868 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.460 -1.924 4.000 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.711 -1.690 4.853 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.353 -2.460 4.918 1.00 0.00 C -ATOM 125 H LEU A 7 -2.291 -1.251 0.973 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.757 -3.234 2.349 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.682 -2.515 2.354 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -3.076 -3.862 3.324 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.134 -0.976 3.579 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.496 -1.248 4.240 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -4.067 -2.637 5.262 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.483 -1.016 5.677 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.664 -3.401 5.371 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.433 -2.614 4.360 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -1.147 -1.735 5.706 1.00 0.00 H -ATOM 136 N LYS A 8 -2.718 -4.492 0.018 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.894 -5.686 -0.829 1.00 0.00 C -ATOM 138 C LYS A 8 -1.564 -6.220 -1.379 1.00 0.00 C -ATOM 139 O LYS A 8 -1.459 -7.409 -1.665 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.864 -5.370 -1.980 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.388 -6.622 -2.718 1.00 0.00 C -ATOM 142 CD LYS A 8 -4.505 -6.437 -4.242 1.00 0.00 C -ATOM 143 CE LYS A 8 -3.209 -6.745 -5.018 1.00 0.00 C -ATOM 144 NZ LYS A 8 -2.118 -5.779 -4.739 1.00 0.00 N -ATOM 145 H LYS A 8 -3.231 -3.643 -0.211 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.325 -6.477 -0.214 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.705 -4.839 -1.577 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.360 -4.716 -2.685 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -3.715 -7.435 -2.526 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.377 -6.849 -2.317 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.276 -7.091 -4.602 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -4.855 -5.430 -4.471 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -2.873 -7.727 -4.745 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -3.446 -6.733 -6.086 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -2.396 -4.819 -4.880 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -1.774 -5.854 -3.793 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -1.282 -5.906 -5.304 1.00 0.00 H -ATOM 158 N ASP A 9 -0.551 -5.368 -1.570 1.00 0.00 N -ATOM 159 CA ASP A 9 0.787 -5.808 -1.980 1.00 0.00 C -ATOM 160 C ASP A 9 1.595 -6.452 -0.830 1.00 0.00 C -ATOM 161 O ASP A 9 2.685 -6.970 -1.090 1.00 0.00 O -ATOM 162 CB ASP A 9 1.594 -4.630 -2.566 1.00 0.00 C -ATOM 163 CG ASP A 9 0.973 -3.926 -3.776 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.255 -4.603 -4.551 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.306 -2.727 -3.970 1.00 0.00 O -ATOM 166 H ASP A 9 -0.687 -4.388 -1.343 1.00 0.00 H -ATOM 167 HA ASP A 9 0.689 -6.562 -2.762 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.719 -3.900 -1.790 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.559 -5.017 -2.894 1.00 0.00 H -ATOM 170 N GLY A 10 1.155 -6.367 0.440 1.00 0.00 N -ATOM 171 CA GLY A 10 1.920 -6.800 1.627 1.00 0.00 C -ATOM 172 C GLY A 10 2.495 -5.666 2.504 1.00 0.00 C -ATOM 173 O GLY A 10 3.323 -5.931 3.387 1.00 0.00 O -ATOM 174 H GLY A 10 0.231 -5.972 0.604 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.260 -7.399 2.254 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.750 -7.439 1.326 1.00 0.00 H -ATOM 177 N GLY A 11 2.078 -4.413 2.271 1.00 0.00 N -ATOM 178 CA GLY A 11 2.452 -3.248 3.072 1.00 0.00 C -ATOM 179 C GLY A 11 3.971 -2.986 3.103 1.00 0.00 C -ATOM 180 O GLY A 11 4.593 -2.901 2.043 1.00 0.00 O -ATOM 181 H GLY A 11 1.509 -4.255 1.448 1.00 0.00 H -ATOM 182 HA2 GLY A 11 1.968 -2.368 2.650 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.064 -3.396 4.078 1.00 0.00 H -ATOM 184 N PRO A 12 4.608 -2.840 4.289 1.00 0.00 N -ATOM 185 CA PRO A 12 6.049 -2.569 4.388 1.00 0.00 C -ATOM 186 C PRO A 12 6.947 -3.622 3.719 1.00 0.00 C -ATOM 187 O PRO A 12 8.100 -3.334 3.404 1.00 0.00 O -ATOM 188 CB PRO A 12 6.365 -2.497 5.887 1.00 0.00 C -ATOM 189 CG PRO A 12 5.019 -2.212 6.546 1.00 0.00 C -ATOM 190 CD PRO A 12 4.017 -2.897 5.618 1.00 0.00 C -ATOM 191 HA PRO A 12 6.252 -1.600 3.932 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.768 -3.428 6.235 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.091 -1.712 6.104 1.00 0.00 H -ATOM 194 HG2 PRO A 12 4.978 -2.632 7.532 1.00 0.00 H -ATOM 195 HG3 PRO A 12 4.836 -1.136 6.553 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.866 -3.916 5.917 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.061 -2.377 5.665 1.00 0.00 H -ATOM 198 N SER A 13 6.430 -4.838 3.502 1.00 0.00 N -ATOM 199 CA SER A 13 7.167 -5.968 2.930 1.00 0.00 C -ATOM 200 C SER A 13 7.113 -6.043 1.392 1.00 0.00 C -ATOM 201 O SER A 13 7.652 -6.980 0.805 1.00 0.00 O -ATOM 202 CB SER A 13 6.723 -7.269 3.614 1.00 0.00 C -ATOM 203 OG SER A 13 5.376 -7.634 3.349 1.00 0.00 O -ATOM 204 H SER A 13 5.454 -4.968 3.734 1.00 0.00 H -ATOM 205 HA SER A 13 8.222 -5.839 3.177 1.00 0.00 H -ATOM 206 HB2 SER A 13 7.360 -8.063 3.274 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.865 -7.162 4.691 1.00 0.00 H -ATOM 208 HG SER A 13 4.737 -6.918 3.537 1.00 0.00 H -ATOM 209 N SER A 14 6.508 -5.047 0.733 1.00 0.00 N -ATOM 210 CA SER A 14 6.226 -5.028 -0.713 1.00 0.00 C -ATOM 211 C SER A 14 7.223 -4.235 -1.564 1.00 0.00 C -ATOM 212 O SER A 14 7.035 -4.116 -2.774 1.00 0.00 O -ATOM 213 CB SER A 14 4.854 -4.397 -0.935 1.00 0.00 C -ATOM 214 OG SER A 14 3.928 -5.006 -0.081 1.00 0.00 O -ATOM 215 H SER A 14 6.017 -4.350 1.287 1.00 0.00 H -ATOM 216 HA SER A 14 6.196 -6.052 -1.088 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.903 -3.346 -0.722 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.546 -4.527 -1.971 1.00 0.00 H -ATOM 219 HG SER A 14 3.589 -5.837 -0.501 1.00 0.00 H -ATOM 220 N GLY A 15 8.236 -3.613 -0.954 1.00 0.00 N -ATOM 221 CA GLY A 15 9.241 -2.785 -1.634 1.00 0.00 C -ATOM 222 C GLY A 15 8.755 -1.388 -2.056 1.00 0.00 C -ATOM 223 O GLY A 15 9.534 -0.439 -2.013 1.00 0.00 O -ATOM 224 H GLY A 15 8.306 -3.739 0.046 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.102 -2.664 -0.978 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.576 -3.308 -2.531 1.00 0.00 H -ATOM 227 N ARG A 16 7.484 -1.243 -2.458 1.00 0.00 N -ATOM 228 CA ARG A 16 6.866 0.043 -2.822 1.00 0.00 C -ATOM 229 C ARG A 16 6.607 0.907 -1.567 1.00 0.00 C -ATOM 230 O ARG A 16 6.048 0.385 -0.598 1.00 0.00 O -ATOM 231 CB ARG A 16 5.566 -0.231 -3.600 1.00 0.00 C -ATOM 232 CG ARG A 16 5.057 1.011 -4.351 1.00 0.00 C -ATOM 233 CD ARG A 16 3.793 0.732 -5.180 1.00 0.00 C -ATOM 234 NE ARG A 16 4.079 -0.101 -6.363 1.00 0.00 N -ATOM 235 CZ ARG A 16 3.877 -1.406 -6.533 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.266 -2.191 -5.676 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.308 -1.979 -7.632 1.00 0.00 N -ATOM 238 H ARG A 16 6.937 -2.095 -2.518 1.00 0.00 H -ATOM 239 HA ARG A 16 7.569 0.558 -3.476 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.749 -1.013 -4.312 1.00 0.00 H -ATOM 241 HB3 ARG A 16 4.793 -0.580 -2.914 1.00 0.00 H -ATOM 242 HG2 ARG A 16 4.834 1.777 -3.634 1.00 0.00 H -ATOM 243 HG3 ARG A 16 5.843 1.374 -5.018 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.079 0.222 -4.562 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.407 1.693 -5.529 1.00 0.00 H -ATOM 246 HE ARG A 16 4.530 0.371 -7.128 1.00 0.00 H -ATOM 247 HH11 ARG A 16 2.673 -1.883 -4.893 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.162 -3.167 -5.861 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.765 -1.448 -8.350 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.157 -2.963 -7.759 1.00 0.00 H -ATOM 251 N PRO A 17 6.947 2.213 -1.560 1.00 0.00 N -ATOM 252 CA PRO A 17 6.730 3.085 -0.400 1.00 0.00 C -ATOM 253 C PRO A 17 5.232 3.312 -0.095 1.00 0.00 C -ATOM 254 O PRO A 17 4.400 3.172 -0.996 1.00 0.00 O -ATOM 255 CB PRO A 17 7.438 4.403 -0.744 1.00 0.00 C -ATOM 256 CG PRO A 17 7.414 4.433 -2.270 1.00 0.00 C -ATOM 257 CD PRO A 17 7.583 2.961 -2.635 1.00 0.00 C -ATOM 258 HA PRO A 17 7.208 2.638 0.471 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.907 5.241 -0.336 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.472 4.360 -0.399 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.481 4.818 -2.635 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.216 5.048 -2.679 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.104 2.750 -3.572 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.643 2.709 -2.673 1.00 0.00 H -ATOM 265 N PRO A 18 4.878 3.687 1.151 1.00 0.00 N -ATOM 266 CA PRO A 18 3.495 3.929 1.554 1.00 0.00 C -ATOM 267 C PRO A 18 2.938 5.209 0.903 1.00 0.00 C -ATOM 268 O PRO A 18 3.617 6.239 0.913 1.00 0.00 O -ATOM 269 CB PRO A 18 3.524 4.048 3.081 1.00 0.00 C -ATOM 270 CG PRO A 18 4.937 4.549 3.376 1.00 0.00 C -ATOM 271 CD PRO A 18 5.775 3.886 2.283 1.00 0.00 C -ATOM 272 HA PRO A 18 2.889 3.069 1.280 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.789 4.750 3.425 1.00 0.00 H -ATOM 274 HB3 PRO A 18 3.390 3.061 3.527 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.989 5.618 3.306 1.00 0.00 H -ATOM 276 HG3 PRO A 18 5.272 4.261 4.373 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.593 4.522 2.003 1.00 0.00 H -ATOM 278 HD3 PRO A 18 6.135 2.918 2.635 1.00 0.00 H -ATOM 279 N PRO A 19 1.706 5.185 0.359 1.00 0.00 N -ATOM 280 CA PRO A 19 1.071 6.373 -0.198 1.00 0.00 C -ATOM 281 C PRO A 19 0.534 7.279 0.922 1.00 0.00 C -ATOM 282 O PRO A 19 0.005 6.793 1.925 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.043 5.831 -1.093 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.475 4.546 -0.383 1.00 0.00 C -ATOM 285 CD PRO A 19 0.817 4.036 0.254 1.00 0.00 C -ATOM 286 HA PRO A 19 1.785 6.932 -0.806 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.857 6.527 -1.157 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.371 5.580 -2.071 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.216 4.752 0.365 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.885 3.819 -1.084 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.616 3.632 1.228 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.276 3.286 -0.389 1.00 0.00 H -ATOM 293 N SER A 20 0.660 8.597 0.722 1.00 0.00 N -ATOM 294 CA SER A 20 0.150 9.654 1.607 1.00 0.00 C -ATOM 295 C SER A 20 -1.110 10.284 1.016 1.00 0.00 C -ATOM 296 O SER A 20 -2.094 10.380 1.786 1.00 0.00 O -ATOM 297 CB SER A 20 1.248 10.701 1.823 1.00 0.00 C -ATOM 298 OG SER A 20 0.910 11.534 2.908 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.067 10.639 -0.179 1.00 0.00 O -ATOM 300 H SER A 20 1.051 8.910 -0.152 1.00 0.00 H -ATOM 301 HA SER A 20 -0.125 9.214 2.563 1.00 0.00 H -ATOM 302 HB2 SER A 20 2.177 10.205 2.031 1.00 0.00 H -ATOM 303 HB3 SER A 20 1.371 11.300 0.918 1.00 0.00 H -ATOM 304 HG SER A 20 0.272 11.069 3.455 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 14 -ATOM 1 N ASN A 1 -6.401 7.662 -1.132 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.275 6.470 -1.269 1.00 0.00 C -ATOM 3 C ASN A 1 -6.573 5.259 -1.924 1.00 0.00 C -ATOM 4 O ASN A 1 -7.244 4.408 -2.495 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.588 6.852 -1.993 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.793 6.163 -1.354 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -9.671 5.136 -0.706 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -10.977 6.741 -1.450 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.636 7.473 -0.499 1.00 0.00 H -ATOM 10 H2 ASN A 1 -6.040 7.938 -2.035 1.00 0.00 H -ATOM 11 H3 ASN A 1 -6.938 8.429 -0.749 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.560 6.149 -0.264 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.722 7.915 -1.937 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.537 6.586 -3.050 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -11.144 7.601 -1.945 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -11.719 6.237 -0.991 1.00 0.00 H -ATOM 17 N LEU A 2 -5.236 5.147 -1.843 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.460 4.057 -2.472 1.00 0.00 C -ATOM 19 C LEU A 2 -3.853 3.067 -1.460 1.00 0.00 C -ATOM 20 O LEU A 2 -3.274 2.048 -1.840 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.389 4.680 -3.399 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.705 4.592 -4.905 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.639 3.147 -5.409 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -5.061 5.208 -5.270 1.00 0.00 C -ATOM 25 H LEU A 2 -4.672 5.849 -1.391 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.127 3.449 -3.079 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.286 5.716 -3.140 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.429 4.188 -3.232 1.00 0.00 H -ATOM 29 HG LEU A 2 -2.935 5.159 -5.430 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -2.666 2.717 -5.172 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -4.417 2.537 -4.955 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.774 3.127 -6.492 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -5.877 4.592 -4.894 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -5.138 6.211 -4.856 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -5.148 5.268 -6.356 1.00 0.00 H -ATOM 36 N TYR A 3 -4.027 3.341 -0.163 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.458 2.567 0.937 1.00 0.00 C -ATOM 38 C TYR A 3 -3.944 1.109 0.964 1.00 0.00 C -ATOM 39 O TYR A 3 -3.174 0.216 1.296 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.759 3.287 2.260 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.564 3.330 3.186 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.297 2.234 4.021 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.713 4.454 3.196 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.182 2.255 4.876 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.605 4.489 4.064 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.339 3.386 4.907 1.00 0.00 C -ATOM 47 OH TYR A 3 0.697 3.407 5.788 1.00 0.00 O -ATOM 48 H TYR A 3 -4.543 4.171 0.073 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.375 2.545 0.801 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.061 4.293 2.042 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.593 2.797 2.766 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -2.954 1.378 4.007 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.904 5.298 2.546 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -0.969 1.423 5.532 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.032 5.362 4.078 1.00 0.00 H -ATOM 56 HH TYR A 3 0.695 4.212 6.308 1.00 0.00 H -ATOM 57 N ILE A 4 -5.199 0.862 0.556 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.795 -0.478 0.440 1.00 0.00 C -ATOM 59 C ILE A 4 -4.969 -1.337 -0.529 1.00 0.00 C -ATOM 60 O ILE A 4 -4.571 -2.450 -0.193 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.277 -0.384 -0.008 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.120 0.501 0.945 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.894 -1.795 -0.096 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.475 0.918 0.356 1.00 0.00 C -ATOM 65 H ILE A 4 -5.761 1.657 0.298 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.759 -0.960 1.418 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.306 0.064 -1.002 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.297 -0.048 1.850 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.586 1.423 1.167 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.385 -2.392 -0.852 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.817 -2.302 0.867 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.945 -1.739 -0.379 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -9.330 1.364 -0.631 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -10.141 0.060 0.274 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.939 1.657 1.008 1.00 0.00 H -ATOM 76 N GLN A 5 -4.685 -0.803 -1.722 1.00 0.00 N -ATOM 77 CA GLN A 5 -3.904 -1.463 -2.769 1.00 0.00 C -ATOM 78 C GLN A 5 -2.453 -1.702 -2.326 1.00 0.00 C -ATOM 79 O GLN A 5 -1.920 -2.790 -2.539 1.00 0.00 O -ATOM 80 CB GLN A 5 -3.995 -0.617 -4.058 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.421 -1.431 -5.294 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.350 -0.621 -6.194 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.942 0.305 -6.876 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -6.636 -0.921 -6.208 1.00 0.00 N -ATOM 85 H GLN A 5 -4.991 0.144 -1.894 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.348 -2.442 -2.942 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.713 0.165 -3.902 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.039 -0.132 -4.264 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -3.546 -1.706 -5.851 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -4.941 -2.342 -4.994 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -7.025 -1.675 -5.669 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -7.188 -0.340 -6.815 1.00 0.00 H -ATOM 93 N TRP A 6 -1.834 -0.719 -1.658 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.498 -0.859 -1.070 1.00 0.00 C -ATOM 95 C TRP A 6 -0.433 -1.932 0.032 1.00 0.00 C -ATOM 96 O TRP A 6 0.497 -2.744 0.055 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.042 0.505 -0.544 1.00 0.00 C -ATOM 98 CG TRP A 6 1.340 0.516 0.026 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.480 0.543 -0.699 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.754 0.502 1.428 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.565 0.518 0.155 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.179 0.507 1.471 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.081 0.494 2.669 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.905 0.515 2.669 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.798 0.487 3.882 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.205 0.501 3.885 1.00 0.00 C -ATOM 107 H TRP A 6 -2.329 0.162 -1.554 1.00 0.00 H -ATOM 108 HA TRP A 6 0.193 -1.170 -1.855 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.076 1.206 -1.355 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.737 0.847 0.222 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.524 0.581 -1.779 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.549 0.548 -0.121 1.00 0.00 H -ATOM 113 HE3 TRP A 6 0.001 0.500 2.681 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.985 0.520 2.640 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.267 0.489 4.823 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.747 0.509 4.821 1.00 0.00 H -ATOM 117 N LEU A 7 -1.429 -1.970 0.928 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.563 -3.019 1.940 1.00 0.00 C -ATOM 119 C LEU A 7 -1.832 -4.398 1.325 1.00 0.00 C -ATOM 120 O LEU A 7 -1.302 -5.380 1.840 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.671 -2.661 2.946 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.287 -1.567 3.960 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.511 -1.233 4.821 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.148 -1.999 4.892 1.00 0.00 C -ATOM 125 H LEU A 7 -2.136 -1.238 0.898 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.618 -3.107 2.473 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.527 -2.321 2.395 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.940 -3.558 3.506 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.976 -0.668 3.433 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.316 -0.864 4.185 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.850 -2.123 5.351 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.257 -0.464 5.550 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.377 -2.965 5.340 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.217 -2.069 4.334 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -1.013 -1.260 5.680 1.00 0.00 H -ATOM 136 N LYS A 8 -2.599 -4.488 0.226 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.976 -5.755 -0.427 1.00 0.00 C -ATOM 138 C LYS A 8 -1.777 -6.638 -0.783 1.00 0.00 C -ATOM 139 O LYS A 8 -1.856 -7.858 -0.664 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.803 -5.465 -1.696 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.622 -6.677 -2.165 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.863 -6.886 -1.280 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.602 -8.185 -1.607 1.00 0.00 C -ATOM 144 NZ LYS A 8 -5.801 -9.379 -1.240 1.00 0.00 N -ATOM 145 H LYS A 8 -3.048 -3.631 -0.094 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.571 -6.320 0.286 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.477 -4.656 -1.488 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.125 -5.174 -2.502 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.937 -6.516 -3.178 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -3.995 -7.568 -2.162 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.553 -6.915 -0.253 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.542 -6.046 -1.435 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.527 -8.206 -1.063 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.842 -8.200 -2.674 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -4.958 -9.420 -1.800 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -5.526 -9.332 -0.267 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -6.335 -10.225 -1.388 1.00 0.00 H -ATOM 158 N ASP A 9 -0.693 -6.000 -1.216 1.00 0.00 N -ATOM 159 CA ASP A 9 0.577 -6.608 -1.609 1.00 0.00 C -ATOM 160 C ASP A 9 1.501 -6.893 -0.404 1.00 0.00 C -ATOM 161 O ASP A 9 2.502 -7.590 -0.554 1.00 0.00 O -ATOM 162 CB ASP A 9 1.191 -5.620 -2.609 1.00 0.00 C -ATOM 163 CG ASP A 9 2.246 -6.195 -3.544 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.842 -6.848 -4.529 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.401 -5.726 -3.445 1.00 0.00 O -ATOM 166 H ASP A 9 -0.773 -4.997 -1.309 1.00 0.00 H -ATOM 167 HA ASP A 9 0.386 -7.552 -2.122 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.396 -5.225 -3.212 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.601 -4.770 -2.070 1.00 0.00 H -ATOM 170 N GLY A 10 1.138 -6.413 0.799 1.00 0.00 N -ATOM 171 CA GLY A 10 1.851 -6.634 2.059 1.00 0.00 C -ATOM 172 C GLY A 10 2.515 -5.385 2.659 1.00 0.00 C -ATOM 173 O GLY A 10 3.469 -5.523 3.433 1.00 0.00 O -ATOM 174 H GLY A 10 0.235 -5.953 0.859 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.135 -7.004 2.792 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.606 -7.406 1.922 1.00 0.00 H -ATOM 177 N GLY A 11 2.037 -4.182 2.311 1.00 0.00 N -ATOM 178 CA GLY A 11 2.491 -2.882 2.819 1.00 0.00 C -ATOM 179 C GLY A 11 4.020 -2.705 2.788 1.00 0.00 C -ATOM 180 O GLY A 11 4.574 -2.593 1.694 1.00 0.00 O -ATOM 181 H GLY A 11 1.318 -4.166 1.598 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.060 -2.105 2.191 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.102 -2.739 3.824 1.00 0.00 H -ATOM 184 N PRO A 12 4.730 -2.700 3.937 1.00 0.00 N -ATOM 185 CA PRO A 12 6.196 -2.624 3.971 1.00 0.00 C -ATOM 186 C PRO A 12 6.905 -3.715 3.153 1.00 0.00 C -ATOM 187 O PRO A 12 8.004 -3.490 2.653 1.00 0.00 O -ATOM 188 CB PRO A 12 6.587 -2.742 5.450 1.00 0.00 C -ATOM 189 CG PRO A 12 5.333 -2.306 6.202 1.00 0.00 C -ATOM 190 CD PRO A 12 4.199 -2.770 5.292 1.00 0.00 C -ATOM 191 HA PRO A 12 6.504 -1.647 3.594 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.846 -3.754 5.696 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.442 -2.107 5.689 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.275 -2.782 7.162 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.315 -1.219 6.283 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.915 -3.777 5.531 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.335 -2.119 5.426 1.00 0.00 H -ATOM 198 N SER A 13 6.277 -4.888 3.002 1.00 0.00 N -ATOM 199 CA SER A 13 6.825 -6.021 2.248 1.00 0.00 C -ATOM 200 C SER A 13 6.595 -5.934 0.728 1.00 0.00 C -ATOM 201 O SER A 13 7.075 -6.791 -0.007 1.00 0.00 O -ATOM 202 CB SER A 13 6.342 -7.350 2.853 1.00 0.00 C -ATOM 203 OG SER A 13 4.946 -7.537 2.785 1.00 0.00 O -ATOM 204 H SER A 13 5.343 -4.969 3.391 1.00 0.00 H -ATOM 205 HA SER A 13 7.908 -6.013 2.377 1.00 0.00 H -ATOM 206 HB2 SER A 13 6.816 -8.154 2.324 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.647 -7.388 3.900 1.00 0.00 H -ATOM 208 HG SER A 13 4.461 -6.757 3.136 1.00 0.00 H -ATOM 209 N SER A 14 5.937 -4.870 0.241 1.00 0.00 N -ATOM 210 CA SER A 14 5.582 -4.659 -1.171 1.00 0.00 C -ATOM 211 C SER A 14 6.709 -4.075 -2.046 1.00 0.00 C -ATOM 212 O SER A 14 6.506 -3.867 -3.240 1.00 0.00 O -ATOM 213 CB SER A 14 4.394 -3.697 -1.249 1.00 0.00 C -ATOM 214 OG SER A 14 3.342 -4.095 -0.399 1.00 0.00 O -ATOM 215 H SER A 14 5.543 -4.204 0.899 1.00 0.00 H -ATOM 216 HA SER A 14 5.276 -5.613 -1.607 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.721 -2.717 -0.961 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.025 -3.661 -2.271 1.00 0.00 H -ATOM 219 HG SER A 14 2.975 -3.313 0.029 1.00 0.00 H -ATOM 220 N GLY A 15 7.873 -3.737 -1.470 1.00 0.00 N -ATOM 221 CA GLY A 15 8.999 -3.132 -2.201 1.00 0.00 C -ATOM 222 C GLY A 15 8.848 -1.633 -2.516 1.00 0.00 C -ATOM 223 O GLY A 15 9.535 -1.130 -3.401 1.00 0.00 O -ATOM 224 H GLY A 15 7.986 -3.973 -0.495 1.00 0.00 H -ATOM 225 HA2 GLY A 15 9.912 -3.262 -1.623 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.130 -3.657 -3.149 1.00 0.00 H -ATOM 227 N ARG A 16 7.939 -0.924 -1.830 1.00 0.00 N -ATOM 228 CA ARG A 16 7.559 0.475 -2.105 1.00 0.00 C -ATOM 229 C ARG A 16 7.032 1.175 -0.838 1.00 0.00 C -ATOM 230 O ARG A 16 6.351 0.518 -0.047 1.00 0.00 O -ATOM 231 CB ARG A 16 6.517 0.515 -3.247 1.00 0.00 C -ATOM 232 CG ARG A 16 5.357 -0.489 -3.097 1.00 0.00 C -ATOM 233 CD ARG A 16 4.496 -0.583 -4.360 1.00 0.00 C -ATOM 234 NE ARG A 16 3.700 -1.826 -4.349 1.00 0.00 N -ATOM 235 CZ ARG A 16 3.398 -2.606 -5.380 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.636 -2.252 -6.620 1.00 0.00 N -ATOM 237 NH2 ARG A 16 2.850 -3.774 -5.180 1.00 0.00 N -ATOM 238 H ARG A 16 7.441 -1.405 -1.093 1.00 0.00 H -ATOM 239 HA ARG A 16 8.452 1.000 -2.443 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.101 1.503 -3.285 1.00 0.00 H -ATOM 241 HB3 ARG A 16 7.040 0.296 -4.178 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.766 -1.458 -2.886 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.736 -0.217 -2.247 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.834 0.260 -4.400 1.00 0.00 H -ATOM 245 HD3 ARG A 16 5.162 -0.588 -5.225 1.00 0.00 H -ATOM 246 HE ARG A 16 3.410 -2.188 -3.456 1.00 0.00 H -ATOM 247 HH11 ARG A 16 4.099 -1.379 -6.787 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.425 -2.883 -7.370 1.00 0.00 H -ATOM 249 HH21 ARG A 16 3.013 -4.274 -4.292 1.00 0.00 H -ATOM 250 HH22 ARG A 16 2.589 -4.386 -5.930 1.00 0.00 H -ATOM 251 N PRO A 17 7.296 2.484 -0.642 1.00 0.00 N -ATOM 252 CA PRO A 17 6.862 3.230 0.546 1.00 0.00 C -ATOM 253 C PRO A 17 5.336 3.464 0.578 1.00 0.00 C -ATOM 254 O PRO A 17 4.676 3.310 -0.454 1.00 0.00 O -ATOM 255 CB PRO A 17 7.636 4.555 0.478 1.00 0.00 C -ATOM 256 CG PRO A 17 7.830 4.776 -1.020 1.00 0.00 C -ATOM 257 CD PRO A 17 8.034 3.357 -1.545 1.00 0.00 C -ATOM 258 HA PRO A 17 7.157 2.685 1.444 1.00 0.00 H -ATOM 259 HB2 PRO A 17 7.068 5.354 0.914 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.609 4.434 0.956 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.963 5.230 -1.460 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.689 5.414 -1.228 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.651 3.270 -2.543 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.094 3.104 -1.509 1.00 0.00 H -ATOM 265 N PRO A 18 4.762 3.851 1.737 1.00 0.00 N -ATOM 266 CA PRO A 18 3.324 4.085 1.879 1.00 0.00 C -ATOM 267 C PRO A 18 2.832 5.288 1.045 1.00 0.00 C -ATOM 268 O PRO A 18 3.507 6.319 1.003 1.00 0.00 O -ATOM 269 CB PRO A 18 3.085 4.299 3.378 1.00 0.00 C -ATOM 270 CG PRO A 18 4.437 4.766 3.908 1.00 0.00 C -ATOM 271 CD PRO A 18 5.429 4.018 3.023 1.00 0.00 C -ATOM 272 HA PRO A 18 2.803 3.182 1.576 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.333 5.047 3.541 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.823 3.348 3.843 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.548 5.828 3.800 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.568 4.519 4.962 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.330 4.589 2.906 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.634 3.036 3.452 1.00 0.00 H -ATOM 279 N PRO A 19 1.660 5.185 0.385 1.00 0.00 N -ATOM 280 CA PRO A 19 1.102 6.250 -0.443 1.00 0.00 C -ATOM 281 C PRO A 19 0.321 7.283 0.390 1.00 0.00 C -ATOM 282 O PRO A 19 -0.811 7.023 0.804 1.00 0.00 O -ATOM 283 CB PRO A 19 0.206 5.530 -1.455 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.321 4.332 -0.664 1.00 0.00 C -ATOM 285 CD PRO A 19 0.850 3.979 0.253 1.00 0.00 C -ATOM 286 HA PRO A 19 1.900 6.759 -0.984 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.598 6.163 -1.776 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.818 5.174 -2.286 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.190 4.599 -0.094 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.584 3.506 -1.323 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.487 3.671 1.214 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.451 3.202 -0.216 1.00 0.00 H -ATOM 293 N SER A 20 0.922 8.471 0.555 1.00 0.00 N -ATOM 294 CA SER A 20 0.386 9.673 1.224 1.00 0.00 C -ATOM 295 C SER A 20 0.416 9.627 2.763 1.00 0.00 C -ATOM 296 O SER A 20 1.001 8.684 3.339 1.00 0.00 O -ATOM 297 CB SER A 20 -1.018 10.026 0.706 1.00 0.00 C -ATOM 298 OG SER A 20 -1.373 11.233 1.334 1.00 0.00 O -ATOM 299 OXT SER A 20 -0.165 10.594 3.315 1.00 0.00 O -ATOM 300 H SER A 20 1.888 8.511 0.265 1.00 0.00 H -ATOM 301 HA SER A 20 1.034 10.508 0.958 1.00 0.00 H -ATOM 302 HB2 SER A 20 -1.001 10.151 -0.360 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.730 9.255 1.002 1.00 0.00 H -ATOM 304 HG SER A 20 -0.935 11.116 2.254 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 15 -ATOM 1 N ASN A 1 -5.555 8.004 -1.532 1.00 0.00 N -ATOM 2 CA ASN A 1 -6.571 6.932 -1.361 1.00 0.00 C -ATOM 3 C ASN A 1 -6.105 5.544 -1.850 1.00 0.00 C -ATOM 4 O ASN A 1 -6.936 4.715 -2.200 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.897 7.340 -2.038 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.071 6.615 -1.385 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -9.297 6.771 -0.197 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -9.821 5.802 -2.107 1.00 0.00 N -ATOM 9 H1 ASN A 1 -4.747 7.831 -0.949 1.00 0.00 H -ATOM 10 H2 ASN A 1 -5.271 8.069 -2.500 1.00 0.00 H -ATOM 11 H3 ASN A 1 -5.951 8.893 -1.252 1.00 0.00 H -ATOM 12 HA ASN A 1 -6.784 6.837 -0.294 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.035 8.399 -1.937 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -7.861 7.128 -3.108 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -9.603 5.565 -3.060 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -10.562 5.348 -1.598 1.00 0.00 H -ATOM 17 N LEU A 2 -4.794 5.254 -1.881 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.259 3.990 -2.422 1.00 0.00 C -ATOM 19 C LEU A 2 -3.783 3.017 -1.328 1.00 0.00 C -ATOM 20 O LEU A 2 -3.304 1.928 -1.638 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.148 4.316 -3.442 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.647 5.049 -4.702 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -2.468 5.586 -5.520 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -4.488 4.133 -5.599 1.00 0.00 C -ATOM 25 H LEU A 2 -4.097 5.917 -1.583 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.044 3.453 -2.954 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -2.418 4.936 -2.958 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.649 3.395 -3.748 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.253 5.904 -4.403 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -1.705 6.004 -4.864 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.024 4.789 -6.119 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -2.821 6.376 -6.183 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -3.921 3.235 -5.845 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -5.413 3.854 -5.094 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -4.743 4.655 -6.521 1.00 0.00 H -ATOM 36 N TYR A 3 -3.936 3.389 -0.051 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.430 2.642 1.105 1.00 0.00 C -ATOM 38 C TYR A 3 -3.954 1.198 1.152 1.00 0.00 C -ATOM 39 O TYR A 3 -3.201 0.279 1.464 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.762 3.414 2.395 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.656 3.341 3.430 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.409 2.135 4.112 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.845 4.468 3.678 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.337 2.043 5.019 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.773 4.382 4.586 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.505 3.158 5.243 1.00 0.00 C -ATOM 47 OH TYR A 3 0.567 3.040 6.071 1.00 0.00 O -ATOM 48 H TYR A 3 -4.366 4.282 0.125 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.345 2.592 1.013 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.928 4.444 2.144 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.687 3.030 2.829 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.032 1.273 3.926 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -2.028 5.403 3.166 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.128 1.119 5.535 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.160 5.252 4.768 1.00 0.00 H -ATOM 56 HH TYR A 3 1.163 3.787 5.994 1.00 0.00 H -ATOM 57 N ILE A 4 -5.227 0.988 0.788 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.849 -0.340 0.711 1.00 0.00 C -ATOM 59 C ILE A 4 -5.125 -1.216 -0.325 1.00 0.00 C -ATOM 60 O ILE A 4 -4.736 -2.340 -0.013 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.369 -0.238 0.414 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.095 0.818 1.288 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.031 -1.608 0.641 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.378 2.119 0.526 1.00 0.00 C -ATOM 65 H ILE A 4 -5.784 1.799 0.563 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.728 -0.819 1.684 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.507 0.023 -0.637 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.027 0.405 1.622 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.505 1.038 2.179 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.517 -2.377 0.069 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.986 -1.872 1.699 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.075 -1.566 0.331 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.483 2.471 0.011 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.168 1.948 -0.207 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.711 2.887 1.226 1.00 0.00 H -ATOM 76 N GLN A 5 -4.916 -0.702 -1.546 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.150 -1.391 -2.590 1.00 0.00 C -ATOM 78 C GLN A 5 -2.691 -1.624 -2.173 1.00 0.00 C -ATOM 79 O GLN A 5 -2.176 -2.721 -2.360 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.230 -0.639 -3.931 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.625 -0.733 -4.579 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.546 -0.884 -6.097 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.814 -1.942 -6.641 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -5.189 0.150 -6.835 1.00 0.00 N -ATOM 85 H GLN A 5 -5.185 0.257 -1.709 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.580 -2.380 -2.738 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -3.999 0.395 -3.760 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.503 -1.090 -4.608 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -6.138 -1.583 -4.173 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.209 0.153 -4.330 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.962 1.049 -6.453 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -5.143 -0.061 -7.818 1.00 0.00 H -ATOM 93 N TRP A 6 -2.038 -0.638 -1.550 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.680 -0.802 -1.023 1.00 0.00 C -ATOM 95 C TRP A 6 -0.581 -1.902 0.052 1.00 0.00 C -ATOM 96 O TRP A 6 0.370 -2.683 0.054 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.182 0.548 -0.505 1.00 0.00 C -ATOM 98 CG TRP A 6 1.217 0.527 0.021 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.341 0.528 -0.734 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.664 0.460 1.409 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.445 0.460 0.092 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.088 0.426 1.419 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.014 0.427 2.664 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.837 0.383 2.600 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.756 0.370 3.860 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.163 0.355 3.831 1.00 0.00 C -ATOM 107 H TRP A 6 -2.505 0.261 -1.452 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.030 -1.112 -1.845 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.227 1.255 -1.311 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.844 0.890 0.290 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.361 0.562 -1.814 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.420 0.464 -0.212 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.065 0.453 2.696 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.916 0.365 2.548 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.242 0.352 4.811 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.723 0.327 4.755 1.00 0.00 H -ATOM 117 N LEU A 7 -1.576 -2.011 0.945 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.649 -3.105 1.914 1.00 0.00 C -ATOM 119 C LEU A 7 -1.882 -4.474 1.254 1.00 0.00 C -ATOM 120 O LEU A 7 -1.265 -5.442 1.698 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.712 -2.809 2.985 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.272 -1.754 4.020 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.470 -1.358 4.888 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.166 -2.267 4.955 1.00 0.00 C -ATOM 125 H LEU A 7 -2.302 -1.297 0.951 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.678 -3.182 2.402 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.598 -2.454 2.494 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.946 -3.732 3.519 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.907 -0.864 3.508 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.258 -0.942 4.261 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.855 -2.232 5.416 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.169 -0.607 5.619 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.504 -3.160 5.481 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.268 -2.501 4.389 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.914 -1.496 5.684 1.00 0.00 H -ATOM 136 N LYS A 8 -2.698 -4.571 0.188 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.920 -5.824 -0.568 1.00 0.00 C -ATOM 138 C LYS A 8 -1.620 -6.483 -1.050 1.00 0.00 C -ATOM 139 O LYS A 8 -1.511 -7.703 -0.966 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.867 -5.590 -1.762 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.354 -5.831 -1.453 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.249 -4.698 -1.982 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.691 -5.177 -2.180 1.00 0.00 C -ATOM 144 NZ LYS A 8 -8.665 -4.079 -1.976 1.00 0.00 N -ATOM 145 H LYS A 8 -3.180 -3.726 -0.103 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.374 -6.556 0.102 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.752 -4.574 -2.087 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.594 -6.271 -2.572 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.657 -6.753 -1.911 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.512 -5.922 -0.377 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.243 -3.889 -1.277 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.872 -4.334 -2.938 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.798 -5.556 -3.178 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.897 -5.991 -1.480 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -8.685 -3.817 -0.999 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -8.405 -3.272 -2.528 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -9.592 -4.377 -2.248 1.00 0.00 H -ATOM 158 N ASP A 9 -0.639 -5.703 -1.510 1.00 0.00 N -ATOM 159 CA ASP A 9 0.688 -6.202 -1.905 1.00 0.00 C -ATOM 160 C ASP A 9 1.568 -6.674 -0.725 1.00 0.00 C -ATOM 161 O ASP A 9 2.581 -7.332 -0.959 1.00 0.00 O -ATOM 162 CB ASP A 9 1.424 -5.117 -2.708 1.00 0.00 C -ATOM 163 CG ASP A 9 1.030 -5.128 -4.186 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.004 -4.494 -4.518 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.768 -5.764 -4.970 1.00 0.00 O -ATOM 166 H ASP A 9 -0.835 -4.715 -1.632 1.00 0.00 H -ATOM 167 HA ASP A 9 0.559 -7.070 -2.554 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.184 -4.157 -2.293 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.495 -5.299 -2.651 1.00 0.00 H -ATOM 170 N GLY A 10 1.193 -6.382 0.530 1.00 0.00 N -ATOM 171 CA GLY A 10 1.971 -6.722 1.726 1.00 0.00 C -ATOM 172 C GLY A 10 2.536 -5.512 2.484 1.00 0.00 C -ATOM 173 O GLY A 10 3.434 -5.686 3.319 1.00 0.00 O -ATOM 174 H GLY A 10 0.285 -5.945 0.663 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.329 -7.276 2.410 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.805 -7.370 1.457 1.00 0.00 H -ATOM 177 N GLY A 11 2.052 -4.294 2.195 1.00 0.00 N -ATOM 178 CA GLY A 11 2.478 -3.045 2.826 1.00 0.00 C -ATOM 179 C GLY A 11 4.005 -2.879 2.813 1.00 0.00 C -ATOM 180 O GLY A 11 4.582 -2.906 1.721 1.00 0.00 O -ATOM 181 H GLY A 11 1.402 -4.219 1.418 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.046 -2.213 2.270 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.084 -3.016 3.839 1.00 0.00 H -ATOM 184 N PRO A 12 4.692 -2.759 3.973 1.00 0.00 N -ATOM 185 CA PRO A 12 6.152 -2.629 4.039 1.00 0.00 C -ATOM 186 C PRO A 12 6.923 -3.746 3.321 1.00 0.00 C -ATOM 187 O PRO A 12 8.027 -3.514 2.831 1.00 0.00 O -ATOM 188 CB PRO A 12 6.510 -2.622 5.531 1.00 0.00 C -ATOM 189 CG PRO A 12 5.218 -2.200 6.225 1.00 0.00 C -ATOM 190 CD PRO A 12 4.129 -2.762 5.317 1.00 0.00 C -ATOM 191 HA PRO A 12 6.435 -1.671 3.598 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.814 -3.599 5.854 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.322 -1.925 5.744 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.154 -2.624 7.209 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.152 -1.112 6.247 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.874 -3.761 5.613 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.237 -2.141 5.389 1.00 0.00 H -ATOM 198 N SER A 13 6.342 -4.949 3.227 1.00 0.00 N -ATOM 199 CA SER A 13 6.953 -6.108 2.565 1.00 0.00 C -ATOM 200 C SER A 13 6.835 -6.089 1.028 1.00 0.00 C -ATOM 201 O SER A 13 7.310 -7.013 0.372 1.00 0.00 O -ATOM 202 CB SER A 13 6.418 -7.407 3.189 1.00 0.00 C -ATOM 203 OG SER A 13 5.049 -7.646 2.925 1.00 0.00 O -ATOM 204 H SER A 13 5.398 -5.042 3.586 1.00 0.00 H -ATOM 205 HA SER A 13 8.021 -6.087 2.780 1.00 0.00 H -ATOM 206 HB2 SER A 13 6.986 -8.229 2.798 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.570 -7.367 4.269 1.00 0.00 H -ATOM 208 HG SER A 13 4.491 -6.875 3.179 1.00 0.00 H -ATOM 209 N SER A 14 6.261 -5.024 0.445 1.00 0.00 N -ATOM 210 CA SER A 14 5.991 -4.891 -1.000 1.00 0.00 C -ATOM 211 C SER A 14 7.137 -4.279 -1.817 1.00 0.00 C -ATOM 212 O SER A 14 7.039 -4.212 -3.040 1.00 0.00 O -ATOM 213 CB SER A 14 4.767 -3.997 -1.251 1.00 0.00 C -ATOM 214 OG SER A 14 3.740 -4.198 -0.309 1.00 0.00 O -ATOM 215 H SER A 14 5.896 -4.305 1.059 1.00 0.00 H -ATOM 216 HA SER A 14 5.772 -5.881 -1.404 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.077 -2.971 -1.206 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.387 -4.198 -2.253 1.00 0.00 H -ATOM 219 HG SER A 14 3.989 -3.688 0.498 1.00 0.00 H -ATOM 220 N GLY A 15 8.190 -3.753 -1.173 1.00 0.00 N -ATOM 221 CA GLY A 15 9.278 -3.048 -1.864 1.00 0.00 C -ATOM 222 C GLY A 15 8.923 -1.636 -2.363 1.00 0.00 C -ATOM 223 O GLY A 15 9.597 -1.125 -3.256 1.00 0.00 O -ATOM 224 H GLY A 15 8.230 -3.874 -0.169 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.132 -2.963 -1.193 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.593 -3.638 -2.728 1.00 0.00 H -ATOM 227 N ARG A 16 7.874 -1.002 -1.812 1.00 0.00 N -ATOM 228 CA ARG A 16 7.382 0.330 -2.201 1.00 0.00 C -ATOM 229 C ARG A 16 6.915 1.120 -0.964 1.00 0.00 C -ATOM 230 O ARG A 16 6.231 0.524 -0.128 1.00 0.00 O -ATOM 231 CB ARG A 16 6.224 0.134 -3.199 1.00 0.00 C -ATOM 232 CG ARG A 16 5.717 1.452 -3.807 1.00 0.00 C -ATOM 233 CD ARG A 16 4.513 1.235 -4.737 1.00 0.00 C -ATOM 234 NE ARG A 16 4.760 1.773 -6.087 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.414 1.176 -7.078 1.00 0.00 C -ATOM 236 NH1 ARG A 16 5.904 -0.036 -6.958 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.592 1.801 -8.218 1.00 0.00 N -ATOM 238 H ARG A 16 7.386 -1.480 -1.068 1.00 0.00 H -ATOM 239 HA ARG A 16 8.193 0.866 -2.695 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.564 -0.500 -3.995 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.397 -0.368 -2.693 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.425 2.110 -3.011 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.533 1.921 -4.356 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.318 0.183 -4.813 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.650 1.750 -4.307 1.00 0.00 H -ATOM 246 HE ARG A 16 4.417 2.701 -6.269 1.00 0.00 H -ATOM 247 HH11 ARG A 16 5.763 -0.524 -6.091 1.00 0.00 H -ATOM 248 HH12 ARG A 16 6.395 -0.483 -7.711 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.241 2.733 -8.353 1.00 0.00 H -ATOM 250 HH22 ARG A 16 6.087 1.345 -8.963 1.00 0.00 H -ATOM 251 N PRO A 17 7.201 2.434 -0.845 1.00 0.00 N -ATOM 252 CA PRO A 17 6.709 3.260 0.266 1.00 0.00 C -ATOM 253 C PRO A 17 5.174 3.417 0.252 1.00 0.00 C -ATOM 254 O PRO A 17 4.553 3.245 -0.801 1.00 0.00 O -ATOM 255 CB PRO A 17 7.409 4.616 0.102 1.00 0.00 C -ATOM 256 CG PRO A 17 7.686 4.697 -1.397 1.00 0.00 C -ATOM 257 CD PRO A 17 7.996 3.247 -1.757 1.00 0.00 C -ATOM 258 HA PRO A 17 7.014 2.807 1.209 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.770 5.418 0.418 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.355 4.606 0.646 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.826 5.053 -1.931 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.523 5.360 -1.621 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.719 3.047 -2.774 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.056 3.045 -1.589 1.00 0.00 H -ATOM 265 N PRO A 18 4.551 3.769 1.395 1.00 0.00 N -ATOM 266 CA PRO A 18 3.107 3.972 1.479 1.00 0.00 C -ATOM 267 C PRO A 18 2.667 5.246 0.736 1.00 0.00 C -ATOM 268 O PRO A 18 3.406 6.231 0.715 1.00 0.00 O -ATOM 269 CB PRO A 18 2.790 4.070 2.975 1.00 0.00 C -ATOM 270 CG PRO A 18 4.088 4.608 3.577 1.00 0.00 C -ATOM 271 CD PRO A 18 5.169 3.986 2.696 1.00 0.00 C -ATOM 272 HA PRO A 18 2.605 3.104 1.061 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.976 4.746 3.152 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.591 3.076 3.371 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.120 5.679 3.526 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.200 4.315 4.621 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.005 4.652 2.605 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.478 3.028 3.113 1.00 0.00 H -ATOM 279 N PRO A 19 1.453 5.261 0.157 1.00 0.00 N -ATOM 280 CA PRO A 19 0.895 6.437 -0.497 1.00 0.00 C -ATOM 281 C PRO A 19 0.313 7.426 0.527 1.00 0.00 C -ATOM 282 O PRO A 19 -0.289 7.024 1.526 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.191 5.879 -1.419 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.709 4.662 -0.648 1.00 0.00 C -ATOM 285 CD PRO A 19 0.528 4.140 0.072 1.00 0.00 C -ATOM 286 HA PRO A 19 1.661 6.937 -1.093 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.972 6.598 -1.574 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.264 5.549 -2.354 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.469 4.948 0.054 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.113 3.904 -1.316 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.269 3.796 1.055 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.983 3.342 -0.516 1.00 0.00 H -ATOM 293 N SER A 20 0.435 8.721 0.221 1.00 0.00 N -ATOM 294 CA SER A 20 -0.096 9.858 0.986 1.00 0.00 C -ATOM 295 C SER A 20 -0.738 10.863 0.030 1.00 0.00 C -ATOM 296 O SER A 20 0.078 11.508 -0.677 1.00 0.00 O -ATOM 297 CB SER A 20 1.036 10.515 1.790 1.00 0.00 C -ATOM 298 OG SER A 20 1.921 11.080 0.848 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.985 10.935 0.010 1.00 0.00 O -ATOM 300 H SER A 20 0.966 8.976 -0.599 1.00 0.00 H -ATOM 301 HA SER A 20 -0.871 9.518 1.672 1.00 0.00 H -ATOM 302 HB2 SER A 20 0.640 11.279 2.431 1.00 0.00 H -ATOM 303 HB3 SER A 20 1.548 9.780 2.415 1.00 0.00 H -ATOM 304 HG SER A 20 1.284 11.357 0.104 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 16 -ATOM 1 N ASN A 1 -8.985 3.821 -0.843 1.00 0.00 N -ATOM 2 CA ASN A 1 -8.461 2.997 -1.957 1.00 0.00 C -ATOM 3 C ASN A 1 -6.942 2.892 -1.960 1.00 0.00 C -ATOM 4 O ASN A 1 -6.453 1.798 -1.714 1.00 0.00 O -ATOM 5 CB ASN A 1 -9.056 3.439 -3.298 1.00 0.00 C -ATOM 6 CG ASN A 1 -10.516 3.025 -3.296 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -11.303 3.596 -2.558 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -10.879 1.968 -3.997 1.00 0.00 N -ATOM 9 H1 ASN A 1 -8.630 3.491 0.044 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.733 4.791 -0.971 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.999 3.760 -0.843 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.800 1.972 -1.795 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.975 4.504 -3.404 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.543 2.956 -4.125 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -10.234 1.458 -4.583 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -11.851 1.711 -3.928 1.00 0.00 H -ATOM 17 N LEU A 2 -6.201 3.988 -2.170 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.729 4.023 -2.199 1.00 0.00 C -ATOM 19 C LEU A 2 -4.037 3.168 -1.116 1.00 0.00 C -ATOM 20 O LEU A 2 -3.314 2.226 -1.445 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.249 5.491 -2.208 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.830 6.411 -1.102 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.744 6.981 -0.191 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -5.610 7.577 -1.716 1.00 0.00 C -ATOM 25 H LEU A 2 -6.656 4.854 -2.419 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.416 3.587 -3.149 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.181 5.487 -2.102 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -4.495 5.911 -3.186 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.519 5.848 -0.473 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -3.233 6.180 0.339 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.013 7.542 -0.773 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.187 7.648 0.549 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -4.940 8.203 -2.305 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -6.406 7.203 -2.358 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -6.050 8.182 -0.924 1.00 0.00 H -ATOM 36 N TYR A 3 -4.276 3.462 0.168 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.662 2.734 1.282 1.00 0.00 C -ATOM 38 C TYR A 3 -4.055 1.248 1.304 1.00 0.00 C -ATOM 39 O TYR A 3 -3.199 0.393 1.521 1.00 0.00 O -ATOM 40 CB TYR A 3 -4.017 3.443 2.599 1.00 0.00 C -ATOM 41 CG TYR A 3 -3.241 2.974 3.819 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -1.832 2.899 3.785 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -3.928 2.662 5.010 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.115 2.469 4.918 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -3.214 2.261 6.153 1.00 0.00 C -ATOM 46 CZ TYR A 3 -1.810 2.142 6.104 1.00 0.00 C -ATOM 47 OH TYR A 3 -1.150 1.670 7.197 1.00 0.00 O -ATOM 48 H TYR A 3 -4.837 4.272 0.378 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.581 2.779 1.145 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.831 4.492 2.471 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -5.087 3.318 2.784 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -1.288 3.179 2.895 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -5.005 2.735 5.060 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -0.037 2.418 4.887 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -3.725 2.015 7.071 1.00 0.00 H -ATOM 56 HH TYR A 3 -0.473 1.035 6.968 1.00 0.00 H -ATOM 57 N ILE A 4 -5.324 0.935 1.003 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.835 -0.433 0.848 1.00 0.00 C -ATOM 59 C ILE A 4 -5.070 -1.165 -0.259 1.00 0.00 C -ATOM 60 O ILE A 4 -4.556 -2.249 -0.010 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.373 -0.454 0.628 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.119 0.069 1.882 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.865 -1.878 0.304 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.406 1.577 1.860 1.00 0.00 C -ATOM 65 H ILE A 4 -5.933 1.699 0.766 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.626 -0.976 1.772 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.639 0.170 -0.222 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.055 -0.451 1.958 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.537 -0.172 2.773 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.467 -2.211 -0.654 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.552 -2.574 1.084 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.953 -1.892 0.229 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.613 2.129 1.361 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.347 1.759 1.338 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.496 1.941 2.884 1.00 0.00 H -ATOM 76 N GLN A 5 -4.953 -0.577 -1.456 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.193 -1.137 -2.578 1.00 0.00 C -ATOM 78 C GLN A 5 -2.737 -1.444 -2.205 1.00 0.00 C -ATOM 79 O GLN A 5 -2.269 -2.544 -2.502 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.275 -0.188 -3.786 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.565 -0.416 -4.589 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.973 0.808 -5.398 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -7.023 1.388 -5.178 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -5.173 1.247 -6.352 1.00 0.00 N -ATOM 85 H GLN A 5 -5.394 0.332 -1.576 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.644 -2.090 -2.855 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.256 0.826 -3.436 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.423 -0.354 -4.446 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.411 -1.237 -5.262 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.383 -0.657 -3.908 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.298 0.808 -6.577 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -5.526 2.044 -6.855 1.00 0.00 H -ATOM 93 N TRP A 6 -2.045 -0.512 -1.537 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.676 -0.717 -1.051 1.00 0.00 C -ATOM 95 C TRP A 6 -0.574 -1.823 0.011 1.00 0.00 C -ATOM 96 O TRP A 6 0.277 -2.708 -0.097 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.129 0.610 -0.523 1.00 0.00 C -ATOM 98 CG TRP A 6 1.281 0.547 -0.017 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.388 0.529 -0.785 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.751 0.483 1.369 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.510 0.450 0.021 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.175 0.431 1.351 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.129 0.466 2.636 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.949 0.390 2.518 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.894 0.408 3.818 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.300 0.384 3.763 1.00 0.00 C -ATOM 107 H TRP A 6 -2.501 0.381 -1.357 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.053 -1.031 -1.891 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.167 1.328 -1.319 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.772 0.969 0.281 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.399 0.570 -1.868 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.480 0.455 -0.290 1.00 0.00 H -ATOM 113 HE3 TRP A 6 0.051 0.501 2.690 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 5.027 0.361 2.446 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.403 0.391 4.779 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.881 0.356 4.673 1.00 0.00 H -ATOM 117 N LEU A 7 -1.457 -1.813 1.020 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.515 -2.880 2.022 1.00 0.00 C -ATOM 119 C LEU A 7 -1.825 -4.246 1.392 1.00 0.00 C -ATOM 120 O LEU A 7 -1.201 -5.233 1.781 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.540 -2.533 3.116 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.096 -1.425 4.093 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.250 -1.130 5.052 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.870 -1.826 4.923 1.00 0.00 C -ATOM 125 H LEU A 7 -2.129 -1.050 1.079 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.530 -2.978 2.476 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.444 -2.212 2.636 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.739 -3.435 3.698 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.858 -0.515 3.546 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.089 -0.709 4.497 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.566 -2.044 5.557 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.934 -0.410 5.803 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.062 -2.759 5.451 1.00 0.00 H -ATOM 134 HD22 LEU A 7 0.000 -1.946 4.281 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.647 -1.045 5.648 1.00 0.00 H -ATOM 136 N LYS A 8 -2.718 -4.307 0.394 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.085 -5.532 -0.333 1.00 0.00 C -ATOM 138 C LYS A 8 -1.882 -6.223 -0.984 1.00 0.00 C -ATOM 139 O LYS A 8 -1.848 -7.448 -1.047 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.149 -5.208 -1.398 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.972 -6.445 -1.780 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.913 -6.206 -2.971 1.00 0.00 C -ATOM 143 CE LYS A 8 -5.170 -6.233 -4.317 1.00 0.00 C -ATOM 144 NZ LYS A 8 -4.735 -4.890 -4.767 1.00 0.00 N -ATOM 145 H LYS A 8 -3.216 -3.446 0.170 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.506 -6.236 0.387 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.811 -4.457 -1.010 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.649 -4.799 -2.275 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.296 -7.239 -2.034 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.577 -6.724 -0.915 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.664 -6.972 -2.976 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.467 -5.274 -2.843 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -4.303 -6.857 -4.216 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -5.841 -6.664 -5.066 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -5.540 -4.295 -4.905 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -4.116 -4.470 -4.084 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -4.232 -4.964 -5.642 1.00 0.00 H -ATOM 158 N ASP A 9 -0.902 -5.444 -1.456 1.00 0.00 N -ATOM 159 CA ASP A 9 0.348 -5.945 -2.038 1.00 0.00 C -ATOM 160 C ASP A 9 1.310 -6.525 -0.977 1.00 0.00 C -ATOM 161 O ASP A 9 2.208 -7.294 -1.310 1.00 0.00 O -ATOM 162 CB ASP A 9 1.013 -4.797 -2.817 1.00 0.00 C -ATOM 163 CG ASP A 9 1.703 -5.285 -4.093 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.950 -5.620 -5.038 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.951 -5.273 -4.135 1.00 0.00 O -ATOM 166 H ASP A 9 -1.024 -4.442 -1.395 1.00 0.00 H -ATOM 167 HA ASP A 9 0.107 -6.748 -2.738 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.261 -4.080 -3.084 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.722 -4.274 -2.176 1.00 0.00 H -ATOM 170 N GLY A 10 1.095 -6.194 0.306 1.00 0.00 N -ATOM 171 CA GLY A 10 1.925 -6.595 1.444 1.00 0.00 C -ATOM 172 C GLY A 10 2.500 -5.422 2.247 1.00 0.00 C -ATOM 173 O GLY A 10 3.312 -5.648 3.146 1.00 0.00 O -ATOM 174 H GLY A 10 0.256 -5.661 0.510 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.317 -7.196 2.118 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.758 -7.207 1.101 1.00 0.00 H -ATOM 177 N GLY A 11 2.118 -4.173 1.938 1.00 0.00 N -ATOM 178 CA GLY A 11 2.643 -2.980 2.600 1.00 0.00 C -ATOM 179 C GLY A 11 4.177 -2.920 2.520 1.00 0.00 C -ATOM 180 O GLY A 11 4.704 -2.996 1.404 1.00 0.00 O -ATOM 181 H GLY A 11 1.494 -4.036 1.148 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.239 -2.102 2.100 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.298 -2.976 3.632 1.00 0.00 H -ATOM 184 N PRO A 12 4.917 -2.819 3.647 1.00 0.00 N -ATOM 185 CA PRO A 12 6.382 -2.799 3.646 1.00 0.00 C -ATOM 186 C PRO A 12 7.030 -4.001 2.943 1.00 0.00 C -ATOM 187 O PRO A 12 8.063 -3.835 2.294 1.00 0.00 O -ATOM 188 CB PRO A 12 6.809 -2.746 5.118 1.00 0.00 C -ATOM 189 CG PRO A 12 5.582 -2.203 5.844 1.00 0.00 C -ATOM 190 CD PRO A 12 4.419 -2.739 5.012 1.00 0.00 C -ATOM 191 HA PRO A 12 6.713 -1.886 3.148 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.061 -3.725 5.477 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.675 -2.096 5.258 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.537 -2.571 6.851 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.587 -1.112 5.807 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.125 -3.710 5.361 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.565 -2.068 5.100 1.00 0.00 H -ATOM 198 N SER A 13 6.415 -5.193 3.014 1.00 0.00 N -ATOM 199 CA SER A 13 6.932 -6.420 2.383 1.00 0.00 C -ATOM 200 C SER A 13 7.055 -6.302 0.860 1.00 0.00 C -ATOM 201 O SER A 13 7.865 -6.999 0.255 1.00 0.00 O -ATOM 202 CB SER A 13 6.032 -7.613 2.710 1.00 0.00 C -ATOM 203 OG SER A 13 5.997 -7.832 4.106 1.00 0.00 O -ATOM 204 H SER A 13 5.544 -5.278 3.527 1.00 0.00 H -ATOM 205 HA SER A 13 7.927 -6.625 2.782 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.038 -7.414 2.358 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.424 -8.504 2.218 1.00 0.00 H -ATOM 208 HG SER A 13 5.429 -8.585 4.283 1.00 0.00 H -ATOM 209 N SER A 14 6.287 -5.390 0.254 1.00 0.00 N -ATOM 210 CA SER A 14 6.322 -5.050 -1.172 1.00 0.00 C -ATOM 211 C SER A 14 7.593 -4.289 -1.582 1.00 0.00 C -ATOM 212 O SER A 14 7.834 -4.108 -2.773 1.00 0.00 O -ATOM 213 CB SER A 14 5.101 -4.192 -1.567 1.00 0.00 C -ATOM 214 OG SER A 14 4.017 -4.292 -0.662 1.00 0.00 O -ATOM 215 H SER A 14 5.633 -4.881 0.831 1.00 0.00 H -ATOM 216 HA SER A 14 6.280 -5.977 -1.745 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.409 -3.165 -1.614 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.775 -4.489 -2.563 1.00 0.00 H -ATOM 219 HG SER A 14 4.222 -3.726 0.121 1.00 0.00 H -ATOM 220 N GLY A 15 8.386 -3.785 -0.622 1.00 0.00 N -ATOM 221 CA GLY A 15 9.603 -3.011 -0.885 1.00 0.00 C -ATOM 222 C GLY A 15 9.362 -1.593 -1.427 1.00 0.00 C -ATOM 223 O GLY A 15 10.306 -0.952 -1.881 1.00 0.00 O -ATOM 224 H GLY A 15 8.154 -3.973 0.353 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.169 -2.923 0.042 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.220 -3.549 -1.606 1.00 0.00 H -ATOM 227 N ARG A 16 8.117 -1.096 -1.381 1.00 0.00 N -ATOM 228 CA ARG A 16 7.691 0.212 -1.899 1.00 0.00 C -ATOM 229 C ARG A 16 7.091 1.060 -0.764 1.00 0.00 C -ATOM 230 O ARG A 16 6.300 0.516 0.009 1.00 0.00 O -ATOM 231 CB ARG A 16 6.671 -0.025 -3.030 1.00 0.00 C -ATOM 232 CG ARG A 16 6.236 1.275 -3.721 1.00 0.00 C -ATOM 233 CD ARG A 16 5.149 1.034 -4.770 1.00 0.00 C -ATOM 234 NE ARG A 16 4.730 2.310 -5.382 1.00 0.00 N -ATOM 235 CZ ARG A 16 3.684 2.515 -6.172 1.00 0.00 C -ATOM 236 NH1 ARG A 16 2.874 1.539 -6.511 1.00 0.00 N -ATOM 237 NH2 ARG A 16 3.433 3.717 -6.637 1.00 0.00 N -ATOM 238 H ARG A 16 7.418 -1.684 -0.950 1.00 0.00 H -ATOM 239 HA ARG A 16 8.564 0.718 -2.312 1.00 0.00 H -ATOM 240 HB2 ARG A 16 7.115 -0.671 -3.763 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.791 -0.523 -2.617 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.857 1.951 -2.979 1.00 0.00 H -ATOM 243 HG3 ARG A 16 7.100 1.731 -4.204 1.00 0.00 H -ATOM 244 HD2 ARG A 16 5.533 0.385 -5.534 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.293 0.562 -4.283 1.00 0.00 H -ATOM 246 HE ARG A 16 5.293 3.114 -5.162 1.00 0.00 H -ATOM 247 HH11 ARG A 16 3.073 0.618 -6.161 1.00 0.00 H -ATOM 248 HH12 ARG A 16 2.086 1.696 -7.110 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.029 4.490 -6.397 1.00 0.00 H -ATOM 250 HH22 ARG A 16 2.642 3.867 -7.235 1.00 0.00 H -ATOM 251 N PRO A 17 7.386 2.375 -0.671 1.00 0.00 N -ATOM 252 CA PRO A 17 6.796 3.253 0.346 1.00 0.00 C -ATOM 253 C PRO A 17 5.267 3.389 0.203 1.00 0.00 C -ATOM 254 O PRO A 17 4.733 3.160 -0.887 1.00 0.00 O -ATOM 255 CB PRO A 17 7.495 4.609 0.170 1.00 0.00 C -ATOM 256 CG PRO A 17 7.932 4.600 -1.293 1.00 0.00 C -ATOM 257 CD PRO A 17 8.291 3.135 -1.522 1.00 0.00 C -ATOM 258 HA PRO A 17 7.029 2.854 1.334 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.817 5.418 0.362 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.375 4.651 0.813 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.132 4.909 -1.938 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.783 5.259 -1.469 1.00 0.00 H -ATOM 263 HD2 PRO A 17 8.148 2.870 -2.552 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.319 2.954 -1.207 1.00 0.00 H -ATOM 265 N PRO A 18 4.555 3.783 1.280 1.00 0.00 N -ATOM 266 CA PRO A 18 3.107 3.955 1.251 1.00 0.00 C -ATOM 267 C PRO A 18 2.677 5.165 0.399 1.00 0.00 C -ATOM 268 O PRO A 18 3.440 6.118 0.240 1.00 0.00 O -ATOM 269 CB PRO A 18 2.682 4.114 2.714 1.00 0.00 C -ATOM 270 CG PRO A 18 3.920 4.702 3.385 1.00 0.00 C -ATOM 271 CD PRO A 18 5.071 4.058 2.612 1.00 0.00 C -ATOM 272 HA PRO A 18 2.660 3.050 0.846 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.846 4.781 2.800 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.472 3.133 3.140 1.00 0.00 H -ATOM 275 HG2 PRO A 18 3.940 5.770 3.288 1.00 0.00 H -ATOM 276 HG3 PRO A 18 3.960 4.460 4.446 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.906 4.730 2.557 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.353 3.118 3.092 1.00 0.00 H -ATOM 279 N PRO A 19 1.446 5.145 -0.145 1.00 0.00 N -ATOM 280 CA PRO A 19 0.886 6.247 -0.912 1.00 0.00 C -ATOM 281 C PRO A 19 0.347 7.353 0.009 1.00 0.00 C -ATOM 282 O PRO A 19 -0.657 7.156 0.691 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.216 5.613 -1.764 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.713 4.453 -0.902 1.00 0.00 C -ATOM 285 CD PRO A 19 0.539 4.007 -0.154 1.00 0.00 C -ATOM 286 HA PRO A 19 1.645 6.666 -1.575 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.005 6.315 -1.954 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.222 5.216 -2.681 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.473 4.780 -0.218 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.118 3.650 -1.516 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.289 3.725 0.851 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.012 3.193 -0.700 1.00 0.00 H -ATOM 293 N SER A 20 0.994 8.526 -0.049 1.00 0.00 N -ATOM 294 CA SER A 20 0.653 9.774 0.659 1.00 0.00 C -ATOM 295 C SER A 20 0.918 9.764 2.177 1.00 0.00 C -ATOM 296 O SER A 20 0.442 10.754 2.789 1.00 0.00 O -ATOM 297 CB SER A 20 -0.786 10.208 0.336 1.00 0.00 C -ATOM 298 OG SER A 20 -0.959 11.455 0.965 1.00 0.00 O -ATOM 299 OXT SER A 20 1.603 8.846 2.675 1.00 0.00 O -ATOM 300 H SER A 20 1.867 8.518 -0.553 1.00 0.00 H -ATOM 301 HA SER A 20 1.307 10.553 0.271 1.00 0.00 H -ATOM 302 HB2 SER A 20 -0.919 10.302 -0.725 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.495 9.494 0.758 1.00 0.00 H -ATOM 304 HG SER A 20 -0.420 11.315 1.824 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 17 -ATOM 1 N ASN A 1 -8.598 5.262 -0.292 1.00 0.00 N -ATOM 2 CA ASN A 1 -8.658 3.999 -1.068 1.00 0.00 C -ATOM 3 C ASN A 1 -7.282 3.479 -1.479 1.00 0.00 C -ATOM 4 O ASN A 1 -7.038 2.293 -1.290 1.00 0.00 O -ATOM 5 CB ASN A 1 -9.633 4.090 -2.256 1.00 0.00 C -ATOM 6 CG ASN A 1 -11.034 3.705 -1.797 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -11.203 2.706 -1.121 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -12.056 4.485 -2.091 1.00 0.00 N -ATOM 9 H1 ASN A 1 -7.871 5.210 0.409 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.409 6.043 -0.906 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.483 5.425 0.171 1.00 0.00 H -ATOM 12 HA ASN A 1 -9.048 3.224 -0.405 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -9.644 5.095 -2.633 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -9.339 3.378 -3.028 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -11.996 5.318 -2.653 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -12.946 4.132 -1.770 1.00 0.00 H -ATOM 17 N LEU A 2 -6.367 4.322 -1.982 1.00 0.00 N -ATOM 18 CA LEU A 2 -5.025 3.900 -2.419 1.00 0.00 C -ATOM 19 C LEU A 2 -4.243 3.096 -1.364 1.00 0.00 C -ATOM 20 O LEU A 2 -3.570 2.120 -1.698 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.224 5.145 -2.840 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.672 5.767 -4.178 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.897 7.063 -4.418 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -4.426 4.814 -5.354 1.00 0.00 C -ATOM 25 H LEU A 2 -6.595 5.288 -2.162 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.133 3.236 -3.278 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.329 5.887 -2.073 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.170 4.876 -2.925 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.734 6.008 -4.131 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -4.056 7.754 -3.588 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.832 6.853 -4.509 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.248 7.538 -5.334 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -3.421 4.393 -5.292 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -5.156 4.005 -5.345 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -4.526 5.349 -6.297 1.00 0.00 H -ATOM 36 N TYR A 3 -4.383 3.462 -0.084 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.757 2.758 1.034 1.00 0.00 C -ATOM 38 C TYR A 3 -4.175 1.279 1.120 1.00 0.00 C -ATOM 39 O TYR A 3 -3.350 0.425 1.441 1.00 0.00 O -ATOM 40 CB TYR A 3 -4.083 3.494 2.342 1.00 0.00 C -ATOM 41 CG TYR A 3 -3.021 3.296 3.403 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -1.860 4.092 3.363 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -3.175 2.317 4.405 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -0.846 3.906 4.317 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -2.162 2.132 5.366 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.992 2.923 5.318 1.00 0.00 C -ATOM 47 OH TYR A 3 0.011 2.729 6.217 1.00 0.00 O -ATOM 48 H TYR A 3 -4.910 4.298 0.109 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.678 2.791 0.884 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.169 4.543 2.134 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -5.054 3.166 2.719 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -1.741 4.850 2.600 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -4.067 1.705 4.436 1.00 0.00 H -ATOM 54 HE1 TYR A 3 0.050 4.506 4.296 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -2.281 1.396 6.145 1.00 0.00 H -ATOM 56 HH TYR A 3 -0.092 1.913 6.709 1.00 0.00 H -ATOM 57 N ILE A 4 -5.434 0.963 0.782 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.959 -0.407 0.754 1.00 0.00 C -ATOM 59 C ILE A 4 -5.234 -1.224 -0.323 1.00 0.00 C -ATOM 60 O ILE A 4 -4.791 -2.341 -0.056 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.489 -0.415 0.505 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.287 0.574 1.386 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.084 -1.834 0.645 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -7.998 0.474 2.893 1.00 0.00 C -ATOM 65 H ILE A 4 -6.027 1.699 0.419 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.758 -0.874 1.720 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.652 -0.114 -0.531 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.051 1.571 1.066 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -9.351 0.403 1.219 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.310 -2.600 0.624 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -8.633 -1.940 1.582 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.777 -2.015 -0.176 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.679 -0.532 3.164 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -7.214 1.179 3.165 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.902 0.718 3.451 1.00 0.00 H -ATOM 76 N GLN A 5 -5.082 -0.658 -1.529 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.322 -1.281 -2.612 1.00 0.00 C -ATOM 78 C GLN A 5 -2.862 -1.527 -2.213 1.00 0.00 C -ATOM 79 O GLN A 5 -2.351 -2.625 -2.425 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.396 -0.435 -3.898 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.293 -1.073 -4.971 1.00 0.00 C -ATOM 82 CD GLN A 5 -4.805 -0.728 -6.375 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.736 0.424 -6.768 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -4.436 -1.716 -7.169 1.00 0.00 N -ATOM 85 H GLN A 5 -5.436 0.282 -1.657 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.757 -2.263 -2.799 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.789 0.532 -3.651 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.390 -0.336 -4.310 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.281 -2.139 -4.848 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.316 -0.718 -4.849 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.461 -2.680 -6.883 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -4.101 -1.424 -8.072 1.00 0.00 H -ATOM 93 N TRP A 6 -2.207 -0.530 -1.604 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.837 -0.672 -1.104 1.00 0.00 C -ATOM 95 C TRP A 6 -0.705 -1.777 -0.043 1.00 0.00 C -ATOM 96 O TRP A 6 0.217 -2.593 -0.114 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.347 0.675 -0.564 1.00 0.00 C -ATOM 98 CG TRP A 6 1.007 0.616 0.072 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.190 0.555 -0.580 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.332 0.576 1.493 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.222 0.465 0.337 1.00 0.00 N -ATOM 102 CE2 TRP A 6 2.749 0.489 1.629 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.572 0.607 2.680 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.387 0.464 2.876 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.201 0.554 3.937 1.00 0.00 C -ATOM 106 CH2 TRP A 6 2.602 0.496 4.040 1.00 0.00 C -ATOM 107 H TRP A 6 -2.687 0.361 -1.494 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.192 -0.960 -1.936 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.308 1.372 -1.379 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -1.057 1.038 0.178 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.302 0.568 -1.656 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.213 0.428 0.099 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.505 0.677 2.615 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.464 0.415 2.929 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 0.600 0.564 4.832 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.067 0.481 5.014 1.00 0.00 H -ATOM 117 N LEU A 7 -1.635 -1.843 0.921 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.657 -2.918 1.915 1.00 0.00 C -ATOM 119 C LEU A 7 -1.850 -4.300 1.279 1.00 0.00 C -ATOM 120 O LEU A 7 -1.189 -5.245 1.705 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.734 -2.654 2.978 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.362 -1.573 4.010 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.534 -1.401 4.981 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.117 -1.940 4.827 1.00 0.00 C -ATOM 125 H LEU A 7 -2.351 -1.119 0.959 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.679 -2.957 2.392 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.631 -2.344 2.477 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.923 -3.583 3.518 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.187 -0.627 3.506 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.451 -1.204 4.427 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.657 -2.303 5.579 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.341 -0.562 5.647 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.237 -2.927 5.274 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.232 -1.942 4.191 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.962 -1.204 5.615 1.00 0.00 H -ATOM 136 N LYS A 8 -2.693 -4.415 0.243 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.927 -5.668 -0.497 1.00 0.00 C -ATOM 138 C LYS A 8 -1.653 -6.277 -1.088 1.00 0.00 C -ATOM 139 O LYS A 8 -1.528 -7.496 -1.107 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.973 -5.432 -1.602 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.211 -6.326 -1.434 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.475 -5.580 -1.872 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.711 -6.420 -1.540 1.00 0.00 C -ATOM 144 NZ LYS A 8 -8.949 -5.755 -2.006 1.00 0.00 N -ATOM 145 H LYS A 8 -3.216 -3.585 -0.025 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.295 -6.407 0.215 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.282 -4.405 -1.571 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.535 -5.617 -2.585 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.095 -7.207 -2.035 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.330 -6.615 -0.390 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.532 -4.641 -1.355 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.425 -5.375 -2.942 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.625 -7.376 -2.020 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.744 -6.556 -0.456 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -8.883 -4.758 -1.855 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -9.086 -5.926 -2.995 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -9.750 -6.109 -1.500 1.00 0.00 H -ATOM 158 N ASP A 9 -0.716 -5.437 -1.534 1.00 0.00 N -ATOM 159 CA ASP A 9 0.596 -5.859 -2.042 1.00 0.00 C -ATOM 160 C ASP A 9 1.481 -6.488 -0.941 1.00 0.00 C -ATOM 161 O ASP A 9 2.363 -7.284 -1.255 1.00 0.00 O -ATOM 162 CB ASP A 9 1.292 -4.644 -2.692 1.00 0.00 C -ATOM 163 CG ASP A 9 2.005 -4.972 -4.012 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.283 -5.311 -4.975 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.245 -4.797 -4.077 1.00 0.00 O -ATOM 166 H ASP A 9 -0.933 -4.447 -1.525 1.00 0.00 H -ATOM 167 HA ASP A 9 0.434 -6.621 -2.808 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.551 -3.893 -2.885 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.002 -4.208 -1.987 1.00 0.00 H -ATOM 170 N GLY A 10 1.219 -6.165 0.339 1.00 0.00 N -ATOM 171 CA GLY A 10 2.000 -6.593 1.510 1.00 0.00 C -ATOM 172 C GLY A 10 2.552 -5.441 2.368 1.00 0.00 C -ATOM 173 O GLY A 10 3.421 -5.669 3.222 1.00 0.00 O -ATOM 174 H GLY A 10 0.387 -5.611 0.509 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.359 -7.205 2.144 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.843 -7.202 1.190 1.00 0.00 H -ATOM 177 N GLY A 11 2.100 -4.200 2.127 1.00 0.00 N -ATOM 178 CA GLY A 11 2.565 -3.016 2.844 1.00 0.00 C -ATOM 179 C GLY A 11 4.085 -2.823 2.696 1.00 0.00 C -ATOM 180 O GLY A 11 4.601 -2.976 1.581 1.00 0.00 O -ATOM 181 H GLY A 11 1.469 -4.062 1.347 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.060 -2.134 2.448 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.283 -3.131 3.889 1.00 0.00 H -ATOM 184 N PRO A 12 4.824 -2.520 3.787 1.00 0.00 N -ATOM 185 CA PRO A 12 6.277 -2.307 3.754 1.00 0.00 C -ATOM 186 C PRO A 12 7.081 -3.495 3.201 1.00 0.00 C -ATOM 187 O PRO A 12 8.203 -3.312 2.737 1.00 0.00 O -ATOM 188 CB PRO A 12 6.699 -2.018 5.204 1.00 0.00 C -ATOM 189 CG PRO A 12 5.406 -1.656 5.929 1.00 0.00 C -ATOM 190 CD PRO A 12 4.342 -2.429 5.160 1.00 0.00 C -ATOM 191 HA PRO A 12 6.486 -1.429 3.142 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.148 -2.886 5.646 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.420 -1.199 5.254 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.441 -1.968 6.955 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.218 -0.586 5.838 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.219 -3.410 5.578 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.387 -1.911 5.231 1.00 0.00 H -ATOM 198 N SER A 13 6.509 -4.707 3.214 1.00 0.00 N -ATOM 199 CA SER A 13 7.159 -5.950 2.773 1.00 0.00 C -ATOM 200 C SER A 13 7.030 -6.225 1.263 1.00 0.00 C -ATOM 201 O SER A 13 7.213 -7.355 0.818 1.00 0.00 O -ATOM 202 CB SER A 13 6.698 -7.124 3.649 1.00 0.00 C -ATOM 203 OG SER A 13 5.331 -7.475 3.506 1.00 0.00 O -ATOM 204 H SER A 13 5.551 -4.762 3.529 1.00 0.00 H -ATOM 205 HA SER A 13 8.229 -5.841 2.949 1.00 0.00 H -ATOM 206 HB2 SER A 13 7.291 -7.982 3.396 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.899 -6.873 4.691 1.00 0.00 H -ATOM 208 HG SER A 13 4.725 -6.704 3.495 1.00 0.00 H -ATOM 209 N SER A 14 6.763 -5.177 0.472 1.00 0.00 N -ATOM 210 CA SER A 14 6.427 -5.256 -0.961 1.00 0.00 C -ATOM 211 C SER A 14 7.393 -4.454 -1.849 1.00 0.00 C -ATOM 212 O SER A 14 7.103 -4.203 -3.018 1.00 0.00 O -ATOM 213 CB SER A 14 4.966 -4.835 -1.209 1.00 0.00 C -ATOM 214 OG SER A 14 4.155 -4.935 -0.060 1.00 0.00 O -ATOM 215 H SER A 14 6.628 -4.294 0.943 1.00 0.00 H -ATOM 216 HA SER A 14 6.505 -6.297 -1.276 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.957 -3.816 -1.545 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.553 -5.447 -2.010 1.00 0.00 H -ATOM 219 HG SER A 14 4.335 -4.165 0.528 1.00 0.00 H -ATOM 220 N GLY A 15 8.524 -3.999 -1.288 1.00 0.00 N -ATOM 221 CA GLY A 15 9.526 -3.183 -1.983 1.00 0.00 C -ATOM 222 C GLY A 15 9.030 -1.786 -2.384 1.00 0.00 C -ATOM 223 O GLY A 15 9.571 -1.198 -3.319 1.00 0.00 O -ATOM 224 H GLY A 15 8.702 -4.280 -0.334 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.392 -3.054 -1.335 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.855 -3.702 -2.884 1.00 0.00 H -ATOM 227 N ARG A 16 7.999 -1.262 -1.701 1.00 0.00 N -ATOM 228 CA ARG A 16 7.349 0.019 -2.007 1.00 0.00 C -ATOM 229 C ARG A 16 6.893 0.760 -0.731 1.00 0.00 C -ATOM 230 O ARG A 16 6.219 0.163 0.112 1.00 0.00 O -ATOM 231 CB ARG A 16 6.178 -0.191 -2.987 1.00 0.00 C -ATOM 232 CG ARG A 16 5.135 -1.203 -2.490 1.00 0.00 C -ATOM 233 CD ARG A 16 3.984 -1.428 -3.468 1.00 0.00 C -ATOM 234 NE ARG A 16 4.422 -2.198 -4.644 1.00 0.00 N -ATOM 235 CZ ARG A 16 3.985 -2.079 -5.889 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.095 -1.174 -6.226 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.443 -2.867 -6.829 1.00 0.00 N -ATOM 238 H ARG A 16 7.637 -1.808 -0.931 1.00 0.00 H -ATOM 239 HA ARG A 16 8.087 0.627 -2.526 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.690 0.752 -3.140 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.587 -0.548 -3.935 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.627 -2.142 -2.323 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.707 -0.869 -1.550 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.202 -1.967 -2.969 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.580 -0.460 -3.754 1.00 0.00 H -ATOM 246 HE ARG A 16 4.950 -3.039 -4.447 1.00 0.00 H -ATOM 247 HH11 ARG A 16 2.699 -0.623 -5.487 1.00 0.00 H -ATOM 248 HH12 ARG A 16 2.736 -1.119 -7.160 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.052 -3.623 -6.563 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.097 -2.799 -7.766 1.00 0.00 H -ATOM 251 N PRO A 17 7.222 2.058 -0.583 1.00 0.00 N -ATOM 252 CA PRO A 17 6.818 2.862 0.570 1.00 0.00 C -ATOM 253 C PRO A 17 5.308 3.175 0.566 1.00 0.00 C -ATOM 254 O PRO A 17 4.649 2.986 -0.461 1.00 0.00 O -ATOM 255 CB PRO A 17 7.668 4.136 0.467 1.00 0.00 C -ATOM 256 CG PRO A 17 7.903 4.302 -1.030 1.00 0.00 C -ATOM 257 CD PRO A 17 7.972 2.866 -1.536 1.00 0.00 C -ATOM 258 HA PRO A 17 7.067 2.330 1.490 1.00 0.00 H -ATOM 259 HB2 PRO A 17 7.140 4.980 0.866 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.622 3.973 0.971 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.092 4.833 -1.490 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.828 4.841 -1.235 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.531 2.795 -2.511 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.009 2.530 -1.559 1.00 0.00 H -ATOM 265 N PRO A 18 4.746 3.667 1.690 1.00 0.00 N -ATOM 266 CA PRO A 18 3.331 4.024 1.786 1.00 0.00 C -ATOM 267 C PRO A 18 2.969 5.219 0.879 1.00 0.00 C -ATOM 268 O PRO A 18 3.752 6.167 0.773 1.00 0.00 O -ATOM 269 CB PRO A 18 3.081 4.342 3.265 1.00 0.00 C -ATOM 270 CG PRO A 18 4.457 4.738 3.793 1.00 0.00 C -ATOM 271 CD PRO A 18 5.409 3.874 2.971 1.00 0.00 C -ATOM 272 HA PRO A 18 2.737 3.158 1.511 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.385 5.152 3.369 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.740 3.441 3.778 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.646 5.781 3.629 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.557 4.542 4.860 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.346 4.379 2.831 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.554 2.911 3.463 1.00 0.00 H -ATOM 279 N PRO A 19 1.774 5.216 0.253 1.00 0.00 N -ATOM 280 CA PRO A 19 1.314 6.299 -0.608 1.00 0.00 C -ATOM 281 C PRO A 19 0.874 7.500 0.242 1.00 0.00 C -ATOM 282 O PRO A 19 -0.165 7.445 0.901 1.00 0.00 O -ATOM 283 CB PRO A 19 0.174 5.693 -1.433 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.436 4.648 -0.498 1.00 0.00 C -ATOM 285 CD PRO A 19 0.761 4.170 0.330 1.00 0.00 C -ATOM 286 HA PRO A 19 2.114 6.607 -1.283 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.549 6.442 -1.694 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.591 5.191 -2.307 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.187 5.087 0.130 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.891 3.829 -1.053 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.466 4.016 1.350 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.161 3.257 -0.105 1.00 0.00 H -ATOM 293 N SER A 20 1.692 8.561 0.244 1.00 0.00 N -ATOM 294 CA SER A 20 1.395 9.850 0.892 1.00 0.00 C -ATOM 295 C SER A 20 0.641 10.781 -0.057 1.00 0.00 C -ATOM 296 O SER A 20 1.191 11.035 -1.153 1.00 0.00 O -ATOM 297 CB SER A 20 2.675 10.542 1.362 1.00 0.00 C -ATOM 298 OG SER A 20 3.385 9.705 2.254 1.00 0.00 O -ATOM 299 OXT SER A 20 -0.453 11.237 0.341 1.00 0.00 O -ATOM 300 H SER A 20 2.495 8.530 -0.365 1.00 0.00 H -ATOM 301 HA SER A 20 0.748 9.687 1.754 1.00 0.00 H -ATOM 302 HB2 SER A 20 3.293 10.759 0.512 1.00 0.00 H -ATOM 303 HB3 SER A 20 2.412 11.474 1.867 1.00 0.00 H -ATOM 304 HG SER A 20 3.522 8.859 1.817 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 18 -ATOM 1 N ASN A 1 -4.790 8.442 0.249 1.00 0.00 N -ATOM 2 CA ASN A 1 -5.686 7.485 -0.453 1.00 0.00 C -ATOM 3 C ASN A 1 -4.849 6.300 -0.965 1.00 0.00 C -ATOM 4 O ASN A 1 -3.693 6.208 -0.570 1.00 0.00 O -ATOM 5 CB ASN A 1 -6.519 8.196 -1.544 1.00 0.00 C -ATOM 6 CG ASN A 1 -7.833 7.461 -1.812 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -7.853 6.422 -2.450 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -8.951 7.930 -1.294 1.00 0.00 N -ATOM 9 H1 ASN A 1 -4.244 7.939 0.938 1.00 0.00 H -ATOM 10 H2 ASN A 1 -4.142 8.858 -0.406 1.00 0.00 H -ATOM 11 H3 ASN A 1 -5.325 9.168 0.704 1.00 0.00 H -ATOM 12 HA ASN A 1 -6.383 7.080 0.282 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -6.738 9.195 -1.220 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -5.944 8.259 -2.469 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -9.019 8.786 -0.768 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -9.770 7.389 -1.524 1.00 0.00 H -ATOM 17 N LEU A 2 -5.405 5.376 -1.765 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.751 4.202 -2.378 1.00 0.00 C -ATOM 19 C LEU A 2 -4.144 3.169 -1.390 1.00 0.00 C -ATOM 20 O LEU A 2 -3.662 2.112 -1.794 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.724 4.701 -3.418 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.530 3.738 -4.610 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.310 4.230 -5.834 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -2.051 3.617 -4.978 1.00 0.00 C -ATOM 25 H LEU A 2 -6.367 5.541 -2.065 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.530 3.669 -2.924 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.059 5.647 -3.798 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.776 4.864 -2.910 1.00 0.00 H -ATOM 29 HG LEU A 2 -3.896 2.747 -4.351 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -5.363 4.348 -5.581 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.911 5.184 -6.179 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.230 3.497 -6.639 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -1.642 4.598 -5.223 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -1.504 3.192 -4.138 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -1.942 2.955 -5.838 1.00 0.00 H -ATOM 36 N TYR A 3 -4.199 3.443 -0.085 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.520 2.704 0.978 1.00 0.00 C -ATOM 38 C TYR A 3 -3.955 1.233 1.067 1.00 0.00 C -ATOM 39 O TYR A 3 -3.129 0.359 1.321 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.753 3.449 2.303 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.583 3.372 3.262 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.356 2.199 4.004 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.718 4.476 3.408 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.265 2.121 4.888 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.634 4.408 4.303 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.399 3.225 5.036 1.00 0.00 C -ATOM 47 OH TYR A 3 0.654 3.151 5.892 1.00 0.00 O -ATOM 48 H TYR A 3 -4.531 4.367 0.144 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.450 2.720 0.763 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.942 4.482 2.082 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.647 3.061 2.792 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.021 1.359 3.886 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.875 5.381 2.835 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.080 1.223 5.456 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.025 5.255 4.425 1.00 0.00 H -ATOM 56 HH TYR A 3 0.402 3.418 6.779 1.00 0.00 H -ATOM 57 N ILE A 4 -5.239 0.944 0.809 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.793 -0.418 0.803 1.00 0.00 C -ATOM 59 C ILE A 4 -5.137 -1.278 -0.294 1.00 0.00 C -ATOM 60 O ILE A 4 -4.777 -2.429 -0.051 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.337 -0.377 0.654 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.002 0.564 1.695 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.933 -1.789 0.786 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.600 1.821 1.047 1.00 0.00 C -ATOM 65 H ILE A 4 -5.855 1.722 0.628 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.561 -0.884 1.762 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.578 -0.019 -0.348 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.786 0.027 2.194 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.278 0.868 2.451 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.587 -2.427 -0.028 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.641 -2.235 1.738 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.023 -1.740 0.735 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.889 2.268 0.350 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.514 1.556 0.511 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.845 2.548 1.821 1.00 0.00 H -ATOM 76 N GLN A 5 -4.930 -0.702 -1.487 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.240 -1.358 -2.602 1.00 0.00 C -ATOM 78 C GLN A 5 -2.757 -1.594 -2.286 1.00 0.00 C -ATOM 79 O GLN A 5 -2.238 -2.664 -2.596 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.402 -0.514 -3.877 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.825 -0.583 -4.457 1.00 0.00 C -ATOM 82 CD GLN A 5 -6.299 0.780 -4.949 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.987 1.219 -6.043 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -7.068 1.504 -4.156 1.00 0.00 N -ATOM 85 H GLN A 5 -5.142 0.280 -1.577 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.690 -2.336 -2.774 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.176 0.508 -3.643 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.702 -0.864 -4.637 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.832 -1.272 -5.280 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.527 -0.953 -3.709 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -7.405 1.166 -3.274 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -7.384 2.362 -4.578 1.00 0.00 H -ATOM 93 N TRP A 6 -2.087 -0.635 -1.631 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.718 -0.822 -1.137 1.00 0.00 C -ATOM 95 C TRP A 6 -0.625 -1.935 -0.078 1.00 0.00 C -ATOM 96 O TRP A 6 0.234 -2.811 -0.181 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.169 0.510 -0.615 1.00 0.00 C -ATOM 98 CG TRP A 6 1.231 0.448 -0.086 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.357 0.390 -0.836 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.678 0.412 1.305 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.461 0.324 -0.009 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.102 0.345 1.317 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.032 0.434 2.562 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.852 0.322 2.500 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.773 0.390 3.759 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.179 0.343 3.732 1.00 0.00 C -ATOM 107 H TRP A 6 -2.569 0.238 -1.442 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.091 -1.137 -1.973 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.191 1.219 -1.420 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.817 0.881 0.178 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.382 0.389 -1.919 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.439 0.289 -0.304 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.045 0.494 2.594 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.931 0.270 2.447 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.262 0.416 4.711 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.741 0.324 4.655 1.00 0.00 H -ATOM 117 N LEU A 7 -1.535 -1.954 0.908 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.599 -3.028 1.905 1.00 0.00 C -ATOM 119 C LEU A 7 -1.859 -4.404 1.277 1.00 0.00 C -ATOM 120 O LEU A 7 -1.246 -5.374 1.719 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.653 -2.718 2.982 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.238 -1.612 3.971 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.451 -1.213 4.816 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.124 -2.058 4.928 1.00 0.00 C -ATOM 125 H LEU A 7 -2.199 -1.184 0.968 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.619 -3.101 2.378 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.556 -2.409 2.491 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.850 -3.627 3.553 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.894 -0.741 3.419 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.238 -0.826 4.169 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.830 -2.080 5.360 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.169 -0.442 5.533 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.484 -2.855 5.579 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.258 -2.415 4.373 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.808 -1.215 5.538 1.00 0.00 H -ATOM 136 N LYS A 8 -2.699 -4.500 0.231 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.961 -5.760 -0.490 1.00 0.00 C -ATOM 138 C LYS A 8 -1.682 -6.440 -0.992 1.00 0.00 C -ATOM 139 O LYS A 8 -1.618 -7.666 -1.015 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.959 -5.521 -1.641 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.419 -6.827 -2.322 1.00 0.00 C -ATOM 142 CD LYS A 8 -3.630 -7.226 -3.585 1.00 0.00 C -ATOM 143 CE LYS A 8 -4.103 -6.440 -4.814 1.00 0.00 C -ATOM 144 NZ LYS A 8 -3.568 -7.025 -6.066 1.00 0.00 N -ATOM 145 H LYS A 8 -3.215 -3.664 -0.036 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.413 -6.457 0.217 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.821 -5.019 -1.247 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.524 -4.853 -2.384 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.327 -7.623 -1.608 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.470 -6.727 -2.593 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -2.588 -7.026 -3.423 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -3.798 -8.290 -3.759 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -5.175 -6.459 -4.850 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -3.782 -5.399 -4.713 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -2.555 -6.986 -6.067 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -3.851 -7.992 -6.145 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -3.914 -6.519 -6.870 1.00 0.00 H -ATOM 158 N ASP A 9 -0.674 -5.659 -1.382 1.00 0.00 N -ATOM 159 CA ASP A 9 0.615 -6.165 -1.853 1.00 0.00 C -ATOM 160 C ASP A 9 1.571 -6.567 -0.705 1.00 0.00 C -ATOM 161 O ASP A 9 2.686 -7.014 -0.969 1.00 0.00 O -ATOM 162 CB ASP A 9 1.231 -5.098 -2.777 1.00 0.00 C -ATOM 163 CG ASP A 9 2.189 -5.711 -3.799 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.663 -6.222 -4.813 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.416 -5.646 -3.568 1.00 0.00 O -ATOM 166 H ASP A 9 -0.796 -4.654 -1.332 1.00 0.00 H -ATOM 167 HA ASP A 9 0.438 -7.059 -2.454 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.441 -4.595 -3.301 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.736 -4.335 -2.183 1.00 0.00 H -ATOM 170 N GLY A 10 1.188 -6.375 0.570 1.00 0.00 N -ATOM 171 CA GLY A 10 2.022 -6.675 1.745 1.00 0.00 C -ATOM 172 C GLY A 10 2.601 -5.455 2.475 1.00 0.00 C -ATOM 173 O GLY A 10 3.441 -5.624 3.363 1.00 0.00 O -ATOM 174 H GLY A 10 0.253 -6.015 0.741 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.412 -7.227 2.460 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.853 -7.319 1.458 1.00 0.00 H -ATOM 177 N GLY A 11 2.171 -4.233 2.128 1.00 0.00 N -ATOM 178 CA GLY A 11 2.595 -2.981 2.757 1.00 0.00 C -ATOM 179 C GLY A 11 4.126 -2.821 2.820 1.00 0.00 C -ATOM 180 O GLY A 11 4.764 -2.728 1.772 1.00 0.00 O -ATOM 181 H GLY A 11 1.579 -4.166 1.309 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.194 -2.157 2.171 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.155 -2.927 3.750 1.00 0.00 H -ATOM 184 N PRO A 12 4.762 -2.798 4.014 1.00 0.00 N -ATOM 185 CA PRO A 12 6.222 -2.711 4.128 1.00 0.00 C -ATOM 186 C PRO A 12 6.985 -3.820 3.384 1.00 0.00 C -ATOM 187 O PRO A 12 8.141 -3.624 3.019 1.00 0.00 O -ATOM 188 CB PRO A 12 6.536 -2.771 5.628 1.00 0.00 C -ATOM 189 CG PRO A 12 5.232 -2.347 6.300 1.00 0.00 C -ATOM 190 CD PRO A 12 4.159 -2.854 5.339 1.00 0.00 C -ATOM 191 HA PRO A 12 6.541 -1.745 3.735 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.809 -3.767 5.920 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.357 -2.104 5.890 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.131 -2.805 7.265 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.189 -1.259 6.357 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.884 -3.862 5.583 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.274 -2.223 5.414 1.00 0.00 H -ATOM 198 N SER A 13 6.349 -4.977 3.147 1.00 0.00 N -ATOM 199 CA SER A 13 6.954 -6.124 2.463 1.00 0.00 C -ATOM 200 C SER A 13 6.833 -6.062 0.928 1.00 0.00 C -ATOM 201 O SER A 13 7.261 -6.986 0.242 1.00 0.00 O -ATOM 202 CB SER A 13 6.368 -7.420 3.048 1.00 0.00 C -ATOM 203 OG SER A 13 7.404 -8.335 3.350 1.00 0.00 O -ATOM 204 H SER A 13 5.372 -5.058 3.425 1.00 0.00 H -ATOM 205 HA SER A 13 8.023 -6.116 2.682 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.826 -7.190 3.945 1.00 0.00 H -ATOM 207 HB3 SER A 13 5.665 -7.873 2.347 1.00 0.00 H -ATOM 208 HG SER A 13 7.993 -7.938 3.997 1.00 0.00 H -ATOM 209 N SER A 14 6.285 -4.971 0.375 1.00 0.00 N -ATOM 210 CA SER A 14 5.996 -4.784 -1.057 1.00 0.00 C -ATOM 211 C SER A 14 7.108 -4.082 -1.850 1.00 0.00 C -ATOM 212 O SER A 14 6.920 -3.757 -3.019 1.00 0.00 O -ATOM 213 CB SER A 14 4.711 -3.968 -1.193 1.00 0.00 C -ATOM 214 OG SER A 14 3.682 -4.612 -0.483 1.00 0.00 O -ATOM 215 H SER A 14 5.894 -4.268 0.998 1.00 0.00 H -ATOM 216 HA SER A 14 5.825 -5.757 -1.521 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.865 -2.985 -0.791 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.431 -3.871 -2.241 1.00 0.00 H -ATOM 219 HG SER A 14 3.520 -5.494 -0.884 1.00 0.00 H -ATOM 220 N GLY A 15 8.256 -3.783 -1.226 1.00 0.00 N -ATOM 221 CA GLY A 15 9.384 -3.115 -1.892 1.00 0.00 C -ATOM 222 C GLY A 15 9.136 -1.644 -2.261 1.00 0.00 C -ATOM 223 O GLY A 15 9.906 -1.080 -3.037 1.00 0.00 O -ATOM 224 H GLY A 15 8.354 -4.097 -0.270 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.260 -3.161 -1.246 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.616 -3.654 -2.812 1.00 0.00 H -ATOM 227 N ARG A 16 8.071 -1.022 -1.733 1.00 0.00 N -ATOM 228 CA ARG A 16 7.620 0.333 -2.073 1.00 0.00 C -ATOM 229 C ARG A 16 7.039 1.042 -0.836 1.00 0.00 C -ATOM 230 O ARG A 16 6.265 0.407 -0.118 1.00 0.00 O -ATOM 231 CB ARG A 16 6.558 0.205 -3.182 1.00 0.00 C -ATOM 232 CG ARG A 16 6.146 1.562 -3.766 1.00 0.00 C -ATOM 233 CD ARG A 16 5.085 1.404 -4.861 1.00 0.00 C -ATOM 234 NE ARG A 16 5.279 2.408 -5.922 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.427 2.749 -6.879 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.214 2.253 -6.941 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.794 3.604 -7.805 1.00 0.00 N -ATOM 238 H ARG A 16 7.498 -1.558 -1.093 1.00 0.00 H -ATOM 239 HA ARG A 16 8.474 0.889 -2.457 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.958 -0.402 -3.972 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.678 -0.308 -2.787 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.747 2.173 -2.980 1.00 0.00 H -ATOM 243 HG3 ARG A 16 7.035 2.033 -4.183 1.00 0.00 H -ATOM 244 HD2 ARG A 16 5.162 0.422 -5.287 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.099 1.511 -4.406 1.00 0.00 H -ATOM 246 HE ARG A 16 6.183 2.845 -5.952 1.00 0.00 H -ATOM 247 HH11 ARG A 16 2.943 1.589 -6.236 1.00 0.00 H -ATOM 248 HH12 ARG A 16 2.578 2.515 -7.670 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.722 3.990 -7.801 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.153 3.860 -8.532 1.00 0.00 H -ATOM 251 N PRO A 17 7.339 2.336 -0.597 1.00 0.00 N -ATOM 252 CA PRO A 17 6.761 3.096 0.517 1.00 0.00 C -ATOM 253 C PRO A 17 5.236 3.291 0.376 1.00 0.00 C -ATOM 254 O PRO A 17 4.700 3.157 -0.728 1.00 0.00 O -ATOM 255 CB PRO A 17 7.502 4.441 0.515 1.00 0.00 C -ATOM 256 CG PRO A 17 7.925 4.615 -0.941 1.00 0.00 C -ATOM 257 CD PRO A 17 8.240 3.185 -1.367 1.00 0.00 C -ATOM 258 HA PRO A 17 6.966 2.571 1.450 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.852 5.237 0.823 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.390 4.367 1.144 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.129 5.028 -1.529 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.791 5.270 -1.039 1.00 0.00 H -ATOM 263 HD2 PRO A 17 8.064 3.060 -2.418 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.272 2.943 -1.108 1.00 0.00 H -ATOM 265 N PRO A 18 4.530 3.634 1.472 1.00 0.00 N -ATOM 266 CA PRO A 18 3.086 3.848 1.449 1.00 0.00 C -ATOM 267 C PRO A 18 2.698 5.104 0.650 1.00 0.00 C -ATOM 268 O PRO A 18 3.420 6.101 0.687 1.00 0.00 O -ATOM 269 CB PRO A 18 2.662 3.983 2.913 1.00 0.00 C -ATOM 270 CG PRO A 18 3.925 4.461 3.623 1.00 0.00 C -ATOM 271 CD PRO A 18 5.046 3.799 2.825 1.00 0.00 C -ATOM 272 HA PRO A 18 2.610 2.974 1.015 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.872 4.701 3.016 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.373 3.010 3.303 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.006 5.530 3.586 1.00 0.00 H -ATOM 276 HG3 PRO A 18 3.940 4.157 4.670 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.918 4.424 2.818 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.270 2.821 3.248 1.00 0.00 H -ATOM 279 N PRO A 19 1.537 5.098 -0.033 1.00 0.00 N -ATOM 280 CA PRO A 19 1.010 6.280 -0.696 1.00 0.00 C -ATOM 281 C PRO A 19 0.436 7.257 0.342 1.00 0.00 C -ATOM 282 O PRO A 19 -0.227 6.870 1.309 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.043 5.743 -1.671 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.579 4.494 -0.969 1.00 0.00 C -ATOM 285 CD PRO A 19 0.631 3.970 -0.196 1.00 0.00 C -ATOM 286 HA PRO A 19 1.802 6.778 -1.258 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.825 6.462 -1.825 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.453 5.447 -2.598 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.381 4.744 -0.302 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.944 3.756 -1.684 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.326 3.598 0.763 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.130 3.194 -0.777 1.00 0.00 H -ATOM 293 N SER A 20 0.706 8.552 0.169 1.00 0.00 N -ATOM 294 CA SER A 20 0.162 9.640 0.988 1.00 0.00 C -ATOM 295 C SER A 20 -0.066 10.872 0.126 1.00 0.00 C -ATOM 296 O SER A 20 0.918 11.303 -0.513 1.00 0.00 O -ATOM 297 CB SER A 20 1.092 9.931 2.166 1.00 0.00 C -ATOM 298 OG SER A 20 1.001 8.805 3.014 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.239 11.304 0.086 1.00 0.00 O -ATOM 300 H SER A 20 1.318 8.846 -0.582 1.00 0.00 H -ATOM 301 HA SER A 20 -0.816 9.367 1.381 1.00 0.00 H -ATOM 302 HB2 SER A 20 2.100 10.060 1.823 1.00 0.00 H -ATOM 303 HB3 SER A 20 0.767 10.828 2.696 1.00 0.00 H -ATOM 304 HG SER A 20 0.609 8.093 2.479 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 19 -ATOM 1 N ASN A 1 -4.711 8.428 -0.250 1.00 0.00 N -ATOM 2 CA ASN A 1 -5.482 7.459 -1.069 1.00 0.00 C -ATOM 3 C ASN A 1 -4.637 6.216 -1.384 1.00 0.00 C -ATOM 4 O ASN A 1 -3.508 6.151 -0.914 1.00 0.00 O -ATOM 5 CB ASN A 1 -6.058 8.123 -2.332 1.00 0.00 C -ATOM 6 CG ASN A 1 -7.308 7.368 -2.763 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -8.229 7.219 -1.982 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -7.347 6.788 -3.948 1.00 0.00 N -ATOM 9 H1 ASN A 1 -4.276 7.945 0.525 1.00 0.00 H -ATOM 10 H2 ASN A 1 -3.969 8.859 -0.792 1.00 0.00 H -ATOM 11 H3 ASN A 1 -5.313 9.159 0.105 1.00 0.00 H -ATOM 12 HA ASN A 1 -6.326 7.121 -0.463 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -6.310 9.144 -2.119 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -5.314 8.139 -3.131 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -6.635 6.892 -4.653 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -8.230 6.344 -4.151 1.00 0.00 H -ATOM 17 N LEU A 2 -5.165 5.225 -2.127 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.498 3.973 -2.561 1.00 0.00 C -ATOM 19 C LEU A 2 -3.959 3.039 -1.451 1.00 0.00 C -ATOM 20 O LEU A 2 -3.474 1.944 -1.745 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.435 4.298 -3.639 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.002 4.275 -5.079 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.796 5.613 -5.794 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -3.342 3.164 -5.900 1.00 0.00 C -ATOM 25 H LEU A 2 -6.111 5.349 -2.465 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.264 3.362 -3.041 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.039 5.276 -3.444 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.623 3.573 -3.570 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.074 4.082 -5.054 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -4.302 6.407 -5.250 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.731 5.843 -5.862 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.209 5.556 -6.802 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.271 3.350 -5.990 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -3.499 2.202 -5.413 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -3.782 3.126 -6.897 1.00 0.00 H -ATOM 36 N TYR A 3 -4.101 3.418 -0.179 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.547 2.721 0.982 1.00 0.00 C -ATOM 38 C TYR A 3 -4.035 1.268 1.120 1.00 0.00 C -ATOM 39 O TYR A 3 -3.246 0.381 1.446 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.866 3.547 2.234 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.864 3.337 3.348 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -1.722 4.158 3.414 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -3.059 2.315 4.297 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -0.764 3.952 4.424 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -2.106 2.111 5.311 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.953 2.921 5.370 1.00 0.00 C -ATOM 47 OH TYR A 3 -0.015 2.685 6.326 1.00 0.00 O -ATOM 48 H TYR A 3 -4.435 4.356 -0.036 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.464 2.693 0.862 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.869 4.586 1.967 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.870 3.311 2.589 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -1.570 4.949 2.689 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -3.934 1.680 4.247 1.00 0.00 H -ATOM 54 HE1 TYR A 3 0.103 4.591 4.475 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -2.233 1.337 6.051 1.00 0.00 H -ATOM 56 HH TYR A 3 0.804 3.144 6.139 1.00 0.00 H -ATOM 57 N ILE A 4 -5.316 1.007 0.820 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.898 -0.342 0.812 1.00 0.00 C -ATOM 59 C ILE A 4 -5.161 -1.235 -0.200 1.00 0.00 C -ATOM 60 O ILE A 4 -4.707 -2.324 0.147 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.424 -0.311 0.536 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.202 0.658 1.464 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.008 -1.726 0.703 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.481 2.022 0.816 1.00 0.00 C -ATOM 65 H ILE A 4 -5.901 1.792 0.575 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.743 -0.778 1.800 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.593 -0.010 -0.501 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.140 0.204 1.722 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.659 0.801 2.399 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.552 -2.414 -0.005 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.831 -2.089 1.719 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.082 -1.713 0.513 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.555 2.566 0.645 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.003 1.881 -0.131 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.118 2.609 1.477 1.00 0.00 H -ATOM 76 N GLN A 5 -5.005 -0.767 -1.445 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.266 -1.471 -2.496 1.00 0.00 C -ATOM 78 C GLN A 5 -2.794 -1.703 -2.131 1.00 0.00 C -ATOM 79 O GLN A 5 -2.290 -2.798 -2.375 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.404 -0.714 -3.831 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.577 -1.242 -4.674 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.172 -2.342 -5.657 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.444 -2.266 -6.841 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -4.511 -3.407 -5.235 1.00 0.00 N -ATOM 85 H GLN A 5 -5.339 0.164 -1.640 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.705 -2.459 -2.606 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.567 0.326 -3.624 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.485 -0.802 -4.412 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -6.322 -1.636 -4.010 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.980 -0.410 -5.253 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.079 -3.463 -4.327 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -4.196 -3.952 -6.023 1.00 0.00 H -ATOM 93 N TRP A 6 -2.131 -0.715 -1.517 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.771 -0.866 -0.989 1.00 0.00 C -ATOM 95 C TRP A 6 -0.676 -1.954 0.096 1.00 0.00 C -ATOM 96 O TRP A 6 0.217 -2.804 0.034 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.278 0.492 -0.481 1.00 0.00 C -ATOM 98 CG TRP A 6 1.076 0.483 0.156 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.258 0.449 -0.500 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.409 0.516 1.577 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.295 0.438 0.415 1.00 0.00 N -ATOM 102 CE2 TRP A 6 2.830 0.499 1.706 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.660 0.554 2.771 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.479 0.537 2.947 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.299 0.565 4.026 1.00 0.00 C -ATOM 106 CH2 TRP A 6 2.703 0.571 4.116 1.00 0.00 C -ATOM 107 H TRP A 6 -2.609 0.176 -1.403 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.117 -1.181 -1.802 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.248 1.167 -1.315 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.989 0.883 0.245 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.367 0.437 -1.575 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.290 0.412 0.180 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.419 0.574 2.716 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.558 0.526 2.988 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 0.705 0.572 4.929 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.181 0.592 5.084 1.00 0.00 H -ATOM 117 N LEU A 7 -1.612 -1.982 1.056 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.688 -3.061 2.044 1.00 0.00 C -ATOM 119 C LEU A 7 -1.950 -4.430 1.398 1.00 0.00 C -ATOM 120 O LEU A 7 -1.263 -5.384 1.758 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.739 -2.752 3.125 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.322 -1.677 4.150 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.497 -1.435 5.104 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.106 -2.095 4.988 1.00 0.00 C -ATOM 125 H LEU A 7 -2.302 -1.233 1.088 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.712 -3.148 2.521 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.632 -2.416 2.635 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.947 -3.672 3.673 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.094 -0.746 3.637 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.353 -1.060 4.542 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.770 -2.364 5.605 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.222 -0.700 5.856 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.285 -3.061 5.457 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.217 -2.154 4.362 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.919 -1.351 5.762 1.00 0.00 H -ATOM 136 N LYS A 8 -2.879 -4.534 0.430 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.176 -5.792 -0.293 1.00 0.00 C -ATOM 138 C LYS A 8 -1.940 -6.427 -0.932 1.00 0.00 C -ATOM 139 O LYS A 8 -1.861 -7.649 -0.988 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.234 -5.580 -1.389 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.650 -5.363 -0.841 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.641 -4.855 -1.906 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.271 -5.959 -2.767 1.00 0.00 C -ATOM 144 NZ LYS A 8 -6.386 -6.423 -3.863 1.00 0.00 N -ATOM 145 H LYS A 8 -3.427 -3.700 0.224 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.550 -6.525 0.424 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.957 -4.718 -1.966 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -4.252 -6.467 -2.023 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -6.013 -6.296 -0.455 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.609 -4.626 -0.042 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -7.431 -4.329 -1.405 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.171 -4.105 -2.541 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.499 -6.796 -2.135 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -8.193 -5.560 -3.199 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -6.162 -5.656 -4.484 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -5.528 -6.807 -3.488 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -6.850 -7.145 -4.401 1.00 0.00 H -ATOM 158 N ASP A 9 -1.006 -5.612 -1.428 1.00 0.00 N -ATOM 159 CA ASP A 9 0.249 -6.089 -2.012 1.00 0.00 C -ATOM 160 C ASP A 9 1.195 -6.700 -0.957 1.00 0.00 C -ATOM 161 O ASP A 9 1.906 -7.655 -1.257 1.00 0.00 O -ATOM 162 CB ASP A 9 0.908 -4.913 -2.751 1.00 0.00 C -ATOM 163 CG ASP A 9 1.926 -5.376 -3.792 1.00 0.00 C -ATOM 164 OD1 ASP A 9 3.079 -5.637 -3.380 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.557 -5.417 -4.986 1.00 0.00 O -ATOM 166 H ASP A 9 -1.181 -4.614 -1.403 1.00 0.00 H -ATOM 167 HA ASP A 9 0.021 -6.868 -2.743 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.144 -4.345 -3.245 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.399 -4.255 -2.030 1.00 0.00 H -ATOM 170 N GLY A 10 1.167 -6.180 0.281 1.00 0.00 N -ATOM 171 CA GLY A 10 2.093 -6.534 1.364 1.00 0.00 C -ATOM 172 C GLY A 10 2.641 -5.339 2.162 1.00 0.00 C -ATOM 173 O GLY A 10 3.484 -5.529 3.044 1.00 0.00 O -ATOM 174 H GLY A 10 0.409 -5.539 0.486 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.576 -7.194 2.060 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.946 -7.076 0.955 1.00 0.00 H -ATOM 177 N GLY A 11 2.182 -4.110 1.882 1.00 0.00 N -ATOM 178 CA GLY A 11 2.599 -2.906 2.599 1.00 0.00 C -ATOM 179 C GLY A 11 4.124 -2.698 2.547 1.00 0.00 C -ATOM 180 O GLY A 11 4.696 -2.700 1.453 1.00 0.00 O -ATOM 181 H GLY A 11 1.532 -3.983 1.113 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.116 -2.047 2.140 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.249 -2.984 3.627 1.00 0.00 H -ATOM 184 N PRO A 12 4.822 -2.540 3.693 1.00 0.00 N -ATOM 185 CA PRO A 12 6.282 -2.419 3.719 1.00 0.00 C -ATOM 186 C PRO A 12 7.024 -3.621 3.110 1.00 0.00 C -ATOM 187 O PRO A 12 8.145 -3.463 2.631 1.00 0.00 O -ATOM 188 CB PRO A 12 6.668 -2.252 5.194 1.00 0.00 C -ATOM 189 CG PRO A 12 5.381 -1.788 5.872 1.00 0.00 C -ATOM 190 CD PRO A 12 4.292 -2.472 5.049 1.00 0.00 C -ATOM 191 HA PRO A 12 6.564 -1.518 3.171 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.000 -3.185 5.608 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.469 -1.522 5.318 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.348 -2.107 6.896 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.287 -0.705 5.777 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.098 -3.457 5.427 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.371 -1.895 5.104 1.00 0.00 H -ATOM 198 N SER A 13 6.411 -4.816 3.098 1.00 0.00 N -ATOM 199 CA SER A 13 7.038 -6.057 2.614 1.00 0.00 C -ATOM 200 C SER A 13 7.028 -6.197 1.080 1.00 0.00 C -ATOM 201 O SER A 13 7.416 -7.241 0.562 1.00 0.00 O -ATOM 202 CB SER A 13 6.390 -7.277 3.283 1.00 0.00 C -ATOM 203 OG SER A 13 6.567 -7.211 4.686 1.00 0.00 O -ATOM 204 H SER A 13 5.434 -4.862 3.375 1.00 0.00 H -ATOM 205 HA SER A 13 8.085 -6.051 2.913 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.341 -7.291 3.057 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.867 -8.188 2.919 1.00 0.00 H -ATOM 208 HG SER A 13 6.098 -6.440 5.015 1.00 0.00 H -ATOM 209 N SER A 14 6.620 -5.147 0.358 1.00 0.00 N -ATOM 210 CA SER A 14 6.465 -5.116 -1.104 1.00 0.00 C -ATOM 211 C SER A 14 7.520 -4.277 -1.839 1.00 0.00 C -ATOM 212 O SER A 14 7.383 -4.035 -3.039 1.00 0.00 O -ATOM 213 CB SER A 14 5.072 -4.582 -1.431 1.00 0.00 C -ATOM 214 OG SER A 14 4.112 -5.580 -1.231 1.00 0.00 O -ATOM 215 H SER A 14 6.276 -4.349 0.876 1.00 0.00 H -ATOM 216 HA SER A 14 6.531 -6.130 -1.502 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.854 -3.747 -0.793 1.00 0.00 H -ATOM 218 HB3 SER A 14 5.022 -4.287 -2.477 1.00 0.00 H -ATOM 219 HG SER A 14 3.651 -5.690 -2.148 1.00 0.00 H -ATOM 220 N GLY A 15 8.549 -3.780 -1.139 1.00 0.00 N -ATOM 221 CA GLY A 15 9.587 -2.933 -1.741 1.00 0.00 C -ATOM 222 C GLY A 15 9.096 -1.536 -2.151 1.00 0.00 C -ATOM 223 O GLY A 15 9.726 -0.894 -2.987 1.00 0.00 O -ATOM 224 H GLY A 15 8.618 -4.033 -0.161 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.410 -2.813 -1.039 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.975 -3.426 -2.634 1.00 0.00 H -ATOM 227 N ARG A 16 7.969 -1.073 -1.587 1.00 0.00 N -ATOM 228 CA ARG A 16 7.285 0.177 -1.944 1.00 0.00 C -ATOM 229 C ARG A 16 6.807 0.935 -0.691 1.00 0.00 C -ATOM 230 O ARG A 16 6.125 0.336 0.145 1.00 0.00 O -ATOM 231 CB ARG A 16 6.131 -0.110 -2.930 1.00 0.00 C -ATOM 232 CG ARG A 16 5.136 -1.187 -2.454 1.00 0.00 C -ATOM 233 CD ARG A 16 3.995 -1.438 -3.443 1.00 0.00 C -ATOM 234 NE ARG A 16 4.473 -2.075 -4.685 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.016 -1.881 -5.916 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.041 -1.038 -6.174 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.543 -2.530 -6.926 1.00 0.00 N -ATOM 238 H ARG A 16 7.539 -1.660 -0.885 1.00 0.00 H -ATOM 239 HA ARG A 16 8.004 0.797 -2.475 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.588 0.802 -3.085 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.569 -0.435 -3.874 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.671 -2.106 -2.312 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.696 -0.891 -1.507 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.270 -2.080 -2.981 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.510 -0.485 -3.654 1.00 0.00 H -ATOM 246 HE ARG A 16 5.199 -2.769 -4.574 1.00 0.00 H -ATOM 247 HH11 ARG A 16 2.612 -0.568 -5.400 1.00 0.00 H -ATOM 248 HH12 ARG A 16 2.697 -0.911 -7.106 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.261 -3.213 -6.759 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.184 -2.398 -7.852 1.00 0.00 H -ATOM 251 N PRO A 17 7.131 2.235 -0.537 1.00 0.00 N -ATOM 252 CA PRO A 17 6.706 3.032 0.616 1.00 0.00 C -ATOM 253 C PRO A 17 5.183 3.290 0.607 1.00 0.00 C -ATOM 254 O PRO A 17 4.540 3.099 -0.429 1.00 0.00 O -ATOM 255 CB PRO A 17 7.514 4.332 0.509 1.00 0.00 C -ATOM 256 CG PRO A 17 7.726 4.499 -0.992 1.00 0.00 C -ATOM 257 CD PRO A 17 7.879 3.059 -1.478 1.00 0.00 C -ATOM 258 HA PRO A 17 6.972 2.511 1.537 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.963 5.160 0.913 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.479 4.197 1.000 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.880 4.973 -1.451 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.611 5.095 -1.213 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.476 2.955 -2.467 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.931 2.771 -1.454 1.00 0.00 H -ATOM 265 N PRO A 18 4.594 3.738 1.736 1.00 0.00 N -ATOM 266 CA PRO A 18 3.165 4.041 1.816 1.00 0.00 C -ATOM 267 C PRO A 18 2.783 5.192 0.871 1.00 0.00 C -ATOM 268 O PRO A 18 3.492 6.199 0.824 1.00 0.00 O -ATOM 269 CB PRO A 18 2.894 4.397 3.281 1.00 0.00 C -ATOM 270 CG PRO A 18 4.254 4.847 3.808 1.00 0.00 C -ATOM 271 CD PRO A 18 5.233 3.978 3.023 1.00 0.00 C -ATOM 272 HA PRO A 18 2.603 3.146 1.565 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.175 5.190 3.354 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.571 3.506 3.818 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.419 5.889 3.610 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.347 4.691 4.883 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.166 4.491 2.889 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.375 3.027 3.537 1.00 0.00 H -ATOM 279 N PRO A 19 1.669 5.075 0.121 1.00 0.00 N -ATOM 280 CA PRO A 19 1.193 6.145 -0.742 1.00 0.00 C -ATOM 281 C PRO A 19 0.412 7.189 0.066 1.00 0.00 C -ATOM 282 O PRO A 19 -0.366 6.839 0.959 1.00 0.00 O -ATOM 283 CB PRO A 19 0.286 5.445 -1.758 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.334 4.311 -0.945 1.00 0.00 C -ATOM 285 CD PRO A 19 0.787 3.922 0.021 1.00 0.00 C -ATOM 286 HA PRO A 19 2.027 6.623 -1.257 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.469 6.113 -2.125 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.899 5.024 -2.558 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.202 4.649 -0.412 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.632 3.479 -1.581 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.379 3.683 0.984 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.349 3.085 -0.391 1.00 0.00 H -ATOM 293 N SER A 20 0.545 8.452 -0.361 1.00 0.00 N -ATOM 294 CA SER A 20 -0.267 9.613 0.032 1.00 0.00 C -ATOM 295 C SER A 20 0.099 10.270 1.361 1.00 0.00 C -ATOM 296 O SER A 20 1.001 9.777 2.071 1.00 0.00 O -ATOM 297 CB SER A 20 -1.745 9.233 0.059 1.00 0.00 C -ATOM 298 OG SER A 20 -2.498 10.392 -0.203 1.00 0.00 O -ATOM 299 OXT SER A 20 -0.596 11.284 1.612 1.00 0.00 O -ATOM 300 H SER A 20 1.265 8.618 -1.047 1.00 0.00 H -ATOM 301 HA SER A 20 -0.121 10.385 -0.723 1.00 0.00 H -ATOM 302 HB2 SER A 20 -1.944 8.492 -0.691 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.994 8.859 1.055 1.00 0.00 H -ATOM 304 HG SER A 20 -2.028 11.083 0.314 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 20 -ATOM 1 N ASN A 1 -8.559 6.374 -1.226 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.539 6.170 -0.168 1.00 0.00 C -ATOM 3 C ASN A 1 -6.191 5.649 -0.655 1.00 0.00 C -ATOM 4 O ASN A 1 -5.194 6.053 -0.072 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.062 5.285 0.966 1.00 0.00 C -ATOM 6 CG ASN A 1 -8.992 6.102 1.840 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -10.159 6.243 1.517 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -8.488 6.730 2.886 1.00 0.00 N -ATOM 9 H1 ASN A 1 -8.207 6.992 -1.945 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.827 5.491 -1.639 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.389 6.786 -0.814 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.316 7.145 0.269 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.596 4.450 0.554 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -7.238 4.906 1.572 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -7.518 6.672 3.157 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -9.151 7.262 3.426 1.00 0.00 H -ATOM 17 N LEU A 2 -6.126 4.735 -1.642 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.891 4.125 -2.180 1.00 0.00 C -ATOM 19 C LEU A 2 -4.153 3.176 -1.204 1.00 0.00 C -ATOM 20 O LEU A 2 -3.597 2.164 -1.636 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.962 5.228 -2.759 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.563 5.018 -4.237 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.974 6.221 -5.092 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -2.055 4.808 -4.389 1.00 0.00 C -ATOM 25 H LEU A 2 -6.972 4.387 -2.062 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.209 3.487 -3.002 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.470 6.170 -2.679 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.068 5.296 -2.140 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.066 4.139 -4.638 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -5.024 6.461 -4.923 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.363 7.091 -4.843 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.839 5.983 -6.147 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -1.524 5.712 -4.089 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -1.743 3.967 -3.772 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -1.820 4.596 -5.432 1.00 0.00 H -ATOM 36 N TYR A 3 -4.202 3.452 0.106 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.575 2.669 1.174 1.00 0.00 C -ATOM 38 C TYR A 3 -4.020 1.200 1.203 1.00 0.00 C -ATOM 39 O TYR A 3 -3.195 0.322 1.447 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.843 3.340 2.530 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.673 3.212 3.480 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.543 2.088 4.320 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.689 4.217 3.496 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.427 1.974 5.172 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.574 4.112 4.346 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.438 2.983 5.184 1.00 0.00 C -ATOM 47 OH TYR A 3 0.646 2.858 5.993 1.00 0.00 O -ATOM 48 H TYR A 3 -4.568 4.369 0.345 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.498 2.677 1.000 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.041 4.382 2.366 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.737 2.911 2.988 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.296 1.314 4.305 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.794 5.082 2.856 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.307 1.120 5.821 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.166 4.899 4.359 1.00 0.00 H -ATOM 56 HH TYR A 3 1.278 3.565 5.851 1.00 0.00 H -ATOM 57 N ILE A 4 -5.303 0.928 0.911 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.843 -0.436 0.816 1.00 0.00 C -ATOM 59 C ILE A 4 -5.054 -1.237 -0.220 1.00 0.00 C -ATOM 60 O ILE A 4 -4.584 -2.327 0.084 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.357 -0.449 0.483 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.184 0.429 1.452 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.909 -1.886 0.515 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.655 1.719 0.779 1.00 0.00 C -ATOM 65 H ILE A 4 -5.915 1.709 0.742 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.704 -0.925 1.782 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.493 -0.077 -0.536 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.042 -0.126 1.779 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.595 0.676 2.336 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.390 -2.519 -0.204 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.795 -2.311 1.514 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.968 -1.881 0.251 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.807 2.246 0.343 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.375 1.482 -0.007 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.141 2.352 1.521 1.00 0.00 H -ATOM 76 N GLN A 5 -4.882 -0.682 -1.427 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.187 -1.318 -2.543 1.00 0.00 C -ATOM 78 C GLN A 5 -2.715 -1.599 -2.195 1.00 0.00 C -ATOM 79 O GLN A 5 -2.236 -2.714 -2.401 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.359 -0.428 -3.793 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.481 -1.221 -5.109 1.00 0.00 C -ATOM 82 CD GLN A 5 -3.302 -1.006 -6.054 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -2.144 -1.029 -5.666 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -3.557 -0.777 -7.329 1.00 0.00 N -ATOM 85 H GLN A 5 -5.224 0.258 -1.562 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.671 -2.279 -2.721 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.247 0.161 -3.669 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.541 0.293 -3.855 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -4.542 -2.266 -4.873 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.394 -0.897 -5.613 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.491 -0.741 -7.700 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -2.737 -0.694 -7.906 1.00 0.00 H -ATOM 93 N TRP A 6 -2.029 -0.624 -1.578 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.665 -0.788 -1.058 1.00 0.00 C -ATOM 95 C TRP A 6 -0.556 -1.893 0.011 1.00 0.00 C -ATOM 96 O TRP A 6 0.331 -2.745 -0.077 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.159 0.559 -0.523 1.00 0.00 C -ATOM 98 CG TRP A 6 1.225 0.523 0.051 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.372 0.435 -0.663 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.630 0.513 1.454 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.451 0.386 0.196 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.054 0.444 1.511 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.945 0.537 2.688 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.767 0.433 2.717 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.648 0.497 3.907 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.054 0.465 3.925 1.00 0.00 C -ATOM 107 H TRP A 6 -2.509 0.259 -1.436 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.018 -1.090 -1.882 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.168 1.265 -1.331 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.840 0.912 0.252 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.432 0.386 -1.739 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.433 0.309 -0.087 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.135 0.584 2.691 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.847 0.386 2.702 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.107 0.502 4.843 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.581 0.457 4.869 1.00 0.00 H -ATOM 117 N LEU A 7 -1.463 -1.916 0.999 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.525 -3.000 1.984 1.00 0.00 C -ATOM 119 C LEU A 7 -1.822 -4.357 1.333 1.00 0.00 C -ATOM 120 O LEU A 7 -1.178 -5.338 1.700 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.557 -2.691 3.086 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.097 -1.666 4.139 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.252 -1.407 5.113 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.893 -2.152 4.958 1.00 0.00 C -ATOM 125 H LEU A 7 -2.157 -1.171 1.046 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.541 -3.101 2.440 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.443 -2.310 2.615 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.794 -3.620 3.606 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.835 -0.730 3.648 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.113 -1.019 4.569 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.533 -2.334 5.614 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.951 -0.680 5.866 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.114 -3.120 5.409 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.012 -2.241 4.326 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.668 -1.436 5.747 1.00 0.00 H -ATOM 136 N LYS A 8 -2.738 -4.419 0.353 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.104 -5.647 -0.376 1.00 0.00 C -ATOM 138 C LYS A 8 -1.891 -6.322 -1.027 1.00 0.00 C -ATOM 139 O LYS A 8 -1.817 -7.547 -1.040 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.205 -5.340 -1.415 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.335 -6.380 -1.451 1.00 0.00 C -ATOM 142 CD LYS A 8 -4.972 -7.663 -2.207 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.125 -8.664 -2.114 1.00 0.00 C -ATOM 144 NZ LYS A 8 -5.771 -9.943 -2.773 1.00 0.00 N -ATOM 145 H LYS A 8 -3.250 -3.563 0.145 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.490 -6.354 0.358 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.633 -4.384 -1.181 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.770 -5.224 -2.411 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.586 -6.642 -0.441 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -6.197 -5.928 -1.944 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -4.786 -7.429 -3.237 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -4.085 -8.111 -1.765 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -6.345 -8.851 -1.081 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.012 -8.228 -2.581 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -5.589 -9.789 -3.756 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -4.937 -10.327 -2.348 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -6.525 -10.610 -2.677 1.00 0.00 H -ATOM 158 N ASP A 9 -0.939 -5.531 -1.526 1.00 0.00 N -ATOM 159 CA ASP A 9 0.321 -6.020 -2.093 1.00 0.00 C -ATOM 160 C ASP A 9 1.283 -6.607 -1.037 1.00 0.00 C -ATOM 161 O ASP A 9 2.139 -7.419 -1.377 1.00 0.00 O -ATOM 162 CB ASP A 9 0.989 -4.858 -2.850 1.00 0.00 C -ATOM 163 CG ASP A 9 1.796 -5.335 -4.057 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.163 -5.904 -4.975 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.019 -5.073 -4.070 1.00 0.00 O -ATOM 166 H ASP A 9 -1.118 -4.533 -1.538 1.00 0.00 H -ATOM 167 HA ASP A 9 0.090 -6.813 -2.809 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.226 -4.185 -3.190 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.629 -4.297 -2.165 1.00 0.00 H -ATOM 170 N GLY A 10 1.133 -6.217 0.240 1.00 0.00 N -ATOM 171 CA GLY A 10 2.010 -6.592 1.355 1.00 0.00 C -ATOM 172 C GLY A 10 2.573 -5.411 2.161 1.00 0.00 C -ATOM 173 O GLY A 10 3.398 -5.625 3.054 1.00 0.00 O -ATOM 174 H GLY A 10 0.303 -5.675 0.461 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.445 -7.224 2.039 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.855 -7.173 0.983 1.00 0.00 H -ATOM 177 N GLY A 11 2.155 -4.169 1.875 1.00 0.00 N -ATOM 178 CA GLY A 11 2.637 -2.966 2.554 1.00 0.00 C -ATOM 179 C GLY A 11 4.173 -2.844 2.510 1.00 0.00 C -ATOM 180 O GLY A 11 4.743 -2.864 1.419 1.00 0.00 O -ATOM 181 H GLY A 11 1.499 -4.036 1.112 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.212 -2.097 2.057 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.276 -2.984 3.579 1.00 0.00 H -ATOM 184 N PRO A 12 4.876 -2.729 3.659 1.00 0.00 N -ATOM 185 CA PRO A 12 6.341 -2.693 3.687 1.00 0.00 C -ATOM 186 C PRO A 12 7.005 -3.929 3.062 1.00 0.00 C -ATOM 187 O PRO A 12 8.095 -3.815 2.504 1.00 0.00 O -ATOM 188 CB PRO A 12 6.736 -2.568 5.165 1.00 0.00 C -ATOM 189 CG PRO A 12 5.479 -2.037 5.847 1.00 0.00 C -ATOM 190 CD PRO A 12 4.350 -2.640 5.013 1.00 0.00 C -ATOM 191 HA PRO A 12 6.678 -1.805 3.152 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.012 -3.524 5.567 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.579 -1.889 5.296 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.424 -2.369 6.866 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.453 -0.949 5.767 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.091 -3.614 5.380 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.468 -2.003 5.070 1.00 0.00 H -ATOM 198 N SER A 13 6.350 -5.101 3.114 1.00 0.00 N -ATOM 199 CA SER A 13 6.894 -6.348 2.558 1.00 0.00 C -ATOM 200 C SER A 13 7.064 -6.302 1.037 1.00 0.00 C -ATOM 201 O SER A 13 7.806 -7.118 0.493 1.00 0.00 O -ATOM 202 CB SER A 13 5.994 -7.536 2.906 1.00 0.00 C -ATOM 203 OG SER A 13 6.670 -8.733 2.580 1.00 0.00 O -ATOM 204 H SER A 13 5.406 -5.120 3.489 1.00 0.00 H -ATOM 205 HA SER A 13 7.875 -6.522 3.002 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.770 -7.523 3.955 1.00 0.00 H -ATOM 207 HB3 SER A 13 5.068 -7.474 2.335 1.00 0.00 H -ATOM 208 HG SER A 13 7.095 -8.611 1.716 1.00 0.00 H -ATOM 209 N SER A 14 6.380 -5.370 0.366 1.00 0.00 N -ATOM 210 CA SER A 14 6.436 -5.119 -1.073 1.00 0.00 C -ATOM 211 C SER A 14 7.612 -4.213 -1.472 1.00 0.00 C -ATOM 212 O SER A 14 7.787 -3.922 -2.655 1.00 0.00 O -ATOM 213 CB SER A 14 5.135 -4.433 -1.522 1.00 0.00 C -ATOM 214 OG SER A 14 4.021 -4.846 -0.754 1.00 0.00 O -ATOM 215 H SER A 14 5.700 -4.806 0.866 1.00 0.00 H -ATOM 216 HA SER A 14 6.525 -6.070 -1.599 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.251 -3.371 -1.420 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.963 -4.657 -2.575 1.00 0.00 H -ATOM 219 HG SER A 14 3.267 -4.316 -1.024 1.00 0.00 H -ATOM 220 N GLY A 15 8.377 -3.685 -0.506 1.00 0.00 N -ATOM 221 CA GLY A 15 9.506 -2.771 -0.715 1.00 0.00 C -ATOM 222 C GLY A 15 9.108 -1.335 -1.091 1.00 0.00 C -ATOM 223 O GLY A 15 9.766 -0.389 -0.660 1.00 0.00 O -ATOM 224 H GLY A 15 8.157 -3.928 0.457 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.096 -2.732 0.199 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.140 -3.166 -1.510 1.00 0.00 H -ATOM 227 N ARG A 16 8.034 -1.153 -1.871 1.00 0.00 N -ATOM 228 CA ARG A 16 7.469 0.154 -2.234 1.00 0.00 C -ATOM 229 C ARG A 16 6.973 0.913 -0.978 1.00 0.00 C -ATOM 230 O ARG A 16 6.211 0.332 -0.200 1.00 0.00 O -ATOM 231 CB ARG A 16 6.320 -0.061 -3.236 1.00 0.00 C -ATOM 232 CG ARG A 16 5.701 1.259 -3.728 1.00 0.00 C -ATOM 233 CD ARG A 16 4.282 1.081 -4.280 1.00 0.00 C -ATOM 234 NE ARG A 16 3.436 2.223 -3.888 1.00 0.00 N -ATOM 235 CZ ARG A 16 2.113 2.270 -3.848 1.00 0.00 C -ATOM 236 NH1 ARG A 16 1.365 1.261 -4.236 1.00 0.00 N -ATOM 237 NH2 ARG A 16 1.519 3.348 -3.396 1.00 0.00 N -ATOM 238 H ARG A 16 7.609 -2.003 -2.232 1.00 0.00 H -ATOM 239 HA ARG A 16 8.260 0.723 -2.719 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.701 -0.598 -4.084 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.552 -0.663 -2.744 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.665 1.948 -2.906 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.342 1.711 -4.487 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.323 1.021 -5.351 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.851 0.165 -3.875 1.00 0.00 H -ATOM 246 HE ARG A 16 3.920 3.015 -3.494 1.00 0.00 H -ATOM 247 HH11 ARG A 16 1.821 0.446 -4.608 1.00 0.00 H -ATOM 248 HH12 ARG A 16 0.362 1.295 -4.201 1.00 0.00 H -ATOM 249 HH21 ARG A 16 2.072 4.122 -3.070 1.00 0.00 H -ATOM 250 HH22 ARG A 16 0.518 3.399 -3.384 1.00 0.00 H -ATOM 251 N PRO A 17 7.293 2.215 -0.808 1.00 0.00 N -ATOM 252 CA PRO A 17 6.771 3.037 0.288 1.00 0.00 C -ATOM 253 C PRO A 17 5.246 3.279 0.193 1.00 0.00 C -ATOM 254 O PRO A 17 4.657 3.102 -0.882 1.00 0.00 O -ATOM 255 CB PRO A 17 7.554 4.355 0.201 1.00 0.00 C -ATOM 256 CG PRO A 17 7.898 4.468 -1.280 1.00 0.00 C -ATOM 257 CD PRO A 17 8.151 3.015 -1.674 1.00 0.00 C -ATOM 258 HA PRO A 17 6.993 2.548 1.239 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.949 5.182 0.518 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.473 4.272 0.782 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.081 4.884 -1.837 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.774 5.093 -1.450 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.895 2.857 -2.704 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.194 2.757 -1.486 1.00 0.00 H -ATOM 265 N PRO A 18 4.597 3.714 1.294 1.00 0.00 N -ATOM 266 CA PRO A 18 3.162 3.983 1.317 1.00 0.00 C -ATOM 267 C PRO A 18 2.768 5.182 0.431 1.00 0.00 C -ATOM 268 O PRO A 18 3.608 6.024 0.114 1.00 0.00 O -ATOM 269 CB PRO A 18 2.811 4.228 2.790 1.00 0.00 C -ATOM 270 CG PRO A 18 4.117 4.740 3.389 1.00 0.00 C -ATOM 271 CD PRO A 18 5.176 3.963 2.610 1.00 0.00 C -ATOM 272 HA PRO A 18 2.635 3.096 0.970 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.034 4.962 2.882 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.539 3.285 3.264 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.224 5.797 3.237 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.178 4.547 4.461 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.074 4.543 2.520 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.373 3.011 3.105 1.00 0.00 H -ATOM 279 N PRO A 19 1.485 5.278 0.026 1.00 0.00 N -ATOM 280 CA PRO A 19 0.982 6.372 -0.808 1.00 0.00 C -ATOM 281 C PRO A 19 0.682 7.673 -0.045 1.00 0.00 C -ATOM 282 O PRO A 19 0.626 8.727 -0.675 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.302 5.824 -1.426 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.825 4.851 -0.371 1.00 0.00 C -ATOM 285 CD PRO A 19 0.452 4.272 0.229 1.00 0.00 C -ATOM 286 HA PRO A 19 1.699 6.601 -1.599 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.008 6.612 -1.603 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.052 5.278 -2.333 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.402 5.364 0.374 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.440 4.069 -0.815 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.318 4.081 1.276 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.728 3.363 -0.309 1.00 0.00 H -ATOM 293 N SER A 20 0.482 7.598 1.276 1.00 0.00 N -ATOM 294 CA SER A 20 0.266 8.724 2.196 1.00 0.00 C -ATOM 295 C SER A 20 1.329 8.752 3.288 1.00 0.00 C -ATOM 296 O SER A 20 1.742 7.644 3.706 1.00 0.00 O -ATOM 297 CB SER A 20 -1.141 8.690 2.805 1.00 0.00 C -ATOM 298 OG SER A 20 -1.374 7.496 3.524 1.00 0.00 O -ATOM 299 OXT SER A 20 1.652 9.878 3.716 1.00 0.00 O -ATOM 300 H SER A 20 0.581 6.704 1.731 1.00 0.00 H -ATOM 301 HA SER A 20 0.368 9.660 1.645 1.00 0.00 H -ATOM 302 HB2 SER A 20 -1.251 9.524 3.471 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.884 8.784 2.011 1.00 0.00 H -ATOM 304 HG SER A 20 -0.759 7.480 4.268 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 21 -ATOM 1 N ASN A 1 -8.205 5.399 0.404 1.00 0.00 N -ATOM 2 CA ASN A 1 -8.421 4.425 -0.695 1.00 0.00 C -ATOM 3 C ASN A 1 -7.126 3.775 -1.163 1.00 0.00 C -ATOM 4 O ASN A 1 -6.987 2.568 -1.004 1.00 0.00 O -ATOM 5 CB ASN A 1 -9.214 5.043 -1.856 1.00 0.00 C -ATOM 6 CG ASN A 1 -10.664 5.161 -1.424 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -10.997 6.047 -0.655 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -11.516 4.226 -1.803 1.00 0.00 N -ATOM 9 H1 ASN A 1 -7.624 4.992 1.125 1.00 0.00 H -ATOM 10 H2 ASN A 1 -7.759 6.235 0.050 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.098 5.664 0.802 1.00 0.00 H -ATOM 12 HA ASN A 1 -9.021 3.603 -0.300 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.823 6.015 -2.087 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -9.147 4.412 -2.743 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -11.263 3.457 -2.402 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -12.463 4.349 -1.476 1.00 0.00 H -ATOM 17 N LEU A 2 -6.172 4.549 -1.692 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.889 4.051 -2.203 1.00 0.00 C -ATOM 19 C LEU A 2 -4.114 3.184 -1.190 1.00 0.00 C -ATOM 20 O LEU A 2 -3.509 2.181 -1.570 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.073 5.277 -2.655 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.033 5.475 -4.183 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.073 6.965 -4.529 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -2.762 4.845 -4.764 1.00 0.00 C -ATOM 25 H LEU A 2 -6.330 5.538 -1.816 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.081 3.408 -3.065 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.507 6.153 -2.213 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.055 5.173 -2.305 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.900 4.998 -4.643 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -5.100 7.324 -4.467 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.450 7.536 -3.839 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.711 7.128 -5.545 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -1.884 5.386 -4.413 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -2.688 3.801 -4.461 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -2.792 4.898 -5.853 1.00 0.00 H -ATOM 36 N TYR A 3 -4.187 3.525 0.103 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.556 2.775 1.192 1.00 0.00 C -ATOM 38 C TYR A 3 -4.000 1.305 1.250 1.00 0.00 C -ATOM 39 O TYR A 3 -3.195 0.429 1.563 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.840 3.474 2.532 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.641 3.483 3.456 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.318 2.335 4.203 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.834 4.634 3.549 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.190 2.334 5.043 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.712 4.643 4.398 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.385 3.488 5.143 1.00 0.00 C -ATOM 47 OH TYR A 3 0.689 3.483 5.975 1.00 0.00 O -ATOM 48 H TYR A 3 -4.659 4.384 0.331 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.477 2.787 1.022 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.128 4.489 2.335 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.675 2.981 3.036 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -2.934 1.451 4.126 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -2.071 5.516 2.968 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -0.931 1.461 5.624 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.096 5.527 4.474 1.00 0.00 H -ATOM 56 HH TYR A 3 0.536 4.026 6.750 1.00 0.00 H -ATOM 57 N ILE A 4 -5.268 1.027 0.907 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.809 -0.333 0.842 1.00 0.00 C -ATOM 59 C ILE A 4 -5.065 -1.132 -0.228 1.00 0.00 C -ATOM 60 O ILE A 4 -4.619 -2.244 0.044 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.333 -0.322 0.572 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.130 0.602 1.523 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.912 -1.748 0.626 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -7.837 0.419 3.019 1.00 0.00 C -ATOM 65 H ILE A 4 -5.853 1.783 0.573 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.628 -0.825 1.798 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.498 0.045 -0.442 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -7.904 1.618 1.263 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -9.195 0.439 1.352 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.438 -2.382 -0.123 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.755 -2.190 1.610 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.983 -1.721 0.418 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.575 -0.614 3.246 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -7.012 1.067 3.316 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.722 0.689 3.595 1.00 0.00 H -ATOM 76 N GLN A 5 -4.894 -0.554 -1.425 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.180 -1.182 -2.538 1.00 0.00 C -ATOM 78 C GLN A 5 -2.711 -1.453 -2.172 1.00 0.00 C -ATOM 79 O GLN A 5 -2.211 -2.547 -2.418 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.321 -0.301 -3.794 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.173 -1.098 -5.104 1.00 0.00 C -ATOM 82 CD GLN A 5 -2.956 -0.675 -5.920 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -1.933 -1.333 -5.943 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -3.020 0.437 -6.629 1.00 0.00 N -ATOM 85 H GLN A 5 -5.218 0.396 -1.539 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.656 -2.143 -2.729 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.289 0.161 -3.782 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.593 0.512 -3.762 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -4.079 -2.139 -4.863 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.066 -0.948 -5.712 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -3.834 1.023 -6.661 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -2.179 0.616 -7.149 1.00 0.00 H -ATOM 93 N TRP A 6 -2.050 -0.491 -1.510 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.682 -0.649 -1.004 1.00 0.00 C -ATOM 95 C TRP A 6 -0.552 -1.777 0.033 1.00 0.00 C -ATOM 96 O TRP A 6 0.343 -2.619 -0.074 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.195 0.683 -0.426 1.00 0.00 C -ATOM 98 CG TRP A 6 1.199 0.640 0.118 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.328 0.641 -0.626 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.638 0.542 1.510 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.424 0.533 0.208 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.060 0.471 1.527 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.987 0.512 2.761 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.807 0.373 2.709 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.723 0.410 3.959 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.128 0.343 3.936 1.00 0.00 C -ATOM 107 H TRP A 6 -2.536 0.387 -1.350 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.035 -0.916 -1.840 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.231 1.421 -1.204 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.865 0.995 0.375 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.362 0.708 -1.706 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.401 0.535 -0.078 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.088 0.583 2.787 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.885 0.322 2.660 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.210 0.395 4.909 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.683 0.276 4.862 1.00 0.00 H -ATOM 117 N LEU A 7 -1.451 -1.826 1.027 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.482 -2.920 2.000 1.00 0.00 C -ATOM 119 C LEU A 7 -1.770 -4.274 1.337 1.00 0.00 C -ATOM 120 O LEU A 7 -1.172 -5.271 1.735 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.494 -2.616 3.120 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.022 -1.536 4.111 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.153 -1.196 5.086 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.804 -1.981 4.934 1.00 0.00 C -ATOM 125 H LEU A 7 -2.149 -1.086 1.092 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.489 -3.014 2.435 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.409 -2.283 2.668 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.686 -3.532 3.681 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.764 -0.633 3.565 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.027 -0.854 4.530 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.418 -2.076 5.672 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.833 -0.402 5.761 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.025 -2.912 5.456 1.00 0.00 H -ATOM 134 HD22 LEU A 7 0.060 -2.128 4.287 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.552 -1.214 5.664 1.00 0.00 H -ATOM 136 N LYS A 8 -2.622 -4.312 0.302 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.964 -5.533 -0.446 1.00 0.00 C -ATOM 138 C LYS A 8 -1.748 -6.215 -1.087 1.00 0.00 C -ATOM 139 O LYS A 8 -1.680 -7.440 -1.095 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.040 -5.202 -1.495 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.019 -6.365 -1.703 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.311 -5.884 -2.382 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.429 -6.917 -2.201 1.00 0.00 C -ATOM 144 NZ LYS A 8 -8.063 -6.804 -0.863 1.00 0.00 N -ATOM 145 H LYS A 8 -3.107 -3.448 0.065 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.372 -6.243 0.275 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.590 -4.341 -1.167 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.577 -4.927 -2.444 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.554 -7.109 -2.321 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.268 -6.792 -0.732 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.615 -4.953 -1.943 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.116 -5.737 -3.446 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -8.176 -6.759 -2.955 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.998 -7.914 -2.334 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -7.353 -6.774 -0.143 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -8.612 -5.957 -0.808 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -8.670 -7.595 -0.691 1.00 0.00 H -ATOM 158 N ASP A 9 -0.774 -5.426 -1.557 1.00 0.00 N -ATOM 159 CA ASP A 9 0.530 -5.873 -2.078 1.00 0.00 C -ATOM 160 C ASP A 9 1.485 -6.399 -0.981 1.00 0.00 C -ATOM 161 O ASP A 9 2.573 -6.882 -1.301 1.00 0.00 O -ATOM 162 CB ASP A 9 1.212 -4.694 -2.814 1.00 0.00 C -ATOM 163 CG ASP A 9 1.583 -4.991 -4.272 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.662 -5.343 -5.038 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.782 -4.809 -4.612 1.00 0.00 O -ATOM 166 H ASP A 9 -0.962 -4.430 -1.556 1.00 0.00 H -ATOM 167 HA ASP A 9 0.358 -6.689 -2.785 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.541 -3.857 -2.802 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.121 -4.414 -2.279 1.00 0.00 H -ATOM 170 N GLY A 10 1.125 -6.270 0.304 1.00 0.00 N -ATOM 171 CA GLY A 10 1.936 -6.685 1.451 1.00 0.00 C -ATOM 172 C GLY A 10 2.565 -5.530 2.237 1.00 0.00 C -ATOM 173 O GLY A 10 3.424 -5.778 3.084 1.00 0.00 O -ATOM 174 H GLY A 10 0.211 -5.877 0.508 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.298 -7.243 2.136 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.735 -7.352 1.125 1.00 0.00 H -ATOM 177 N GLY A 11 2.184 -4.272 1.973 1.00 0.00 N -ATOM 178 CA GLY A 11 2.732 -3.116 2.683 1.00 0.00 C -ATOM 179 C GLY A 11 4.265 -3.035 2.545 1.00 0.00 C -ATOM 180 O GLY A 11 4.771 -3.134 1.422 1.00 0.00 O -ATOM 181 H GLY A 11 1.507 -4.103 1.237 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.296 -2.204 2.279 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.443 -3.201 3.729 1.00 0.00 H -ATOM 184 N PRO A 12 5.029 -2.881 3.651 1.00 0.00 N -ATOM 185 CA PRO A 12 6.491 -2.829 3.600 1.00 0.00 C -ATOM 186 C PRO A 12 7.138 -4.072 2.966 1.00 0.00 C -ATOM 187 O PRO A 12 8.211 -3.949 2.375 1.00 0.00 O -ATOM 188 CB PRO A 12 6.970 -2.642 5.048 1.00 0.00 C -ATOM 189 CG PRO A 12 5.734 -2.162 5.806 1.00 0.00 C -ATOM 190 CD PRO A 12 4.578 -2.795 5.033 1.00 0.00 C -ATOM 191 HA PRO A 12 6.783 -1.953 3.019 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.325 -3.570 5.452 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.775 -1.907 5.107 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.750 -2.505 6.823 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.663 -1.077 5.744 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.362 -3.773 5.418 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.684 -2.179 5.140 1.00 0.00 H -ATOM 198 N SER A 13 6.492 -5.249 3.030 1.00 0.00 N -ATOM 199 CA SER A 13 7.032 -6.510 2.502 1.00 0.00 C -ATOM 200 C SER A 13 7.252 -6.475 0.991 1.00 0.00 C -ATOM 201 O SER A 13 8.198 -7.085 0.501 1.00 0.00 O -ATOM 202 CB SER A 13 6.085 -7.675 2.806 1.00 0.00 C -ATOM 203 OG SER A 13 5.872 -7.807 4.197 1.00 0.00 O -ATOM 204 H SER A 13 5.578 -5.299 3.472 1.00 0.00 H -ATOM 205 HA SER A 13 7.994 -6.707 2.977 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.144 -7.497 2.322 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.513 -8.600 2.417 1.00 0.00 H -ATOM 208 HG SER A 13 6.506 -8.436 4.551 1.00 0.00 H -ATOM 209 N SER A 14 6.398 -5.751 0.257 1.00 0.00 N -ATOM 210 CA SER A 14 6.540 -5.569 -1.189 1.00 0.00 C -ATOM 211 C SER A 14 7.723 -4.673 -1.582 1.00 0.00 C -ATOM 212 O SER A 14 8.110 -4.660 -2.750 1.00 0.00 O -ATOM 213 CB SER A 14 5.248 -4.986 -1.771 1.00 0.00 C -ATOM 214 OG SER A 14 4.583 -5.979 -2.515 1.00 0.00 O -ATOM 215 H SER A 14 5.654 -5.262 0.743 1.00 0.00 H -ATOM 216 HA SER A 14 6.710 -6.543 -1.651 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.614 -4.652 -0.972 1.00 0.00 H -ATOM 218 HB3 SER A 14 5.507 -4.180 -2.451 1.00 0.00 H -ATOM 219 HG SER A 14 3.809 -6.342 -2.003 1.00 0.00 H -ATOM 220 N GLY A 15 8.298 -3.917 -0.635 1.00 0.00 N -ATOM 221 CA GLY A 15 9.467 -3.068 -0.877 1.00 0.00 C -ATOM 222 C GLY A 15 9.130 -1.720 -1.522 1.00 0.00 C -ATOM 223 O GLY A 15 9.898 -1.231 -2.349 1.00 0.00 O -ATOM 224 H GLY A 15 7.970 -4.008 0.322 1.00 0.00 H -ATOM 225 HA2 GLY A 15 9.963 -2.879 0.074 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.166 -3.596 -1.527 1.00 0.00 H -ATOM 227 N ARG A 16 7.986 -1.120 -1.164 1.00 0.00 N -ATOM 228 CA ARG A 16 7.493 0.155 -1.712 1.00 0.00 C -ATOM 229 C ARG A 16 6.893 1.052 -0.617 1.00 0.00 C -ATOM 230 O ARG A 16 6.228 0.526 0.276 1.00 0.00 O -ATOM 231 CB ARG A 16 6.486 -0.108 -2.852 1.00 0.00 C -ATOM 232 CG ARG A 16 5.371 -1.121 -2.515 1.00 0.00 C -ATOM 233 CD ARG A 16 4.390 -1.352 -3.682 1.00 0.00 C -ATOM 234 NE ARG A 16 4.505 -2.695 -4.282 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.417 -3.159 -5.117 1.00 0.00 C -ATOM 236 NH1 ARG A 16 6.381 -2.403 -5.595 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.336 -4.410 -5.482 1.00 0.00 N -ATOM 238 H ARG A 16 7.428 -1.572 -0.451 1.00 0.00 H -ATOM 239 HA ARG A 16 8.348 0.677 -2.139 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.022 0.825 -3.109 1.00 0.00 H -ATOM 241 HB3 ARG A 16 7.046 -0.475 -3.709 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.827 -2.059 -2.261 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.805 -0.751 -1.666 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.389 -1.227 -3.316 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.531 -0.590 -4.449 1.00 0.00 H -ATOM 246 HE ARG A 16 3.776 -3.394 -4.104 1.00 0.00 H -ATOM 247 HH11 ARG A 16 6.393 -1.440 -5.320 1.00 0.00 H -ATOM 248 HH12 ARG A 16 7.062 -2.775 -6.231 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.489 -4.903 -5.147 1.00 0.00 H -ATOM 250 HH22 ARG A 16 6.023 -4.858 -6.055 1.00 0.00 H -ATOM 251 N PRO A 17 7.075 2.387 -0.684 1.00 0.00 N -ATOM 252 CA PRO A 17 6.538 3.322 0.308 1.00 0.00 C -ATOM 253 C PRO A 17 5.011 3.481 0.186 1.00 0.00 C -ATOM 254 O PRO A 17 4.452 3.191 -0.874 1.00 0.00 O -ATOM 255 CB PRO A 17 7.258 4.647 0.031 1.00 0.00 C -ATOM 256 CG PRO A 17 7.545 4.595 -1.468 1.00 0.00 C -ATOM 257 CD PRO A 17 7.782 3.109 -1.733 1.00 0.00 C -ATOM 258 HA PRO A 17 6.789 2.972 1.310 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.629 5.482 0.272 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.199 4.671 0.582 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.707 4.957 -2.032 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.418 5.192 -1.732 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.395 2.837 -2.696 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.849 2.890 -1.670 1.00 0.00 H -ATOM 265 N PRO A 18 4.330 3.962 1.245 1.00 0.00 N -ATOM 266 CA PRO A 18 2.890 4.179 1.221 1.00 0.00 C -ATOM 267 C PRO A 18 2.501 5.385 0.341 1.00 0.00 C -ATOM 268 O PRO A 18 3.270 6.342 0.211 1.00 0.00 O -ATOM 269 CB PRO A 18 2.483 4.404 2.680 1.00 0.00 C -ATOM 270 CG PRO A 18 3.743 4.989 3.313 1.00 0.00 C -ATOM 271 CD PRO A 18 4.873 4.294 2.554 1.00 0.00 C -ATOM 272 HA PRO A 18 2.410 3.277 0.849 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.664 5.093 2.748 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.248 3.446 3.144 1.00 0.00 H -ATOM 275 HG2 PRO A 18 3.784 6.052 3.175 1.00 0.00 H -ATOM 276 HG3 PRO A 18 3.788 4.783 4.383 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.715 4.952 2.453 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.153 3.376 3.072 1.00 0.00 H -ATOM 279 N PRO A 19 1.280 5.377 -0.223 1.00 0.00 N -ATOM 280 CA PRO A 19 0.762 6.450 -1.060 1.00 0.00 C -ATOM 281 C PRO A 19 0.382 7.663 -0.198 1.00 0.00 C -ATOM 282 O PRO A 19 -0.624 7.631 0.512 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.435 5.840 -1.790 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.951 4.783 -0.812 1.00 0.00 C -ATOM 285 CD PRO A 19 0.299 4.311 -0.088 1.00 0.00 C -ATOM 286 HA PRO A 19 1.508 6.751 -1.796 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.185 6.582 -1.983 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.088 5.348 -2.699 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.652 5.211 -0.122 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.423 3.952 -1.333 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.083 4.134 0.948 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.683 3.414 -0.572 1.00 0.00 H -ATOM 293 N SER A 20 1.217 8.708 -0.251 1.00 0.00 N -ATOM 294 CA SER A 20 0.998 10.004 0.410 1.00 0.00 C -ATOM 295 C SER A 20 0.315 10.992 -0.534 1.00 0.00 C -ATOM 296 O SER A 20 0.887 11.215 -1.624 1.00 0.00 O -ATOM 297 CB SER A 20 2.322 10.595 0.894 1.00 0.00 C -ATOM 298 OG SER A 20 2.966 9.680 1.760 1.00 0.00 O -ATOM 299 OXT SER A 20 -0.750 11.510 -0.139 1.00 0.00 O -ATOM 300 H SER A 20 1.987 8.656 -0.900 1.00 0.00 H -ATOM 301 HA SER A 20 0.337 9.875 1.267 1.00 0.00 H -ATOM 302 HB2 SER A 20 2.954 10.792 0.050 1.00 0.00 H -ATOM 303 HB3 SER A 20 2.127 11.529 1.425 1.00 0.00 H -ATOM 304 HG SER A 20 3.007 8.832 1.306 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 22 -ATOM 1 N ASN A 1 -7.147 6.420 -0.321 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.735 5.239 -1.002 1.00 0.00 C -ATOM 3 C ASN A 1 -6.654 4.233 -1.423 1.00 0.00 C -ATOM 4 O ASN A 1 -6.828 3.043 -1.189 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.631 5.670 -2.180 1.00 0.00 C -ATOM 6 CG ASN A 1 -7.791 6.178 -3.342 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -6.938 7.030 -3.134 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -7.925 5.610 -4.527 1.00 0.00 N -ATOM 9 H1 ASN A 1 -6.444 6.132 0.344 1.00 0.00 H -ATOM 10 H2 ASN A 1 -6.730 7.032 -1.016 1.00 0.00 H -ATOM 11 H3 ASN A 1 -7.869 6.934 0.166 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.365 4.712 -0.285 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -9.211 4.828 -2.507 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -9.301 6.470 -1.860 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -8.593 4.875 -4.704 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -7.334 5.964 -5.263 1.00 0.00 H -ATOM 17 N LEU A 2 -5.522 4.698 -1.980 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.409 3.863 -2.457 1.00 0.00 C -ATOM 19 C LEU A 2 -3.793 2.972 -1.363 1.00 0.00 C -ATOM 20 O LEU A 2 -3.233 1.920 -1.669 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.326 4.784 -3.046 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.749 5.553 -4.315 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -2.850 6.776 -4.507 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -3.680 4.665 -5.559 1.00 0.00 C -ATOM 25 H LEU A 2 -5.460 5.679 -2.226 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.775 3.199 -3.243 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.054 5.502 -2.296 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.440 4.192 -3.280 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.770 5.913 -4.203 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -2.889 7.409 -3.621 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -1.821 6.467 -4.687 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.206 7.360 -5.357 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.700 4.193 -5.633 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -4.449 3.893 -5.510 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -3.847 5.268 -6.452 1.00 0.00 H -ATOM 36 N TYR A 3 -3.931 3.366 -0.089 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.447 2.623 1.074 1.00 0.00 C -ATOM 38 C TYR A 3 -3.964 1.180 1.109 1.00 0.00 C -ATOM 39 O TYR A 3 -3.229 0.272 1.491 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.837 3.358 2.368 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.695 3.445 3.358 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.319 2.321 4.114 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.990 4.653 3.499 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.242 2.408 5.016 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.914 4.751 4.400 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.539 3.622 5.162 1.00 0.00 C -ATOM 47 OH TYR A 3 0.485 3.702 6.054 1.00 0.00 O -ATOM 48 H TYR A 3 -4.371 4.256 0.070 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.359 2.584 1.015 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.150 4.353 2.117 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.678 2.850 2.844 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -2.858 1.392 4.001 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -2.289 5.504 2.906 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -0.942 1.554 5.604 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.364 5.678 4.516 1.00 0.00 H -ATOM 56 HH TYR A 3 0.190 4.071 6.890 1.00 0.00 H -ATOM 57 N ILE A 4 -5.213 0.963 0.670 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.823 -0.366 0.587 1.00 0.00 C -ATOM 59 C ILE A 4 -5.035 -1.235 -0.401 1.00 0.00 C -ATOM 60 O ILE A 4 -4.639 -2.349 -0.066 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.315 -0.267 0.189 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.131 0.588 1.186 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.906 -1.688 0.098 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.426 1.134 0.567 1.00 0.00 C -ATOM 65 H ILE A 4 -5.742 1.753 0.322 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.754 -0.841 1.568 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.380 0.200 -0.796 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.384 -0.019 2.034 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.554 1.453 1.513 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.613 -2.155 -0.842 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.546 -2.302 0.925 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.995 -1.665 0.139 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -9.186 1.834 -0.233 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -10.035 0.325 0.163 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -10.000 1.657 1.332 1.00 0.00 H -ATOM 76 N GLN A 5 -4.770 -0.707 -1.602 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.004 -1.401 -2.634 1.00 0.00 C -ATOM 78 C GLN A 5 -2.557 -1.659 -2.193 1.00 0.00 C -ATOM 79 O GLN A 5 -2.034 -2.749 -2.416 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.064 -0.600 -3.951 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.101 -1.517 -5.182 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.437 -2.250 -5.294 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -6.433 -1.708 -5.744 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -5.519 -3.495 -4.863 1.00 0.00 N -ATOM 85 H GLN A 5 -5.062 0.244 -1.779 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.475 -2.372 -2.776 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.948 0.009 -3.946 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.195 0.059 -4.019 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -3.954 -0.923 -6.064 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -3.280 -2.234 -5.138 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.727 -3.993 -4.495 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -6.432 -3.902 -4.971 1.00 0.00 H -ATOM 93 N TRP A 6 -1.937 -0.681 -1.518 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.600 -0.811 -0.937 1.00 0.00 C -ATOM 95 C TRP A 6 -0.532 -1.917 0.130 1.00 0.00 C -ATOM 96 O TRP A 6 0.363 -2.764 0.091 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.164 0.545 -0.369 1.00 0.00 C -ATOM 98 CG TRP A 6 1.216 0.547 0.205 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.366 0.594 -0.508 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.619 0.456 1.606 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.444 0.504 0.353 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.043 0.441 1.664 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.931 0.375 2.834 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.753 0.369 2.869 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.631 0.287 4.054 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.038 0.291 4.074 1.00 0.00 C -ATOM 107 H TRP A 6 -2.437 0.199 -1.406 1.00 0.00 H -ATOM 108 HA TRP A 6 0.095 -1.089 -1.730 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.202 1.270 -1.159 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.861 0.845 0.413 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.421 0.666 -1.584 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.427 0.496 0.079 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.148 0.387 2.825 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.834 0.356 2.853 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.088 0.221 4.984 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.566 0.226 5.014 1.00 0.00 H -ATOM 117 N LEU A 7 -1.493 -1.950 1.062 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.591 -3.020 2.054 1.00 0.00 C -ATOM 119 C LEU A 7 -1.887 -4.379 1.416 1.00 0.00 C -ATOM 120 O LEU A 7 -1.332 -5.379 1.867 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.648 -2.680 3.119 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.204 -1.596 4.116 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.353 -1.276 5.075 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.992 -2.019 4.955 1.00 0.00 C -ATOM 125 H LEU A 7 -2.199 -1.215 1.063 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.619 -3.132 2.532 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.533 -2.337 2.619 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.884 -3.585 3.682 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.950 -0.690 3.572 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.247 -1.017 4.508 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.565 -2.140 5.705 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.079 -0.432 5.708 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.200 -2.960 5.466 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.115 -2.141 4.324 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.770 -1.251 5.695 1.00 0.00 H -ATOM 136 N LYS A 8 -2.704 -4.425 0.351 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.024 -5.667 -0.363 1.00 0.00 C -ATOM 138 C LYS A 8 -1.783 -6.379 -0.902 1.00 0.00 C -ATOM 139 O LYS A 8 -1.714 -7.603 -0.824 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.029 -5.384 -1.498 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.718 -6.666 -1.991 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.727 -7.192 -0.954 1.00 0.00 C -ATOM 143 CE LYS A 8 -5.697 -8.722 -0.865 1.00 0.00 C -ATOM 144 NZ LYS A 8 -6.010 -9.184 0.509 1.00 0.00 N -ATOM 145 H LYS A 8 -3.166 -3.563 0.071 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.461 -6.347 0.365 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.778 -4.706 -1.137 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.501 -4.924 -2.335 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.236 -6.455 -2.907 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -3.961 -7.422 -2.206 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.484 -6.782 0.007 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.729 -6.861 -1.233 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -6.422 -9.127 -1.544 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -4.703 -9.081 -1.147 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -5.172 -9.166 1.076 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -6.699 -8.578 0.933 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -6.369 -10.130 0.493 1.00 0.00 H -ATOM 158 N ASP A 9 -0.814 -5.616 -1.411 1.00 0.00 N -ATOM 159 CA ASP A 9 0.466 -6.130 -1.902 1.00 0.00 C -ATOM 160 C ASP A 9 1.395 -6.627 -0.772 1.00 0.00 C -ATOM 161 O ASP A 9 2.377 -7.317 -1.041 1.00 0.00 O -ATOM 162 CB ASP A 9 1.145 -5.018 -2.722 1.00 0.00 C -ATOM 163 CG ASP A 9 2.033 -5.572 -3.840 1.00 0.00 C -ATOM 164 OD1 ASP A 9 3.217 -5.858 -3.563 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.516 -5.670 -4.975 1.00 0.00 O -ATOM 166 H ASP A 9 -0.985 -4.619 -1.475 1.00 0.00 H -ATOM 167 HA ASP A 9 0.267 -6.973 -2.567 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.385 -4.401 -3.160 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.730 -4.377 -2.062 1.00 0.00 H -ATOM 170 N GLY A 10 1.124 -6.267 0.493 1.00 0.00 N -ATOM 171 CA GLY A 10 1.948 -6.626 1.656 1.00 0.00 C -ATOM 172 C GLY A 10 2.533 -5.439 2.437 1.00 0.00 C -ATOM 173 O GLY A 10 3.358 -5.653 3.329 1.00 0.00 O -ATOM 174 H GLY A 10 0.279 -5.730 0.656 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.331 -7.206 2.341 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.781 -7.257 1.345 1.00 0.00 H -ATOM 177 N GLY A 11 2.128 -4.200 2.126 1.00 0.00 N -ATOM 178 CA GLY A 11 2.561 -2.998 2.829 1.00 0.00 C -ATOM 179 C GLY A 11 4.092 -2.817 2.806 1.00 0.00 C -ATOM 180 O GLY A 11 4.667 -2.692 1.724 1.00 0.00 O -ATOM 181 H GLY A 11 1.538 -4.070 1.311 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.108 -2.134 2.348 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.187 -3.048 3.848 1.00 0.00 H -ATOM 184 N PRO A 12 4.785 -2.805 3.967 1.00 0.00 N -ATOM 185 CA PRO A 12 6.246 -2.706 4.011 1.00 0.00 C -ATOM 186 C PRO A 12 6.976 -3.836 3.263 1.00 0.00 C -ATOM 187 O PRO A 12 8.113 -3.645 2.838 1.00 0.00 O -ATOM 188 CB PRO A 12 6.631 -2.710 5.496 1.00 0.00 C -ATOM 189 CG PRO A 12 5.341 -2.359 6.233 1.00 0.00 C -ATOM 190 CD PRO A 12 4.243 -2.888 5.316 1.00 0.00 C -ATOM 191 HA PRO A 12 6.540 -1.751 3.570 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.984 -3.679 5.793 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.415 -1.982 5.705 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.305 -2.841 7.191 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.252 -1.274 6.318 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.007 -3.905 5.563 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.346 -2.281 5.435 1.00 0.00 H -ATOM 198 N SER A 13 6.332 -4.997 3.071 1.00 0.00 N -ATOM 199 CA SER A 13 6.911 -6.174 2.405 1.00 0.00 C -ATOM 200 C SER A 13 6.618 -6.217 0.896 1.00 0.00 C -ATOM 201 O SER A 13 6.579 -7.294 0.305 1.00 0.00 O -ATOM 202 CB SER A 13 6.458 -7.466 3.098 1.00 0.00 C -ATOM 203 OG SER A 13 6.899 -7.491 4.441 1.00 0.00 O -ATOM 204 H SER A 13 5.358 -5.057 3.358 1.00 0.00 H -ATOM 205 HA SER A 13 7.997 -6.129 2.500 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.387 -7.520 3.078 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.893 -8.322 2.581 1.00 0.00 H -ATOM 208 HG SER A 13 6.357 -6.887 4.951 1.00 0.00 H -ATOM 209 N SER A 14 6.432 -5.052 0.265 1.00 0.00 N -ATOM 210 CA SER A 14 6.076 -4.919 -1.157 1.00 0.00 C -ATOM 211 C SER A 14 7.132 -4.174 -1.984 1.00 0.00 C -ATOM 212 O SER A 14 6.929 -3.921 -3.169 1.00 0.00 O -ATOM 213 CB SER A 14 4.715 -4.232 -1.266 1.00 0.00 C -ATOM 214 OG SER A 14 3.775 -4.945 -0.496 1.00 0.00 O -ATOM 215 H SER A 14 6.365 -4.227 0.848 1.00 0.00 H -ATOM 216 HA SER A 14 5.970 -5.909 -1.604 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.790 -3.226 -0.900 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.396 -4.200 -2.306 1.00 0.00 H -ATOM 219 HG SER A 14 3.597 -5.804 -0.924 1.00 0.00 H -ATOM 220 N GLY A 15 8.259 -3.794 -1.363 1.00 0.00 N -ATOM 221 CA GLY A 15 9.337 -3.046 -2.017 1.00 0.00 C -ATOM 222 C GLY A 15 8.945 -1.615 -2.403 1.00 0.00 C -ATOM 223 O GLY A 15 9.471 -1.083 -3.379 1.00 0.00 O -ATOM 224 H GLY A 15 8.370 -4.078 -0.400 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.194 -2.991 -1.346 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.646 -3.574 -2.921 1.00 0.00 H -ATOM 227 N ARG A 16 8.005 -1.001 -1.666 1.00 0.00 N -ATOM 228 CA ARG A 16 7.468 0.335 -1.947 1.00 0.00 C -ATOM 229 C ARG A 16 6.939 1.037 -0.683 1.00 0.00 C -ATOM 230 O ARG A 16 6.297 0.382 0.141 1.00 0.00 O -ATOM 231 CB ARG A 16 6.363 0.241 -3.014 1.00 0.00 C -ATOM 232 CG ARG A 16 5.268 -0.802 -2.713 1.00 0.00 C -ATOM 233 CD ARG A 16 4.161 -0.846 -3.770 1.00 0.00 C -ATOM 234 NE ARG A 16 4.681 -1.237 -5.095 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.016 -0.436 -6.099 1.00 0.00 C -ATOM 236 NH1 ARG A 16 4.910 0.871 -6.014 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.479 -0.936 -7.220 1.00 0.00 N -ATOM 238 H ARG A 16 7.638 -1.499 -0.867 1.00 0.00 H -ATOM 239 HA ARG A 16 8.282 0.927 -2.362 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.895 1.203 -3.097 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.844 -0.019 -3.959 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.727 -1.771 -2.660 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.810 -0.587 -1.750 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.418 -1.558 -3.465 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.662 0.123 -3.814 1.00 0.00 H -ATOM 246 HE ARG A 16 4.831 -2.228 -5.227 1.00 0.00 H -ATOM 247 HH11 ARG A 16 4.571 1.257 -5.151 1.00 0.00 H -ATOM 248 HH12 ARG A 16 5.171 1.470 -6.773 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.580 -1.932 -7.319 1.00 0.00 H -ATOM 250 HH22 ARG A 16 5.740 -0.329 -7.975 1.00 0.00 H -ATOM 251 N PRO A 17 7.146 2.361 -0.541 1.00 0.00 N -ATOM 252 CA PRO A 17 6.642 3.137 0.592 1.00 0.00 C -ATOM 253 C PRO A 17 5.117 3.361 0.511 1.00 0.00 C -ATOM 254 O PRO A 17 4.532 3.158 -0.557 1.00 0.00 O -ATOM 255 CB PRO A 17 7.416 4.460 0.520 1.00 0.00 C -ATOM 256 CG PRO A 17 7.671 4.652 -0.972 1.00 0.00 C -ATOM 257 CD PRO A 17 7.829 3.228 -1.493 1.00 0.00 C -ATOM 258 HA PRO A 17 6.878 2.623 1.524 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.830 5.268 0.915 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.368 4.346 1.042 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.841 5.143 -1.443 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.569 5.244 -1.152 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.382 3.137 -2.464 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.886 2.963 -1.532 1.00 0.00 H -ATOM 265 N PRO A 18 4.468 3.790 1.613 1.00 0.00 N -ATOM 266 CA PRO A 18 3.035 4.076 1.629 1.00 0.00 C -ATOM 267 C PRO A 18 2.678 5.275 0.730 1.00 0.00 C -ATOM 268 O PRO A 18 3.501 6.177 0.557 1.00 0.00 O -ATOM 269 CB PRO A 18 2.681 4.342 3.098 1.00 0.00 C -ATOM 270 CG PRO A 18 3.998 4.812 3.711 1.00 0.00 C -ATOM 271 CD PRO A 18 5.049 4.030 2.928 1.00 0.00 C -ATOM 272 HA PRO A 18 2.502 3.188 1.294 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.929 5.103 3.178 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.369 3.411 3.573 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.128 5.869 3.579 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.048 4.597 4.778 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.952 4.603 2.839 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.240 3.074 3.417 1.00 0.00 H -ATOM 279 N PRO A 19 1.456 5.312 0.158 1.00 0.00 N -ATOM 280 CA PRO A 19 1.020 6.389 -0.730 1.00 0.00 C -ATOM 281 C PRO A 19 0.573 7.658 0.014 1.00 0.00 C -ATOM 282 O PRO A 19 0.781 8.756 -0.501 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.147 5.799 -1.525 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.739 4.750 -0.582 1.00 0.00 C -ATOM 285 CD PRO A 19 0.461 4.252 0.217 1.00 0.00 C -ATOM 286 HA PRO A 19 1.824 6.660 -1.417 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.871 6.555 -1.758 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.235 5.311 -2.422 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.472 5.190 0.066 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.196 3.933 -1.136 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.178 4.064 1.235 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.863 3.356 -0.255 1.00 0.00 H -ATOM 293 N SER A 20 -0.071 7.506 1.180 1.00 0.00 N -ATOM 294 CA SER A 20 -0.495 8.598 2.070 1.00 0.00 C -ATOM 295 C SER A 20 0.609 8.944 3.064 1.00 0.00 C -ATOM 296 O SER A 20 0.894 10.155 3.181 1.00 0.00 O -ATOM 297 CB SER A 20 -1.736 8.215 2.879 1.00 0.00 C -ATOM 298 OG SER A 20 -2.830 7.879 2.044 1.00 0.00 O -ATOM 299 OXT SER A 20 1.084 7.996 3.730 1.00 0.00 O -ATOM 300 H SER A 20 -0.157 6.569 1.538 1.00 0.00 H -ATOM 301 HA SER A 20 -0.699 9.493 1.486 1.00 0.00 H -ATOM 302 HB2 SER A 20 -1.500 7.370 3.497 1.00 0.00 H -ATOM 303 HB3 SER A 20 -2.011 9.052 3.523 1.00 0.00 H -ATOM 304 HG SER A 20 -3.169 8.700 1.678 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 23 -ATOM 1 N ASN A 1 -8.995 5.512 -1.807 1.00 0.00 N -ATOM 2 CA ASN A 1 -8.139 5.500 -0.596 1.00 0.00 C -ATOM 3 C ASN A 1 -6.657 5.213 -0.847 1.00 0.00 C -ATOM 4 O ASN A 1 -5.857 5.704 -0.062 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.684 4.564 0.498 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.123 5.373 1.709 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -10.305 5.507 1.971 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -8.201 5.977 2.436 1.00 0.00 N -ATOM 9 H1 ASN A 1 -8.610 6.132 -2.507 1.00 0.00 H -ATOM 10 H2 ASN A 1 -9.086 4.582 -2.189 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.920 5.841 -1.561 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.157 6.511 -0.184 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -9.524 4.019 0.112 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -7.920 3.855 0.818 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -7.210 5.924 2.252 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -8.568 6.492 3.222 1.00 0.00 H -ATOM 17 N LEU A 2 -6.287 4.419 -1.870 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.918 3.992 -2.233 1.00 0.00 C -ATOM 19 C LEU A 2 -4.198 3.117 -1.189 1.00 0.00 C -ATOM 20 O LEU A 2 -3.649 2.074 -1.544 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.033 5.181 -2.661 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.577 5.992 -3.859 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -5.182 7.328 -3.410 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -3.464 6.283 -4.867 1.00 0.00 C -ATOM 25 H LEU A 2 -6.993 4.011 -2.461 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.014 3.355 -3.115 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.937 5.845 -1.824 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.061 4.766 -2.935 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.348 5.414 -4.371 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -6.031 7.162 -2.754 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -4.432 7.916 -2.879 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -5.517 7.893 -4.282 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.669 6.860 -4.395 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -3.056 5.346 -5.245 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -3.867 6.848 -5.709 1.00 0.00 H -ATOM 36 N TYR A 3 -4.220 3.498 0.091 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.550 2.790 1.185 1.00 0.00 C -ATOM 38 C TYR A 3 -3.980 1.315 1.283 1.00 0.00 C -ATOM 39 O TYR A 3 -3.150 0.440 1.515 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.809 3.544 2.496 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.752 3.301 3.554 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.869 2.215 4.443 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.653 4.178 3.655 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.899 2.018 5.443 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.683 3.985 4.655 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.812 2.911 5.561 1.00 0.00 C -ATOM 47 OH TYR A 3 0.085 2.742 6.568 1.00 0.00 O -ATOM 48 H TYR A 3 -4.660 4.395 0.286 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.478 2.809 0.991 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.840 4.595 2.283 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.790 3.270 2.890 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.710 1.538 4.369 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.555 5.018 2.982 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.977 1.210 6.151 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.149 4.672 4.736 1.00 0.00 H -ATOM 56 HH TYR A 3 0.563 3.552 6.750 1.00 0.00 H -ATOM 57 N ILE A 4 -5.264 1.030 1.024 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.827 -0.326 0.952 1.00 0.00 C -ATOM 59 C ILE A 4 -5.114 -1.151 -0.131 1.00 0.00 C -ATOM 60 O ILE A 4 -4.658 -2.257 0.147 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.356 -0.272 0.705 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.110 0.581 1.757 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.947 -1.695 0.687 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.451 1.106 1.228 1.00 0.00 C -ATOM 65 H ILE A 4 -5.870 1.816 0.855 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.652 -0.820 1.909 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.515 0.178 -0.278 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.294 -0.024 2.624 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.523 1.453 2.040 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.530 -2.276 -0.135 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.726 -2.202 1.628 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.028 -1.659 0.555 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -9.295 1.636 0.288 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -10.147 0.285 1.062 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.883 1.794 1.955 1.00 0.00 H -ATOM 76 N GLN A 5 -4.980 -0.613 -1.354 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.248 -1.254 -2.452 1.00 0.00 C -ATOM 78 C GLN A 5 -2.764 -1.451 -2.115 1.00 0.00 C -ATOM 79 O GLN A 5 -2.210 -2.510 -2.406 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.397 -0.444 -3.752 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.780 -0.585 -4.421 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.677 -1.049 -5.874 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.908 -0.532 -6.667 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -6.453 -2.034 -6.287 1.00 0.00 N -ATOM 85 H GLN A 5 -5.284 0.340 -1.486 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.665 -2.247 -2.623 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.235 0.592 -3.525 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.627 -0.786 -4.446 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -6.358 -1.301 -3.870 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.280 0.383 -4.410 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -7.135 -2.486 -5.703 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -6.309 -2.278 -7.253 1.00 0.00 H -ATOM 93 N TRP A 6 -2.122 -0.471 -1.467 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.752 -0.626 -0.970 1.00 0.00 C -ATOM 95 C TRP A 6 -0.626 -1.773 0.051 1.00 0.00 C -ATOM 96 O TRP A 6 0.275 -2.606 -0.073 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.246 0.708 -0.409 1.00 0.00 C -ATOM 98 CG TRP A 6 1.122 0.638 0.187 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.283 0.580 -0.505 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.498 0.590 1.599 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.337 0.446 0.374 1.00 0.00 N -ATOM 102 CE2 TRP A 6 2.919 0.485 1.681 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.791 0.638 2.820 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.609 0.442 2.898 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.472 0.592 4.050 1.00 0.00 C -ATOM 106 CH2 TRP A 6 2.875 0.504 4.093 1.00 0.00 C -ATOM 107 H TRP A 6 -2.627 0.394 -1.292 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.116 -0.900 -1.810 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.230 1.425 -1.207 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.932 1.060 0.358 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.377 0.619 -1.579 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.319 0.364 0.099 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.286 0.722 2.803 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.686 0.366 2.903 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 0.916 0.637 4.976 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.385 0.485 5.046 1.00 0.00 H -ATOM 117 N LEU A 7 -1.546 -1.866 1.019 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.600 -2.993 1.954 1.00 0.00 C -ATOM 119 C LEU A 7 -1.891 -4.331 1.257 1.00 0.00 C -ATOM 120 O LEU A 7 -1.258 -5.322 1.617 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.629 -2.736 3.069 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.255 -1.624 4.066 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.410 -1.464 5.059 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.975 -1.930 4.852 1.00 0.00 C -ATOM 125 H LEU A 7 -2.238 -1.124 1.101 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.616 -3.103 2.408 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.559 -2.467 2.606 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.758 -3.662 3.632 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.117 -0.684 3.539 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.330 -1.232 4.522 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.546 -2.384 5.627 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.198 -0.653 5.753 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.059 -2.897 5.349 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.117 -1.940 4.182 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.809 -1.154 5.600 1.00 0.00 H -ATOM 136 N LYS A 8 -2.780 -4.375 0.246 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.068 -5.596 -0.534 1.00 0.00 C -ATOM 138 C LYS A 8 -1.816 -6.219 -1.151 1.00 0.00 C -ATOM 139 O LYS A 8 -1.740 -7.439 -1.237 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.081 -5.335 -1.662 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.498 -4.986 -1.175 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.576 -5.917 -1.747 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.443 -7.334 -1.176 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.563 -8.199 -1.611 1.00 0.00 N -ATOM 145 H LYS A 8 -3.304 -3.525 0.051 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.475 -6.350 0.141 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.719 -4.518 -2.256 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -4.124 -6.228 -2.289 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.519 -5.056 -0.105 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.730 -3.973 -1.499 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -7.544 -5.528 -1.496 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.493 -5.943 -2.836 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -5.519 -7.762 -1.515 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.423 -7.269 -0.084 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -8.442 -7.832 -1.266 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.603 -8.242 -2.621 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -7.442 -9.138 -1.253 1.00 0.00 H -ATOM 158 N ASP A 9 -0.849 -5.393 -1.556 1.00 0.00 N -ATOM 159 CA ASP A 9 0.436 -5.853 -2.083 1.00 0.00 C -ATOM 160 C ASP A 9 1.332 -6.506 -1.009 1.00 0.00 C -ATOM 161 O ASP A 9 2.223 -7.275 -1.345 1.00 0.00 O -ATOM 162 CB ASP A 9 1.145 -4.662 -2.744 1.00 0.00 C -ATOM 163 CG ASP A 9 2.097 -5.123 -3.846 1.00 0.00 C -ATOM 164 OD1 ASP A 9 3.259 -5.441 -3.507 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.661 -5.116 -5.015 1.00 0.00 O -ATOM 166 H ASP A 9 -1.027 -4.396 -1.508 1.00 0.00 H -ATOM 167 HA ASP A 9 0.243 -6.603 -2.852 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.408 -4.009 -3.170 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.699 -4.094 -1.991 1.00 0.00 H -ATOM 170 N GLY A 10 1.085 -6.233 0.280 1.00 0.00 N -ATOM 171 CA GLY A 10 1.935 -6.630 1.406 1.00 0.00 C -ATOM 172 C GLY A 10 2.538 -5.448 2.178 1.00 0.00 C -ATOM 173 O GLY A 10 3.381 -5.658 3.052 1.00 0.00 O -ATOM 174 H GLY A 10 0.224 -5.740 0.500 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.338 -7.217 2.103 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.755 -7.257 1.056 1.00 0.00 H -ATOM 177 N GLY A 11 2.139 -4.205 1.865 1.00 0.00 N -ATOM 178 CA GLY A 11 2.660 -3.003 2.510 1.00 0.00 C -ATOM 179 C GLY A 11 4.193 -2.919 2.402 1.00 0.00 C -ATOM 180 O GLY A 11 4.722 -3.051 1.294 1.00 0.00 O -ATOM 181 H GLY A 11 1.481 -4.078 1.104 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.230 -2.129 2.025 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.339 -3.009 3.550 1.00 0.00 H -ATOM 184 N PRO A 12 4.936 -2.732 3.516 1.00 0.00 N -ATOM 185 CA PRO A 12 6.401 -2.697 3.498 1.00 0.00 C -ATOM 186 C PRO A 12 7.057 -3.980 2.962 1.00 0.00 C -ATOM 187 O PRO A 12 8.194 -3.921 2.498 1.00 0.00 O -ATOM 188 CB PRO A 12 6.843 -2.444 4.945 1.00 0.00 C -ATOM 189 CG PRO A 12 5.600 -1.887 5.633 1.00 0.00 C -ATOM 190 CD PRO A 12 4.459 -2.571 4.884 1.00 0.00 C -ATOM 191 HA PRO A 12 6.718 -1.858 2.877 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.157 -3.358 5.411 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.673 -1.736 4.990 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.587 -2.145 6.675 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.548 -0.809 5.478 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.243 -3.527 5.321 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.561 -1.958 4.940 1.00 0.00 H -ATOM 198 N SER A 13 6.364 -5.132 2.996 1.00 0.00 N -ATOM 199 CA SER A 13 6.922 -6.427 2.577 1.00 0.00 C -ATOM 200 C SER A 13 7.348 -6.452 1.106 1.00 0.00 C -ATOM 201 O SER A 13 8.273 -7.185 0.760 1.00 0.00 O -ATOM 202 CB SER A 13 5.902 -7.544 2.812 1.00 0.00 C -ATOM 203 OG SER A 13 6.513 -8.805 2.628 1.00 0.00 O -ATOM 204 H SER A 13 5.404 -5.115 3.326 1.00 0.00 H -ATOM 205 HA SER A 13 7.802 -6.636 3.185 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.525 -7.475 3.814 1.00 0.00 H -ATOM 207 HB3 SER A 13 5.073 -7.436 2.110 1.00 0.00 H -ATOM 208 HG SER A 13 6.978 -8.809 1.779 1.00 0.00 H -ATOM 209 N SER A 14 6.688 -5.663 0.253 1.00 0.00 N -ATOM 210 CA SER A 14 7.033 -5.491 -1.164 1.00 0.00 C -ATOM 211 C SER A 14 8.036 -4.355 -1.407 1.00 0.00 C -ATOM 212 O SER A 14 8.270 -3.979 -2.556 1.00 0.00 O -ATOM 213 CB SER A 14 5.763 -5.217 -1.973 1.00 0.00 C -ATOM 214 OG SER A 14 4.936 -6.345 -2.040 1.00 0.00 O -ATOM 215 H SER A 14 5.903 -5.135 0.612 1.00 0.00 H -ATOM 216 HA SER A 14 7.475 -6.413 -1.545 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.221 -4.416 -1.508 1.00 0.00 H -ATOM 218 HB3 SER A 14 6.026 -4.948 -2.995 1.00 0.00 H -ATOM 219 HG SER A 14 4.164 -6.059 -2.655 1.00 0.00 H -ATOM 220 N GLY A 15 8.590 -3.733 -0.358 1.00 0.00 N -ATOM 221 CA GLY A 15 9.577 -2.650 -0.433 1.00 0.00 C -ATOM 222 C GLY A 15 9.029 -1.291 -0.893 1.00 0.00 C -ATOM 223 O GLY A 15 9.565 -0.255 -0.498 1.00 0.00 O -ATOM 224 H GLY A 15 8.346 -4.054 0.578 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.022 -2.519 0.554 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.370 -2.944 -1.121 1.00 0.00 H -ATOM 227 N ARG A 16 7.961 -1.275 -1.702 1.00 0.00 N -ATOM 228 CA ARG A 16 7.253 -0.068 -2.152 1.00 0.00 C -ATOM 229 C ARG A 16 6.758 0.782 -0.961 1.00 0.00 C -ATOM 230 O ARG A 16 6.062 0.249 -0.094 1.00 0.00 O -ATOM 231 CB ARG A 16 6.114 -0.429 -3.128 1.00 0.00 C -ATOM 232 CG ARG A 16 5.073 -1.437 -2.599 1.00 0.00 C -ATOM 233 CD ARG A 16 4.058 -1.882 -3.667 1.00 0.00 C -ATOM 234 NE ARG A 16 2.925 -0.944 -3.816 1.00 0.00 N -ATOM 235 CZ ARG A 16 2.827 0.118 -4.610 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.797 0.480 -5.418 1.00 0.00 N -ATOM 237 NH2 ARG A 16 1.736 0.848 -4.603 1.00 0.00 N -ATOM 238 H ARG A 16 7.673 -2.184 -2.046 1.00 0.00 H -ATOM 239 HA ARG A 16 7.981 0.515 -2.712 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.597 0.477 -3.381 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.567 -0.849 -4.028 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.592 -2.305 -2.239 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.537 -1.022 -1.749 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.565 -1.958 -4.610 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.649 -2.842 -3.350 1.00 0.00 H -ATOM 246 HE ARG A 16 2.106 -1.187 -3.286 1.00 0.00 H -ATOM 247 HH11 ARG A 16 4.617 -0.096 -5.446 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.713 1.284 -6.011 1.00 0.00 H -ATOM 249 HH21 ARG A 16 0.947 0.584 -4.042 1.00 0.00 H -ATOM 250 HH22 ARG A 16 1.678 1.660 -5.191 1.00 0.00 H -ATOM 251 N PRO A 17 7.067 2.094 -0.905 1.00 0.00 N -ATOM 252 CA PRO A 17 6.620 2.967 0.182 1.00 0.00 C -ATOM 253 C PRO A 17 5.099 3.227 0.122 1.00 0.00 C -ATOM 254 O PRO A 17 4.486 3.009 -0.928 1.00 0.00 O -ATOM 255 CB PRO A 17 7.427 4.260 0.005 1.00 0.00 C -ATOM 256 CG PRO A 17 7.667 4.322 -1.501 1.00 0.00 C -ATOM 257 CD PRO A 17 7.835 2.854 -1.882 1.00 0.00 C -ATOM 258 HA PRO A 17 6.870 2.512 1.140 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.867 5.112 0.340 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.385 4.162 0.519 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.828 4.758 -2.008 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.552 4.908 -1.749 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.456 2.680 -2.871 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.888 2.571 -1.812 1.00 0.00 H -ATOM 265 N PRO A 18 4.480 3.698 1.223 1.00 0.00 N -ATOM 266 CA PRO A 18 3.051 4.007 1.257 1.00 0.00 C -ATOM 267 C PRO A 18 2.699 5.236 0.396 1.00 0.00 C -ATOM 268 O PRO A 18 3.570 6.059 0.111 1.00 0.00 O -ATOM 269 CB PRO A 18 2.722 4.232 2.738 1.00 0.00 C -ATOM 270 CG PRO A 18 4.041 4.721 3.329 1.00 0.00 C -ATOM 271 CD PRO A 18 5.086 3.950 2.524 1.00 0.00 C -ATOM 272 HA PRO A 18 2.496 3.146 0.892 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.954 4.972 2.852 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.449 3.284 3.200 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.155 5.779 3.195 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.113 4.505 4.395 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.979 4.535 2.413 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.300 2.999 3.013 1.00 0.00 H -ATOM 279 N PRO A 19 1.420 5.393 -0.004 1.00 0.00 N -ATOM 280 CA PRO A 19 0.957 6.533 -0.802 1.00 0.00 C -ATOM 281 C PRO A 19 0.749 7.823 0.014 1.00 0.00 C -ATOM 282 O PRO A 19 0.677 8.899 -0.575 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.367 6.064 -1.415 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.913 5.086 -0.375 1.00 0.00 C -ATOM 285 CD PRO A 19 0.348 4.422 0.169 1.00 0.00 C -ATOM 286 HA PRO A 19 1.669 6.748 -1.599 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.038 6.889 -1.556 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.164 5.530 -2.346 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.441 5.605 0.402 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.584 4.357 -0.825 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.225 4.183 1.208 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.576 3.535 -0.421 1.00 0.00 H -ATOM 293 N SER A 20 0.622 7.704 1.342 1.00 0.00 N -ATOM 294 CA SER A 20 0.537 8.783 2.335 1.00 0.00 C -ATOM 295 C SER A 20 1.931 9.218 2.798 1.00 0.00 C -ATOM 296 O SER A 20 2.563 8.335 3.437 1.00 0.00 O -ATOM 297 CB SER A 20 -0.247 8.262 3.545 1.00 0.00 C -ATOM 298 OG SER A 20 0.531 7.207 4.069 1.00 0.00 O -ATOM 299 OXT SER A 20 2.277 10.398 2.599 1.00 0.00 O -ATOM 300 H SER A 20 0.701 6.779 1.733 1.00 0.00 H -ATOM 301 HA SER A 20 0.039 9.654 1.908 1.00 0.00 H -ATOM 302 HB2 SER A 20 -0.369 9.038 4.276 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.237 7.911 3.252 1.00 0.00 H -ATOM 304 HG SER A 20 1.480 7.561 3.895 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 24 -ATOM 1 N ASN A 1 -6.292 7.385 1.128 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.232 6.863 0.107 1.00 0.00 C -ATOM 3 C ASN A 1 -6.739 5.538 -0.485 1.00 0.00 C -ATOM 4 O ASN A 1 -7.431 4.543 -0.336 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.545 7.923 -0.975 1.00 0.00 C -ATOM 6 CG ASN A 1 -6.313 8.297 -1.796 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -5.208 8.306 -1.270 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -6.440 8.526 -3.087 1.00 0.00 N -ATOM 9 H1 ASN A 1 -6.040 6.659 1.782 1.00 0.00 H -ATOM 10 H2 ASN A 1 -5.460 7.735 0.662 1.00 0.00 H -ATOM 11 H3 ASN A 1 -6.719 8.150 1.634 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.173 6.624 0.607 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.294 7.530 -1.636 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -7.929 8.825 -0.499 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -7.324 8.491 -3.570 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -5.584 8.752 -3.571 1.00 0.00 H -ATOM 17 N LEU A 2 -5.556 5.496 -1.115 1.00 0.00 N -ATOM 18 CA LEU A 2 -5.032 4.330 -1.843 1.00 0.00 C -ATOM 19 C LEU A 2 -4.313 3.290 -0.955 1.00 0.00 C -ATOM 20 O LEU A 2 -3.853 2.259 -1.446 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.138 4.841 -3.003 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.722 4.651 -4.418 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.894 3.173 -4.766 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -6.050 5.386 -4.636 1.00 0.00 C -ATOM 25 H LEU A 2 -5.044 6.368 -1.237 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.880 3.796 -2.268 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.967 5.890 -2.853 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.179 4.327 -2.975 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.002 5.061 -5.126 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -3.966 2.642 -4.555 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -5.713 2.736 -4.196 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -5.117 3.069 -5.827 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -6.733 5.221 -3.804 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -5.855 6.450 -4.745 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -6.526 5.028 -5.550 1.00 0.00 H -ATOM 36 N TYR A 3 -4.243 3.530 0.360 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.536 2.698 1.337 1.00 0.00 C -ATOM 38 C TYR A 3 -3.999 1.230 1.340 1.00 0.00 C -ATOM 39 O TYR A 3 -3.180 0.335 1.524 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.688 3.329 2.730 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.527 3.057 3.667 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.504 1.888 4.455 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.478 3.993 3.769 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.449 1.665 5.360 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.422 3.773 4.671 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.410 2.617 5.478 1.00 0.00 C -ATOM 47 OH TYR A 3 0.592 2.435 6.380 1.00 0.00 O -ATOM 48 H TYR A 3 -4.647 4.393 0.678 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.476 2.708 1.078 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.781 4.391 2.610 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.613 2.981 3.190 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.302 1.165 4.368 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.485 4.893 3.169 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.435 0.773 5.967 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.377 4.493 4.774 1.00 0.00 H -ATOM 56 HH TYR A 3 0.371 1.780 7.044 1.00 0.00 H -ATOM 57 N ILE A 4 -5.291 0.971 1.083 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.855 -0.385 0.970 1.00 0.00 C -ATOM 59 C ILE A 4 -5.185 -1.167 -0.172 1.00 0.00 C -ATOM 60 O ILE A 4 -4.825 -2.331 0.000 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.390 -0.331 0.775 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.107 0.494 1.877 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.991 -1.748 0.746 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.694 1.795 1.319 1.00 0.00 C -ATOM 65 H ILE A 4 -5.903 1.762 0.942 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.647 -0.919 1.898 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.594 0.123 -0.197 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.901 -0.096 2.292 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.417 0.733 2.687 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.583 -2.322 -0.085 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.771 -2.267 1.681 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.072 -1.688 0.616 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.897 2.395 0.886 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.436 1.569 0.553 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.171 2.357 2.121 1.00 0.00 H -ATOM 76 N GLN A 5 -4.990 -0.524 -1.331 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.287 -1.099 -2.478 1.00 0.00 C -ATOM 78 C GLN A 5 -2.828 -1.408 -2.125 1.00 0.00 C -ATOM 79 O GLN A 5 -2.375 -2.526 -2.353 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.383 -0.141 -3.683 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.134 -0.729 -4.885 1.00 0.00 C -ATOM 82 CD GLN A 5 -6.640 -0.793 -4.645 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -7.380 0.135 -4.919 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -7.150 -1.887 -4.116 1.00 0.00 N -ATOM 85 H GLN A 5 -5.215 0.461 -1.367 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.756 -2.048 -2.731 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.893 0.749 -3.368 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.380 0.134 -4.013 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -4.946 -0.115 -5.745 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -4.744 -1.721 -5.116 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -6.566 -2.656 -3.852 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -8.148 -1.839 -3.996 1.00 0.00 H -ATOM 93 N TRP A 6 -2.121 -0.454 -1.511 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.744 -0.663 -1.057 1.00 0.00 C -ATOM 95 C TRP A 6 -0.613 -1.790 -0.020 1.00 0.00 C -ATOM 96 O TRP A 6 0.331 -2.579 -0.067 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.201 0.655 -0.509 1.00 0.00 C -ATOM 98 CG TRP A 6 1.191 0.564 0.027 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.317 0.549 -0.722 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.627 0.427 1.415 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.412 0.401 0.105 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.049 0.343 1.428 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.972 0.368 2.666 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.794 0.234 2.609 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.709 0.249 3.860 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.114 0.197 3.837 1.00 0.00 C -ATOM 107 H TRP A 6 -2.569 0.443 -1.359 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.136 -0.952 -1.917 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.211 1.379 -1.301 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.855 1.013 0.287 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.345 0.630 -1.800 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.387 0.366 -0.203 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.106 0.426 2.698 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.873 0.181 2.560 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.192 0.211 4.808 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.670 0.129 4.761 1.00 0.00 H -ATOM 117 N LEU A 7 -1.578 -1.920 0.901 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.631 -3.070 1.801 1.00 0.00 C -ATOM 119 C LEU A 7 -1.843 -4.394 1.050 1.00 0.00 C -ATOM 120 O LEU A 7 -1.191 -5.372 1.418 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.686 -2.859 2.899 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.268 -1.863 4.000 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.426 -1.718 4.994 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.023 -2.315 4.775 1.00 0.00 C -ATOM 125 H LEU A 7 -2.292 -1.197 0.964 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.656 -3.165 2.275 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.583 -2.492 2.437 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.886 -3.821 3.373 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.065 -0.889 3.560 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.316 -1.368 4.472 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.638 -2.679 5.461 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.167 -0.998 5.769 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.138 -3.351 5.097 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.138 -2.227 4.147 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.876 -1.684 5.651 1.00 0.00 H -ATOM 136 N LYS A 8 -2.657 -4.444 -0.024 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.775 -5.659 -0.860 1.00 0.00 C -ATOM 138 C LYS A 8 -1.440 -6.118 -1.450 1.00 0.00 C -ATOM 139 O LYS A 8 -1.240 -7.322 -1.591 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.774 -5.527 -2.021 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.249 -5.395 -1.620 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.167 -6.088 -2.648 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.424 -5.268 -2.953 1.00 0.00 C -ATOM 144 NZ LYS A 8 -8.590 -6.134 -3.235 1.00 0.00 N -ATOM 145 H LYS A 8 -3.174 -3.604 -0.275 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.108 -6.475 -0.218 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.507 -4.656 -2.587 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.662 -6.434 -2.619 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.393 -5.849 -0.659 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.497 -4.337 -1.541 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.619 -6.230 -3.559 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.435 -7.067 -2.249 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.648 -4.648 -2.106 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.213 -4.642 -3.824 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -8.371 -6.792 -3.971 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -8.842 -6.653 -2.403 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -9.385 -5.577 -3.521 1.00 0.00 H -ATOM 158 N ASP A 9 -0.520 -5.196 -1.760 1.00 0.00 N -ATOM 159 CA ASP A 9 0.824 -5.550 -2.228 1.00 0.00 C -ATOM 160 C ASP A 9 1.682 -6.246 -1.149 1.00 0.00 C -ATOM 161 O ASP A 9 2.738 -6.791 -1.479 1.00 0.00 O -ATOM 162 CB ASP A 9 1.569 -4.302 -2.729 1.00 0.00 C -ATOM 163 CG ASP A 9 0.926 -3.620 -3.934 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.770 -4.314 -4.963 1.00 0.00 O -ATOM 165 OD2 ASP A 9 0.694 -2.393 -3.841 1.00 0.00 O -ATOM 166 H ASP A 9 -0.774 -4.217 -1.668 1.00 0.00 H -ATOM 167 HA ASP A 9 0.732 -6.246 -3.065 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.611 -3.592 -1.925 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.563 -4.606 -3.037 1.00 0.00 H -ATOM 170 N GLY A 10 1.266 -6.215 0.128 1.00 0.00 N -ATOM 171 CA GLY A 10 2.015 -6.734 1.274 1.00 0.00 C -ATOM 172 C GLY A 10 2.595 -5.646 2.186 1.00 0.00 C -ATOM 173 O GLY A 10 3.441 -5.959 3.033 1.00 0.00 O -ATOM 174 H GLY A 10 0.348 -5.819 0.317 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.343 -7.348 1.874 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.832 -7.371 0.933 1.00 0.00 H -ATOM 177 N GLY A 11 2.188 -4.378 2.015 1.00 0.00 N -ATOM 178 CA GLY A 11 2.682 -3.258 2.815 1.00 0.00 C -ATOM 179 C GLY A 11 4.216 -3.151 2.773 1.00 0.00 C -ATOM 180 O GLY A 11 4.797 -3.293 1.691 1.00 0.00 O -ATOM 181 H GLY A 11 1.532 -4.174 1.270 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.262 -2.332 2.425 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.330 -3.391 3.837 1.00 0.00 H -ATOM 184 N PRO A 12 4.904 -2.935 3.918 1.00 0.00 N -ATOM 185 CA PRO A 12 6.365 -2.823 3.965 1.00 0.00 C -ATOM 186 C PRO A 12 7.102 -4.015 3.335 1.00 0.00 C -ATOM 187 O PRO A 12 8.165 -3.833 2.746 1.00 0.00 O -ATOM 188 CB PRO A 12 6.736 -2.681 5.447 1.00 0.00 C -ATOM 189 CG PRO A 12 5.452 -2.189 6.112 1.00 0.00 C -ATOM 190 CD PRO A 12 4.353 -2.826 5.263 1.00 0.00 C -ATOM 191 HA PRO A 12 6.658 -1.915 3.438 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.038 -3.626 5.856 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.554 -1.973 5.589 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.394 -2.523 7.130 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.394 -1.103 6.036 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.102 -3.797 5.644 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.456 -2.209 5.293 1.00 0.00 H -ATOM 198 N SER A 13 6.528 -5.228 3.414 1.00 0.00 N -ATOM 199 CA SER A 13 7.138 -6.446 2.859 1.00 0.00 C -ATOM 200 C SER A 13 7.295 -6.407 1.333 1.00 0.00 C -ATOM 201 O SER A 13 8.174 -7.073 0.792 1.00 0.00 O -ATOM 202 CB SER A 13 6.348 -7.692 3.277 1.00 0.00 C -ATOM 203 OG SER A 13 5.118 -7.809 2.592 1.00 0.00 O -ATOM 204 H SER A 13 5.614 -5.292 3.842 1.00 0.00 H -ATOM 205 HA SER A 13 8.138 -6.537 3.280 1.00 0.00 H -ATOM 206 HB2 SER A 13 6.942 -8.561 3.069 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.165 -7.667 4.352 1.00 0.00 H -ATOM 208 HG SER A 13 4.500 -7.079 2.847 1.00 0.00 H -ATOM 209 N SER A 14 6.489 -5.586 0.645 1.00 0.00 N -ATOM 210 CA SER A 14 6.548 -5.376 -0.801 1.00 0.00 C -ATOM 211 C SER A 14 7.615 -4.354 -1.227 1.00 0.00 C -ATOM 212 O SER A 14 7.779 -4.098 -2.420 1.00 0.00 O -ATOM 213 CB SER A 14 5.172 -4.906 -1.282 1.00 0.00 C -ATOM 214 OG SER A 14 4.768 -5.648 -2.411 1.00 0.00 O -ATOM 215 H SER A 14 5.813 -5.042 1.173 1.00 0.00 H -ATOM 216 HA SER A 14 6.781 -6.328 -1.284 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.456 -5.042 -0.494 1.00 0.00 H -ATOM 218 HB3 SER A 14 5.202 -3.849 -1.527 1.00 0.00 H -ATOM 219 HG SER A 14 4.004 -6.211 -2.103 1.00 0.00 H -ATOM 220 N GLY A 15 8.309 -3.713 -0.277 1.00 0.00 N -ATOM 221 CA GLY A 15 9.390 -2.752 -0.512 1.00 0.00 C -ATOM 222 C GLY A 15 8.950 -1.376 -1.041 1.00 0.00 C -ATOM 223 O GLY A 15 9.569 -0.373 -0.689 1.00 0.00 O -ATOM 224 H GLY A 15 8.111 -3.947 0.692 1.00 0.00 H -ATOM 225 HA2 GLY A 15 9.920 -2.595 0.428 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.093 -3.179 -1.226 1.00 0.00 H -ATOM 227 N ARG A 16 7.896 -1.304 -1.867 1.00 0.00 N -ATOM 228 CA ARG A 16 7.317 -0.041 -2.355 1.00 0.00 C -ATOM 229 C ARG A 16 6.801 0.839 -1.194 1.00 0.00 C -ATOM 230 O ARG A 16 6.157 0.315 -0.283 1.00 0.00 O -ATOM 231 CB ARG A 16 6.215 -0.292 -3.405 1.00 0.00 C -ATOM 232 CG ARG A 16 5.119 -1.280 -2.965 1.00 0.00 C -ATOM 233 CD ARG A 16 3.913 -1.309 -3.915 1.00 0.00 C -ATOM 234 NE ARG A 16 4.266 -1.765 -5.273 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.470 -3.012 -5.684 1.00 0.00 C -ATOM 236 NH1 ARG A 16 4.434 -4.046 -4.877 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.742 -3.246 -6.946 1.00 0.00 N -ATOM 238 H ARG A 16 7.511 -2.196 -2.163 1.00 0.00 H -ATOM 239 HA ARG A 16 8.125 0.496 -2.848 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.747 0.647 -3.630 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.683 -0.678 -4.311 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.544 -2.264 -2.923 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.753 -1.013 -1.976 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.174 -1.974 -3.511 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.485 -0.307 -3.974 1.00 0.00 H -ATOM 246 HE ARG A 16 4.286 -1.055 -5.983 1.00 0.00 H -ATOM 247 HH11 ARG A 16 4.241 -3.927 -3.896 1.00 0.00 H -ATOM 248 HH12 ARG A 16 4.571 -4.985 -5.203 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.784 -2.494 -7.608 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.878 -4.192 -7.246 1.00 0.00 H -ATOM 251 N PRO A 17 7.021 2.169 -1.222 1.00 0.00 N -ATOM 252 CA PRO A 17 6.564 3.076 -0.168 1.00 0.00 C -ATOM 253 C PRO A 17 5.035 3.273 -0.193 1.00 0.00 C -ATOM 254 O PRO A 17 4.408 3.044 -1.232 1.00 0.00 O -ATOM 255 CB PRO A 17 7.304 4.392 -0.436 1.00 0.00 C -ATOM 256 CG PRO A 17 7.488 4.390 -1.951 1.00 0.00 C -ATOM 257 CD PRO A 17 7.717 2.912 -2.265 1.00 0.00 C -ATOM 258 HA PRO A 17 6.863 2.681 0.803 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.718 5.234 -0.121 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.279 4.364 0.050 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.611 4.759 -2.447 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.336 5.002 -2.259 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.314 2.668 -3.229 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.783 2.685 -2.219 1.00 0.00 H -ATOM 265 N PRO A 18 4.420 3.714 0.924 1.00 0.00 N -ATOM 266 CA PRO A 18 2.979 3.943 0.997 1.00 0.00 C -ATOM 267 C PRO A 18 2.541 5.167 0.167 1.00 0.00 C -ATOM 268 O PRO A 18 3.300 6.129 0.038 1.00 0.00 O -ATOM 269 CB PRO A 18 2.670 4.129 2.486 1.00 0.00 C -ATOM 270 CG PRO A 18 3.976 4.683 3.053 1.00 0.00 C -ATOM 271 CD PRO A 18 5.042 3.977 2.213 1.00 0.00 C -ATOM 272 HA PRO A 18 2.469 3.052 0.638 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.865 4.824 2.627 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.459 3.159 2.939 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.030 5.747 2.929 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.085 4.459 4.114 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.901 4.608 2.092 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.310 3.030 2.683 1.00 0.00 H -ATOM 279 N PRO A 19 1.305 5.165 -0.369 1.00 0.00 N -ATOM 280 CA PRO A 19 0.753 6.266 -1.151 1.00 0.00 C -ATOM 281 C PRO A 19 0.318 7.409 -0.226 1.00 0.00 C -ATOM 282 O PRO A 19 -0.451 7.189 0.714 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.432 5.656 -1.908 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.932 4.559 -0.967 1.00 0.00 C -ATOM 285 CD PRO A 19 0.347 4.074 -0.285 1.00 0.00 C -ATOM 286 HA PRO A 19 1.493 6.630 -1.865 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.195 6.390 -2.081 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.073 5.200 -2.833 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.625 4.954 -0.249 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.416 3.748 -1.510 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.150 3.833 0.742 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.754 3.228 -0.832 1.00 0.00 H -ATOM 293 N SER A 20 0.793 8.629 -0.503 1.00 0.00 N -ATOM 294 CA SER A 20 0.416 9.847 0.221 1.00 0.00 C -ATOM 295 C SER A 20 0.407 11.090 -0.662 1.00 0.00 C -ATOM 296 O SER A 20 0.891 11.013 -1.811 1.00 0.00 O -ATOM 297 CB SER A 20 1.359 10.094 1.397 1.00 0.00 C -ATOM 298 OG SER A 20 0.787 11.196 2.067 1.00 0.00 O -ATOM 299 OXT SER A 20 -0.035 12.112 -0.078 1.00 0.00 O -ATOM 300 H SER A 20 1.371 8.782 -1.320 1.00 0.00 H -ATOM 301 HA SER A 20 -0.594 9.730 0.608 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.400 9.236 2.040 1.00 0.00 H -ATOM 303 HB3 SER A 20 2.353 10.357 1.025 1.00 0.00 H -ATOM 304 HG SER A 20 0.387 11.733 1.311 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 25 -ATOM 1 N ASN A 1 -8.822 3.713 -1.688 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.636 4.584 -1.839 1.00 0.00 C -ATOM 3 C ASN A 1 -6.387 3.720 -2.050 1.00 0.00 C -ATOM 4 O ASN A 1 -6.449 2.520 -1.793 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.493 5.546 -0.643 1.00 0.00 C -ATOM 6 CG ASN A 1 -6.684 6.775 -1.045 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -5.471 6.716 -1.147 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -7.325 7.882 -1.371 1.00 0.00 N -ATOM 9 H1 ASN A 1 -8.903 3.106 -2.494 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.709 3.131 -0.870 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.662 4.268 -1.598 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.770 5.186 -2.739 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.468 5.855 -0.319 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -6.990 5.041 0.185 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -8.323 8.004 -1.308 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -6.719 8.647 -1.627 1.00 0.00 H -ATOM 17 N LEU A 2 -5.276 4.311 -2.504 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.020 3.626 -2.831 1.00 0.00 C -ATOM 19 C LEU A 2 -3.471 2.838 -1.629 1.00 0.00 C -ATOM 20 O LEU A 2 -2.958 1.734 -1.800 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.012 4.674 -3.361 1.00 0.00 C -ATOM 22 CG LEU A 2 -2.196 4.219 -4.592 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -1.533 5.435 -5.247 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -1.091 3.204 -4.289 1.00 0.00 C -ATOM 25 H LEU A 2 -5.249 5.328 -2.518 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.228 2.905 -3.623 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.558 5.557 -3.630 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.343 4.981 -2.561 1.00 0.00 H -ATOM 29 HG LEU A 2 -2.881 3.777 -5.315 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -2.296 6.145 -5.570 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -0.864 5.929 -4.541 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -0.962 5.119 -6.121 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -0.285 3.677 -3.730 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -1.483 2.363 -3.723 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -0.681 2.826 -5.224 1.00 0.00 H -ATOM 36 N TYR A 3 -3.666 3.358 -0.409 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.284 2.708 0.847 1.00 0.00 C -ATOM 38 C TYR A 3 -3.873 1.292 1.002 1.00 0.00 C -ATOM 39 O TYR A 3 -3.194 0.398 1.503 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.690 3.607 2.030 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.649 3.669 3.132 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.390 2.535 3.927 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.934 4.863 3.357 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.425 2.597 4.950 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.980 4.936 4.389 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.731 3.802 5.194 1.00 0.00 C -ATOM 47 OH TYR A 3 0.150 3.872 6.227 1.00 0.00 O -ATOM 48 H TYR A 3 -4.047 4.292 -0.362 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.198 2.613 0.856 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.852 4.601 1.660 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.632 3.256 2.454 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -2.935 1.619 3.761 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -2.110 5.742 2.747 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.221 1.739 5.572 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.449 5.867 4.548 1.00 0.00 H -ATOM 56 HH TYR A 3 0.326 4.786 6.461 1.00 0.00 H -ATOM 57 N ILE A 4 -5.115 1.071 0.535 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.776 -0.242 0.562 1.00 0.00 C -ATOM 59 C ILE A 4 -5.002 -1.217 -0.330 1.00 0.00 C -ATOM 60 O ILE A 4 -4.614 -2.289 0.122 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.263 -0.143 0.130 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.048 0.841 1.030 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.919 -1.539 0.153 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.483 1.110 0.557 1.00 0.00 C -ATOM 65 H ILE A 4 -5.572 1.829 0.046 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.741 -0.629 1.581 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.305 0.225 -0.896 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.090 0.432 2.021 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.535 1.802 1.049 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.419 -2.213 -0.543 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.865 -1.964 1.157 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.963 -1.481 -0.153 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -9.492 1.320 -0.512 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -10.118 0.247 0.759 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.887 1.968 1.096 1.00 0.00 H -ATOM 76 N GLN A 5 -4.757 -0.824 -1.585 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.017 -1.607 -2.576 1.00 0.00 C -ATOM 78 C GLN A 5 -2.587 -1.900 -2.083 1.00 0.00 C -ATOM 79 O GLN A 5 -2.148 -3.047 -2.102 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.057 -0.847 -3.919 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.071 -1.760 -5.155 1.00 0.00 C -ATOM 82 CD GLN A 5 -2.773 -2.524 -5.382 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -2.723 -3.734 -5.250 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -1.697 -1.854 -5.752 1.00 0.00 N -ATOM 85 H GLN A 5 -5.059 0.104 -1.844 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.528 -2.564 -2.697 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.942 -0.241 -3.937 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.227 -0.144 -3.981 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -4.865 -2.472 -5.038 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -4.268 -1.149 -6.038 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -1.694 -0.862 -5.911 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -0.889 -2.443 -5.884 1.00 0.00 H -ATOM 93 N TRP A 6 -1.898 -0.878 -1.557 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.578 -0.992 -0.936 1.00 0.00 C -ATOM 95 C TRP A 6 -0.552 -2.023 0.205 1.00 0.00 C -ATOM 96 O TRP A 6 0.292 -2.918 0.198 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.127 0.397 -0.466 1.00 0.00 C -ATOM 98 CG TRP A 6 1.249 0.448 0.122 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.402 0.437 -0.587 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.644 0.501 1.528 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.474 0.460 0.282 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.068 0.490 1.594 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.952 0.549 2.757 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.775 0.513 2.805 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.647 0.567 3.982 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.054 0.548 4.010 1.00 0.00 C -ATOM 107 H TRP A 6 -2.335 0.042 -1.580 1.00 0.00 H -ATOM 108 HA TRP A 6 0.127 -1.341 -1.691 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.154 1.059 -1.310 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.830 0.770 0.277 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.467 0.400 -1.665 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.459 0.466 0.011 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.127 0.579 2.747 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.854 0.502 2.796 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.097 0.607 4.913 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.578 0.569 4.955 1.00 0.00 H -ATOM 117 N LEU A 7 -1.488 -1.942 1.163 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.617 -2.951 2.219 1.00 0.00 C -ATOM 119 C LEU A 7 -1.966 -4.341 1.668 1.00 0.00 C -ATOM 120 O LEU A 7 -1.376 -5.320 2.123 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.642 -2.514 3.280 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.149 -1.401 4.223 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.284 -0.995 5.164 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.953 -1.839 5.080 1.00 0.00 C -ATOM 125 H LEU A 7 -2.154 -1.170 1.141 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.644 -3.065 2.695 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.519 -2.160 2.773 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.902 -3.381 3.888 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.860 -0.531 3.640 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.142 -0.659 4.582 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.579 -1.842 5.783 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.959 -0.178 5.809 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.180 -2.772 5.594 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.070 -1.975 4.456 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.724 -1.071 5.819 1.00 0.00 H -ATOM 136 N LYS A 8 -2.866 -4.444 0.675 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.232 -5.709 0.014 1.00 0.00 C -ATOM 138 C LYS A 8 -1.995 -6.419 -0.554 1.00 0.00 C -ATOM 139 O LYS A 8 -1.851 -7.626 -0.374 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.313 -5.443 -1.057 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.232 -6.637 -1.368 1.00 0.00 C -ATOM 142 CD LYS A 8 -4.597 -7.726 -2.241 1.00 0.00 C -ATOM 143 CE LYS A 8 -5.626 -8.816 -2.553 1.00 0.00 C -ATOM 144 NZ LYS A 8 -4.979 -9.985 -3.192 1.00 0.00 N -ATOM 145 H LYS A 8 -3.334 -3.588 0.376 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.648 -6.368 0.776 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.926 -4.632 -0.716 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.853 -5.080 -1.976 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.526 -7.084 -0.438 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -6.106 -6.251 -1.896 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -4.253 -7.289 -3.159 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -3.770 -8.185 -1.708 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -6.094 -9.129 -1.640 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.396 -8.398 -3.207 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -4.519 -9.702 -4.048 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -4.281 -10.374 -2.570 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -5.664 -10.700 -3.404 1.00 0.00 H -ATOM 158 N ASP A 9 -1.077 -5.668 -1.169 1.00 0.00 N -ATOM 159 CA ASP A 9 0.212 -6.164 -1.668 1.00 0.00 C -ATOM 160 C ASP A 9 1.207 -6.590 -0.560 1.00 0.00 C -ATOM 161 O ASP A 9 2.261 -7.145 -0.857 1.00 0.00 O -ATOM 162 CB ASP A 9 0.834 -5.084 -2.569 1.00 0.00 C -ATOM 163 CG ASP A 9 1.509 -5.695 -3.797 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.788 -5.935 -4.790 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.746 -5.888 -3.742 1.00 0.00 O -ATOM 166 H ASP A 9 -1.310 -4.691 -1.337 1.00 0.00 H -ATOM 167 HA ASP A 9 0.016 -7.046 -2.280 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.061 -4.414 -2.894 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.556 -4.497 -1.999 1.00 0.00 H -ATOM 170 N GLY A 10 0.892 -6.349 0.722 1.00 0.00 N -ATOM 171 CA GLY A 10 1.749 -6.664 1.870 1.00 0.00 C -ATOM 172 C GLY A 10 2.432 -5.442 2.495 1.00 0.00 C -ATOM 173 O GLY A 10 3.341 -5.612 3.316 1.00 0.00 O -ATOM 174 H GLY A 10 -0.020 -5.949 0.925 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.134 -7.131 2.639 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.517 -7.381 1.579 1.00 0.00 H -ATOM 177 N GLY A 11 2.030 -4.224 2.106 1.00 0.00 N -ATOM 178 CA GLY A 11 2.562 -2.956 2.594 1.00 0.00 C -ATOM 179 C GLY A 11 4.077 -2.849 2.377 1.00 0.00 C -ATOM 180 O GLY A 11 4.519 -2.945 1.227 1.00 0.00 O -ATOM 181 H GLY A 11 1.324 -4.158 1.376 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.087 -2.147 2.042 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.297 -2.847 3.642 1.00 0.00 H -ATOM 184 N PRO A 12 4.898 -2.704 3.442 1.00 0.00 N -ATOM 185 CA PRO A 12 6.359 -2.670 3.324 1.00 0.00 C -ATOM 186 C PRO A 12 6.945 -3.880 2.582 1.00 0.00 C -ATOM 187 O PRO A 12 7.983 -3.757 1.936 1.00 0.00 O -ATOM 188 CB PRO A 12 6.900 -2.604 4.759 1.00 0.00 C -ATOM 189 CG PRO A 12 5.728 -2.068 5.577 1.00 0.00 C -ATOM 190 CD PRO A 12 4.512 -2.626 4.845 1.00 0.00 C -ATOM 191 HA PRO A 12 6.641 -1.759 2.794 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.189 -3.579 5.102 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.769 -1.950 4.830 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.767 -2.427 6.588 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.715 -0.978 5.530 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.264 -3.600 5.220 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.657 -1.969 5.001 1.00 0.00 H -ATOM 198 N SER A 13 6.257 -5.031 2.623 1.00 0.00 N -ATOM 199 CA SER A 13 6.670 -6.282 1.972 1.00 0.00 C -ATOM 200 C SER A 13 6.824 -6.145 0.453 1.00 0.00 C -ATOM 201 O SER A 13 7.646 -6.844 -0.133 1.00 0.00 O -ATOM 202 CB SER A 13 5.666 -7.410 2.245 1.00 0.00 C -ATOM 203 OG SER A 13 5.190 -7.395 3.578 1.00 0.00 O -ATOM 204 H SER A 13 5.393 -5.044 3.149 1.00 0.00 H -ATOM 205 HA SER A 13 7.634 -6.578 2.384 1.00 0.00 H -ATOM 206 HB2 SER A 13 4.832 -7.298 1.579 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.147 -8.369 2.042 1.00 0.00 H -ATOM 208 HG SER A 13 4.440 -6.757 3.610 1.00 0.00 H -ATOM 209 N SER A 14 6.065 -5.236 -0.178 1.00 0.00 N -ATOM 210 CA SER A 14 6.173 -4.951 -1.616 1.00 0.00 C -ATOM 211 C SER A 14 7.384 -4.059 -1.960 1.00 0.00 C -ATOM 212 O SER A 14 7.680 -3.817 -3.128 1.00 0.00 O -ATOM 213 CB SER A 14 4.873 -4.299 -2.106 1.00 0.00 C -ATOM 214 OG SER A 14 4.686 -4.580 -3.476 1.00 0.00 O -ATOM 215 H SER A 14 5.428 -4.670 0.375 1.00 0.00 H -ATOM 216 HA SER A 14 6.289 -5.897 -2.145 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.045 -4.689 -1.546 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.926 -3.220 -1.965 1.00 0.00 H -ATOM 219 HG SER A 14 3.848 -5.193 -3.590 1.00 0.00 H -ATOM 220 N GLY A 15 8.094 -3.531 -0.951 1.00 0.00 N -ATOM 221 CA GLY A 15 9.291 -2.699 -1.108 1.00 0.00 C -ATOM 222 C GLY A 15 9.020 -1.228 -1.452 1.00 0.00 C -ATOM 223 O GLY A 15 9.943 -0.418 -1.405 1.00 0.00 O -ATOM 224 H GLY A 15 7.836 -3.773 0.003 1.00 0.00 H -ATOM 225 HA2 GLY A 15 9.859 -2.730 -0.178 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.916 -3.120 -1.896 1.00 0.00 H -ATOM 227 N ARG A 16 7.772 -0.861 -1.777 1.00 0.00 N -ATOM 228 CA ARG A 16 7.352 0.518 -2.058 1.00 0.00 C -ATOM 229 C ARG A 16 6.926 1.233 -0.760 1.00 0.00 C -ATOM 230 O ARG A 16 6.220 0.619 0.040 1.00 0.00 O -ATOM 231 CB ARG A 16 6.203 0.479 -3.084 1.00 0.00 C -ATOM 232 CG ARG A 16 5.906 1.869 -3.663 1.00 0.00 C -ATOM 233 CD ARG A 16 4.859 1.824 -4.784 1.00 0.00 C -ATOM 234 NE ARG A 16 5.035 2.953 -5.722 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.956 3.050 -6.675 1.00 0.00 C -ATOM 236 NH1 ARG A 16 6.818 2.086 -6.908 1.00 0.00 N -ATOM 237 NH2 ARG A 16 6.038 4.130 -7.417 1.00 0.00 N -ATOM 238 H ARG A 16 7.080 -1.599 -1.790 1.00 0.00 H -ATOM 239 HA ARG A 16 8.204 1.035 -2.496 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.476 -0.180 -3.886 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.302 0.068 -2.623 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.541 2.500 -2.875 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.835 2.270 -4.065 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.961 0.902 -5.323 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.862 1.868 -4.338 1.00 0.00 H -ATOM 246 HE ARG A 16 4.410 3.733 -5.609 1.00 0.00 H -ATOM 247 HH11 ARG A 16 6.760 1.254 -6.348 1.00 0.00 H -ATOM 248 HH12 ARG A 16 7.516 2.163 -7.627 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.407 4.899 -7.273 1.00 0.00 H -ATOM 250 HH22 ARG A 16 6.744 4.192 -8.129 1.00 0.00 H -ATOM 251 N PRO A 17 7.271 2.523 -0.549 1.00 0.00 N -ATOM 252 CA PRO A 17 6.808 3.297 0.611 1.00 0.00 C -ATOM 253 C PRO A 17 5.279 3.519 0.624 1.00 0.00 C -ATOM 254 O PRO A 17 4.632 3.367 -0.415 1.00 0.00 O -ATOM 255 CB PRO A 17 7.573 4.626 0.537 1.00 0.00 C -ATOM 256 CG PRO A 17 7.901 4.777 -0.945 1.00 0.00 C -ATOM 257 CD PRO A 17 8.157 3.337 -1.372 1.00 0.00 C -ATOM 258 HA PRO A 17 7.094 2.768 1.522 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.961 5.439 0.877 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.500 4.546 1.107 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.076 5.201 -1.484 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.773 5.411 -1.109 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.927 3.208 -2.412 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.192 3.067 -1.160 1.00 0.00 H -ATOM 265 N PRO A 18 4.694 3.905 1.780 1.00 0.00 N -ATOM 266 CA PRO A 18 3.255 4.134 1.918 1.00 0.00 C -ATOM 267 C PRO A 18 2.773 5.345 1.089 1.00 0.00 C -ATOM 268 O PRO A 18 3.434 6.387 1.085 1.00 0.00 O -ATOM 269 CB PRO A 18 2.999 4.340 3.415 1.00 0.00 C -ATOM 270 CG PRO A 18 4.345 4.826 3.946 1.00 0.00 C -ATOM 271 CD PRO A 18 5.352 4.088 3.066 1.00 0.00 C -ATOM 272 HA PRO A 18 2.740 3.228 1.610 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.235 5.077 3.575 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.750 3.384 3.875 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.442 5.889 3.834 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.476 4.586 5.001 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.245 4.671 2.949 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.572 3.112 3.500 1.00 0.00 H -ATOM 279 N PRO A 19 1.634 5.227 0.378 1.00 0.00 N -ATOM 280 CA PRO A 19 1.081 6.286 -0.462 1.00 0.00 C -ATOM 281 C PRO A 19 0.140 7.224 0.318 1.00 0.00 C -ATOM 282 O PRO A 19 -0.995 6.854 0.627 1.00 0.00 O -ATOM 283 CB PRO A 19 0.343 5.530 -1.568 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.205 4.301 -0.835 1.00 0.00 C -ATOM 285 CD PRO A 19 0.881 3.994 0.190 1.00 0.00 C -ATOM 286 HA PRO A 19 1.884 6.872 -0.910 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.453 6.123 -1.976 1.00 0.00 H -ATOM 288 HB3 PRO A 19 1.059 5.213 -2.327 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.137 4.524 -0.353 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.362 3.458 -1.502 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.439 3.685 1.117 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.543 3.227 -0.214 1.00 0.00 H -ATOM 293 N SER A 20 0.592 8.464 0.558 1.00 0.00 N -ATOM 294 CA SER A 20 -0.080 9.471 1.411 1.00 0.00 C -ATOM 295 C SER A 20 -0.300 8.997 2.863 1.00 0.00 C -ATOM 296 O SER A 20 -1.168 9.604 3.527 1.00 0.00 O -ATOM 297 CB SER A 20 -1.392 9.955 0.771 1.00 0.00 C -ATOM 298 OG SER A 20 -1.109 10.475 -0.508 1.00 0.00 O -ATOM 299 OXT SER A 20 0.428 8.079 3.303 1.00 0.00 O -ATOM 300 H SER A 20 1.561 8.632 0.336 1.00 0.00 H -ATOM 301 HA SER A 20 0.570 10.339 1.493 1.00 0.00 H -ATOM 302 HB2 SER A 20 -2.075 9.132 0.683 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.847 10.731 1.390 1.00 0.00 H -ATOM 304 HG SER A 20 -0.488 9.864 -0.909 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 26 -ATOM 1 N ASN A 1 -6.391 7.510 1.067 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.401 6.806 0.244 1.00 0.00 C -ATOM 3 C ASN A 1 -6.844 5.505 -0.338 1.00 0.00 C -ATOM 4 O ASN A 1 -7.312 4.446 0.047 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.052 7.731 -0.811 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.488 7.309 -1.115 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -10.112 6.606 -0.339 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -10.066 7.738 -2.223 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.984 6.869 1.737 1.00 0.00 H -ATOM 10 H2 ASN A 1 -5.657 7.891 0.486 1.00 0.00 H -ATOM 11 H3 ASN A 1 -6.829 8.267 1.573 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.203 6.494 0.918 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.056 8.737 -0.438 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -7.467 7.735 -1.732 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -9.621 8.342 -2.895 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -11.024 7.438 -2.329 1.00 0.00 H -ATOM 17 N LEU A 2 -5.809 5.545 -1.190 1.00 0.00 N -ATOM 18 CA LEU A 2 -5.260 4.361 -1.876 1.00 0.00 C -ATOM 19 C LEU A 2 -4.455 3.379 -0.984 1.00 0.00 C -ATOM 20 O LEU A 2 -3.894 2.406 -1.484 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.436 4.848 -3.091 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.581 3.949 -4.337 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -5.961 4.101 -4.990 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -3.517 4.307 -5.376 1.00 0.00 C -ATOM 25 H LEU A 2 -5.432 6.430 -1.495 1.00 0.00 H -ATOM 26 HA LEU A 2 -6.112 3.787 -2.244 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.762 5.838 -3.347 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.385 4.897 -2.803 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.439 2.910 -4.055 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -6.748 3.783 -4.309 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -6.130 5.140 -5.275 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -6.013 3.478 -5.884 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -3.640 5.340 -5.703 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -2.523 4.177 -4.947 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -3.611 3.645 -6.237 1.00 0.00 H -ATOM 36 N TYR A 3 -4.393 3.603 0.335 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.609 2.805 1.286 1.00 0.00 C -ATOM 38 C TYR A 3 -3.980 1.311 1.271 1.00 0.00 C -ATOM 39 O TYR A 3 -3.097 0.457 1.342 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.768 3.413 2.688 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.733 2.956 3.700 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -1.416 3.452 3.615 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -3.089 2.094 4.759 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -0.459 3.085 4.578 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -2.137 1.743 5.737 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.818 2.240 5.645 1.00 0.00 C -ATOM 47 OH TYR A 3 0.102 1.933 6.600 1.00 0.00 O -ATOM 48 H TYR A 3 -4.931 4.374 0.692 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.558 2.880 1.004 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.700 4.480 2.599 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.769 3.193 3.064 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -1.140 4.153 2.841 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -4.101 1.723 4.839 1.00 0.00 H -ATOM 54 HE1 TYR A 3 0.543 3.484 4.536 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -2.415 1.104 6.560 1.00 0.00 H -ATOM 56 HH TYR A 3 -0.304 1.658 7.423 1.00 0.00 H -ATOM 57 N ILE A 4 -5.271 0.979 1.105 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.754 -0.410 1.022 1.00 0.00 C -ATOM 59 C ILE A 4 -5.089 -1.175 -0.139 1.00 0.00 C -ATOM 60 O ILE A 4 -4.712 -2.334 0.030 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.299 -0.466 0.907 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.026 0.325 2.026 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.790 -1.925 0.951 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.616 1.639 1.507 1.00 0.00 C -ATOM 65 H ILE A 4 -5.941 1.734 1.048 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.466 -0.915 1.945 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.586 -0.056 -0.062 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.820 -0.280 2.419 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.342 0.536 2.850 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.387 -2.483 0.107 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.482 -2.388 1.890 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.878 -1.947 0.874 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.815 2.287 1.164 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.304 1.440 0.682 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.164 2.137 2.308 1.00 0.00 H -ATOM 76 N GLN A 5 -4.926 -0.531 -1.304 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.245 -1.108 -2.469 1.00 0.00 C -ATOM 78 C GLN A 5 -2.765 -1.396 -2.181 1.00 0.00 C -ATOM 79 O GLN A 5 -2.271 -2.461 -2.542 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.387 -0.170 -3.681 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.621 -0.468 -4.541 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.458 -1.776 -5.310 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.686 -1.876 -6.248 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -6.163 -2.827 -4.942 1.00 0.00 N -ATOM 85 H GLN A 5 -5.175 0.448 -1.343 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.705 -2.066 -2.705 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.457 0.839 -3.324 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.501 -0.243 -4.314 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -6.481 -0.542 -3.904 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.740 0.337 -5.267 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -6.842 -2.805 -4.203 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -5.976 -3.641 -5.504 1.00 0.00 H -ATOM 93 N TRP A 6 -2.070 -0.489 -1.486 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.694 -0.725 -1.048 1.00 0.00 C -ATOM 95 C TRP A 6 -0.586 -1.880 -0.041 1.00 0.00 C -ATOM 96 O TRP A 6 0.293 -2.734 -0.172 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.120 0.575 -0.487 1.00 0.00 C -ATOM 98 CG TRP A 6 1.275 0.460 0.036 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.391 0.368 -0.723 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.722 0.382 1.424 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.492 0.238 0.099 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.144 0.266 1.428 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.079 0.400 2.681 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.896 0.202 2.607 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.824 0.321 3.875 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.227 0.234 3.842 1.00 0.00 C -ATOM 107 H TRP A 6 -2.540 0.365 -1.212 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.096 -1.008 -1.916 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.125 1.309 -1.269 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.758 0.938 0.318 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.415 0.380 -1.804 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.461 0.154 -0.221 1.00 0.00 H -ATOM 113 HE3 TRP A 6 0.002 0.485 2.724 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.971 0.113 2.553 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.315 0.339 4.828 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.787 0.188 4.764 1.00 0.00 H -ATOM 117 N LEU A 7 -1.509 -1.961 0.928 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.576 -3.104 1.842 1.00 0.00 C -ATOM 119 C LEU A 7 -1.846 -4.428 1.109 1.00 0.00 C -ATOM 120 O LEU A 7 -1.246 -5.436 1.477 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.635 -2.881 2.933 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.340 -1.734 3.917 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.514 -1.637 4.896 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.050 -1.947 4.717 1.00 0.00 C -ATOM 125 H LEU A 7 -2.179 -1.199 1.017 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.602 -3.218 2.316 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.569 -2.670 2.449 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.724 -3.804 3.508 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.258 -0.794 3.378 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.444 -1.501 4.345 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.577 -2.544 5.497 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.373 -0.786 5.557 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.082 -2.901 5.242 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.188 -1.932 4.050 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.929 -1.141 5.440 1.00 0.00 H -ATOM 136 N LYS A 8 -2.690 -4.435 0.061 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.971 -5.620 -0.774 1.00 0.00 C -ATOM 138 C LYS A 8 -1.703 -6.283 -1.322 1.00 0.00 C -ATOM 139 O LYS A 8 -1.660 -7.507 -1.400 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.900 -5.260 -1.954 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.270 -5.950 -1.934 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.299 -5.296 -1.003 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.225 -5.825 0.432 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.472 -5.522 1.173 1.00 0.00 N -ATOM 145 H LYS A 8 -3.165 -3.561 -0.155 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.442 -6.380 -0.153 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.061 -4.199 -1.939 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.414 -5.561 -2.885 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.666 -5.938 -2.931 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.158 -7.008 -1.693 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.123 -4.238 -0.987 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -7.289 -5.514 -1.408 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -6.080 -6.888 0.407 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -5.360 -5.380 0.933 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -7.622 -4.522 1.214 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -8.262 -5.946 0.705 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -7.423 -5.889 2.114 1.00 0.00 H -ATOM 158 N ASP A 9 -0.697 -5.489 -1.696 1.00 0.00 N -ATOM 159 CA ASP A 9 0.578 -5.995 -2.210 1.00 0.00 C -ATOM 160 C ASP A 9 1.430 -6.676 -1.116 1.00 0.00 C -ATOM 161 O ASP A 9 2.217 -7.569 -1.419 1.00 0.00 O -ATOM 162 CB ASP A 9 1.320 -4.822 -2.871 1.00 0.00 C -ATOM 163 CG ASP A 9 2.419 -5.299 -3.819 1.00 0.00 C -ATOM 164 OD1 ASP A 9 3.520 -5.598 -3.301 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.157 -5.333 -5.040 1.00 0.00 O -ATOM 166 H ASP A 9 -0.826 -4.488 -1.630 1.00 0.00 H -ATOM 167 HA ASP A 9 0.373 -6.742 -2.979 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.614 -4.235 -3.427 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.750 -4.177 -2.102 1.00 0.00 H -ATOM 170 N GLY A 10 1.241 -6.295 0.157 1.00 0.00 N -ATOM 171 CA GLY A 10 2.072 -6.717 1.292 1.00 0.00 C -ATOM 172 C GLY A 10 2.600 -5.567 2.160 1.00 0.00 C -ATOM 173 O GLY A 10 3.329 -5.819 3.122 1.00 0.00 O -ATOM 174 H GLY A 10 0.439 -5.705 0.348 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.481 -7.376 1.928 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.933 -7.279 0.931 1.00 0.00 H -ATOM 177 N GLY A 11 2.242 -4.309 1.862 1.00 0.00 N -ATOM 178 CA GLY A 11 2.640 -3.145 2.653 1.00 0.00 C -ATOM 179 C GLY A 11 4.171 -3.021 2.779 1.00 0.00 C -ATOM 180 O GLY A 11 4.857 -3.010 1.755 1.00 0.00 O -ATOM 181 H GLY A 11 1.703 -4.147 1.019 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.262 -2.248 2.167 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.174 -3.222 3.633 1.00 0.00 H -ATOM 184 N PRO A 12 4.750 -2.936 3.998 1.00 0.00 N -ATOM 185 CA PRO A 12 6.203 -2.848 4.176 1.00 0.00 C -ATOM 186 C PRO A 12 6.986 -3.997 3.521 1.00 0.00 C -ATOM 187 O PRO A 12 8.127 -3.802 3.103 1.00 0.00 O -ATOM 188 CB PRO A 12 6.446 -2.831 5.690 1.00 0.00 C -ATOM 189 CG PRO A 12 5.113 -2.378 6.278 1.00 0.00 C -ATOM 190 CD PRO A 12 4.086 -2.931 5.293 1.00 0.00 C -ATOM 191 HA PRO A 12 6.548 -1.905 3.749 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.705 -3.810 6.045 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.253 -2.148 5.957 1.00 0.00 H -ATOM 194 HG2 PRO A 12 4.966 -2.790 7.258 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.066 -1.289 6.283 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.799 -3.927 5.571 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.196 -2.303 5.294 1.00 0.00 H -ATOM 198 N SER A 13 6.377 -5.184 3.397 1.00 0.00 N -ATOM 199 CA SER A 13 6.999 -6.365 2.789 1.00 0.00 C -ATOM 200 C SER A 13 7.090 -6.294 1.255 1.00 0.00 C -ATOM 201 O SER A 13 7.691 -7.181 0.653 1.00 0.00 O -ATOM 202 CB SER A 13 6.253 -7.630 3.234 1.00 0.00 C -ATOM 203 OG SER A 13 6.246 -7.721 4.648 1.00 0.00 O -ATOM 204 H SER A 13 5.417 -5.288 3.715 1.00 0.00 H -ATOM 205 HA SER A 13 8.023 -6.439 3.156 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.242 -7.590 2.876 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.749 -8.510 2.826 1.00 0.00 H -ATOM 208 HG SER A 13 7.152 -7.694 4.967 1.00 0.00 H -ATOM 209 N SER A 14 6.547 -5.244 0.623 1.00 0.00 N -ATOM 210 CA SER A 14 6.546 -5.037 -0.834 1.00 0.00 C -ATOM 211 C SER A 14 7.710 -4.195 -1.366 1.00 0.00 C -ATOM 212 O SER A 14 7.806 -3.980 -2.574 1.00 0.00 O -ATOM 213 CB SER A 14 5.255 -4.326 -1.232 1.00 0.00 C -ATOM 214 OG SER A 14 4.168 -5.191 -1.045 1.00 0.00 O -ATOM 215 H SER A 14 6.016 -4.575 1.174 1.00 0.00 H -ATOM 216 HA SER A 14 6.572 -6.003 -1.341 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.126 -3.452 -0.623 1.00 0.00 H -ATOM 218 HB3 SER A 14 5.295 -4.054 -2.288 1.00 0.00 H -ATOM 219 HG SER A 14 3.879 -5.451 -2.001 1.00 0.00 H -ATOM 220 N GLY A 15 8.565 -3.636 -0.501 1.00 0.00 N -ATOM 221 CA GLY A 15 9.674 -2.757 -0.898 1.00 0.00 C -ATOM 222 C GLY A 15 9.253 -1.339 -1.324 1.00 0.00 C -ATOM 223 O GLY A 15 9.969 -0.382 -1.033 1.00 0.00 O -ATOM 224 H GLY A 15 8.424 -3.831 0.482 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.376 -2.674 -0.069 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.203 -3.214 -1.736 1.00 0.00 H -ATOM 227 N ARG A 16 8.102 -1.178 -1.996 1.00 0.00 N -ATOM 228 CA ARG A 16 7.531 0.125 -2.365 1.00 0.00 C -ATOM 229 C ARG A 16 6.961 0.857 -1.128 1.00 0.00 C -ATOM 230 O ARG A 16 6.215 0.232 -0.372 1.00 0.00 O -ATOM 231 CB ARG A 16 6.442 -0.081 -3.437 1.00 0.00 C -ATOM 232 CG ARG A 16 5.971 1.260 -4.018 1.00 0.00 C -ATOM 233 CD ARG A 16 4.982 1.094 -5.178 1.00 0.00 C -ATOM 234 NE ARG A 16 4.802 2.367 -5.907 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.658 2.919 -6.763 1.00 0.00 C -ATOM 236 NH1 ARG A 16 6.787 2.331 -7.088 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.400 4.083 -7.311 1.00 0.00 N -ATOM 238 H ARG A 16 7.619 -2.035 -2.253 1.00 0.00 H -ATOM 239 HA ARG A 16 8.340 0.714 -2.794 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.841 -0.685 -4.229 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.593 -0.617 -3.009 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.493 1.822 -3.239 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.844 1.801 -4.375 1.00 0.00 H -ATOM 244 HD2 ARG A 16 5.357 0.352 -5.856 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.021 0.765 -4.779 1.00 0.00 H -ATOM 246 HE ARG A 16 3.960 2.882 -5.711 1.00 0.00 H -ATOM 247 HH11 ARG A 16 6.987 1.438 -6.674 1.00 0.00 H -ATOM 248 HH12 ARG A 16 7.437 2.753 -7.728 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.551 4.572 -7.091 1.00 0.00 H -ATOM 250 HH22 ARG A 16 6.056 4.492 -7.951 1.00 0.00 H -ATOM 251 N PRO A 17 7.229 2.166 -0.931 1.00 0.00 N -ATOM 252 CA PRO A 17 6.645 2.952 0.164 1.00 0.00 C -ATOM 253 C PRO A 17 5.124 3.174 0.002 1.00 0.00 C -ATOM 254 O PRO A 17 4.593 2.997 -1.099 1.00 0.00 O -ATOM 255 CB PRO A 17 7.407 4.284 0.146 1.00 0.00 C -ATOM 256 CG PRO A 17 7.816 4.441 -1.315 1.00 0.00 C -ATOM 257 CD PRO A 17 8.118 3.003 -1.727 1.00 0.00 C -ATOM 258 HA PRO A 17 6.829 2.440 1.109 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.773 5.093 0.456 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.301 4.200 0.766 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.016 4.853 -1.900 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.685 5.087 -1.430 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.923 2.865 -2.773 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.154 2.758 -1.485 1.00 0.00 H -ATOM 265 N PRO A 18 4.413 3.584 1.073 1.00 0.00 N -ATOM 266 CA PRO A 18 2.970 3.822 1.030 1.00 0.00 C -ATOM 267 C PRO A 18 2.594 5.069 0.201 1.00 0.00 C -ATOM 268 O PRO A 18 3.394 5.998 0.089 1.00 0.00 O -ATOM 269 CB PRO A 18 2.538 3.970 2.492 1.00 0.00 C -ATOM 270 CG PRO A 18 3.794 4.489 3.188 1.00 0.00 C -ATOM 271 CD PRO A 18 4.918 3.789 2.425 1.00 0.00 C -ATOM 272 HA PRO A 18 2.489 2.946 0.603 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.732 4.672 2.584 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.286 2.991 2.895 1.00 0.00 H -ATOM 275 HG2 PRO A 18 3.872 5.555 3.099 1.00 0.00 H -ATOM 276 HG3 PRO A 18 3.805 4.232 4.248 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.797 4.405 2.406 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.127 2.823 2.884 1.00 0.00 H -ATOM 279 N PRO A 19 1.367 5.119 -0.360 1.00 0.00 N -ATOM 280 CA PRO A 19 0.902 6.218 -1.210 1.00 0.00 C -ATOM 281 C PRO A 19 0.393 7.441 -0.434 1.00 0.00 C -ATOM 282 O PRO A 19 0.376 8.539 -0.986 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.244 5.614 -2.031 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.838 4.567 -1.088 1.00 0.00 C -ATOM 285 CD PRO A 19 0.396 4.036 -0.365 1.00 0.00 C -ATOM 286 HA PRO A 19 1.700 6.542 -1.881 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.972 6.361 -2.283 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.161 5.121 -2.915 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.529 5.013 -0.399 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.356 3.777 -1.634 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.146 3.757 0.640 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.819 3.209 -0.930 1.00 0.00 H -ATOM 293 N SER A 20 -0.071 7.250 0.808 1.00 0.00 N -ATOM 294 CA SER A 20 -0.627 8.275 1.694 1.00 0.00 C -ATOM 295 C SER A 20 -0.615 7.810 3.147 1.00 0.00 C -ATOM 296 O SER A 20 -0.310 6.619 3.378 1.00 0.00 O -ATOM 297 CB SER A 20 -2.071 8.593 1.302 1.00 0.00 C -ATOM 298 OG SER A 20 -2.519 9.564 2.220 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.045 8.668 3.958 1.00 0.00 O -ATOM 300 H SER A 20 0.027 6.343 1.249 1.00 0.00 H -ATOM 301 HA SER A 20 -0.028 9.183 1.627 1.00 0.00 H -ATOM 302 HB2 SER A 20 -2.109 8.980 0.302 1.00 0.00 H -ATOM 303 HB3 SER A 20 -2.678 7.692 1.404 1.00 0.00 H -ATOM 304 HG SER A 20 -1.976 9.352 3.052 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 27 -ATOM 1 N ASN A 1 -6.891 7.053 0.882 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.783 6.096 0.185 1.00 0.00 C -ATOM 3 C ASN A 1 -7.000 4.934 -0.439 1.00 0.00 C -ATOM 4 O ASN A 1 -7.252 3.795 -0.069 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.741 6.795 -0.802 1.00 0.00 C -ATOM 6 CG ASN A 1 -10.186 6.423 -0.481 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -10.742 5.509 -1.060 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -10.818 7.078 0.477 1.00 0.00 N -ATOM 9 H1 ASN A 1 -6.270 6.561 1.512 1.00 0.00 H -ATOM 10 H2 ASN A 1 -6.341 7.576 0.215 1.00 0.00 H -ATOM 11 H3 ASN A 1 -7.442 7.704 1.424 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.409 5.625 0.947 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.621 7.858 -0.720 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.526 6.488 -1.827 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -10.460 7.874 0.978 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -11.767 6.760 0.616 1.00 0.00 H -ATOM 17 N LEU A 2 -6.006 5.194 -1.304 1.00 0.00 N -ATOM 18 CA LEU A 2 -5.176 4.163 -1.955 1.00 0.00 C -ATOM 19 C LEU A 2 -4.381 3.236 -1.006 1.00 0.00 C -ATOM 20 O LEU A 2 -3.851 2.217 -1.451 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.228 4.849 -2.968 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.572 4.553 -4.446 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.888 5.843 -5.207 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -3.420 3.823 -5.139 1.00 0.00 C -ATOM 25 H LEU A 2 -5.840 6.139 -1.619 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.853 3.499 -2.494 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.280 5.910 -2.815 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.207 4.517 -2.778 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.453 3.919 -4.507 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -5.757 6.328 -4.763 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -4.034 6.520 -5.172 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -5.113 5.608 -6.248 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.521 4.441 -5.130 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -3.217 2.884 -4.623 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -3.691 3.600 -6.170 1.00 0.00 H -ATOM 36 N TYR A 3 -4.322 3.538 0.295 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.630 2.739 1.309 1.00 0.00 C -ATOM 38 C TYR A 3 -4.063 1.261 1.312 1.00 0.00 C -ATOM 39 O TYR A 3 -3.226 0.377 1.478 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.838 3.395 2.684 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.746 3.070 3.682 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -1.555 3.822 3.668 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -2.916 2.041 4.628 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -0.528 3.543 4.588 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -1.889 1.757 5.549 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.690 2.503 5.526 1.00 0.00 C -ATOM 47 OH TYR A 3 0.302 2.210 6.407 1.00 0.00 O -ATOM 48 H TYR A 3 -4.782 4.379 0.596 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.564 2.767 1.081 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.870 4.459 2.551 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.808 3.100 3.087 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -1.427 4.632 2.963 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -3.834 1.470 4.653 1.00 0.00 H -ATOM 54 HE1 TYR A 3 0.367 4.148 4.584 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -1.998 0.980 6.291 1.00 0.00 H -ATOM 56 HH TYR A 3 1.068 2.771 6.272 1.00 0.00 H -ATOM 57 N ILE A 4 -5.351 0.975 1.056 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.888 -0.395 0.981 1.00 0.00 C -ATOM 59 C ILE A 4 -5.258 -1.202 -0.170 1.00 0.00 C -ATOM 60 O ILE A 4 -5.000 -2.397 -0.010 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.431 -0.365 0.840 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.123 0.422 1.988 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.009 -1.791 0.799 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.974 1.614 1.515 1.00 0.00 C -ATOM 65 H ILE A 4 -5.981 1.754 0.908 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.641 -0.909 1.910 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.663 0.104 -0.117 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.761 -0.255 2.523 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.383 0.790 2.700 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.689 -2.299 -0.111 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.678 -2.350 1.677 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.099 -1.748 0.791 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -8.549 2.540 1.901 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.023 1.674 0.427 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.990 1.511 1.898 1.00 0.00 H -ATOM 76 N GLN A 5 -5.008 -0.559 -1.320 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.326 -1.156 -2.473 1.00 0.00 C -ATOM 78 C GLN A 5 -2.853 -1.433 -2.147 1.00 0.00 C -ATOM 79 O GLN A 5 -2.377 -2.543 -2.369 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.472 -0.240 -3.703 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.830 -0.425 -4.399 1.00 0.00 C -ATOM 82 CD GLN A 5 -6.178 0.770 -5.279 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.720 0.909 -6.400 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -7.002 1.685 -4.804 1.00 0.00 N -ATOM 85 H GLN A 5 -5.155 0.443 -1.336 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.787 -2.118 -2.705 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.380 0.781 -3.387 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.684 -0.462 -4.425 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.791 -1.307 -5.009 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.617 -0.559 -3.656 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -7.431 1.614 -3.898 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -7.199 2.423 -5.458 1.00 0.00 H -ATOM 93 N TRP A 6 -2.147 -0.465 -1.550 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.764 -0.655 -1.100 1.00 0.00 C -ATOM 95 C TRP A 6 -0.620 -1.767 -0.046 1.00 0.00 C -ATOM 96 O TRP A 6 0.292 -2.590 -0.131 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.223 0.670 -0.570 1.00 0.00 C -ATOM 98 CG TRP A 6 1.164 0.588 -0.013 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.300 0.553 -0.745 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.583 0.484 1.384 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.385 0.445 0.101 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.006 0.404 1.417 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.917 0.446 2.628 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.739 0.321 2.605 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.641 0.345 3.833 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.047 0.297 3.825 1.00 0.00 C -ATOM 107 H TRP A 6 -2.601 0.431 -1.402 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.156 -0.955 -1.957 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.221 1.379 -1.376 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.886 1.043 0.211 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.343 0.604 -1.827 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.363 0.430 -0.184 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.163 0.502 2.652 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.818 0.270 2.567 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.113 0.309 4.774 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.594 0.239 4.756 1.00 0.00 H -ATOM 117 N LEU A 7 -1.538 -1.844 0.927 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.586 -2.971 1.862 1.00 0.00 C -ATOM 119 C LEU A 7 -1.803 -4.308 1.137 1.00 0.00 C -ATOM 120 O LEU A 7 -1.174 -5.298 1.515 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.666 -2.743 2.930 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.317 -1.692 4.002 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.510 -1.571 4.957 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.074 -2.069 4.817 1.00 0.00 C -ATOM 125 H LEU A 7 -2.228 -1.098 1.006 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.615 -3.051 2.349 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.562 -2.425 2.433 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.847 -3.693 3.438 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.144 -0.726 3.537 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.393 -1.251 4.403 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.709 -2.532 5.432 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.298 -0.838 5.731 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.167 -3.087 5.199 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.183 -1.995 4.196 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.956 -1.382 5.655 1.00 0.00 H -ATOM 136 N LYS A 8 -2.624 -4.342 0.073 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.837 -5.530 -0.770 1.00 0.00 C -ATOM 138 C LYS A 8 -1.539 -6.072 -1.384 1.00 0.00 C -ATOM 139 O LYS A 8 -1.398 -7.286 -1.490 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.851 -5.224 -1.892 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.867 -6.357 -2.133 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.241 -6.033 -1.528 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.193 -5.982 0.004 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.398 -5.322 0.557 1.00 0.00 N -ATOM 145 H LYS A 8 -3.095 -3.479 -0.180 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.224 -6.323 -0.132 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.391 -4.335 -1.628 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.307 -5.048 -2.822 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.979 -6.503 -3.190 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -4.495 -7.304 -1.740 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.567 -5.079 -1.897 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.954 -6.797 -1.840 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -6.136 -6.983 0.386 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -5.303 -5.427 0.313 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -7.411 -4.352 0.270 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -8.235 -5.778 0.219 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -7.387 -5.360 1.567 1.00 0.00 H -ATOM 158 N ASP A 9 -0.586 -5.196 -1.733 1.00 0.00 N -ATOM 159 CA ASP A 9 0.742 -5.596 -2.224 1.00 0.00 C -ATOM 160 C ASP A 9 1.596 -6.294 -1.144 1.00 0.00 C -ATOM 161 O ASP A 9 2.602 -6.919 -1.489 1.00 0.00 O -ATOM 162 CB ASP A 9 1.544 -4.384 -2.750 1.00 0.00 C -ATOM 163 CG ASP A 9 0.978 -3.644 -3.968 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.247 -4.280 -4.760 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.381 -2.472 -4.162 1.00 0.00 O -ATOM 166 H ASP A 9 -0.811 -4.209 -1.663 1.00 0.00 H -ATOM 167 HA ASP A 9 0.611 -6.302 -3.046 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.620 -3.675 -1.948 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.528 -4.743 -3.048 1.00 0.00 H -ATOM 170 N GLY A 10 1.242 -6.171 0.145 1.00 0.00 N -ATOM 171 CA GLY A 10 2.030 -6.642 1.290 1.00 0.00 C -ATOM 172 C GLY A 10 2.603 -5.520 2.168 1.00 0.00 C -ATOM 173 O GLY A 10 3.419 -5.803 3.047 1.00 0.00 O -ATOM 174 H GLY A 10 0.348 -5.733 0.351 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.391 -7.260 1.920 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.859 -7.262 0.950 1.00 0.00 H -ATOM 177 N GLY A 11 2.213 -4.255 1.949 1.00 0.00 N -ATOM 178 CA GLY A 11 2.700 -3.121 2.734 1.00 0.00 C -ATOM 179 C GLY A 11 4.238 -3.008 2.707 1.00 0.00 C -ATOM 180 O GLY A 11 4.830 -3.106 1.626 1.00 0.00 O -ATOM 181 H GLY A 11 1.566 -4.066 1.192 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.278 -2.203 2.330 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.340 -3.242 3.755 1.00 0.00 H -ATOM 184 N PRO A 12 4.916 -2.815 3.863 1.00 0.00 N -ATOM 185 CA PRO A 12 6.378 -2.719 3.922 1.00 0.00 C -ATOM 186 C PRO A 12 7.104 -3.938 3.329 1.00 0.00 C -ATOM 187 O PRO A 12 8.203 -3.799 2.793 1.00 0.00 O -ATOM 188 CB PRO A 12 6.739 -2.555 5.405 1.00 0.00 C -ATOM 189 CG PRO A 12 5.447 -2.080 6.062 1.00 0.00 C -ATOM 190 CD PRO A 12 4.360 -2.729 5.208 1.00 0.00 C -ATOM 191 HA PRO A 12 6.689 -1.827 3.377 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.056 -3.491 5.824 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.544 -1.832 5.542 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.388 -2.415 7.080 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.375 -0.995 5.986 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.126 -3.708 5.580 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.453 -2.129 5.244 1.00 0.00 H -ATOM 198 N SER A 13 6.487 -5.126 3.383 1.00 0.00 N -ATOM 199 CA SER A 13 7.062 -6.391 2.910 1.00 0.00 C -ATOM 200 C SER A 13 7.106 -6.523 1.380 1.00 0.00 C -ATOM 201 O SER A 13 7.528 -7.564 0.882 1.00 0.00 O -ATOM 202 CB SER A 13 6.294 -7.570 3.525 1.00 0.00 C -ATOM 203 OG SER A 13 6.273 -7.463 4.938 1.00 0.00 O -ATOM 204 H SER A 13 5.554 -5.180 3.780 1.00 0.00 H -ATOM 205 HA SER A 13 8.093 -6.447 3.259 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.287 -7.567 3.155 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.781 -8.506 3.247 1.00 0.00 H -ATOM 208 HG SER A 13 7.175 -7.487 5.266 1.00 0.00 H -ATOM 209 N SER A 14 6.699 -5.485 0.633 1.00 0.00 N -ATOM 210 CA SER A 14 6.610 -5.482 -0.834 1.00 0.00 C -ATOM 211 C SER A 14 7.584 -4.502 -1.514 1.00 0.00 C -ATOM 212 O SER A 14 7.442 -4.206 -2.702 1.00 0.00 O -ATOM 213 CB SER A 14 5.155 -5.226 -1.232 1.00 0.00 C -ATOM 214 OG SER A 14 4.800 -6.039 -2.327 1.00 0.00 O -ATOM 215 H SER A 14 6.332 -4.681 1.131 1.00 0.00 H -ATOM 216 HA SER A 14 6.872 -6.476 -1.198 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.515 -5.452 -0.401 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.998 -4.181 -1.482 1.00 0.00 H -ATOM 219 HG SER A 14 3.937 -6.470 -2.076 1.00 0.00 H -ATOM 220 N GLY A 15 8.565 -3.977 -0.761 1.00 0.00 N -ATOM 221 CA GLY A 15 9.672 -3.163 -1.282 1.00 0.00 C -ATOM 222 C GLY A 15 9.268 -1.785 -1.820 1.00 0.00 C -ATOM 223 O GLY A 15 9.964 -1.240 -2.674 1.00 0.00 O -ATOM 224 H GLY A 15 8.599 -4.262 0.210 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.403 -3.009 -0.487 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.168 -3.709 -2.087 1.00 0.00 H -ATOM 227 N ARG A 16 8.140 -1.233 -1.349 1.00 0.00 N -ATOM 228 CA ARG A 16 7.498 -0.025 -1.884 1.00 0.00 C -ATOM 229 C ARG A 16 6.929 0.860 -0.758 1.00 0.00 C -ATOM 230 O ARG A 16 6.271 0.329 0.139 1.00 0.00 O -ATOM 231 CB ARG A 16 6.407 -0.441 -2.895 1.00 0.00 C -ATOM 232 CG ARG A 16 5.361 -1.404 -2.301 1.00 0.00 C -ATOM 233 CD ARG A 16 4.279 -1.827 -3.291 1.00 0.00 C -ATOM 234 NE ARG A 16 4.779 -2.819 -4.260 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.349 -2.952 -5.509 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.327 -2.269 -5.969 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.939 -3.800 -6.319 1.00 0.00 N -ATOM 238 H ARG A 16 7.655 -1.742 -0.622 1.00 0.00 H -ATOM 239 HA ARG A 16 8.255 0.540 -2.429 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.902 0.443 -3.234 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.890 -0.927 -3.745 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.869 -2.285 -1.958 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.860 -0.926 -1.472 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.459 -2.256 -2.747 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.903 -0.939 -3.800 1.00 0.00 H -ATOM 246 HE ARG A 16 5.524 -3.428 -3.947 1.00 0.00 H -ATOM 247 HH11 ARG A 16 2.617 -2.056 -5.244 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.019 -2.337 -6.918 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.659 -4.401 -5.958 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.587 -3.922 -7.250 1.00 0.00 H -ATOM 251 N PRO A 17 7.128 2.192 -0.787 1.00 0.00 N -ATOM 252 CA PRO A 17 6.585 3.097 0.228 1.00 0.00 C -ATOM 253 C PRO A 17 5.060 3.276 0.076 1.00 0.00 C -ATOM 254 O PRO A 17 4.523 3.016 -1.003 1.00 0.00 O -ATOM 255 CB PRO A 17 7.327 4.419 0.005 1.00 0.00 C -ATOM 256 CG PRO A 17 7.594 4.418 -1.499 1.00 0.00 C -ATOM 257 CD PRO A 17 7.848 2.945 -1.807 1.00 0.00 C -ATOM 258 HA PRO A 17 6.811 2.711 1.221 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.717 5.255 0.287 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.275 4.397 0.543 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.743 4.783 -2.041 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.452 5.039 -1.758 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.478 2.699 -2.783 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.915 2.731 -1.732 1.00 0.00 H -ATOM 265 N PRO A 18 4.352 3.730 1.131 1.00 0.00 N -ATOM 266 CA PRO A 18 2.910 3.955 1.082 1.00 0.00 C -ATOM 267 C PRO A 18 2.524 5.163 0.203 1.00 0.00 C -ATOM 268 O PRO A 18 3.330 6.074 0.016 1.00 0.00 O -ATOM 269 CB PRO A 18 2.481 4.156 2.540 1.00 0.00 C -ATOM 270 CG PRO A 18 3.734 4.715 3.207 1.00 0.00 C -ATOM 271 CD PRO A 18 4.864 4.002 2.467 1.00 0.00 C -ATOM 272 HA PRO A 18 2.431 3.060 0.690 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.667 4.852 2.608 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.235 3.190 2.981 1.00 0.00 H -ATOM 275 HG2 PRO A 18 3.798 5.778 3.077 1.00 0.00 H -ATOM 276 HG3 PRO A 18 3.753 4.504 4.277 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.732 4.631 2.414 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.090 3.058 2.966 1.00 0.00 H -ATOM 279 N PRO A 19 1.275 5.206 -0.306 1.00 0.00 N -ATOM 280 CA PRO A 19 0.771 6.284 -1.164 1.00 0.00 C -ATOM 281 C PRO A 19 0.330 7.537 -0.389 1.00 0.00 C -ATOM 282 O PRO A 19 0.160 8.598 -0.988 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.429 5.664 -1.889 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.979 4.669 -0.864 1.00 0.00 C -ATOM 285 CD PRO A 19 0.284 4.149 -0.189 1.00 0.00 C -ATOM 286 HA PRO A 19 1.528 6.574 -1.894 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.160 6.411 -2.131 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.083 5.121 -2.771 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.622 5.157 -0.157 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.531 3.860 -1.339 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.091 3.933 0.844 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.650 3.279 -0.729 1.00 0.00 H -ATOM 293 N SER A 20 0.116 7.403 0.925 1.00 0.00 N -ATOM 294 CA SER A 20 -0.336 8.429 1.868 1.00 0.00 C -ATOM 295 C SER A 20 0.288 8.158 3.235 1.00 0.00 C -ATOM 296 O SER A 20 1.091 8.990 3.697 1.00 0.00 O -ATOM 297 CB SER A 20 -1.868 8.401 1.974 1.00 0.00 C -ATOM 298 OG SER A 20 -2.214 7.177 2.590 1.00 0.00 O -ATOM 299 OXT SER A 20 -0.112 7.093 3.776 1.00 0.00 O -ATOM 300 H SER A 20 0.272 6.489 1.323 1.00 0.00 H -ATOM 301 HA SER A 20 -0.007 9.414 1.535 1.00 0.00 H -ATOM 302 HB2 SER A 20 -2.212 9.224 2.570 1.00 0.00 H -ATOM 303 HB3 SER A 20 -2.324 8.479 0.986 1.00 0.00 H -ATOM 304 HG SER A 20 -1.394 7.015 3.184 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 28 -ATOM 1 N ASN A 1 -4.637 8.314 0.281 1.00 0.00 N -ATOM 2 CA ASN A 1 -5.414 7.451 -0.654 1.00 0.00 C -ATOM 3 C ASN A 1 -4.552 6.258 -1.103 1.00 0.00 C -ATOM 4 O ASN A 1 -3.410 6.182 -0.671 1.00 0.00 O -ATOM 5 CB ASN A 1 -5.986 8.274 -1.830 1.00 0.00 C -ATOM 6 CG ASN A 1 -7.060 7.510 -2.606 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -7.598 6.525 -2.122 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -7.361 7.888 -3.833 1.00 0.00 N -ATOM 9 H1 ASN A 1 -4.274 7.750 1.038 1.00 0.00 H -ATOM 10 H2 ASN A 1 -3.845 8.730 -0.193 1.00 0.00 H -ATOM 11 H3 ASN A 1 -5.220 9.048 0.659 1.00 0.00 H -ATOM 12 HA ASN A 1 -6.264 7.034 -0.107 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -6.417 9.177 -1.442 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -5.178 8.555 -2.505 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -6.930 8.673 -4.294 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -8.069 7.331 -4.288 1.00 0.00 H -ATOM 17 N LEU A 2 -5.081 5.309 -1.895 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.421 4.095 -2.428 1.00 0.00 C -ATOM 19 C LEU A 2 -3.907 3.086 -1.373 1.00 0.00 C -ATOM 20 O LEU A 2 -3.438 2.004 -1.727 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.323 4.462 -3.461 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.852 4.852 -4.858 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.240 6.330 -4.955 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -2.790 4.587 -5.929 1.00 0.00 C -ATOM 25 H LEU A 2 -6.060 5.437 -2.149 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.183 3.538 -2.975 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -2.763 5.291 -3.073 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.689 3.583 -3.592 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.724 4.242 -5.093 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -5.010 6.557 -4.229 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.370 6.961 -4.774 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.633 6.540 -5.950 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -1.903 5.190 -5.739 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -2.517 3.530 -5.926 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -3.189 4.833 -6.912 1.00 0.00 H -ATOM 36 N TYR A 3 -4.044 3.394 -0.080 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.489 2.632 1.037 1.00 0.00 C -ATOM 38 C TYR A 3 -3.961 1.172 1.078 1.00 0.00 C -ATOM 39 O TYR A 3 -3.161 0.277 1.338 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.815 3.362 2.349 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.670 3.331 3.335 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.480 2.213 4.167 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.776 4.416 3.400 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.407 2.188 5.077 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.707 4.403 4.312 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.523 3.285 5.158 1.00 0.00 C -ATOM 47 OH TYR A 3 0.472 3.267 6.085 1.00 0.00 O -ATOM 48 H TYR A 3 -4.369 4.327 0.113 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.405 2.622 0.917 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.046 4.385 2.124 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.703 2.925 2.808 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.164 1.380 4.111 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.914 5.270 2.750 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.257 1.345 5.732 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.031 5.245 4.351 1.00 0.00 H -ATOM 56 HH TYR A 3 0.616 4.135 6.463 1.00 0.00 H -ATOM 57 N ILE A 4 -5.240 0.915 0.764 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.800 -0.440 0.662 1.00 0.00 C -ATOM 59 C ILE A 4 -5.054 -1.256 -0.409 1.00 0.00 C -ATOM 60 O ILE A 4 -4.725 -2.421 -0.194 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.321 -0.381 0.365 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.099 0.508 1.368 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.932 -1.793 0.371 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.620 1.792 0.710 1.00 0.00 C -ATOM 65 H ILE A 4 -5.837 1.705 0.575 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.656 -0.946 1.618 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.455 0.022 -0.641 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.933 -0.049 1.751 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.469 0.772 2.219 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.495 -2.396 -0.421 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.751 -2.278 1.331 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.007 -1.735 0.196 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.790 2.390 0.335 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.288 1.538 -0.114 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.178 2.375 1.445 1.00 0.00 H -ATOM 76 N GLN A 5 -4.758 -0.632 -1.557 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.009 -1.246 -2.650 1.00 0.00 C -ATOM 78 C GLN A 5 -2.556 -1.532 -2.257 1.00 0.00 C -ATOM 79 O GLN A 5 -2.056 -2.621 -2.522 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.126 -0.385 -3.921 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.525 -1.255 -5.121 1.00 0.00 C -ATOM 82 CD GLN A 5 -4.816 -0.407 -6.354 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.867 0.201 -6.470 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -3.916 -0.347 -7.314 1.00 0.00 N -ATOM 85 H GLN A 5 -4.955 0.358 -1.625 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.460 -2.209 -2.849 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.872 0.371 -3.769 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.180 0.117 -4.130 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -3.722 -1.931 -5.344 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.434 -1.805 -4.876 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -3.043 -0.844 -7.271 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -4.190 0.218 -8.099 1.00 0.00 H -ATOM 93 N TRP A 6 -1.905 -0.591 -1.563 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.573 -0.794 -0.989 1.00 0.00 C -ATOM 95 C TRP A 6 -0.539 -1.937 0.047 1.00 0.00 C -ATOM 96 O TRP A 6 0.365 -2.772 0.016 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.090 0.537 -0.404 1.00 0.00 C -ATOM 98 CG TRP A 6 1.273 0.496 0.209 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.441 0.483 -0.473 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.630 0.425 1.623 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.492 0.396 0.418 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.053 0.371 1.722 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.899 0.398 2.830 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.719 0.302 2.954 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.557 0.314 4.072 1.00 0.00 C -ATOM 106 CH2 TRP A 6 2.961 0.267 4.137 1.00 0.00 C -ATOM 107 H TRP A 6 -2.385 0.292 -1.412 1.00 0.00 H -ATOM 108 HA TRP A 6 0.108 -1.080 -1.790 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.079 1.264 -1.193 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.793 0.874 0.356 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.536 0.516 -1.550 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.475 0.350 0.133 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.179 0.447 2.791 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.797 0.257 2.979 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 0.979 0.296 4.987 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.455 0.210 5.097 1.00 0.00 H -ATOM 117 N LEU A 7 -1.539 -2.023 0.936 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.647 -3.114 1.911 1.00 0.00 C -ATOM 119 C LEU A 7 -1.880 -4.491 1.263 1.00 0.00 C -ATOM 120 O LEU A 7 -1.299 -5.464 1.739 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.744 -2.801 2.945 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.387 -1.679 3.942 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.618 -1.346 4.787 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.248 -2.065 4.893 1.00 0.00 C -ATOM 125 H LEU A 7 -2.229 -1.275 0.955 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.693 -3.194 2.432 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.630 -2.508 2.415 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.953 -3.706 3.517 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.088 -0.784 3.401 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.425 -0.996 4.140 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.951 -2.230 5.330 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.378 -0.561 5.504 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.499 -2.980 5.429 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.325 -2.214 4.336 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -1.082 -1.265 5.612 1.00 0.00 H -ATOM 136 N LYS A 8 -2.664 -4.593 0.174 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.892 -5.859 -0.562 1.00 0.00 C -ATOM 138 C LYS A 8 -1.591 -6.528 -1.022 1.00 0.00 C -ATOM 139 O LYS A 8 -1.477 -7.746 -0.936 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.818 -5.628 -1.769 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.295 -5.486 -1.357 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.116 -4.646 -2.351 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.882 -5.452 -3.401 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.477 -4.544 -4.411 1.00 0.00 N -ATOM 145 H LYS A 8 -3.145 -3.750 -0.132 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.367 -6.574 0.111 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.512 -4.730 -2.271 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.736 -6.467 -2.462 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.729 -6.465 -1.296 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.344 -4.993 -0.387 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.826 -4.068 -1.791 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.454 -3.961 -2.867 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -6.208 -6.131 -3.888 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.667 -6.022 -2.896 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -8.054 -3.846 -3.961 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -6.746 -4.071 -4.926 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -8.047 -5.062 -5.068 1.00 0.00 H -ATOM 158 N ASP A 9 -0.606 -5.739 -1.457 1.00 0.00 N -ATOM 159 CA ASP A 9 0.739 -6.198 -1.825 1.00 0.00 C -ATOM 160 C ASP A 9 1.651 -6.499 -0.611 1.00 0.00 C -ATOM 161 O ASP A 9 2.838 -6.780 -0.797 1.00 0.00 O -ATOM 162 CB ASP A 9 1.370 -5.155 -2.771 1.00 0.00 C -ATOM 163 CG ASP A 9 1.177 -5.531 -4.240 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.135 -5.136 -4.811 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.077 -6.215 -4.775 1.00 0.00 O -ATOM 166 H ASP A 9 -0.801 -4.748 -1.533 1.00 0.00 H -ATOM 167 HA ASP A 9 0.652 -7.136 -2.376 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.911 -4.202 -2.593 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.441 -5.088 -2.597 1.00 0.00 H -ATOM 170 N GLY A 10 1.167 -6.398 0.637 1.00 0.00 N -ATOM 171 CA GLY A 10 1.944 -6.694 1.851 1.00 0.00 C -ATOM 172 C GLY A 10 2.520 -5.474 2.584 1.00 0.00 C -ATOM 173 O GLY A 10 3.356 -5.650 3.475 1.00 0.00 O -ATOM 174 H GLY A 10 0.189 -6.147 0.762 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.294 -7.220 2.549 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.770 -7.362 1.607 1.00 0.00 H -ATOM 177 N GLY A 11 2.100 -4.254 2.229 1.00 0.00 N -ATOM 178 CA GLY A 11 2.528 -2.992 2.832 1.00 0.00 C -ATOM 179 C GLY A 11 4.060 -2.837 2.922 1.00 0.00 C -ATOM 180 O GLY A 11 4.712 -2.686 1.888 1.00 0.00 O -ATOM 181 H GLY A 11 1.508 -4.184 1.407 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.150 -2.182 2.211 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.067 -2.896 3.812 1.00 0.00 H -ATOM 184 N PRO A 12 4.678 -2.872 4.125 1.00 0.00 N -ATOM 185 CA PRO A 12 6.137 -2.792 4.262 1.00 0.00 C -ATOM 186 C PRO A 12 6.903 -3.861 3.466 1.00 0.00 C -ATOM 187 O PRO A 12 8.043 -3.629 3.069 1.00 0.00 O -ATOM 188 CB PRO A 12 6.429 -2.936 5.761 1.00 0.00 C -ATOM 189 CG PRO A 12 5.120 -2.531 6.433 1.00 0.00 C -ATOM 190 CD PRO A 12 4.058 -2.991 5.436 1.00 0.00 C -ATOM 191 HA PRO A 12 6.463 -1.808 3.926 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.685 -3.949 6.004 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.254 -2.292 6.069 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.002 -3.028 7.377 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.080 -1.447 6.534 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.779 -4.009 5.628 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.172 -2.363 5.530 1.00 0.00 H -ATOM 198 N SER A 13 6.278 -5.017 3.209 1.00 0.00 N -ATOM 199 CA SER A 13 6.884 -6.142 2.489 1.00 0.00 C -ATOM 200 C SER A 13 6.737 -6.043 0.960 1.00 0.00 C -ATOM 201 O SER A 13 7.147 -6.960 0.254 1.00 0.00 O -ATOM 202 CB SER A 13 6.306 -7.461 3.021 1.00 0.00 C -ATOM 203 OG SER A 13 6.621 -7.599 4.395 1.00 0.00 O -ATOM 204 H SER A 13 5.320 -5.131 3.531 1.00 0.00 H -ATOM 205 HA SER A 13 7.953 -6.155 2.698 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.240 -7.459 2.898 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.742 -8.301 2.479 1.00 0.00 H -ATOM 208 HG SER A 13 5.808 -7.714 4.892 1.00 0.00 H -ATOM 209 N SER A 14 6.176 -4.942 0.434 1.00 0.00 N -ATOM 210 CA SER A 14 5.884 -4.748 -0.996 1.00 0.00 C -ATOM 211 C SER A 14 7.004 -4.076 -1.802 1.00 0.00 C -ATOM 212 O SER A 14 6.860 -3.890 -3.006 1.00 0.00 O -ATOM 213 CB SER A 14 4.636 -3.874 -1.140 1.00 0.00 C -ATOM 214 OG SER A 14 3.598 -4.383 -0.343 1.00 0.00 O -ATOM 215 H SER A 14 5.795 -4.245 1.069 1.00 0.00 H -ATOM 216 HA SER A 14 5.675 -5.716 -1.456 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.865 -2.873 -0.828 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.320 -3.854 -2.182 1.00 0.00 H -ATOM 219 HG SER A 14 3.437 -5.331 -0.578 1.00 0.00 H -ATOM 220 N GLY A 15 8.091 -3.636 -1.156 1.00 0.00 N -ATOM 221 CA GLY A 15 9.222 -2.961 -1.807 1.00 0.00 C -ATOM 222 C GLY A 15 8.979 -1.499 -2.225 1.00 0.00 C -ATOM 223 O GLY A 15 9.937 -0.811 -2.570 1.00 0.00 O -ATOM 224 H GLY A 15 8.136 -3.819 -0.163 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.080 -2.981 -1.136 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.494 -3.517 -2.706 1.00 0.00 H -ATOM 227 N ARG A 16 7.733 -1.005 -2.166 1.00 0.00 N -ATOM 228 CA ARG A 16 7.340 0.378 -2.469 1.00 0.00 C -ATOM 229 C ARG A 16 6.864 1.090 -1.189 1.00 0.00 C -ATOM 230 O ARG A 16 6.138 0.469 -0.408 1.00 0.00 O -ATOM 231 CB ARG A 16 6.242 0.351 -3.552 1.00 0.00 C -ATOM 232 CG ARG A 16 5.909 1.749 -4.102 1.00 0.00 C -ATOM 233 CD ARG A 16 4.828 1.696 -5.186 1.00 0.00 C -ATOM 234 NE ARG A 16 4.677 3.011 -5.838 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.080 3.264 -6.997 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.453 2.326 -7.670 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.108 4.474 -7.504 1.00 0.00 N -ATOM 238 H ARG A 16 7.011 -1.654 -1.889 1.00 0.00 H -ATOM 239 HA ARG A 16 8.211 0.896 -2.870 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.577 -0.266 -4.364 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.337 -0.100 -3.141 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.561 2.365 -3.295 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.814 2.176 -4.534 1.00 0.00 H -ATOM 244 HD2 ARG A 16 5.104 0.967 -5.923 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.881 1.398 -4.732 1.00 0.00 H -ATOM 246 HE ARG A 16 5.099 3.795 -5.368 1.00 0.00 H -ATOM 247 HH11 ARG A 16 3.423 1.404 -7.274 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.006 2.520 -8.548 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.586 5.218 -7.026 1.00 0.00 H -ATOM 250 HH22 ARG A 16 3.669 4.656 -8.390 1.00 0.00 H -ATOM 251 N PRO A 17 7.209 2.375 -0.963 1.00 0.00 N -ATOM 252 CA PRO A 17 6.738 3.134 0.201 1.00 0.00 C -ATOM 253 C PRO A 17 5.208 3.346 0.203 1.00 0.00 C -ATOM 254 O PRO A 17 4.576 3.259 -0.855 1.00 0.00 O -ATOM 255 CB PRO A 17 7.490 4.471 0.149 1.00 0.00 C -ATOM 256 CG PRO A 17 7.846 4.634 -1.326 1.00 0.00 C -ATOM 257 CD PRO A 17 8.110 3.196 -1.761 1.00 0.00 C -ATOM 258 HA PRO A 17 7.021 2.596 1.106 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.862 5.275 0.482 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.407 4.394 0.736 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.031 5.063 -1.877 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.720 5.268 -1.469 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.900 3.076 -2.806 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.141 2.925 -1.531 1.00 0.00 H -ATOM 265 N PRO A 18 4.607 3.648 1.372 1.00 0.00 N -ATOM 266 CA PRO A 18 3.168 3.868 1.495 1.00 0.00 C -ATOM 267 C PRO A 18 2.728 5.176 0.813 1.00 0.00 C -ATOM 268 O PRO A 18 3.421 6.189 0.932 1.00 0.00 O -ATOM 269 CB PRO A 18 2.880 3.905 2.999 1.00 0.00 C -ATOM 270 CG PRO A 18 4.202 4.357 3.615 1.00 0.00 C -ATOM 271 CD PRO A 18 5.252 3.767 2.674 1.00 0.00 C -ATOM 272 HA PRO A 18 2.650 3.021 1.056 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.097 4.604 3.221 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.640 2.905 3.351 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.268 5.428 3.640 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.322 3.987 4.633 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.103 4.418 2.610 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.544 2.776 3.024 1.00 0.00 H -ATOM 279 N PRO A 19 1.566 5.189 0.135 1.00 0.00 N -ATOM 280 CA PRO A 19 0.986 6.406 -0.419 1.00 0.00 C -ATOM 281 C PRO A 19 0.340 7.243 0.694 1.00 0.00 C -ATOM 282 O PRO A 19 -0.310 6.698 1.588 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.045 5.908 -1.435 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.542 4.596 -0.823 1.00 0.00 C -ATOM 285 CD PRO A 19 0.688 4.050 -0.100 1.00 0.00 C -ATOM 286 HA PRO A 19 1.751 6.996 -0.927 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.849 6.611 -1.542 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.455 5.698 -2.382 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.344 4.774 -0.133 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.898 3.904 -1.584 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.402 3.603 0.833 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.199 3.327 -0.734 1.00 0.00 H -ATOM 293 N SER A 20 0.480 8.571 0.624 1.00 0.00 N -ATOM 294 CA SER A 20 -0.125 9.511 1.572 1.00 0.00 C -ATOM 295 C SER A 20 -0.770 10.671 0.820 1.00 0.00 C -ATOM 296 O SER A 20 -2.016 10.756 0.905 1.00 0.00 O -ATOM 297 CB SER A 20 0.919 9.961 2.597 1.00 0.00 C -ATOM 298 OG SER A 20 0.248 10.488 3.720 1.00 0.00 O -ATOM 299 OXT SER A 20 -0.011 11.405 0.152 1.00 0.00 O -ATOM 300 H SER A 20 1.013 8.983 -0.129 1.00 0.00 H -ATOM 301 HA SER A 20 -0.928 9.009 2.110 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.519 9.122 2.895 1.00 0.00 H -ATOM 303 HB3 SER A 20 1.582 10.712 2.159 1.00 0.00 H -ATOM 304 HG SER A 20 -0.420 11.104 3.405 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 29 -ATOM 1 N ASN A 1 -8.605 5.735 -1.508 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.571 6.051 -0.495 1.00 0.00 C -ATOM 3 C ASN A 1 -6.164 5.538 -0.832 1.00 0.00 C -ATOM 4 O ASN A 1 -5.240 5.940 -0.139 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.006 5.614 0.920 1.00 0.00 C -ATOM 6 CG ASN A 1 -8.446 6.833 1.721 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -7.636 7.667 2.079 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -9.727 7.012 1.978 1.00 0.00 N -ATOM 9 H1 ASN A 1 -8.317 6.060 -2.422 1.00 0.00 H -ATOM 10 H2 ASN A 1 -8.771 4.738 -1.536 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.471 6.197 -1.263 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.456 7.138 -0.461 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.823 4.923 0.844 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -7.168 5.160 1.453 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -10.461 6.361 1.754 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -9.905 7.847 2.515 1.00 0.00 H -ATOM 17 N LEU A 2 -5.966 4.679 -1.852 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.666 4.117 -2.283 1.00 0.00 C -ATOM 19 C LEU A 2 -4.002 3.168 -1.262 1.00 0.00 C -ATOM 20 O LEU A 2 -3.524 2.099 -1.642 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.717 5.253 -2.748 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.317 5.246 -4.235 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -2.553 3.980 -4.653 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -4.536 5.478 -5.132 1.00 0.00 C -ATOM 25 H LEU A 2 -6.737 4.358 -2.414 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.871 3.489 -3.150 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.203 6.188 -2.545 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.806 5.212 -2.162 1.00 0.00 H -ATOM 29 HG LEU A 2 -2.646 6.094 -4.387 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -1.523 4.249 -4.893 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.534 3.243 -3.853 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.005 3.530 -5.537 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -5.218 4.631 -5.088 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -5.054 6.385 -4.819 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -4.203 5.612 -6.162 1.00 0.00 H -ATOM 36 N TYR A 3 -4.025 3.502 0.030 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.458 2.724 1.133 1.00 0.00 C -ATOM 38 C TYR A 3 -3.964 1.270 1.170 1.00 0.00 C -ATOM 39 O TYR A 3 -3.186 0.358 1.441 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.738 3.456 2.457 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.570 3.419 3.420 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.245 2.219 4.078 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.797 4.577 3.646 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.149 2.170 4.960 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.713 4.539 4.544 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.388 3.333 5.204 1.00 0.00 C -ATOM 47 OH TYR A 3 0.627 3.280 6.107 1.00 0.00 O -ATOM 48 H TYR A 3 -4.367 4.438 0.237 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.377 2.691 0.989 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.966 4.481 2.238 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.614 3.021 2.941 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -2.836 1.333 3.908 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -2.032 5.503 3.135 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -0.891 1.259 5.474 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.128 5.433 4.713 1.00 0.00 H -ATOM 56 HH TYR A 3 0.617 4.042 6.689 1.00 0.00 H -ATOM 57 N ILE A 4 -5.244 1.037 0.838 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.834 -0.306 0.713 1.00 0.00 C -ATOM 59 C ILE A 4 -5.105 -1.123 -0.367 1.00 0.00 C -ATOM 60 O ILE A 4 -4.724 -2.268 -0.130 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.352 -0.235 0.407 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.137 0.689 1.373 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.972 -1.643 0.457 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.547 2.007 0.707 1.00 0.00 C -ATOM 65 H ILE A 4 -5.819 1.844 0.651 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.700 -0.825 1.663 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.482 0.137 -0.611 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.022 0.177 1.699 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.548 0.901 2.265 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.504 -2.298 -0.279 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.845 -2.074 1.451 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.037 -1.590 0.226 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.664 2.587 0.439 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.134 1.802 -0.191 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.164 2.579 1.400 1.00 0.00 H -ATOM 76 N GLN A 5 -4.897 -0.530 -1.550 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.198 -1.155 -2.673 1.00 0.00 C -ATOM 78 C GLN A 5 -2.723 -1.419 -2.333 1.00 0.00 C -ATOM 79 O GLN A 5 -2.200 -2.473 -2.684 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.336 -0.262 -3.917 1.00 0.00 C -ATOM 81 CG GLN A 5 -3.914 -0.964 -5.221 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.086 -1.137 -6.184 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.679 -0.180 -6.653 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -5.471 -2.356 -6.511 1.00 0.00 N -ATOM 85 H GLN A 5 -5.132 0.448 -1.635 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.672 -2.115 -2.879 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.362 0.038 -4.009 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.724 0.632 -3.790 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -3.155 -0.376 -5.701 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -3.469 -1.937 -5.010 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.984 -3.177 -6.199 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -6.221 -2.372 -7.181 1.00 0.00 H -ATOM 93 N TRP A 6 -2.071 -0.497 -1.615 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.715 -0.699 -1.098 1.00 0.00 C -ATOM 95 C TRP A 6 -0.639 -1.865 -0.097 1.00 0.00 C -ATOM 96 O TRP A 6 0.196 -2.757 -0.250 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.203 0.608 -0.484 1.00 0.00 C -ATOM 98 CG TRP A 6 1.201 0.530 0.024 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.311 0.523 -0.750 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.672 0.404 1.403 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.428 0.392 0.050 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.094 0.319 1.381 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.048 0.358 2.668 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.864 0.210 2.546 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.810 0.242 3.848 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.214 0.174 3.791 1.00 0.00 C -ATOM 107 H TRP A 6 -2.559 0.372 -1.412 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.064 -0.958 -1.933 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.249 1.374 -1.234 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.852 0.901 0.340 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.315 0.589 -1.829 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.395 0.361 -0.282 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.028 0.427 2.725 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.940 0.156 2.473 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.316 0.221 4.810 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.792 0.099 4.701 1.00 0.00 H -ATOM 117 N LEU A 7 -1.536 -1.900 0.899 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.617 -3.007 1.855 1.00 0.00 C -ATOM 119 C LEU A 7 -1.901 -4.357 1.181 1.00 0.00 C -ATOM 120 O LEU A 7 -1.360 -5.362 1.635 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.675 -2.710 2.932 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.221 -1.687 3.991 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.385 -1.386 4.937 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.031 -2.194 4.815 1.00 0.00 C -ATOM 125 H LEU A 7 -2.191 -1.126 0.991 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.645 -3.114 2.334 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.552 -2.327 2.447 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.922 -3.640 3.447 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.930 -0.760 3.500 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.245 -1.036 4.365 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.661 -2.286 5.488 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.096 -0.608 5.644 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.172 -3.243 5.075 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.114 -2.086 4.240 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.929 -1.613 5.731 1.00 0.00 H -ATOM 136 N LYS A 8 -2.692 -4.379 0.094 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.020 -5.583 -0.687 1.00 0.00 C -ATOM 138 C LYS A 8 -1.785 -6.364 -1.155 1.00 0.00 C -ATOM 139 O LYS A 8 -1.838 -7.588 -1.203 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.879 -5.189 -1.903 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.659 -6.371 -2.495 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.247 -6.001 -3.867 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.373 -6.957 -4.272 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.632 -6.645 -3.554 1.00 0.00 N -ATOM 145 H LYS A 8 -3.148 -3.504 -0.155 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.595 -6.254 -0.047 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.579 -4.436 -1.597 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.229 -4.772 -2.673 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -3.997 -7.208 -2.609 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.454 -6.641 -1.801 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.637 -5.002 -3.821 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -4.447 -6.061 -4.607 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -6.542 -6.870 -5.328 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.057 -7.983 -4.060 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -7.483 -6.699 -2.554 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.939 -5.708 -3.782 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -8.360 -7.298 -3.811 1.00 0.00 H -ATOM 158 N ASP A 9 -0.706 -5.663 -1.517 1.00 0.00 N -ATOM 159 CA ASP A 9 0.544 -6.266 -1.987 1.00 0.00 C -ATOM 160 C ASP A 9 1.293 -6.977 -0.843 1.00 0.00 C -ATOM 161 O ASP A 9 1.650 -8.148 -0.961 1.00 0.00 O -ATOM 162 CB ASP A 9 1.392 -5.171 -2.653 1.00 0.00 C -ATOM 163 CG ASP A 9 2.434 -5.757 -3.608 1.00 0.00 C -ATOM 164 OD1 ASP A 9 3.525 -6.132 -3.128 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.117 -5.814 -4.817 1.00 0.00 O -ATOM 166 H ASP A 9 -0.755 -4.653 -1.452 1.00 0.00 H -ATOM 167 HA ASP A 9 0.304 -7.017 -2.743 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.744 -4.518 -3.205 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.878 -4.560 -1.892 1.00 0.00 H -ATOM 170 N GLY A 10 1.469 -6.281 0.289 1.00 0.00 N -ATOM 171 CA GLY A 10 2.142 -6.803 1.484 1.00 0.00 C -ATOM 172 C GLY A 10 2.644 -5.740 2.469 1.00 0.00 C -ATOM 173 O GLY A 10 3.613 -5.985 3.194 1.00 0.00 O -ATOM 174 H GLY A 10 1.155 -5.323 0.250 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.445 -7.452 2.016 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.995 -7.408 1.175 1.00 0.00 H -ATOM 177 N GLY A 11 2.028 -4.548 2.496 1.00 0.00 N -ATOM 178 CA GLY A 11 2.465 -3.422 3.328 1.00 0.00 C -ATOM 179 C GLY A 11 3.961 -3.104 3.147 1.00 0.00 C -ATOM 180 O GLY A 11 4.428 -3.060 2.005 1.00 0.00 O -ATOM 181 H GLY A 11 1.229 -4.418 1.894 1.00 0.00 H -ATOM 182 HA2 GLY A 11 1.897 -2.535 3.047 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.242 -3.663 4.366 1.00 0.00 H -ATOM 184 N PRO A 12 4.744 -2.895 4.229 1.00 0.00 N -ATOM 185 CA PRO A 12 6.184 -2.626 4.136 1.00 0.00 C -ATOM 186 C PRO A 12 6.990 -3.695 3.379 1.00 0.00 C -ATOM 187 O PRO A 12 8.035 -3.383 2.813 1.00 0.00 O -ATOM 188 CB PRO A 12 6.687 -2.517 5.581 1.00 0.00 C -ATOM 189 CG PRO A 12 5.435 -2.200 6.394 1.00 0.00 C -ATOM 190 CD PRO A 12 4.325 -2.910 5.621 1.00 0.00 C -ATOM 191 HA PRO A 12 6.325 -1.668 3.636 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.124 -3.443 5.902 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.439 -1.733 5.682 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.516 -2.586 7.392 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.256 -1.124 6.386 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.214 -3.919 5.968 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.379 -2.387 5.767 1.00 0.00 H -ATOM 198 N SER A 13 6.507 -4.946 3.334 1.00 0.00 N -ATOM 199 CA SER A 13 7.187 -6.064 2.673 1.00 0.00 C -ATOM 200 C SER A 13 7.029 -6.063 1.139 1.00 0.00 C -ATOM 201 O SER A 13 7.451 -7.024 0.494 1.00 0.00 O -ATOM 202 CB SER A 13 6.706 -7.387 3.280 1.00 0.00 C -ATOM 203 OG SER A 13 7.516 -8.439 2.801 1.00 0.00 O -ATOM 204 H SER A 13 5.587 -5.127 3.723 1.00 0.00 H -ATOM 205 HA SER A 13 8.254 -5.982 2.881 1.00 0.00 H -ATOM 206 HB2 SER A 13 6.777 -7.338 4.350 1.00 0.00 H -ATOM 207 HB3 SER A 13 5.667 -7.570 3.006 1.00 0.00 H -ATOM 208 HG SER A 13 7.599 -8.303 1.840 1.00 0.00 H -ATOM 209 N SER A 14 6.431 -5.007 0.568 1.00 0.00 N -ATOM 210 CA SER A 14 6.122 -4.843 -0.863 1.00 0.00 C -ATOM 211 C SER A 14 7.243 -4.167 -1.670 1.00 0.00 C -ATOM 212 O SER A 14 7.126 -4.014 -2.885 1.00 0.00 O -ATOM 213 CB SER A 14 4.869 -3.968 -1.035 1.00 0.00 C -ATOM 214 OG SER A 14 3.852 -4.282 -0.111 1.00 0.00 O -ATOM 215 H SER A 14 6.092 -4.293 1.198 1.00 0.00 H -ATOM 216 HA SER A 14 5.916 -5.820 -1.304 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.148 -2.940 -0.902 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.489 -4.086 -2.049 1.00 0.00 H -ATOM 219 HG SER A 14 4.047 -3.794 0.729 1.00 0.00 H -ATOM 220 N GLY A 15 8.295 -3.658 -1.015 1.00 0.00 N -ATOM 221 CA GLY A 15 9.401 -2.924 -1.649 1.00 0.00 C -ATOM 222 C GLY A 15 9.095 -1.469 -2.050 1.00 0.00 C -ATOM 223 O GLY A 15 10.027 -0.688 -2.223 1.00 0.00 O -ATOM 224 H GLY A 15 8.323 -3.798 -0.013 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.254 -2.914 -0.971 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.705 -3.456 -2.552 1.00 0.00 H -ATOM 227 N ARG A 16 7.815 -1.082 -2.167 1.00 0.00 N -ATOM 228 CA ARG A 16 7.364 0.285 -2.472 1.00 0.00 C -ATOM 229 C ARG A 16 6.898 1.010 -1.194 1.00 0.00 C -ATOM 230 O ARG A 16 6.164 0.402 -0.414 1.00 0.00 O -ATOM 231 CB ARG A 16 6.227 0.209 -3.508 1.00 0.00 C -ATOM 232 CG ARG A 16 5.864 1.592 -4.069 1.00 0.00 C -ATOM 233 CD ARG A 16 4.667 1.536 -5.024 1.00 0.00 C -ATOM 234 NE ARG A 16 4.606 2.733 -5.883 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.305 3.981 -5.540 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.982 4.326 -4.313 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.338 4.924 -6.455 1.00 0.00 N -ATOM 238 H ARG A 16 7.121 -1.806 -2.050 1.00 0.00 H -ATOM 239 HA ARG A 16 8.203 0.825 -2.912 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.538 -0.422 -4.318 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.345 -0.244 -3.049 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.623 2.244 -3.251 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.729 1.984 -4.604 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.756 0.665 -5.645 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.744 1.430 -4.452 1.00 0.00 H -ATOM 246 HE ARG A 16 4.837 2.583 -6.851 1.00 0.00 H -ATOM 247 HH11 ARG A 16 3.989 3.631 -3.582 1.00 0.00 H -ATOM 248 HH12 ARG A 16 3.762 5.278 -4.085 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.596 4.707 -7.402 1.00 0.00 H -ATOM 250 HH22 ARG A 16 4.116 5.872 -6.209 1.00 0.00 H -ATOM 251 N PRO A 17 7.232 2.303 -0.989 1.00 0.00 N -ATOM 252 CA PRO A 17 6.749 3.076 0.161 1.00 0.00 C -ATOM 253 C PRO A 17 5.224 3.306 0.130 1.00 0.00 C -ATOM 254 O PRO A 17 4.612 3.230 -0.945 1.00 0.00 O -ATOM 255 CB PRO A 17 7.515 4.405 0.107 1.00 0.00 C -ATOM 256 CG PRO A 17 7.835 4.571 -1.375 1.00 0.00 C -ATOM 257 CD PRO A 17 8.095 3.134 -1.819 1.00 0.00 C -ATOM 258 HA PRO A 17 7.009 2.547 1.078 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.905 5.214 0.461 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.445 4.313 0.672 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.005 4.997 -1.906 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.703 5.210 -1.537 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.847 3.012 -2.856 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.137 2.873 -1.630 1.00 0.00 H -ATOM 265 N PRO A 18 4.607 3.621 1.290 1.00 0.00 N -ATOM 266 CA PRO A 18 3.173 3.861 1.391 1.00 0.00 C -ATOM 267 C PRO A 18 2.768 5.155 0.668 1.00 0.00 C -ATOM 268 O PRO A 18 3.536 6.122 0.654 1.00 0.00 O -ATOM 269 CB PRO A 18 2.862 3.940 2.889 1.00 0.00 C -ATOM 270 CG PRO A 18 4.175 4.424 3.496 1.00 0.00 C -ATOM 271 CD PRO A 18 5.230 3.775 2.601 1.00 0.00 C -ATOM 272 HA PRO A 18 2.647 3.013 0.960 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.070 4.638 3.081 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.631 2.946 3.269 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.245 5.494 3.460 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.280 4.116 4.536 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.097 4.404 2.530 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.490 2.793 2.996 1.00 0.00 H -ATOM 279 N PRO A 19 1.558 5.206 0.088 1.00 0.00 N -ATOM 280 CA PRO A 19 1.036 6.414 -0.536 1.00 0.00 C -ATOM 281 C PRO A 19 0.580 7.431 0.525 1.00 0.00 C -ATOM 282 O PRO A 19 0.139 7.063 1.615 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.114 5.918 -1.419 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.641 4.693 -0.668 1.00 0.00 C -ATOM 285 CD PRO A 19 0.599 4.117 0.004 1.00 0.00 C -ATOM 286 HA PRO A 19 1.800 6.874 -1.164 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.876 6.667 -1.512 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.288 5.602 -2.384 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.374 4.978 0.062 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.084 3.963 -1.347 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.357 3.758 0.986 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.015 3.321 -0.613 1.00 0.00 H -ATOM 293 N SER A 20 0.671 8.718 0.173 1.00 0.00 N -ATOM 294 CA SER A 20 0.166 9.881 0.915 1.00 0.00 C -ATOM 295 C SER A 20 -0.789 10.667 0.023 1.00 0.00 C -ATOM 296 O SER A 20 -1.886 10.995 0.519 1.00 0.00 O -ATOM 297 CB SER A 20 1.319 10.782 1.355 1.00 0.00 C -ATOM 298 OG SER A 20 2.016 10.129 2.391 1.00 0.00 O -ATOM 299 OXT SER A 20 -0.396 10.900 -1.142 1.00 0.00 O -ATOM 300 H SER A 20 0.997 8.943 -0.756 1.00 0.00 H -ATOM 301 HA SER A 20 -0.403 9.569 1.792 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.979 10.958 0.527 1.00 0.00 H -ATOM 303 HB3 SER A 20 0.933 11.738 1.713 1.00 0.00 H -ATOM 304 HG SER A 20 1.901 9.185 2.245 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 30 -ATOM 1 N ASN A 1 -6.460 7.364 0.613 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.483 6.556 -0.103 1.00 0.00 C -ATOM 3 C ASN A 1 -6.889 5.287 -0.732 1.00 0.00 C -ATOM 4 O ASN A 1 -7.475 4.227 -0.571 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.236 7.406 -1.144 1.00 0.00 C -ATOM 6 CG ASN A 1 -7.303 7.780 -2.289 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -6.233 8.314 -2.043 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -7.597 7.393 -3.514 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.878 6.774 1.192 1.00 0.00 H -ATOM 10 H2 ASN A 1 -5.887 7.854 -0.067 1.00 0.00 H -ATOM 11 H3 ASN A 1 -6.912 8.053 1.197 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.216 6.208 0.628 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -9.064 6.843 -1.530 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.607 8.320 -0.677 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -8.429 6.875 -3.745 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -6.919 7.643 -4.219 1.00 0.00 H -ATOM 17 N LEU A 2 -5.741 5.358 -1.420 1.00 0.00 N -ATOM 18 CA LEU A 2 -5.100 4.220 -2.108 1.00 0.00 C -ATOM 19 C LEU A 2 -4.341 3.246 -1.180 1.00 0.00 C -ATOM 20 O LEU A 2 -3.776 2.254 -1.644 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.211 4.795 -3.233 1.00 0.00 C -ATOM 22 CG LEU A 2 -5.026 4.979 -4.531 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.502 6.140 -5.376 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -5.004 3.695 -5.367 1.00 0.00 C -ATOM 25 H LEU A 2 -5.329 6.267 -1.601 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.882 3.615 -2.569 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.822 5.746 -2.923 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.367 4.131 -3.434 1.00 0.00 H -ATOM 29 HG LEU A 2 -6.062 5.205 -4.277 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -4.492 7.057 -4.785 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.492 5.927 -5.725 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -5.154 6.287 -6.238 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -3.983 3.466 -5.675 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -5.397 2.860 -4.791 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -5.619 3.822 -6.259 1.00 0.00 H -ATOM 36 N TYR A 3 -4.369 3.488 0.136 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.657 2.701 1.145 1.00 0.00 C -ATOM 38 C TYR A 3 -4.098 1.228 1.178 1.00 0.00 C -ATOM 39 O TYR A 3 -3.268 0.347 1.389 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.837 3.357 2.523 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.642 3.161 3.434 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.458 1.945 4.120 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.695 4.196 3.573 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.331 1.761 4.945 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.570 4.016 4.396 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.383 2.798 5.082 1.00 0.00 C -ATOM 47 OH TYR A 3 0.699 2.647 5.890 1.00 0.00 O -ATOM 48 H TYR A 3 -4.905 4.281 0.443 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.597 2.723 0.895 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.991 4.410 2.383 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.732 2.959 3.008 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.179 1.149 4.003 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.824 5.137 3.055 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.180 0.826 5.463 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.151 4.808 4.521 1.00 0.00 H -ATOM 56 HH TYR A 3 0.441 2.460 6.795 1.00 0.00 H -ATOM 57 N ILE A 4 -5.388 0.955 0.919 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.920 -0.410 0.824 1.00 0.00 C -ATOM 59 C ILE A 4 -5.170 -1.190 -0.266 1.00 0.00 C -ATOM 60 O ILE A 4 -4.654 -2.276 -0.009 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.449 -0.413 0.570 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.252 0.393 1.623 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.973 -1.860 0.555 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.642 1.792 1.136 1.00 0.00 C -ATOM 65 H ILE A 4 -6.009 1.734 0.758 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.730 -0.915 1.773 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.642 0.008 -0.418 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.148 -0.149 1.858 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.684 0.477 2.549 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.552 -2.404 -0.285 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.704 -2.366 1.485 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.059 -1.868 0.448 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.779 2.452 1.188 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.018 1.751 0.113 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.431 2.192 1.775 1.00 0.00 H -ATOM 76 N GLN A 5 -5.097 -0.628 -1.481 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.416 -1.240 -2.624 1.00 0.00 C -ATOM 78 C GLN A 5 -2.926 -1.482 -2.349 1.00 0.00 C -ATOM 79 O GLN A 5 -2.406 -2.535 -2.707 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.601 -0.369 -3.878 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.909 -1.238 -5.106 1.00 0.00 C -ATOM 82 CD GLN A 5 -4.680 -0.468 -6.398 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.535 0.265 -6.866 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -3.518 -0.604 -7.008 1.00 0.00 N -ATOM 85 H GLN A 5 -5.464 0.307 -1.591 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.871 -2.214 -2.798 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.414 0.312 -3.716 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.691 0.207 -4.059 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -4.269 -2.099 -5.094 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.953 -1.554 -5.065 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -2.791 -1.203 -6.654 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -3.429 -0.080 -7.861 1.00 0.00 H -ATOM 93 N TRP A 6 -2.259 -0.532 -1.681 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.876 -0.690 -1.231 1.00 0.00 C -ATOM 95 C TRP A 6 -0.716 -1.832 -0.211 1.00 0.00 C -ATOM 96 O TRP A 6 0.176 -2.668 -0.361 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.374 0.647 -0.679 1.00 0.00 C -ATOM 98 CG TRP A 6 1.038 0.612 -0.187 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.141 0.697 -0.963 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.520 0.464 1.184 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.265 0.595 -0.168 1.00 0.00 N -ATOM 102 CE2 TRP A 6 2.944 0.448 1.159 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.902 0.355 2.448 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.724 0.344 2.317 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.675 0.244 3.623 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.080 0.249 3.561 1.00 0.00 C -ATOM 107 H TRP A 6 -2.752 0.326 -1.458 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.260 -0.952 -2.093 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.441 1.380 -1.459 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -1.015 0.962 0.144 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.138 0.826 -2.038 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.223 0.685 -0.491 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.175 0.378 2.506 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.802 0.341 2.239 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.187 0.174 4.582 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.663 0.185 4.467 1.00 0.00 H -ATOM 117 N LEU A 7 -1.599 -1.914 0.796 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.593 -3.012 1.768 1.00 0.00 C -ATOM 119 C LEU A 7 -1.846 -4.384 1.129 1.00 0.00 C -ATOM 120 O LEU A 7 -1.193 -5.345 1.538 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.602 -2.751 2.902 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.105 -1.780 3.989 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.232 -1.537 4.996 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.894 -2.319 4.764 1.00 0.00 C -ATOM 125 H LEU A 7 -2.301 -1.181 0.888 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.591 -3.074 2.189 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.494 -2.341 2.469 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.838 -3.699 3.387 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.835 -0.833 3.527 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.108 -1.139 4.483 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.500 -2.472 5.489 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.913 -0.822 5.752 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.122 -3.301 5.179 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.027 -2.398 4.112 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.639 -1.639 5.576 1.00 0.00 H -ATOM 136 N LYS A 8 -2.722 -4.491 0.113 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.959 -5.749 -0.626 1.00 0.00 C -ATOM 138 C LYS A 8 -1.683 -6.372 -1.201 1.00 0.00 C -ATOM 139 O LYS A 8 -1.595 -7.593 -1.269 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.007 -5.555 -1.743 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.443 -5.846 -1.265 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.440 -4.718 -1.552 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.997 -4.739 -2.978 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.865 -3.560 -3.222 1.00 0.00 N -ATOM 145 H LYS A 8 -3.252 -3.655 -0.124 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.328 -6.495 0.081 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.958 -4.540 -2.087 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.787 -6.243 -2.562 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.788 -6.734 -1.758 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.439 -6.011 -0.187 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -7.260 -4.808 -0.866 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.951 -3.767 -1.378 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -6.181 -4.725 -3.675 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.572 -5.660 -3.111 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -8.644 -3.562 -2.574 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.341 -2.706 -3.093 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -8.232 -3.580 -4.164 1.00 0.00 H -ATOM 158 N ASP A 9 -0.696 -5.556 -1.580 1.00 0.00 N -ATOM 159 CA ASP A 9 0.598 -6.026 -2.075 1.00 0.00 C -ATOM 160 C ASP A 9 1.519 -6.577 -0.966 1.00 0.00 C -ATOM 161 O ASP A 9 2.545 -7.185 -1.279 1.00 0.00 O -ATOM 162 CB ASP A 9 1.286 -4.862 -2.807 1.00 0.00 C -ATOM 163 CG ASP A 9 2.136 -5.346 -3.982 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.579 -5.513 -5.084 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.373 -5.444 -3.814 1.00 0.00 O -ATOM 166 H ASP A 9 -0.850 -4.558 -1.514 1.00 0.00 H -ATOM 167 HA ASP A 9 0.421 -6.829 -2.794 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.534 -4.192 -3.177 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.907 -4.305 -2.103 1.00 0.00 H -ATOM 170 N GLY A 10 1.200 -6.338 0.319 1.00 0.00 N -ATOM 171 CA GLY A 10 1.994 -6.734 1.492 1.00 0.00 C -ATOM 172 C GLY A 10 2.551 -5.569 2.334 1.00 0.00 C -ATOM 173 O GLY A 10 3.261 -5.808 3.315 1.00 0.00 O -ATOM 174 H GLY A 10 0.312 -5.879 0.502 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.360 -7.337 2.142 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.835 -7.356 1.186 1.00 0.00 H -ATOM 177 N GLY A 11 2.238 -4.314 1.983 1.00 0.00 N -ATOM 178 CA GLY A 11 2.630 -3.135 2.756 1.00 0.00 C -ATOM 179 C GLY A 11 4.156 -2.921 2.790 1.00 0.00 C -ATOM 180 O GLY A 11 4.786 -2.907 1.729 1.00 0.00 O -ATOM 181 H GLY A 11 1.725 -4.177 1.122 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.172 -2.252 2.310 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.237 -3.250 3.763 1.00 0.00 H -ATOM 184 N PRO A 12 4.785 -2.743 3.974 1.00 0.00 N -ATOM 185 CA PRO A 12 6.237 -2.551 4.077 1.00 0.00 C -ATOM 186 C PRO A 12 7.066 -3.702 3.485 1.00 0.00 C -ATOM 187 O PRO A 12 8.207 -3.486 3.077 1.00 0.00 O -ATOM 188 CB PRO A 12 6.543 -2.392 5.572 1.00 0.00 C -ATOM 189 CG PRO A 12 5.203 -2.021 6.203 1.00 0.00 C -ATOM 190 CD PRO A 12 4.182 -2.709 5.300 1.00 0.00 C -ATOM 191 HA PRO A 12 6.501 -1.628 3.560 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.913 -3.312 5.983 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.291 -1.616 5.745 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.137 -2.391 7.208 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.065 -0.941 6.157 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.987 -3.705 5.648 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.247 -2.149 5.311 1.00 0.00 H -ATOM 198 N SER A 13 6.502 -4.917 3.405 1.00 0.00 N -ATOM 199 CA SER A 13 7.196 -6.128 2.940 1.00 0.00 C -ATOM 200 C SER A 13 7.128 -6.326 1.416 1.00 0.00 C -ATOM 201 O SER A 13 7.334 -7.437 0.931 1.00 0.00 O -ATOM 202 CB SER A 13 6.674 -7.367 3.682 1.00 0.00 C -ATOM 203 OG SER A 13 6.833 -7.217 5.081 1.00 0.00 O -ATOM 204 H SER A 13 5.524 -4.999 3.654 1.00 0.00 H -ATOM 205 HA SER A 13 8.254 -6.034 3.186 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.633 -7.499 3.458 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.251 -8.238 3.368 1.00 0.00 H -ATOM 208 HG SER A 13 6.115 -6.675 5.416 1.00 0.00 H -ATOM 209 N SER A 14 6.854 -5.257 0.662 1.00 0.00 N -ATOM 210 CA SER A 14 6.584 -5.293 -0.785 1.00 0.00 C -ATOM 211 C SER A 14 7.566 -4.459 -1.616 1.00 0.00 C -ATOM 212 O SER A 14 7.367 -4.289 -2.817 1.00 0.00 O -ATOM 213 CB SER A 14 5.146 -4.838 -1.031 1.00 0.00 C -ATOM 214 OG SER A 14 4.277 -5.620 -0.252 1.00 0.00 O -ATOM 215 H SER A 14 6.601 -4.410 1.157 1.00 0.00 H -ATOM 216 HA SER A 14 6.658 -6.321 -1.144 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.044 -3.806 -0.757 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.908 -4.937 -2.086 1.00 0.00 H -ATOM 219 HG SER A 14 3.762 -6.253 -0.814 1.00 0.00 H -ATOM 220 N GLY A 15 8.616 -3.911 -0.986 1.00 0.00 N -ATOM 221 CA GLY A 15 9.650 -3.115 -1.655 1.00 0.00 C -ATOM 222 C GLY A 15 9.148 -1.778 -2.215 1.00 0.00 C -ATOM 223 O GLY A 15 9.705 -1.282 -3.192 1.00 0.00 O -ATOM 224 H GLY A 15 8.720 -4.130 -0.003 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.451 -2.904 -0.947 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.069 -3.693 -2.479 1.00 0.00 H -ATOM 227 N ARG A 16 8.090 -1.203 -1.622 1.00 0.00 N -ATOM 228 CA ARG A 16 7.417 0.014 -2.096 1.00 0.00 C -ATOM 229 C ARG A 16 6.924 0.888 -0.926 1.00 0.00 C -ATOM 230 O ARG A 16 6.280 0.358 -0.018 1.00 0.00 O -ATOM 231 CB ARG A 16 6.269 -0.371 -3.052 1.00 0.00 C -ATOM 232 CG ARG A 16 5.250 -1.359 -2.458 1.00 0.00 C -ATOM 233 CD ARG A 16 4.104 -1.695 -3.419 1.00 0.00 C -ATOM 234 NE ARG A 16 4.341 -2.957 -4.134 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.904 -3.201 -5.305 1.00 0.00 C -ATOM 236 NH1 ARG A 16 5.427 -2.257 -6.053 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.910 -4.436 -5.734 1.00 0.00 N -ATOM 238 H ARG A 16 7.706 -1.667 -0.809 1.00 0.00 H -ATOM 239 HA ARG A 16 8.145 0.582 -2.674 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.747 0.525 -3.327 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.708 -0.821 -3.943 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.762 -2.268 -2.207 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.813 -0.934 -1.563 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.194 -1.780 -2.857 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.933 -0.873 -4.115 1.00 0.00 H -ATOM 246 HE ARG A 16 3.985 -3.821 -3.714 1.00 0.00 H -ATOM 247 HH11 ARG A 16 5.402 -1.317 -5.706 1.00 0.00 H -ATOM 248 HH12 ARG A 16 5.836 -2.486 -6.938 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.381 -5.092 -5.130 1.00 0.00 H -ATOM 250 HH22 ARG A 16 5.299 -4.728 -6.606 1.00 0.00 H -ATOM 251 N PRO A 17 7.173 2.212 -0.928 1.00 0.00 N -ATOM 252 CA PRO A 17 6.709 3.107 0.135 1.00 0.00 C -ATOM 253 C PRO A 17 5.179 3.304 0.093 1.00 0.00 C -ATOM 254 O PRO A 17 4.572 3.105 -0.963 1.00 0.00 O -ATOM 255 CB PRO A 17 7.453 4.424 -0.105 1.00 0.00 C -ATOM 256 CG PRO A 17 7.690 4.435 -1.615 1.00 0.00 C -ATOM 257 CD PRO A 17 7.884 2.960 -1.955 1.00 0.00 C -ATOM 258 HA PRO A 17 6.996 2.696 1.103 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.854 5.262 0.195 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.414 4.395 0.413 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.842 4.840 -2.134 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.568 5.026 -1.881 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.475 2.744 -2.923 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.945 2.707 -1.917 1.00 0.00 H -ATOM 265 N PRO A 18 4.547 3.703 1.215 1.00 0.00 N -ATOM 266 CA PRO A 18 3.107 3.958 1.273 1.00 0.00 C -ATOM 267 C PRO A 18 2.718 5.246 0.522 1.00 0.00 C -ATOM 268 O PRO A 18 3.537 6.161 0.405 1.00 0.00 O -ATOM 269 CB PRO A 18 2.775 4.060 2.766 1.00 0.00 C -ATOM 270 CG PRO A 18 4.078 4.556 3.393 1.00 0.00 C -ATOM 271 CD PRO A 18 5.157 3.921 2.519 1.00 0.00 C -ATOM 272 HA PRO A 18 2.574 3.114 0.842 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.979 4.759 2.934 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.537 3.072 3.156 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.137 5.627 3.359 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.168 4.245 4.434 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.999 4.580 2.430 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.454 2.961 2.942 1.00 0.00 H -ATOM 279 N PRO A 19 1.462 5.356 0.042 1.00 0.00 N -ATOM 280 CA PRO A 19 0.965 6.565 -0.607 1.00 0.00 C -ATOM 281 C PRO A 19 0.679 7.670 0.424 1.00 0.00 C -ATOM 282 O PRO A 19 0.133 7.394 1.493 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.307 6.120 -1.337 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.842 4.980 -0.470 1.00 0.00 C -ATOM 285 CD PRO A 19 0.425 4.333 0.092 1.00 0.00 C -ATOM 286 HA PRO A 19 1.694 6.927 -1.334 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.016 6.923 -1.394 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.038 5.730 -2.321 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.462 5.358 0.320 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.427 4.271 -1.057 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.263 4.017 1.104 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.718 3.493 -0.537 1.00 0.00 H -ATOM 293 N SER A 20 1.033 8.915 0.077 1.00 0.00 N -ATOM 294 CA SER A 20 0.705 10.139 0.828 1.00 0.00 C -ATOM 295 C SER A 20 -0.786 10.478 0.742 1.00 0.00 C -ATOM 296 O SER A 20 -1.375 10.693 1.822 1.00 0.00 O -ATOM 297 CB SER A 20 1.520 11.322 0.296 1.00 0.00 C -ATOM 298 OG SER A 20 2.902 11.054 0.415 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.297 10.548 -0.398 1.00 0.00 O -ATOM 300 H SER A 20 1.493 9.051 -0.810 1.00 0.00 H -ATOM 301 HA SER A 20 0.929 9.985 1.882 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.278 11.484 -0.737 1.00 0.00 H -ATOM 303 HB3 SER A 20 1.270 12.218 0.868 1.00 0.00 H -ATOM 304 HG SER A 20 3.079 10.774 1.317 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 31 -ATOM 1 N ASN A 1 -5.909 7.522 0.267 1.00 0.00 N -ATOM 2 CA ASN A 1 -6.878 6.859 -0.640 1.00 0.00 C -ATOM 3 C ASN A 1 -6.387 5.474 -1.074 1.00 0.00 C -ATOM 4 O ASN A 1 -7.073 4.506 -0.795 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.238 7.752 -1.848 1.00 0.00 C -ATOM 6 CG ASN A 1 -6.030 7.972 -2.754 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -4.939 8.212 -2.259 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -6.143 7.768 -4.052 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.599 6.883 0.986 1.00 0.00 H -ATOM 10 H2 ASN A 1 -5.112 7.842 -0.277 1.00 0.00 H -ATOM 11 H3 ASN A 1 -6.337 8.328 0.703 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.798 6.680 -0.079 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.017 7.278 -2.413 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -7.592 8.722 -1.493 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -7.007 7.508 -4.498 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -5.297 7.914 -4.581 1.00 0.00 H -ATOM 17 N LEU A 2 -5.214 5.357 -1.714 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.723 4.133 -2.374 1.00 0.00 C -ATOM 19 C LEU A 2 -4.072 3.112 -1.410 1.00 0.00 C -ATOM 20 O LEU A 2 -3.514 2.099 -1.824 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.784 4.570 -3.527 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.051 3.825 -4.857 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.094 4.806 -6.033 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -2.990 2.766 -5.156 1.00 0.00 C -ATOM 25 H LEU A 2 -4.694 6.204 -1.928 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.592 3.628 -2.801 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.918 5.621 -3.694 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.742 4.452 -3.229 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.023 3.338 -4.815 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -4.920 5.505 -5.900 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.158 5.361 -6.096 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.250 4.259 -6.963 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -2.068 3.238 -5.500 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -2.771 2.189 -4.262 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -3.360 2.093 -5.930 1.00 0.00 H -ATOM 36 N TYR A 3 -4.158 3.379 -0.100 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.550 2.591 0.970 1.00 0.00 C -ATOM 38 C TYR A 3 -4.064 1.142 1.019 1.00 0.00 C -ATOM 39 O TYR A 3 -3.312 0.246 1.398 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.780 3.308 2.312 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.551 3.326 3.197 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.261 2.225 4.024 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.687 4.439 3.181 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.106 2.230 4.829 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.529 4.448 3.976 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.232 3.340 4.800 1.00 0.00 C -ATOM 47 OH TYR A 3 0.880 3.349 5.583 1.00 0.00 O -ATOM 48 H TYR A 3 -4.674 4.203 0.150 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.477 2.550 0.784 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.071 4.321 2.112 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.604 2.835 2.848 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -2.925 1.374 4.033 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.899 5.294 2.555 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -0.876 1.391 5.467 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.134 5.301 3.953 1.00 0.00 H -ATOM 56 HH TYR A 3 0.691 3.713 6.450 1.00 0.00 H -ATOM 57 N ILE A 4 -5.318 0.899 0.604 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.916 -0.442 0.543 1.00 0.00 C -ATOM 59 C ILE A 4 -5.144 -1.321 -0.447 1.00 0.00 C -ATOM 60 O ILE A 4 -4.704 -2.405 -0.072 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.426 -0.393 0.201 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.210 0.560 1.137 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.041 -1.802 0.286 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.670 1.817 0.395 1.00 0.00 C -ATOM 65 H ILE A 4 -5.870 1.690 0.302 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.811 -0.900 1.529 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.537 -0.053 -0.832 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.071 0.045 1.518 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.591 0.854 1.986 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.564 -2.474 -0.427 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.920 -2.203 1.294 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.103 -1.755 0.046 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.834 2.238 -0.159 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.467 1.560 -0.304 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.041 2.553 1.108 1.00 0.00 H -ATOM 76 N GLN A 5 -4.941 -0.843 -1.684 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.117 -1.514 -2.693 1.00 0.00 C -ATOM 78 C GLN A 5 -2.686 -1.746 -2.187 1.00 0.00 C -ATOM 79 O GLN A 5 -2.209 -2.879 -2.229 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.134 -0.708 -4.002 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.442 -0.901 -4.795 1.00 0.00 C -ATOM 82 CD GLN A 5 -6.166 0.412 -5.082 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -6.464 1.188 -4.184 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -6.497 0.688 -6.330 1.00 0.00 N -ATOM 85 H GLN A 5 -5.307 0.072 -1.913 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.539 -2.498 -2.896 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.024 0.333 -3.767 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.302 -1.031 -4.631 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.209 -1.374 -5.729 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.129 -1.543 -4.244 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -6.283 0.067 -7.093 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -7.002 1.548 -6.458 1.00 0.00 H -ATOM 93 N TRP A 6 -2.034 -0.709 -1.645 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.678 -0.829 -1.093 1.00 0.00 C -ATOM 95 C TRP A 6 -0.567 -1.888 0.023 1.00 0.00 C -ATOM 96 O TRP A 6 0.376 -2.684 0.030 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.200 0.546 -0.612 1.00 0.00 C -ATOM 98 CG TRP A 6 1.200 0.544 -0.082 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.322 0.559 -0.836 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.651 0.467 1.306 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.427 0.481 -0.014 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.075 0.428 1.313 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.006 0.418 2.560 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.828 0.362 2.492 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.749 0.341 3.754 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.155 0.321 3.723 1.00 0.00 C -ATOM 107 H TRP A 6 -2.492 0.198 -1.645 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.016 -1.157 -1.898 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.249 1.230 -1.438 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.866 0.904 0.171 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.344 0.600 -1.918 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.399 0.465 -0.330 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.073 0.449 2.593 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.906 0.339 2.439 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.239 0.310 4.706 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.716 0.279 4.647 1.00 0.00 H -ATOM 117 N LEU A 7 -1.531 -1.946 0.950 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.587 -3.012 1.954 1.00 0.00 C -ATOM 119 C LEU A 7 -1.883 -4.387 1.338 1.00 0.00 C -ATOM 120 O LEU A 7 -1.259 -5.363 1.752 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.605 -2.670 3.056 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.118 -1.596 4.051 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.255 -1.244 5.014 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.920 -2.061 4.892 1.00 0.00 C -ATOM 125 H LEU A 7 -2.264 -1.238 0.941 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.599 -3.102 2.404 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.502 -2.314 2.587 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.828 -3.576 3.621 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.835 -0.698 3.507 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.107 -0.863 4.451 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.559 -2.129 5.572 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.924 -0.478 5.716 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.159 -2.994 5.401 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.046 -2.207 4.261 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.673 -1.303 5.635 1.00 0.00 H -ATOM 136 N LYS A 8 -2.772 -4.477 0.334 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.105 -5.716 -0.398 1.00 0.00 C -ATOM 138 C LYS A 8 -1.879 -6.425 -0.982 1.00 0.00 C -ATOM 139 O LYS A 8 -1.855 -7.653 -0.986 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.125 -5.413 -1.517 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.509 -6.032 -1.296 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.571 -7.539 -1.610 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.790 -7.876 -2.484 1.00 0.00 C -ATOM 144 NZ LYS A 8 -6.467 -7.814 -3.931 1.00 0.00 N -ATOM 145 H LYS A 8 -3.262 -3.623 0.071 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.545 -6.418 0.311 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.241 -4.349 -1.587 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.737 -5.743 -2.483 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.784 -5.888 -0.269 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -6.212 -5.498 -1.938 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -4.677 -7.825 -2.131 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.653 -8.084 -0.669 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.125 -8.867 -2.245 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.598 -7.177 -2.246 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -6.123 -6.897 -4.179 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -5.753 -8.496 -4.155 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -7.289 -8.017 -4.487 1.00 0.00 H -ATOM 158 N ASP A 9 -0.876 -5.673 -1.449 1.00 0.00 N -ATOM 159 CA ASP A 9 0.398 -6.223 -1.930 1.00 0.00 C -ATOM 160 C ASP A 9 1.311 -6.762 -0.805 1.00 0.00 C -ATOM 161 O ASP A 9 2.203 -7.564 -1.082 1.00 0.00 O -ATOM 162 CB ASP A 9 1.147 -5.144 -2.731 1.00 0.00 C -ATOM 163 CG ASP A 9 0.467 -4.801 -4.061 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.157 -5.754 -4.813 1.00 0.00 O -ATOM 165 OD2 ASP A 9 0.290 -3.591 -4.324 1.00 0.00 O -ATOM 166 H ASP A 9 -1.030 -4.670 -1.499 1.00 0.00 H -ATOM 167 HA ASP A 9 0.195 -7.060 -2.600 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.201 -4.253 -2.136 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.152 -5.505 -2.957 1.00 0.00 H -ATOM 170 N GLY A 10 1.096 -6.352 0.456 1.00 0.00 N -ATOM 171 CA GLY A 10 1.939 -6.705 1.606 1.00 0.00 C -ATOM 172 C GLY A 10 2.565 -5.512 2.347 1.00 0.00 C -ATOM 173 O GLY A 10 3.435 -5.730 3.206 1.00 0.00 O -ATOM 174 H GLY A 10 0.261 -5.800 0.631 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.326 -7.256 2.320 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.746 -7.365 1.289 1.00 0.00 H -ATOM 177 N GLY A 11 2.176 -4.272 2.029 1.00 0.00 N -ATOM 178 CA GLY A 11 2.626 -3.057 2.710 1.00 0.00 C -ATOM 179 C GLY A 11 4.158 -2.915 2.747 1.00 0.00 C -ATOM 180 O GLY A 11 4.789 -2.963 1.691 1.00 0.00 O -ATOM 181 H GLY A 11 1.547 -4.148 1.241 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.223 -2.195 2.180 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.209 -3.058 3.715 1.00 0.00 H -ATOM 184 N PRO A 12 4.800 -2.763 3.930 1.00 0.00 N -ATOM 185 CA PRO A 12 6.259 -2.630 4.030 1.00 0.00 C -ATOM 186 C PRO A 12 7.037 -3.777 3.366 1.00 0.00 C -ATOM 187 O PRO A 12 8.146 -3.571 2.879 1.00 0.00 O -ATOM 188 CB PRO A 12 6.578 -2.563 5.529 1.00 0.00 C -ATOM 189 CG PRO A 12 5.267 -2.123 6.174 1.00 0.00 C -ATOM 190 CD PRO A 12 4.203 -2.726 5.258 1.00 0.00 C -ATOM 191 HA PRO A 12 6.554 -1.691 3.560 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.879 -3.525 5.897 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.381 -1.855 5.734 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.180 -2.511 7.171 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.195 -1.035 6.150 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.949 -3.717 5.582 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.303 -2.112 5.287 1.00 0.00 H -ATOM 198 N SER A 13 6.444 -4.979 3.307 1.00 0.00 N -ATOM 199 CA SER A 13 7.043 -6.156 2.670 1.00 0.00 C -ATOM 200 C SER A 13 6.983 -6.137 1.130 1.00 0.00 C -ATOM 201 O SER A 13 7.548 -7.021 0.494 1.00 0.00 O -ATOM 202 CB SER A 13 6.428 -7.435 3.253 1.00 0.00 C -ATOM 203 OG SER A 13 5.089 -7.644 2.842 1.00 0.00 O -ATOM 204 H SER A 13 5.500 -5.052 3.666 1.00 0.00 H -ATOM 205 HA SER A 13 8.101 -6.173 2.933 1.00 0.00 H -ATOM 206 HB2 SER A 13 7.018 -8.273 2.935 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.467 -7.386 4.343 1.00 0.00 H -ATOM 208 HG SER A 13 4.507 -6.893 3.104 1.00 0.00 H -ATOM 209 N SER A 14 6.343 -5.125 0.518 1.00 0.00 N -ATOM 210 CA SER A 14 6.214 -4.963 -0.941 1.00 0.00 C -ATOM 211 C SER A 14 7.325 -4.127 -1.595 1.00 0.00 C -ATOM 212 O SER A 14 7.306 -3.936 -2.809 1.00 0.00 O -ATOM 213 CB SER A 14 4.882 -4.280 -1.265 1.00 0.00 C -ATOM 214 OG SER A 14 3.823 -4.982 -0.663 1.00 0.00 O -ATOM 215 H SER A 14 5.902 -4.413 1.097 1.00 0.00 H -ATOM 216 HA SER A 14 6.217 -5.946 -1.415 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.899 -3.274 -0.893 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.731 -4.256 -2.345 1.00 0.00 H -ATOM 219 HG SER A 14 4.199 -5.674 -0.113 1.00 0.00 H -ATOM 220 N GLY A 15 8.258 -3.554 -0.822 1.00 0.00 N -ATOM 221 CA GLY A 15 9.356 -2.717 -1.330 1.00 0.00 C -ATOM 222 C GLY A 15 8.956 -1.287 -1.733 1.00 0.00 C -ATOM 223 O GLY A 15 9.753 -0.366 -1.564 1.00 0.00 O -ATOM 224 H GLY A 15 8.204 -3.723 0.175 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.135 -2.654 -0.570 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.789 -3.199 -2.207 1.00 0.00 H -ATOM 227 N ARG A 16 7.740 -1.078 -2.255 1.00 0.00 N -ATOM 228 CA ARG A 16 7.196 0.244 -2.606 1.00 0.00 C -ATOM 229 C ARG A 16 6.800 1.026 -1.334 1.00 0.00 C -ATOM 230 O ARG A 16 6.153 0.438 -0.465 1.00 0.00 O -ATOM 231 CB ARG A 16 6.004 0.043 -3.562 1.00 0.00 C -ATOM 232 CG ARG A 16 5.598 1.337 -4.286 1.00 0.00 C -ATOM 233 CD ARG A 16 4.649 1.070 -5.464 1.00 0.00 C -ATOM 234 NE ARG A 16 5.376 0.549 -6.647 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.988 1.239 -7.584 1.00 0.00 C -ATOM 236 NH1 ARG A 16 6.011 2.568 -7.581 1.00 0.00 N -ATOM 237 NH2 ARG A 16 6.613 0.642 -8.574 1.00 0.00 N -ATOM 238 H ARG A 16 7.177 -1.909 -2.406 1.00 0.00 H -ATOM 239 HA ARG A 16 7.984 0.785 -3.128 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.273 -0.691 -4.297 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.146 -0.347 -3.007 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.106 1.985 -3.586 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.488 1.833 -4.670 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.914 0.349 -5.162 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.142 2.000 -5.728 1.00 0.00 H -ATOM 246 HE ARG A 16 5.404 -0.458 -6.736 1.00 0.00 H -ATOM 247 HH11 ARG A 16 5.535 3.037 -6.833 1.00 0.00 H -ATOM 248 HH12 ARG A 16 6.471 3.081 -8.301 1.00 0.00 H -ATOM 249 HH21 ARG A 16 6.628 -0.366 -8.623 1.00 0.00 H -ATOM 250 HH22 ARG A 16 7.076 1.176 -9.280 1.00 0.00 H -ATOM 251 N PRO A 17 7.126 2.330 -1.200 1.00 0.00 N -ATOM 252 CA PRO A 17 6.809 3.113 0.002 1.00 0.00 C -ATOM 253 C PRO A 17 5.294 3.369 0.169 1.00 0.00 C -ATOM 254 O PRO A 17 4.551 3.273 -0.812 1.00 0.00 O -ATOM 255 CB PRO A 17 7.588 4.425 -0.160 1.00 0.00 C -ATOM 256 CG PRO A 17 7.688 4.594 -1.672 1.00 0.00 C -ATOM 257 CD PRO A 17 7.850 3.156 -2.157 1.00 0.00 C -ATOM 258 HA PRO A 17 7.177 2.582 0.880 1.00 0.00 H -ATOM 259 HB2 PRO A 17 7.056 5.245 0.283 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.589 4.309 0.258 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.798 5.040 -2.072 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.535 5.216 -1.960 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.432 3.044 -3.139 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.905 2.879 -2.151 1.00 0.00 H -ATOM 265 N PRO A 18 4.828 3.720 1.386 1.00 0.00 N -ATOM 266 CA PRO A 18 3.415 3.979 1.661 1.00 0.00 C -ATOM 267 C PRO A 18 2.921 5.257 0.956 1.00 0.00 C -ATOM 268 O PRO A 18 3.633 6.262 0.960 1.00 0.00 O -ATOM 269 CB PRO A 18 3.307 4.111 3.185 1.00 0.00 C -ATOM 270 CG PRO A 18 4.701 4.568 3.609 1.00 0.00 C -ATOM 271 CD PRO A 18 5.614 3.867 2.605 1.00 0.00 C -ATOM 272 HA PRO A 18 2.830 3.121 1.340 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.567 4.840 3.454 1.00 0.00 H -ATOM 274 HB3 PRO A 18 3.099 3.135 3.621 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.796 5.634 3.537 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.929 4.279 4.636 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.488 4.461 2.417 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.884 2.880 2.982 1.00 0.00 H -ATOM 279 N PRO A 19 1.704 5.254 0.376 1.00 0.00 N -ATOM 280 CA PRO A 19 1.131 6.433 -0.268 1.00 0.00 C -ATOM 281 C PRO A 19 0.578 7.422 0.772 1.00 0.00 C -ATOM 282 O PRO A 19 -0.096 7.022 1.725 1.00 0.00 O -ATOM 283 CB PRO A 19 0.032 5.878 -1.180 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.464 4.639 -0.433 1.00 0.00 C -ATOM 285 CD PRO A 19 0.792 4.121 0.270 1.00 0.00 C -ATOM 286 HA PRO A 19 1.886 6.934 -0.875 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.759 6.592 -1.305 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.474 5.572 -2.129 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.223 4.899 0.279 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.879 3.897 -1.115 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.545 3.752 1.247 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.257 3.344 -0.337 1.00 0.00 H -ATOM 293 N SER A 20 0.825 8.716 0.549 1.00 0.00 N -ATOM 294 CA SER A 20 0.360 9.847 1.362 1.00 0.00 C -ATOM 295 C SER A 20 -0.255 10.948 0.496 1.00 0.00 C -ATOM 296 O SER A 20 0.173 11.092 -0.672 1.00 0.00 O -ATOM 297 CB SER A 20 1.496 10.383 2.241 1.00 0.00 C -ATOM 298 OG SER A 20 2.667 10.641 1.485 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.188 11.592 1.023 1.00 0.00 O -ATOM 300 H SER A 20 1.372 9.005 -0.251 1.00 0.00 H -ATOM 301 HA SER A 20 -0.439 9.514 2.020 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.175 11.295 2.707 1.00 0.00 H -ATOM 303 HB3 SER A 20 1.726 9.639 3.008 1.00 0.00 H -ATOM 304 HG SER A 20 3.313 11.084 2.036 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 32 -ATOM 1 N ASN A 1 -6.852 6.802 0.784 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.569 5.905 -0.155 1.00 0.00 C -ATOM 3 C ASN A 1 -6.675 4.784 -0.685 1.00 0.00 C -ATOM 4 O ASN A 1 -6.907 3.637 -0.312 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.306 6.688 -1.259 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.658 7.144 -0.720 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -10.402 6.342 -0.185 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -9.997 8.418 -0.771 1.00 0.00 N -ATOM 9 H1 ASN A 1 -6.406 6.262 1.512 1.00 0.00 H -ATOM 10 H2 ASN A 1 -6.150 7.342 0.294 1.00 0.00 H -ATOM 11 H3 ASN A 1 -7.507 7.441 1.214 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.341 5.383 0.416 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -7.724 7.543 -1.544 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.496 6.032 -2.110 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -9.452 9.144 -1.207 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -10.916 8.601 -0.396 1.00 0.00 H -ATOM 17 N LEU A 2 -5.641 5.081 -1.489 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.771 4.070 -2.118 1.00 0.00 C -ATOM 19 C LEU A 2 -4.066 3.118 -1.122 1.00 0.00 C -ATOM 20 O LEU A 2 -3.610 2.044 -1.507 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.736 4.788 -3.009 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.207 3.896 -4.155 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.121 3.970 -5.385 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -1.783 4.286 -4.551 1.00 0.00 C -ATOM 25 H LEU A 2 -5.488 6.032 -1.793 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.401 3.449 -2.761 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.197 5.657 -3.437 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.911 5.107 -2.379 1.00 0.00 H -ATOM 29 HG LEU A 2 -3.172 2.861 -3.826 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -5.104 4.362 -5.124 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.683 4.602 -6.157 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.253 2.966 -5.790 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -1.718 5.358 -4.736 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -1.099 4.008 -3.752 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -1.488 3.743 -5.449 1.00 0.00 H -ATOM 36 N TYR A 3 -4.017 3.470 0.169 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.452 2.660 1.248 1.00 0.00 C -ATOM 38 C TYR A 3 -4.002 1.221 1.271 1.00 0.00 C -ATOM 39 O TYR A 3 -3.253 0.284 1.527 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.690 3.373 2.590 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.578 3.161 3.597 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.514 1.966 4.339 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.601 4.161 3.787 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.479 1.768 5.270 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.567 3.969 4.722 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.503 2.769 5.464 1.00 0.00 C -ATOM 47 OH TYR A 3 0.485 2.574 6.378 1.00 0.00 O -ATOM 48 H TYR A 3 -4.399 4.368 0.410 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.376 2.600 1.088 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.782 4.426 2.403 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.635 3.037 3.021 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.259 1.196 4.191 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.635 5.081 3.217 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.416 0.856 5.843 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.180 4.734 4.872 1.00 0.00 H -ATOM 56 HH TYR A 3 0.286 3.012 7.208 1.00 0.00 H -ATOM 57 N ILE A 4 -5.291 1.031 0.946 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.931 -0.293 0.853 1.00 0.00 C -ATOM 59 C ILE A 4 -5.280 -1.132 -0.262 1.00 0.00 C -ATOM 60 O ILE A 4 -4.975 -2.308 -0.057 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.452 -0.139 0.612 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.150 0.694 1.716 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.133 -1.519 0.519 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.405 1.406 1.195 1.00 0.00 C -ATOM 65 H ILE A 4 -5.843 1.851 0.722 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.780 -0.822 1.794 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.585 0.372 -0.343 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.432 0.039 2.518 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.485 1.468 2.099 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.763 -2.077 -0.343 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.934 -2.097 1.423 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.211 -1.406 0.405 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -9.143 2.050 0.354 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -10.152 0.681 0.875 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.826 2.022 1.989 1.00 0.00 H -ATOM 76 N GLN A 5 -5.043 -0.527 -1.433 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.319 -1.165 -2.532 1.00 0.00 C -ATOM 78 C GLN A 5 -2.856 -1.426 -2.147 1.00 0.00 C -ATOM 79 O GLN A 5 -2.382 -2.537 -2.342 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.432 -0.330 -3.822 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.812 -0.453 -4.498 1.00 0.00 C -ATOM 82 CD GLN A 5 -6.574 0.869 -4.544 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -6.511 1.619 -5.500 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -7.337 1.205 -3.520 1.00 0.00 N -ATOM 85 H GLN A 5 -5.183 0.474 -1.483 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.763 -2.143 -2.723 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.261 0.701 -3.579 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.682 -0.687 -4.528 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.671 -0.801 -5.503 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.424 -1.202 -3.994 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -7.488 0.604 -2.731 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -7.851 2.055 -3.678 1.00 0.00 H -ATOM 93 N TRP A 6 -2.161 -0.464 -1.529 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.783 -0.667 -1.057 1.00 0.00 C -ATOM 95 C TRP A 6 -0.645 -1.797 -0.021 1.00 0.00 C -ATOM 96 O TRP A 6 0.314 -2.570 -0.062 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.249 0.652 -0.495 1.00 0.00 C -ATOM 98 CG TRP A 6 1.135 0.570 0.072 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.275 0.562 -0.652 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.545 0.458 1.469 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.360 0.439 0.197 1.00 0.00 N -ATOM 102 CE2 TRP A 6 2.968 0.390 1.513 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.867 0.423 2.708 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.691 0.320 2.711 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.580 0.342 3.919 1.00 0.00 C -ATOM 106 CH2 TRP A 6 2.987 0.304 3.924 1.00 0.00 C -ATOM 107 H TRP A 6 -2.607 0.442 -1.410 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.164 -0.953 -1.911 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.245 1.376 -1.287 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.917 0.998 0.291 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.321 0.634 -1.731 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.338 0.431 -0.094 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.213 0.476 2.719 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.771 0.289 2.684 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.047 0.329 4.859 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.522 0.272 4.860 1.00 0.00 H -ATOM 117 N LEU A 7 -1.613 -1.946 0.894 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.654 -3.093 1.806 1.00 0.00 C -ATOM 119 C LEU A 7 -1.835 -4.426 1.058 1.00 0.00 C -ATOM 120 O LEU A 7 -1.246 -5.420 1.478 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.752 -2.898 2.866 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.416 -1.848 3.943 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.648 -1.629 4.827 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.246 -2.272 4.838 1.00 0.00 C -ATOM 125 H LEU A 7 -2.340 -1.237 0.952 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.691 -3.164 2.309 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.651 -2.591 2.366 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.928 -3.852 3.365 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.156 -0.903 3.474 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.482 -1.286 4.215 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.923 -2.562 5.321 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.435 -0.875 5.585 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.429 -3.262 5.255 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.321 -2.286 4.263 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -1.123 -1.560 5.652 1.00 0.00 H -ATOM 136 N LYS A 8 -2.573 -4.450 -0.065 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.753 -5.637 -0.920 1.00 0.00 C -ATOM 138 C LYS A 8 -1.423 -6.194 -1.444 1.00 0.00 C -ATOM 139 O LYS A 8 -1.285 -7.410 -1.532 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.680 -5.295 -2.099 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.298 -6.504 -2.814 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.536 -7.065 -2.098 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.303 -8.006 -3.036 1.00 0.00 C -ATOM 144 NZ LYS A 8 -7.007 -7.254 -4.106 1.00 0.00 N -ATOM 145 H LYS A 8 -2.995 -3.577 -0.362 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.211 -6.421 -0.316 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.480 -4.685 -1.727 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.094 -4.770 -2.849 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.583 -6.205 -3.804 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -3.557 -7.296 -2.934 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.227 -7.608 -1.225 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.190 -6.253 -1.779 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -5.610 -8.689 -3.488 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.027 -8.580 -2.453 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -7.790 -6.744 -3.720 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -6.372 -6.589 -4.533 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -7.345 -7.883 -4.822 1.00 0.00 H -ATOM 158 N ASP A 9 -0.447 -5.329 -1.753 1.00 0.00 N -ATOM 159 CA ASP A 9 0.910 -5.749 -2.133 1.00 0.00 C -ATOM 160 C ASP A 9 1.670 -6.459 -0.990 1.00 0.00 C -ATOM 161 O ASP A 9 2.622 -7.186 -1.270 1.00 0.00 O -ATOM 162 CB ASP A 9 1.736 -4.535 -2.594 1.00 0.00 C -ATOM 163 CG ASP A 9 1.220 -3.854 -3.861 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.591 -4.337 -4.953 1.00 0.00 O -ATOM 165 OD2 ASP A 9 0.541 -2.814 -3.721 1.00 0.00 O -ATOM 166 H ASP A 9 -0.655 -4.337 -1.719 1.00 0.00 H -ATOM 167 HA ASP A 9 0.844 -6.450 -2.966 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.736 -3.811 -1.802 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.749 -4.874 -2.808 1.00 0.00 H -ATOM 170 N GLY A 10 1.257 -6.258 0.274 1.00 0.00 N -ATOM 171 CA GLY A 10 1.961 -6.712 1.480 1.00 0.00 C -ATOM 172 C GLY A 10 2.411 -5.586 2.425 1.00 0.00 C -ATOM 173 O GLY A 10 3.160 -5.849 3.367 1.00 0.00 O -ATOM 174 H GLY A 10 0.383 -5.760 0.408 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.304 -7.377 2.037 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.850 -7.277 1.196 1.00 0.00 H -ATOM 177 N GLY A 11 2.008 -4.326 2.183 1.00 0.00 N -ATOM 178 CA GLY A 11 2.450 -3.174 2.973 1.00 0.00 C -ATOM 179 C GLY A 11 3.980 -2.984 2.932 1.00 0.00 C -ATOM 180 O GLY A 11 4.559 -3.040 1.839 1.00 0.00 O -ATOM 181 H GLY A 11 1.456 -4.151 1.354 1.00 0.00 H -ATOM 182 HA2 GLY A 11 1.984 -2.274 2.571 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.101 -3.314 3.994 1.00 0.00 H -ATOM 184 N PRO A 12 4.665 -2.766 4.078 1.00 0.00 N -ATOM 185 CA PRO A 12 6.116 -2.537 4.125 1.00 0.00 C -ATOM 186 C PRO A 12 6.959 -3.639 3.466 1.00 0.00 C -ATOM 187 O PRO A 12 8.019 -3.357 2.912 1.00 0.00 O -ATOM 188 CB PRO A 12 6.477 -2.417 5.612 1.00 0.00 C -ATOM 189 CG PRO A 12 5.164 -2.042 6.293 1.00 0.00 C -ATOM 190 CD PRO A 12 4.110 -2.726 5.425 1.00 0.00 C -ATOM 191 HA PRO A 12 6.331 -1.590 3.630 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.847 -3.351 5.989 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.243 -1.658 5.777 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.133 -2.413 7.299 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.028 -0.961 6.254 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.922 -3.721 5.781 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.178 -2.162 5.468 1.00 0.00 H -ATOM 198 N SER A 13 6.486 -4.890 3.490 1.00 0.00 N -ATOM 199 CA SER A 13 7.202 -6.073 2.992 1.00 0.00 C -ATOM 200 C SER A 13 7.143 -6.241 1.464 1.00 0.00 C -ATOM 201 O SER A 13 7.476 -7.309 0.957 1.00 0.00 O -ATOM 202 CB SER A 13 6.669 -7.320 3.710 1.00 0.00 C -ATOM 203 OG SER A 13 6.903 -7.208 5.102 1.00 0.00 O -ATOM 204 H SER A 13 5.586 -5.054 3.924 1.00 0.00 H -ATOM 205 HA SER A 13 8.256 -5.969 3.247 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.615 -7.410 3.532 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.175 -8.210 3.337 1.00 0.00 H -ATOM 208 HG SER A 13 7.852 -7.195 5.257 1.00 0.00 H -ATOM 209 N SER A 14 6.739 -5.198 0.725 1.00 0.00 N -ATOM 210 CA SER A 14 6.405 -5.266 -0.708 1.00 0.00 C -ATOM 211 C SER A 14 7.371 -4.503 -1.623 1.00 0.00 C -ATOM 212 O SER A 14 7.116 -4.406 -2.826 1.00 0.00 O -ATOM 213 CB SER A 14 4.983 -4.759 -0.973 1.00 0.00 C -ATOM 214 OG SER A 14 4.134 -4.862 0.138 1.00 0.00 O -ATOM 215 H SER A 14 6.478 -4.368 1.241 1.00 0.00 H -ATOM 216 HA SER A 14 6.427 -6.311 -1.020 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.039 -3.727 -1.263 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.571 -5.340 -1.796 1.00 0.00 H -ATOM 219 HG SER A 14 4.313 -4.115 0.764 1.00 0.00 H -ATOM 220 N GLY A 15 8.442 -3.922 -1.059 1.00 0.00 N -ATOM 221 CA GLY A 15 9.474 -3.182 -1.792 1.00 0.00 C -ATOM 222 C GLY A 15 9.029 -1.817 -2.334 1.00 0.00 C -ATOM 223 O GLY A 15 9.636 -1.322 -3.282 1.00 0.00 O -ATOM 224 H GLY A 15 8.567 -4.078 -0.067 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.326 -3.018 -1.132 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.816 -3.786 -2.634 1.00 0.00 H -ATOM 227 N ARG A 16 7.971 -1.217 -1.769 1.00 0.00 N -ATOM 228 CA ARG A 16 7.354 0.032 -2.244 1.00 0.00 C -ATOM 229 C ARG A 16 6.844 0.894 -1.071 1.00 0.00 C -ATOM 230 O ARG A 16 6.204 0.347 -0.168 1.00 0.00 O -ATOM 231 CB ARG A 16 6.234 -0.313 -3.248 1.00 0.00 C -ATOM 232 CG ARG A 16 5.064 -1.085 -2.611 1.00 0.00 C -ATOM 233 CD ARG A 16 4.139 -1.794 -3.605 1.00 0.00 C -ATOM 234 NE ARG A 16 4.801 -2.956 -4.225 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.278 -3.071 -5.455 1.00 0.00 C -ATOM 236 NH1 ARG A 16 5.210 -2.093 -6.329 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.864 -4.186 -5.822 1.00 0.00 N -ATOM 238 H ARG A 16 7.549 -1.675 -0.973 1.00 0.00 H -ATOM 239 HA ARG A 16 8.120 0.589 -2.783 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.854 0.601 -3.662 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.672 -0.909 -4.049 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.474 -1.825 -1.951 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.465 -0.382 -2.044 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.261 -2.128 -3.087 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.785 -1.084 -4.353 1.00 0.00 H -ATOM 246 HE ARG A 16 4.929 -3.770 -3.646 1.00 0.00 H -ATOM 247 HH11 ARG A 16 4.742 -1.252 -6.044 1.00 0.00 H -ATOM 248 HH12 ARG A 16 5.588 -2.189 -7.251 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.998 -4.910 -5.134 1.00 0.00 H -ATOM 250 HH22 ARG A 16 6.200 -4.304 -6.756 1.00 0.00 H -ATOM 251 N PRO A 17 7.087 2.220 -1.065 1.00 0.00 N -ATOM 252 CA PRO A 17 6.655 3.106 0.019 1.00 0.00 C -ATOM 253 C PRO A 17 5.123 3.267 0.052 1.00 0.00 C -ATOM 254 O PRO A 17 4.470 3.043 -0.971 1.00 0.00 O -ATOM 255 CB PRO A 17 7.355 4.442 -0.256 1.00 0.00 C -ATOM 256 CG PRO A 17 7.509 4.455 -1.776 1.00 0.00 C -ATOM 257 CD PRO A 17 7.758 2.986 -2.109 1.00 0.00 C -ATOM 258 HA PRO A 17 6.997 2.705 0.974 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.753 5.266 0.076 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.342 4.438 0.209 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.616 4.812 -2.251 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.338 5.087 -2.096 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.347 2.746 -3.071 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.828 2.777 -2.079 1.00 0.00 H -ATOM 265 N PRO A 18 4.537 3.673 1.196 1.00 0.00 N -ATOM 266 CA PRO A 18 3.102 3.903 1.304 1.00 0.00 C -ATOM 267 C PRO A 18 2.667 5.149 0.509 1.00 0.00 C -ATOM 268 O PRO A 18 3.454 6.085 0.353 1.00 0.00 O -ATOM 269 CB PRO A 18 2.819 4.069 2.799 1.00 0.00 C -ATOM 270 CG PRO A 18 4.134 4.621 3.345 1.00 0.00 C -ATOM 271 CD PRO A 18 5.189 3.944 2.471 1.00 0.00 C -ATOM 272 HA PRO A 18 2.575 3.028 0.934 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.014 4.759 2.964 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.618 3.095 3.244 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.176 5.688 3.241 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.266 4.380 4.399 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.030 4.595 2.329 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.495 3.002 2.927 1.00 0.00 H -ATOM 279 N PRO A 19 1.416 5.184 0.020 1.00 0.00 N -ATOM 280 CA PRO A 19 0.856 6.338 -0.670 1.00 0.00 C -ATOM 281 C PRO A 19 0.274 7.370 0.308 1.00 0.00 C -ATOM 282 O PRO A 19 -0.285 7.006 1.346 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.241 5.744 -1.552 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.772 4.583 -0.706 1.00 0.00 C -ATOM 285 CD PRO A 19 0.476 4.073 0.003 1.00 0.00 C -ATOM 286 HA PRO A 19 1.613 6.813 -1.296 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.012 6.464 -1.746 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.214 5.358 -2.465 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.504 4.924 0.000 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.221 3.803 -1.320 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.238 3.772 1.005 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.911 3.257 -0.574 1.00 0.00 H -ATOM 293 N SER A 20 0.317 8.642 -0.115 1.00 0.00 N -ATOM 294 CA SER A 20 -0.113 9.835 0.640 1.00 0.00 C -ATOM 295 C SER A 20 0.639 10.031 1.968 1.00 0.00 C -ATOM 296 O SER A 20 0.066 10.720 2.840 1.00 0.00 O -ATOM 297 CB SER A 20 -1.636 9.826 0.849 1.00 0.00 C -ATOM 298 OG SER A 20 -2.305 9.711 -0.395 1.00 0.00 O -ATOM 299 OXT SER A 20 1.796 9.565 2.056 1.00 0.00 O -ATOM 300 H SER A 20 0.838 8.806 -0.960 1.00 0.00 H -ATOM 301 HA SER A 20 0.140 10.716 0.055 1.00 0.00 H -ATOM 302 HB2 SER A 20 -1.902 8.994 1.472 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.934 10.755 1.339 1.00 0.00 H -ATOM 304 HG SER A 20 -1.851 10.287 -1.014 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 33 -ATOM 1 N ASN A 1 -9.696 2.810 -1.214 1.00 0.00 N -ATOM 2 CA ASN A 1 -8.702 3.862 -0.904 1.00 0.00 C -ATOM 3 C ASN A 1 -7.320 3.416 -1.392 1.00 0.00 C -ATOM 4 O ASN A 1 -7.058 2.216 -1.401 1.00 0.00 O -ATOM 5 CB ASN A 1 -8.682 4.180 0.603 1.00 0.00 C -ATOM 6 CG ASN A 1 -7.901 5.460 0.875 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -6.683 5.431 0.961 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -8.563 6.601 0.949 1.00 0.00 N -ATOM 9 H1 ASN A 1 -9.798 2.712 -2.215 1.00 0.00 H -ATOM 10 H2 ASN A 1 -9.371 1.928 -0.840 1.00 0.00 H -ATOM 11 H3 ASN A 1 -10.593 3.041 -0.806 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.978 4.770 -1.442 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -9.690 4.302 0.950 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.208 3.365 1.150 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -9.568 6.669 0.919 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -7.997 7.418 1.129 1.00 0.00 H -ATOM 17 N LEU A 2 -6.450 4.362 -1.773 1.00 0.00 N -ATOM 18 CA LEU A 2 -5.070 4.110 -2.206 1.00 0.00 C -ATOM 19 C LEU A 2 -4.261 3.274 -1.198 1.00 0.00 C -ATOM 20 O LEU A 2 -3.535 2.363 -1.600 1.00 0.00 O -ATOM 21 CB LEU A 2 -4.351 5.440 -2.547 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.514 6.597 -1.528 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.229 7.411 -1.372 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -5.623 7.572 -1.951 1.00 0.00 C -ATOM 25 H LEU A 2 -6.706 5.331 -1.654 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.109 3.519 -3.122 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.303 5.230 -2.636 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -4.699 5.782 -3.523 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.759 6.191 -0.552 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -2.500 6.830 -0.816 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.824 7.681 -2.347 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.422 8.320 -0.800 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -5.295 8.148 -2.819 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -6.539 7.048 -2.209 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -5.828 8.260 -1.132 1.00 0.00 H -ATOM 36 N TYR A 3 -4.415 3.532 0.107 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.672 2.802 1.139 1.00 0.00 C -ATOM 38 C TYR A 3 -4.041 1.307 1.188 1.00 0.00 C -ATOM 39 O TYR A 3 -3.171 0.461 1.386 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.879 3.480 2.497 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.767 3.185 3.485 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.814 2.034 4.294 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.673 4.066 3.584 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.769 1.770 5.202 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.633 3.814 4.497 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.678 2.659 5.305 1.00 0.00 C -ATOM 47 OH TYR A 3 0.328 2.397 6.181 1.00 0.00 O -ATOM 48 H TYR A 3 -5.030 4.292 0.388 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.611 2.866 0.893 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.928 4.541 2.345 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.839 3.176 2.920 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.646 1.348 4.217 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.623 4.947 2.966 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.786 0.898 5.835 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.183 4.517 4.582 1.00 0.00 H -ATOM 56 HH TYR A 3 1.000 3.080 6.149 1.00 0.00 H -ATOM 57 N ILE A 4 -5.317 0.964 0.945 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.797 -0.427 0.890 1.00 0.00 C -ATOM 59 C ILE A 4 -5.106 -1.182 -0.260 1.00 0.00 C -ATOM 60 O ILE A 4 -4.649 -2.312 -0.079 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.343 -0.481 0.776 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.026 0.176 2.003 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.809 -1.944 0.634 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.518 0.486 1.806 1.00 0.00 C -ATOM 65 H ILE A 4 -5.958 1.710 0.720 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.510 -0.925 1.817 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.647 0.059 -0.122 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -7.929 -0.490 2.838 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.538 1.122 2.236 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.478 -2.358 -0.319 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.398 -2.547 1.445 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.894 -2.016 0.659 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -9.642 1.219 1.013 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -10.080 -0.412 1.556 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.924 0.899 2.728 1.00 0.00 H -ATOM 76 N GLN A 5 -4.987 -0.542 -1.429 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.265 -1.071 -2.589 1.00 0.00 C -ATOM 78 C GLN A 5 -2.780 -1.329 -2.278 1.00 0.00 C -ATOM 79 O GLN A 5 -2.258 -2.372 -2.663 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.444 -0.110 -3.783 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.274 -0.705 -4.937 1.00 0.00 C -ATOM 82 CD GLN A 5 -4.406 -1.168 -6.106 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -3.743 -0.382 -6.761 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -4.396 -2.444 -6.437 1.00 0.00 N -ATOM 85 H GLN A 5 -5.362 0.397 -1.487 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.696 -2.043 -2.836 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.937 0.777 -3.433 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.468 0.199 -4.159 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.827 -1.546 -4.565 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.939 0.070 -5.317 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.933 -3.137 -5.951 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -3.802 -2.637 -7.226 1.00 0.00 H -ATOM 93 N TRP A 6 -2.110 -0.425 -1.550 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.735 -0.642 -1.083 1.00 0.00 C -ATOM 95 C TRP A 6 -0.618 -1.798 -0.074 1.00 0.00 C -ATOM 96 O TRP A 6 0.284 -2.632 -0.196 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.178 0.660 -0.502 1.00 0.00 C -ATOM 98 CG TRP A 6 1.220 0.560 0.030 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.344 0.499 -0.720 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.660 0.470 1.420 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.446 0.394 0.108 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.084 0.389 1.433 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.008 0.446 2.674 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.829 0.330 2.618 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.746 0.354 3.871 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.152 0.312 3.847 1.00 0.00 C -ATOM 107 H TRP A 6 -2.590 0.437 -1.304 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.120 -0.916 -1.942 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.189 1.403 -1.276 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.826 1.000 0.307 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.370 0.522 -1.801 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.422 0.342 -0.195 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.071 0.498 2.709 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.908 0.276 2.569 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.228 0.327 4.819 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.709 0.259 4.771 1.00 0.00 H -ATOM 117 N LEU A 7 -1.541 -1.889 0.896 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.582 -3.011 1.838 1.00 0.00 C -ATOM 119 C LEU A 7 -1.783 -4.360 1.136 1.00 0.00 C -ATOM 120 O LEU A 7 -1.117 -5.321 1.517 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.666 -2.803 2.908 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.354 -1.713 3.950 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.542 -1.608 4.912 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.090 -2.018 4.764 1.00 0.00 C -ATOM 125 H LEU A 7 -2.233 -1.146 0.975 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.612 -3.079 2.329 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.578 -2.536 2.410 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.803 -3.746 3.442 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.222 -0.755 3.451 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.453 -1.399 4.353 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.663 -2.544 5.458 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.376 -0.804 5.626 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.148 -3.021 5.187 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.210 -1.944 4.128 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.982 -1.297 5.571 1.00 0.00 H -ATOM 136 N LYS A 8 -2.633 -4.432 0.094 1.00 0.00 N -ATOM 137 CA LYS A 8 -2.884 -5.655 -0.692 1.00 0.00 C -ATOM 138 C LYS A 8 -1.596 -6.330 -1.179 1.00 0.00 C -ATOM 139 O LYS A 8 -1.525 -7.556 -1.201 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.808 -5.329 -1.882 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.241 -6.587 -2.655 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.060 -6.237 -3.903 1.00 0.00 C -ATOM 143 CE LYS A 8 -5.306 -7.504 -4.738 1.00 0.00 C -ATOM 144 NZ LYS A 8 -4.559 -7.485 -6.019 1.00 0.00 N -ATOM 145 H LYS A 8 -3.173 -3.595 -0.117 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.386 -6.377 -0.047 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.685 -4.834 -1.511 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.277 -4.670 -2.567 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -3.365 -7.128 -2.956 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -4.835 -7.226 -2.000 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.002 -5.819 -3.605 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -4.524 -5.490 -4.491 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -4.994 -8.359 -4.169 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.379 -7.594 -4.932 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -4.868 -6.712 -6.594 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -3.566 -7.387 -5.848 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -4.715 -8.344 -6.529 1.00 0.00 H -ATOM 158 N ASP A 9 -0.590 -5.540 -1.563 1.00 0.00 N -ATOM 159 CA ASP A 9 0.696 -6.034 -2.059 1.00 0.00 C -ATOM 160 C ASP A 9 1.604 -6.602 -0.943 1.00 0.00 C -ATOM 161 O ASP A 9 2.534 -7.350 -1.236 1.00 0.00 O -ATOM 162 CB ASP A 9 1.377 -4.885 -2.828 1.00 0.00 C -ATOM 163 CG ASP A 9 2.180 -5.390 -4.029 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.517 -5.724 -5.041 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.423 -5.398 -3.944 1.00 0.00 O -ATOM 166 H ASP A 9 -0.734 -4.540 -1.523 1.00 0.00 H -ATOM 167 HA ASP A 9 0.502 -6.844 -2.765 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.622 -4.207 -3.177 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.011 -4.308 -2.158 1.00 0.00 H -ATOM 170 N GLY A 10 1.315 -6.291 0.335 1.00 0.00 N -ATOM 171 CA GLY A 10 2.125 -6.667 1.501 1.00 0.00 C -ATOM 172 C GLY A 10 2.634 -5.488 2.350 1.00 0.00 C -ATOM 173 O GLY A 10 3.490 -5.686 3.216 1.00 0.00 O -ATOM 174 H GLY A 10 0.438 -5.808 0.503 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.519 -7.303 2.147 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.993 -7.245 1.182 1.00 0.00 H -ATOM 177 N GLY A 11 2.132 -4.266 2.113 1.00 0.00 N -ATOM 178 CA GLY A 11 2.535 -3.041 2.809 1.00 0.00 C -ATOM 179 C GLY A 11 4.061 -2.833 2.842 1.00 0.00 C -ATOM 180 O GLY A 11 4.676 -2.729 1.777 1.00 0.00 O -ATOM 181 H GLY A 11 1.459 -4.179 1.364 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.091 -2.192 2.292 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.124 -3.070 3.815 1.00 0.00 H -ATOM 184 N PRO A 12 4.716 -2.764 4.022 1.00 0.00 N -ATOM 185 CA PRO A 12 6.173 -2.628 4.110 1.00 0.00 C -ATOM 186 C PRO A 12 6.953 -3.752 3.413 1.00 0.00 C -ATOM 187 O PRO A 12 8.085 -3.532 2.985 1.00 0.00 O -ATOM 188 CB PRO A 12 6.510 -2.614 5.607 1.00 0.00 C -ATOM 189 CG PRO A 12 5.200 -2.211 6.279 1.00 0.00 C -ATOM 190 CD PRO A 12 4.136 -2.801 5.356 1.00 0.00 C -ATOM 191 HA PRO A 12 6.463 -1.674 3.669 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.824 -3.586 5.936 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.309 -1.906 5.829 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.129 -2.629 7.265 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.116 -1.124 6.289 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.912 -3.811 5.640 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.224 -2.208 5.422 1.00 0.00 H -ATOM 198 N SER A 13 6.364 -4.949 3.290 1.00 0.00 N -ATOM 199 CA SER A 13 7.032 -6.120 2.719 1.00 0.00 C -ATOM 200 C SER A 13 7.005 -6.154 1.183 1.00 0.00 C -ATOM 201 O SER A 13 7.560 -7.084 0.599 1.00 0.00 O -ATOM 202 CB SER A 13 6.426 -7.399 3.310 1.00 0.00 C -ATOM 203 OG SER A 13 7.402 -8.420 3.301 1.00 0.00 O -ATOM 204 H SER A 13 5.392 -5.053 3.575 1.00 0.00 H -ATOM 205 HA SER A 13 8.080 -6.085 3.021 1.00 0.00 H -ATOM 206 HB2 SER A 13 6.109 -7.214 4.318 1.00 0.00 H -ATOM 207 HB3 SER A 13 5.557 -7.710 2.730 1.00 0.00 H -ATOM 208 HG SER A 13 7.730 -8.506 2.397 1.00 0.00 H -ATOM 209 N SER A 14 6.381 -5.157 0.538 1.00 0.00 N -ATOM 210 CA SER A 14 6.165 -5.055 -0.915 1.00 0.00 C -ATOM 211 C SER A 14 7.342 -4.457 -1.697 1.00 0.00 C -ATOM 212 O SER A 14 7.309 -4.428 -2.924 1.00 0.00 O -ATOM 213 CB SER A 14 4.964 -4.138 -1.174 1.00 0.00 C -ATOM 214 OG SER A 14 3.864 -4.511 -0.377 1.00 0.00 O -ATOM 215 H SER A 14 5.881 -4.475 1.098 1.00 0.00 H -ATOM 216 HA SER A 14 5.937 -6.042 -1.321 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.238 -3.127 -0.943 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.688 -4.185 -2.225 1.00 0.00 H -ATOM 219 HG SER A 14 3.188 -3.835 -0.468 1.00 0.00 H -ATOM 220 N GLY A 15 8.357 -3.909 -1.017 1.00 0.00 N -ATOM 221 CA GLY A 15 9.474 -3.213 -1.669 1.00 0.00 C -ATOM 222 C GLY A 15 9.156 -1.791 -2.160 1.00 0.00 C -ATOM 223 O GLY A 15 9.942 -1.231 -2.920 1.00 0.00 O -ATOM 224 H GLY A 15 8.341 -3.994 -0.010 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.311 -3.152 -0.976 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.800 -3.797 -2.532 1.00 0.00 H -ATOM 227 N ARG A 16 8.024 -1.197 -1.741 1.00 0.00 N -ATOM 228 CA ARG A 16 7.568 0.140 -2.156 1.00 0.00 C -ATOM 229 C ARG A 16 7.012 0.930 -0.956 1.00 0.00 C -ATOM 230 O ARG A 16 6.231 0.354 -0.196 1.00 0.00 O -ATOM 231 CB ARG A 16 6.504 -0.029 -3.256 1.00 0.00 C -ATOM 232 CG ARG A 16 6.136 1.305 -3.920 1.00 0.00 C -ATOM 233 CD ARG A 16 5.111 1.119 -5.043 1.00 0.00 C -ATOM 234 NE ARG A 16 4.902 2.373 -5.790 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.118 3.394 -5.467 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.401 3.409 -4.368 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.046 4.440 -6.259 1.00 0.00 N -ATOM 238 H ARG A 16 7.441 -1.716 -1.100 1.00 0.00 H -ATOM 239 HA ARG A 16 8.423 0.671 -2.576 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.886 -0.694 -4.006 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.608 -0.485 -2.831 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.722 1.960 -3.177 1.00 0.00 H -ATOM 243 HG3 ARG A 16 7.039 1.747 -4.344 1.00 0.00 H -ATOM 244 HD2 ARG A 16 5.466 0.364 -5.719 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.167 0.759 -4.628 1.00 0.00 H -ATOM 246 HE ARG A 16 5.422 2.462 -6.647 1.00 0.00 H -ATOM 247 HH11 ARG A 16 3.504 2.647 -3.718 1.00 0.00 H -ATOM 248 HH12 ARG A 16 2.814 4.189 -4.136 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.589 4.478 -7.103 1.00 0.00 H -ATOM 250 HH22 ARG A 16 3.453 5.213 -6.014 1.00 0.00 H -ATOM 251 N PRO A 17 7.341 2.229 -0.790 1.00 0.00 N -ATOM 252 CA PRO A 17 6.828 3.050 0.313 1.00 0.00 C -ATOM 253 C PRO A 17 5.302 3.268 0.240 1.00 0.00 C -ATOM 254 O PRO A 17 4.711 3.118 -0.837 1.00 0.00 O -ATOM 255 CB PRO A 17 7.588 4.382 0.217 1.00 0.00 C -ATOM 256 CG PRO A 17 7.955 4.479 -1.259 1.00 0.00 C -ATOM 257 CD PRO A 17 8.236 3.024 -1.624 1.00 0.00 C -ATOM 258 HA PRO A 17 7.073 2.564 1.257 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.962 5.202 0.511 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.498 4.326 0.815 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.141 4.874 -1.836 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.825 5.116 -1.425 1.00 0.00 H -ATOM 263 HD2 PRO A 17 8.031 2.852 -2.663 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.270 2.778 -1.381 1.00 0.00 H -ATOM 265 N PRO A 18 4.658 3.643 1.366 1.00 0.00 N -ATOM 266 CA PRO A 18 3.221 3.898 1.414 1.00 0.00 C -ATOM 267 C PRO A 18 2.834 5.170 0.637 1.00 0.00 C -ATOM 268 O PRO A 18 3.623 6.115 0.574 1.00 0.00 O -ATOM 269 CB PRO A 18 2.872 4.023 2.901 1.00 0.00 C -ATOM 270 CG PRO A 18 4.173 4.506 3.536 1.00 0.00 C -ATOM 271 CD PRO A 18 5.248 3.833 2.686 1.00 0.00 C -ATOM 272 HA PRO A 18 2.702 3.039 0.999 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.085 4.736 3.051 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.619 3.041 3.300 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.254 5.575 3.483 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.246 4.214 4.585 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.117 4.459 2.619 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.501 2.862 3.113 1.00 0.00 H -ATOM 279 N PRO A 19 1.620 5.223 0.057 1.00 0.00 N -ATOM 280 CA PRO A 19 1.139 6.367 -0.722 1.00 0.00 C -ATOM 281 C PRO A 19 0.477 7.473 0.123 1.00 0.00 C -ATOM 282 O PRO A 19 0.201 8.545 -0.412 1.00 0.00 O -ATOM 283 CB PRO A 19 0.125 5.747 -1.684 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.519 4.650 -0.831 1.00 0.00 C -ATOM 285 CD PRO A 19 0.673 4.117 -0.040 1.00 0.00 C -ATOM 286 HA PRO A 19 1.956 6.812 -1.290 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.603 6.470 -1.999 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.651 5.295 -2.525 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.270 5.054 -0.179 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.979 3.875 -1.444 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.362 3.806 0.939 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.138 3.304 -0.597 1.00 0.00 H -ATOM 293 N SER A 20 0.213 7.210 1.410 1.00 0.00 N -ATOM 294 CA SER A 20 -0.379 8.118 2.401 1.00 0.00 C -ATOM 295 C SER A 20 0.477 8.085 3.667 1.00 0.00 C -ATOM 296 O SER A 20 0.871 9.175 4.129 1.00 0.00 O -ATOM 297 CB SER A 20 -1.821 7.700 2.717 1.00 0.00 C -ATOM 298 OG SER A 20 -2.657 8.835 2.780 1.00 0.00 O -ATOM 299 OXT SER A 20 0.731 6.946 4.124 1.00 0.00 O -ATOM 300 H SER A 20 0.539 6.334 1.792 1.00 0.00 H -ATOM 301 HA SER A 20 -0.376 9.140 2.021 1.00 0.00 H -ATOM 302 HB2 SER A 20 -2.175 7.041 1.948 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.844 7.173 3.675 1.00 0.00 H -ATOM 304 HG SER A 20 -3.473 8.604 3.228 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 34 -ATOM 1 N ASN A 1 -5.799 7.830 -0.622 1.00 0.00 N -ATOM 2 CA ASN A 1 -6.880 6.904 -1.045 1.00 0.00 C -ATOM 3 C ASN A 1 -6.385 5.527 -1.533 1.00 0.00 C -ATOM 4 O ASN A 1 -7.195 4.623 -1.680 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.825 7.579 -2.066 1.00 0.00 C -ATOM 6 CG ASN A 1 -9.296 7.287 -1.763 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -9.622 6.455 -0.932 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -10.226 7.998 -2.373 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.221 7.401 0.088 1.00 0.00 H -ATOM 10 H2 ASN A 1 -5.228 8.093 -1.416 1.00 0.00 H -ATOM 11 H3 ASN A 1 -6.207 8.670 -0.235 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.484 6.690 -0.160 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -7.668 8.640 -2.035 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -7.593 7.245 -3.078 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -10.030 8.724 -3.044 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -11.167 7.758 -2.108 1.00 0.00 H -ATOM 17 N LEU A 2 -5.074 5.320 -1.762 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.517 4.062 -2.295 1.00 0.00 C -ATOM 19 C LEU A 2 -3.967 3.102 -1.219 1.00 0.00 C -ATOM 20 O LEU A 2 -3.428 2.045 -1.548 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.448 4.425 -3.346 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.051 4.779 -4.719 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.023 5.544 -5.556 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -4.473 3.517 -5.479 1.00 0.00 C -ATOM 25 H LEU A 2 -4.397 6.057 -1.657 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.309 3.505 -2.795 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -2.890 5.269 -2.989 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.757 3.592 -3.484 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.923 5.421 -4.583 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -2.817 6.509 -5.095 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.096 4.973 -5.628 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.417 5.717 -6.558 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -3.615 2.859 -5.616 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -5.251 2.986 -4.932 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -4.869 3.792 -6.456 1.00 0.00 H -ATOM 36 N TYR A 3 -4.114 3.440 0.068 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.557 2.674 1.187 1.00 0.00 C -ATOM 38 C TYR A 3 -4.050 1.217 1.220 1.00 0.00 C -ATOM 39 O TYR A 3 -3.279 0.313 1.534 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.871 3.401 2.505 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.796 3.226 3.558 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.742 2.051 4.335 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.836 4.240 3.749 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.743 1.897 5.317 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.837 4.088 4.726 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.793 2.923 5.516 1.00 0.00 C -ATOM 47 OH TYR A 3 0.148 2.813 6.496 1.00 0.00 O -ATOM 48 H TYR A 3 -4.583 4.306 0.272 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.473 2.651 1.067 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.978 4.449 2.299 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.828 3.055 2.899 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.469 1.267 4.176 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.865 5.144 3.155 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.699 0.996 5.909 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.106 4.866 4.894 1.00 0.00 H -ATOM 56 HH TYR A 3 -0.189 2.359 7.268 1.00 0.00 H -ATOM 57 N ILE A 4 -5.316 0.983 0.838 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.917 -0.354 0.736 1.00 0.00 C -ATOM 59 C ILE A 4 -5.164 -1.204 -0.302 1.00 0.00 C -ATOM 60 O ILE A 4 -4.740 -2.313 0.009 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.431 -0.260 0.419 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.188 0.682 1.392 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.073 -1.658 0.464 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.662 1.967 0.703 1.00 0.00 C -ATOM 65 H ILE A 4 -5.883 1.784 0.606 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.806 -0.849 1.701 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.550 0.118 -0.599 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.043 0.163 1.781 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.554 0.946 2.240 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.627 -2.311 -0.285 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.939 -2.102 1.451 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.141 -1.582 0.251 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.826 2.470 0.218 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.419 1.723 -0.045 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.102 2.636 1.442 1.00 0.00 H -ATOM 76 N GLN A 5 -4.951 -0.669 -1.512 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.159 -1.301 -2.575 1.00 0.00 C -ATOM 78 C GLN A 5 -2.710 -1.563 -2.137 1.00 0.00 C -ATOM 79 O GLN A 5 -2.195 -2.659 -2.357 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.205 -0.425 -3.844 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.431 -0.707 -4.723 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.229 -1.914 -5.660 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.748 -2.967 -5.270 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -5.591 -1.783 -6.912 1.00 0.00 N -ATOM 85 H GLN A 5 -5.269 0.277 -1.662 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.597 -2.273 -2.805 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.227 0.606 -3.547 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.305 -0.586 -4.439 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -6.272 -0.904 -4.086 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.620 0.176 -5.336 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -6.009 -0.948 -7.281 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -5.424 -2.601 -7.488 1.00 0.00 H -ATOM 93 N TRP A 6 -2.061 -0.590 -1.483 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.707 -0.761 -0.942 1.00 0.00 C -ATOM 95 C TRP A 6 -0.625 -1.886 0.103 1.00 0.00 C -ATOM 96 O TRP A 6 0.254 -2.748 0.014 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.203 0.570 -0.378 1.00 0.00 C -ATOM 98 CG TRP A 6 1.188 0.516 0.176 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.328 0.543 -0.554 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.611 0.411 1.571 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.420 0.431 0.286 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.036 0.358 1.604 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.941 0.370 2.813 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.764 0.276 2.797 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.660 0.285 4.021 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.067 0.241 4.016 1.00 0.00 C -ATOM 107 H TRP A 6 -2.536 0.304 -1.365 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.047 -1.048 -1.761 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.223 1.298 -1.166 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.876 0.904 0.412 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.371 0.637 -1.631 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.399 0.438 -0.005 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.139 0.419 2.832 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.843 0.240 2.765 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.130 0.269 4.964 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.612 0.191 4.946 1.00 0.00 H -ATOM 117 N LEU A 7 -1.566 -1.931 1.058 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.690 -3.054 1.991 1.00 0.00 C -ATOM 119 C LEU A 7 -1.955 -4.378 1.260 1.00 0.00 C -ATOM 120 O LEU A 7 -1.318 -5.376 1.595 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.786 -2.777 3.037 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.391 -1.764 4.129 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.612 -1.492 5.013 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.258 -2.274 5.027 1.00 0.00 C -ATOM 125 H LEU A 7 -2.249 -1.176 1.107 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.737 -3.180 2.499 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.649 -2.397 2.525 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -3.042 -3.717 3.527 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.078 -0.829 3.669 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.419 -1.078 4.410 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.953 -2.420 5.476 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.357 -0.782 5.798 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.530 -3.234 5.465 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.339 -2.386 4.455 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -1.069 -1.559 5.827 1.00 0.00 H -ATOM 136 N LYS A 8 -2.824 -4.393 0.234 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.130 -5.587 -0.573 1.00 0.00 C -ATOM 138 C LYS A 8 -1.901 -6.192 -1.263 1.00 0.00 C -ATOM 139 O LYS A 8 -1.908 -7.378 -1.579 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.203 -5.259 -1.628 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.048 -6.490 -2.013 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.129 -6.766 -3.523 1.00 0.00 C -ATOM 143 CE LYS A 8 -3.903 -7.532 -4.050 1.00 0.00 C -ATOM 144 NZ LYS A 8 -2.952 -6.665 -4.790 1.00 0.00 N -ATOM 145 H LYS A 8 -3.348 -3.538 0.053 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.517 -6.346 0.108 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.855 -4.504 -1.233 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.725 -4.833 -2.511 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.619 -7.352 -1.538 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -6.060 -6.319 -1.647 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.009 -7.348 -3.720 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.287 -5.837 -4.075 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -3.389 -7.970 -3.216 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -4.260 -8.327 -4.710 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -3.417 -6.219 -5.569 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -2.573 -5.948 -4.185 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -2.177 -7.215 -5.141 1.00 0.00 H -ATOM 158 N ASP A 9 -0.868 -5.389 -1.528 1.00 0.00 N -ATOM 159 CA ASP A 9 0.415 -5.850 -2.062 1.00 0.00 C -ATOM 160 C ASP A 9 1.361 -6.433 -0.997 1.00 0.00 C -ATOM 161 O ASP A 9 2.393 -7.000 -1.356 1.00 0.00 O -ATOM 162 CB ASP A 9 1.128 -4.679 -2.755 1.00 0.00 C -ATOM 163 CG ASP A 9 1.821 -5.147 -4.033 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.092 -5.500 -4.985 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.071 -5.076 -4.089 1.00 0.00 O -ATOM 166 H ASP A 9 -0.983 -4.400 -1.335 1.00 0.00 H -ATOM 167 HA ASP A 9 0.222 -6.632 -2.802 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.407 -3.924 -3.002 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.858 -4.239 -2.072 1.00 0.00 H -ATOM 170 N GLY A 10 1.065 -6.245 0.295 1.00 0.00 N -ATOM 171 CA GLY A 10 1.887 -6.698 1.422 1.00 0.00 C -ATOM 172 C GLY A 10 2.425 -5.583 2.330 1.00 0.00 C -ATOM 173 O GLY A 10 3.181 -5.881 3.256 1.00 0.00 O -ATOM 174 H GLY A 10 0.187 -5.780 0.519 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.284 -7.365 2.037 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.742 -7.268 1.059 1.00 0.00 H -ATOM 177 N GLY A 11 2.061 -4.312 2.104 1.00 0.00 N -ATOM 178 CA GLY A 11 2.490 -3.202 2.957 1.00 0.00 C -ATOM 179 C GLY A 11 4.026 -3.036 2.995 1.00 0.00 C -ATOM 180 O GLY A 11 4.652 -3.007 1.932 1.00 0.00 O -ATOM 181 H GLY A 11 1.472 -4.098 1.305 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.054 -2.278 2.582 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.093 -3.382 3.955 1.00 0.00 H -ATOM 184 N PRO A 12 4.674 -2.922 4.179 1.00 0.00 N -ATOM 185 CA PRO A 12 6.124 -2.708 4.301 1.00 0.00 C -ATOM 186 C PRO A 12 7.022 -3.877 3.833 1.00 0.00 C -ATOM 187 O PRO A 12 8.218 -3.871 4.113 1.00 0.00 O -ATOM 188 CB PRO A 12 6.391 -2.376 5.780 1.00 0.00 C -ATOM 189 CG PRO A 12 5.023 -2.264 6.447 1.00 0.00 C -ATOM 190 CD PRO A 12 4.073 -2.998 5.504 1.00 0.00 C -ATOM 191 HA PRO A 12 6.387 -1.837 3.703 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.965 -3.158 6.239 1.00 0.00 H -ATOM 193 HB3 PRO A 12 6.935 -1.434 5.867 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.033 -2.731 7.413 1.00 0.00 H -ATOM 195 HG3 PRO A 12 4.734 -1.214 6.511 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.967 -4.022 5.806 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.094 -2.523 5.547 1.00 0.00 H -ATOM 198 N SER A 13 6.477 -4.893 3.152 1.00 0.00 N -ATOM 199 CA SER A 13 7.175 -6.119 2.726 1.00 0.00 C -ATOM 200 C SER A 13 7.263 -6.275 1.201 1.00 0.00 C -ATOM 201 O SER A 13 7.639 -7.338 0.711 1.00 0.00 O -ATOM 202 CB SER A 13 6.505 -7.331 3.383 1.00 0.00 C -ATOM 203 OG SER A 13 6.754 -7.284 4.773 1.00 0.00 O -ATOM 204 H SER A 13 5.498 -4.804 2.901 1.00 0.00 H -ATOM 205 HA SER A 13 8.208 -6.093 3.078 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.448 -7.301 3.204 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.916 -8.258 2.983 1.00 0.00 H -ATOM 208 HG SER A 13 6.699 -6.365 5.049 1.00 0.00 H -ATOM 209 N SER A 14 6.946 -5.213 0.448 1.00 0.00 N -ATOM 210 CA SER A 14 6.719 -5.256 -1.005 1.00 0.00 C -ATOM 211 C SER A 14 7.679 -4.357 -1.805 1.00 0.00 C -ATOM 212 O SER A 14 7.475 -4.156 -3.000 1.00 0.00 O -ATOM 213 CB SER A 14 5.251 -4.902 -1.299 1.00 0.00 C -ATOM 214 OG SER A 14 4.376 -5.610 -0.441 1.00 0.00 O -ATOM 215 H SER A 14 6.585 -4.411 0.948 1.00 0.00 H -ATOM 216 HA SER A 14 6.876 -6.275 -1.359 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.108 -3.848 -1.154 1.00 0.00 H -ATOM 218 HB3 SER A 14 5.023 -5.134 -2.341 1.00 0.00 H -ATOM 219 HG SER A 14 3.677 -6.081 -0.956 1.00 0.00 H -ATOM 220 N GLY A 15 8.709 -3.785 -1.159 1.00 0.00 N -ATOM 221 CA GLY A 15 9.714 -2.925 -1.800 1.00 0.00 C -ATOM 222 C GLY A 15 9.190 -1.564 -2.282 1.00 0.00 C -ATOM 223 O GLY A 15 9.812 -0.954 -3.149 1.00 0.00 O -ATOM 224 H GLY A 15 8.834 -4.046 -0.191 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.523 -2.738 -1.093 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.138 -3.448 -2.658 1.00 0.00 H -ATOM 227 N ARG A 16 8.055 -1.092 -1.742 1.00 0.00 N -ATOM 228 CA ARG A 16 7.352 0.126 -2.173 1.00 0.00 C -ATOM 229 C ARG A 16 6.879 0.975 -0.975 1.00 0.00 C -ATOM 230 O ARG A 16 6.283 0.422 -0.047 1.00 0.00 O -ATOM 231 CB ARG A 16 6.179 -0.250 -3.105 1.00 0.00 C -ATOM 232 CG ARG A 16 5.216 -1.290 -2.506 1.00 0.00 C -ATOM 233 CD ARG A 16 3.913 -1.453 -3.294 1.00 0.00 C -ATOM 234 NE ARG A 16 3.979 -2.564 -4.251 1.00 0.00 N -ATOM 235 CZ ARG A 16 4.099 -2.562 -5.568 1.00 0.00 C -ATOM 236 NH1 ARG A 16 4.326 -1.471 -6.261 1.00 0.00 N -ATOM 237 NH2 ARG A 16 3.956 -3.703 -6.191 1.00 0.00 N -ATOM 238 H ARG A 16 7.635 -1.646 -1.010 1.00 0.00 H -ATOM 239 HA ARG A 16 8.053 0.718 -2.760 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.622 0.641 -3.323 1.00 0.00 H -ATOM 241 HB3 ARG A 16 6.585 -0.650 -4.035 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.716 -2.239 -2.480 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.938 -1.000 -1.497 1.00 0.00 H -ATOM 244 HD2 ARG A 16 3.113 -1.638 -2.604 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.642 -0.518 -3.782 1.00 0.00 H -ATOM 246 HE ARG A 16 3.778 -3.506 -3.901 1.00 0.00 H -ATOM 247 HH11 ARG A 16 4.431 -0.607 -5.761 1.00 0.00 H -ATOM 248 HH12 ARG A 16 4.393 -1.513 -7.260 1.00 0.00 H -ATOM 249 HH21 ARG A 16 3.656 -4.483 -5.580 1.00 0.00 H -ATOM 250 HH22 ARG A 16 3.997 -3.809 -7.186 1.00 0.00 H -ATOM 251 N PRO A 17 7.088 2.308 -0.976 1.00 0.00 N -ATOM 252 CA PRO A 17 6.623 3.182 0.103 1.00 0.00 C -ATOM 253 C PRO A 17 5.085 3.329 0.103 1.00 0.00 C -ATOM 254 O PRO A 17 4.453 3.095 -0.930 1.00 0.00 O -ATOM 255 CB PRO A 17 7.322 4.523 -0.149 1.00 0.00 C -ATOM 256 CG PRO A 17 7.496 4.553 -1.666 1.00 0.00 C -ATOM 257 CD PRO A 17 7.747 3.086 -2.015 1.00 0.00 C -ATOM 258 HA PRO A 17 6.949 2.777 1.062 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.713 5.342 0.184 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.304 4.513 0.328 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.610 4.918 -2.148 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.331 5.187 -1.966 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.329 2.855 -2.976 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.819 2.881 -1.995 1.00 0.00 H -ATOM 265 N PRO A 18 4.472 3.730 1.236 1.00 0.00 N -ATOM 266 CA PRO A 18 3.027 3.921 1.331 1.00 0.00 C -ATOM 267 C PRO A 18 2.560 5.180 0.573 1.00 0.00 C -ATOM 268 O PRO A 18 3.278 6.182 0.545 1.00 0.00 O -ATOM 269 CB PRO A 18 2.729 4.033 2.829 1.00 0.00 C -ATOM 270 CG PRO A 18 4.024 4.603 3.406 1.00 0.00 C -ATOM 271 CD PRO A 18 5.103 3.976 2.524 1.00 0.00 C -ATOM 272 HA PRO A 18 2.530 3.041 0.935 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.904 4.696 3.008 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.555 3.040 3.241 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.040 5.673 3.332 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.152 4.336 4.455 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.931 4.649 2.412 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.423 3.028 2.956 1.00 0.00 H -ATOM 279 N PRO A 19 1.350 5.165 -0.019 1.00 0.00 N -ATOM 280 CA PRO A 19 0.784 6.306 -0.729 1.00 0.00 C -ATOM 281 C PRO A 19 0.140 7.315 0.240 1.00 0.00 C -ATOM 282 O PRO A 19 -0.739 6.964 1.032 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.244 5.698 -1.684 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.754 4.477 -0.918 1.00 0.00 C -ATOM 285 CD PRO A 19 0.472 4.010 -0.137 1.00 0.00 C -ATOM 286 HA PRO A 19 1.559 6.806 -1.311 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.041 6.389 -1.882 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.259 5.368 -2.595 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.552 4.747 -0.254 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.111 3.700 -1.593 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.182 3.664 0.836 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.986 3.234 -0.702 1.00 0.00 H -ATOM 293 N SER A 20 0.543 8.582 0.113 1.00 0.00 N -ATOM 294 CA SER A 20 0.016 9.748 0.833 1.00 0.00 C -ATOM 295 C SER A 20 -0.159 10.912 -0.134 1.00 0.00 C -ATOM 296 O SER A 20 -1.277 11.467 -0.133 1.00 0.00 O -ATOM 297 CB SER A 20 0.963 10.142 1.970 1.00 0.00 C -ATOM 298 OG SER A 20 0.800 9.241 3.044 1.00 0.00 O -ATOM 299 OXT SER A 20 0.816 11.191 -0.866 1.00 0.00 O -ATOM 300 H SER A 20 1.245 8.811 -0.579 1.00 0.00 H -ATOM 301 HA SER A 20 -0.972 9.534 1.233 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.977 10.105 1.621 1.00 0.00 H -ATOM 303 HB3 SER A 20 0.729 11.154 2.307 1.00 0.00 H -ATOM 304 HG SER A 20 -0.132 9.020 3.102 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 35 -ATOM 1 N ASN A 1 -5.868 7.107 0.465 1.00 0.00 N -ATOM 2 CA ASN A 1 -6.755 6.451 -0.528 1.00 0.00 C -ATOM 3 C ASN A 1 -6.147 5.130 -1.011 1.00 0.00 C -ATOM 4 O ASN A 1 -6.599 4.083 -0.564 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.175 7.413 -1.661 1.00 0.00 C -ATOM 6 CG ASN A 1 -8.572 7.064 -2.164 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -8.793 5.981 -2.676 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -9.552 7.938 -2.002 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.629 6.454 1.200 1.00 0.00 H -ATOM 10 H2 ASN A 1 -5.021 7.437 0.025 1.00 0.00 H -ATOM 11 H3 ASN A 1 -6.346 7.894 0.882 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.671 6.165 -0.007 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -7.174 8.419 -1.289 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -6.479 7.362 -2.498 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -9.433 8.852 -1.600 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -10.445 7.627 -2.351 1.00 0.00 H -ATOM 17 N LEU A 2 -5.067 5.159 -1.809 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.393 3.972 -2.370 1.00 0.00 C -ATOM 19 C LEU A 2 -3.815 2.986 -1.322 1.00 0.00 C -ATOM 20 O LEU A 2 -3.405 1.881 -1.670 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.318 4.475 -3.359 1.00 0.00 C -ATOM 22 CG LEU A 2 -2.775 3.391 -4.321 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -2.886 3.852 -5.776 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -1.305 3.059 -4.036 1.00 0.00 C -ATOM 25 H LEU A 2 -4.731 6.044 -2.158 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.136 3.416 -2.944 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.747 5.262 -3.949 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.496 4.924 -2.803 1.00 0.00 H -ATOM 29 HG LEU A 2 -3.366 2.482 -4.221 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -3.924 4.091 -6.007 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.264 4.732 -5.945 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -2.567 3.048 -6.440 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -0.682 3.941 -4.189 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -1.195 2.711 -3.010 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -0.974 2.268 -4.708 1.00 0.00 H -ATOM 36 N TYR A 3 -3.811 3.352 -0.033 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.274 2.565 1.082 1.00 0.00 C -ATOM 38 C TYR A 3 -3.871 1.151 1.162 1.00 0.00 C -ATOM 39 O TYR A 3 -3.162 0.203 1.485 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.498 3.331 2.395 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.474 3.026 3.471 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.556 1.845 4.232 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.445 3.950 3.728 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.614 1.596 5.250 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.515 3.719 4.759 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.602 2.538 5.524 1.00 0.00 C -ATOM 47 OH TYR A 3 0.272 2.308 6.543 1.00 0.00 O -ATOM 48 H TYR A 3 -4.199 4.255 0.180 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.199 2.466 0.933 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.461 4.382 2.183 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.496 3.115 2.779 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.347 1.135 4.044 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.383 4.866 3.163 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.662 0.704 5.850 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.238 4.465 4.970 1.00 0.00 H -ATOM 56 HH TYR A 3 0.748 3.106 6.781 1.00 0.00 H -ATOM 57 N ILE A 4 -5.156 0.994 0.814 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.850 -0.301 0.744 1.00 0.00 C -ATOM 59 C ILE A 4 -5.166 -1.221 -0.284 1.00 0.00 C -ATOM 60 O ILE A 4 -4.867 -2.383 0.001 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.341 -0.069 0.393 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.074 0.816 1.434 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.093 -1.407 0.261 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -9.121 1.725 0.775 1.00 0.00 C -ATOM 65 H ILE A 4 -5.666 1.828 0.551 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.792 -0.788 1.718 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.379 0.436 -0.575 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.565 0.180 2.146 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.376 1.460 1.967 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.735 -1.962 -0.606 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.943 -2.009 1.159 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.159 -1.227 0.131 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -8.623 2.466 0.151 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.802 1.138 0.157 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -9.693 2.241 1.546 1.00 0.00 H -ATOM 76 N GLN A 5 -4.893 -0.684 -1.479 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.220 -1.377 -2.577 1.00 0.00 C -ATOM 78 C GLN A 5 -2.743 -1.658 -2.245 1.00 0.00 C -ATOM 79 O GLN A 5 -2.248 -2.748 -2.519 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.380 -0.533 -3.859 1.00 0.00 C -ATOM 81 CG GLN A 5 -4.875 -1.373 -5.046 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.310 -0.493 -6.218 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -4.652 0.465 -6.592 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -6.447 -0.772 -6.830 1.00 0.00 N -ATOM 85 H GLN A 5 -5.079 0.301 -1.598 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.712 -2.339 -2.718 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -5.088 0.251 -3.671 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.433 -0.060 -4.120 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -4.081 -2.018 -5.371 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -5.728 -1.974 -4.725 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -7.033 -1.546 -6.574 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -6.664 -0.145 -7.586 1.00 0.00 H -ATOM 93 N TRP A 6 -2.061 -0.708 -1.593 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.699 -0.882 -1.080 1.00 0.00 C -ATOM 95 C TRP A 6 -0.600 -1.986 -0.008 1.00 0.00 C -ATOM 96 O TRP A 6 0.299 -2.830 -0.069 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.198 0.465 -0.550 1.00 0.00 C -ATOM 98 CG TRP A 6 1.182 0.437 0.022 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.329 0.427 -0.694 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.580 0.373 1.425 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.407 0.351 0.167 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.005 0.332 1.482 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.886 0.337 2.656 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.709 0.283 2.693 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.584 0.265 3.877 1.00 0.00 C -ATOM 106 CH2 TRP A 6 2.991 0.248 3.900 1.00 0.00 C -ATOM 107 H TRP A 6 -2.532 0.184 -1.455 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.054 -1.185 -1.905 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.210 1.168 -1.360 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.877 0.814 0.226 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.391 0.455 -1.774 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.385 0.314 -0.130 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.194 0.363 2.653 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.789 0.251 2.682 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.036 0.230 4.808 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.515 0.202 4.842 1.00 0.00 H -ATOM 117 N LEU A 7 -1.541 -2.027 0.949 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.640 -3.112 1.929 1.00 0.00 C -ATOM 119 C LEU A 7 -1.889 -4.468 1.261 1.00 0.00 C -ATOM 120 O LEU A 7 -1.238 -5.436 1.646 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.740 -2.826 2.968 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.343 -1.833 4.074 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.572 -1.572 4.953 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.217 -2.363 4.972 1.00 0.00 C -ATOM 125 H LEU A 7 -2.224 -1.274 0.990 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.682 -3.200 2.437 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.591 -2.427 2.451 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -3.015 -3.766 3.448 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.019 -0.896 3.626 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.372 -1.143 4.348 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.920 -2.504 5.398 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.325 -0.876 5.753 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.486 -3.340 5.377 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.290 -2.450 4.406 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -1.040 -1.673 5.795 1.00 0.00 H -ATOM 136 N LYS A 8 -2.770 -4.540 0.248 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.034 -5.773 -0.517 1.00 0.00 C -ATOM 138 C LYS A 8 -1.772 -6.426 -1.091 1.00 0.00 C -ATOM 139 O LYS A 8 -1.728 -7.650 -1.174 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.047 -5.506 -1.649 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.490 -5.877 -1.287 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.698 -7.403 -1.249 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.160 -7.768 -0.972 1.00 0.00 C -ATOM 144 NZ LYS A 8 -8.019 -7.558 -2.161 1.00 0.00 N -ATOM 145 H LYS A 8 -3.298 -3.699 0.023 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.441 -6.510 0.174 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.017 -4.461 -1.891 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.763 -6.070 -2.541 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.721 -5.471 -0.321 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -6.147 -5.448 -2.044 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.409 -7.817 -2.196 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.085 -7.829 -0.456 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -7.211 -8.801 -0.686 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.517 -7.163 -0.132 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -7.967 -6.595 -2.466 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.713 -8.153 -2.920 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -8.983 -7.781 -1.944 1.00 0.00 H -ATOM 158 N ASP A 9 -0.765 -5.631 -1.463 1.00 0.00 N -ATOM 159 CA ASP A 9 0.519 -6.121 -1.972 1.00 0.00 C -ATOM 160 C ASP A 9 1.445 -6.678 -0.865 1.00 0.00 C -ATOM 161 O ASP A 9 2.350 -7.452 -1.161 1.00 0.00 O -ATOM 162 CB ASP A 9 1.192 -4.971 -2.744 1.00 0.00 C -ATOM 163 CG ASP A 9 2.106 -5.477 -3.863 1.00 0.00 C -ATOM 164 OD1 ASP A 9 1.541 -5.942 -4.878 1.00 0.00 O -ATOM 165 OD2 ASP A 9 3.339 -5.352 -3.715 1.00 0.00 O -ATOM 166 H ASP A 9 -0.913 -4.632 -1.417 1.00 0.00 H -ATOM 167 HA ASP A 9 0.324 -6.932 -2.676 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.429 -4.352 -3.175 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.743 -4.334 -2.055 1.00 0.00 H -ATOM 170 N GLY A 10 1.199 -6.324 0.409 1.00 0.00 N -ATOM 171 CA GLY A 10 2.035 -6.695 1.561 1.00 0.00 C -ATOM 172 C GLY A 10 2.549 -5.516 2.405 1.00 0.00 C -ATOM 173 O GLY A 10 3.396 -5.721 3.280 1.00 0.00 O -ATOM 174 H GLY A 10 0.336 -5.822 0.592 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.449 -7.339 2.217 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.902 -7.263 1.226 1.00 0.00 H -ATOM 177 N GLY A 11 2.066 -4.289 2.167 1.00 0.00 N -ATOM 178 CA GLY A 11 2.482 -3.079 2.879 1.00 0.00 C -ATOM 179 C GLY A 11 4.013 -2.881 2.908 1.00 0.00 C -ATOM 180 O GLY A 11 4.621 -2.749 1.846 1.00 0.00 O -ATOM 181 H GLY A 11 1.409 -4.178 1.404 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.044 -2.219 2.376 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.076 -3.118 3.887 1.00 0.00 H -ATOM 184 N PRO A 12 4.676 -2.846 4.086 1.00 0.00 N -ATOM 185 CA PRO A 12 6.134 -2.696 4.170 1.00 0.00 C -ATOM 186 C PRO A 12 6.928 -3.774 3.419 1.00 0.00 C -ATOM 187 O PRO A 12 8.047 -3.516 2.983 1.00 0.00 O -ATOM 188 CB PRO A 12 6.477 -2.732 5.665 1.00 0.00 C -ATOM 189 CG PRO A 12 5.171 -2.350 6.354 1.00 0.00 C -ATOM 190 CD PRO A 12 4.103 -2.919 5.422 1.00 0.00 C -ATOM 191 HA PRO A 12 6.404 -1.720 3.765 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.791 -3.715 5.961 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.280 -2.035 5.906 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.107 -2.794 7.329 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.083 -1.262 6.389 1.00 0.00 H -ATOM 196 HD2 PRO A 12 3.883 -3.937 5.681 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.191 -2.329 5.510 1.00 0.00 H -ATOM 198 N SER A 13 6.360 -4.977 3.249 1.00 0.00 N -ATOM 199 CA SER A 13 7.010 -6.099 2.562 1.00 0.00 C -ATOM 200 C SER A 13 6.911 -6.017 1.027 1.00 0.00 C -ATOM 201 O SER A 13 7.428 -6.898 0.345 1.00 0.00 O -ATOM 202 CB SER A 13 6.444 -7.423 3.092 1.00 0.00 C -ATOM 203 OG SER A 13 6.672 -7.521 4.489 1.00 0.00 O -ATOM 204 H SER A 13 5.417 -5.134 3.594 1.00 0.00 H -ATOM 205 HA SER A 13 8.075 -6.080 2.799 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.389 -7.461 2.900 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.937 -8.259 2.596 1.00 0.00 H -ATOM 208 HG SER A 13 7.611 -7.422 4.660 1.00 0.00 H -ATOM 209 N SER A 14 6.292 -4.962 0.480 1.00 0.00 N -ATOM 210 CA SER A 14 6.048 -4.754 -0.957 1.00 0.00 C -ATOM 211 C SER A 14 7.176 -4.018 -1.697 1.00 0.00 C -ATOM 212 O SER A 14 7.059 -3.747 -2.892 1.00 0.00 O -ATOM 213 CB SER A 14 4.777 -3.919 -1.127 1.00 0.00 C -ATOM 214 OG SER A 14 3.709 -4.470 -0.389 1.00 0.00 O -ATOM 215 H SER A 14 5.828 -4.305 1.101 1.00 0.00 H -ATOM 216 HA SER A 14 5.888 -5.719 -1.440 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.964 -2.920 -0.782 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.508 -3.877 -2.181 1.00 0.00 H -ATOM 219 HG SER A 14 2.926 -3.939 -0.562 1.00 0.00 H -ATOM 220 N GLY A 15 8.243 -3.596 -1.007 1.00 0.00 N -ATOM 221 CA GLY A 15 9.361 -2.835 -1.585 1.00 0.00 C -ATOM 222 C GLY A 15 9.056 -1.352 -1.859 1.00 0.00 C -ATOM 223 O GLY A 15 9.930 -0.509 -1.670 1.00 0.00 O -ATOM 224 H GLY A 15 8.265 -3.821 -0.022 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.215 -2.889 -0.911 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.653 -3.296 -2.529 1.00 0.00 H -ATOM 227 N ARG A 16 7.831 -1.015 -2.290 1.00 0.00 N -ATOM 228 CA ARG A 16 7.367 0.368 -2.493 1.00 0.00 C -ATOM 229 C ARG A 16 6.877 0.999 -1.170 1.00 0.00 C -ATOM 230 O ARG A 16 6.119 0.344 -0.451 1.00 0.00 O -ATOM 231 CB ARG A 16 6.250 0.369 -3.554 1.00 0.00 C -ATOM 232 CG ARG A 16 5.874 1.792 -3.992 1.00 0.00 C -ATOM 233 CD ARG A 16 4.768 1.802 -5.052 1.00 0.00 C -ATOM 234 NE ARG A 16 4.592 3.152 -5.624 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.342 3.725 -6.562 1.00 0.00 C -ATOM 236 NH1 ARG A 16 6.353 3.099 -7.118 1.00 0.00 N -ATOM 237 NH2 ARG A 16 5.089 4.951 -6.960 1.00 0.00 N -ATOM 238 H ARG A 16 7.202 -1.790 -2.478 1.00 0.00 H -ATOM 239 HA ARG A 16 8.215 0.937 -2.874 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.587 -0.180 -4.412 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.369 -0.141 -3.162 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.534 2.339 -3.134 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.762 2.274 -4.401 1.00 0.00 H -ATOM 244 HD2 ARG A 16 5.029 1.120 -5.838 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.833 1.483 -4.587 1.00 0.00 H -ATOM 246 HE ARG A 16 3.843 3.705 -5.240 1.00 0.00 H -ATOM 247 HH11 ARG A 16 6.545 2.161 -6.819 1.00 0.00 H -ATOM 248 HH12 ARG A 16 6.918 3.536 -7.824 1.00 0.00 H -ATOM 249 HH21 ARG A 16 4.328 5.470 -6.560 1.00 0.00 H -ATOM 250 HH22 ARG A 16 5.659 5.373 -7.669 1.00 0.00 H -ATOM 251 N PRO A 17 7.221 2.269 -0.859 1.00 0.00 N -ATOM 252 CA PRO A 17 6.705 2.983 0.318 1.00 0.00 C -ATOM 253 C PRO A 17 5.183 3.245 0.249 1.00 0.00 C -ATOM 254 O PRO A 17 4.594 3.146 -0.833 1.00 0.00 O -ATOM 255 CB PRO A 17 7.498 4.298 0.370 1.00 0.00 C -ATOM 256 CG PRO A 17 7.885 4.544 -1.084 1.00 0.00 C -ATOM 257 CD PRO A 17 8.134 3.131 -1.601 1.00 0.00 C -ATOM 258 HA PRO A 17 6.917 2.397 1.214 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.889 5.098 0.744 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.399 4.155 0.967 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.088 5.020 -1.623 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.772 5.172 -1.170 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.928 3.076 -2.653 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.163 2.835 -1.385 1.00 0.00 H -ATOM 265 N PRO A 18 4.535 3.602 1.379 1.00 0.00 N -ATOM 266 CA PRO A 18 3.098 3.869 1.415 1.00 0.00 C -ATOM 267 C PRO A 18 2.719 5.165 0.669 1.00 0.00 C -ATOM 268 O PRO A 18 3.544 6.071 0.542 1.00 0.00 O -ATOM 269 CB PRO A 18 2.731 3.957 2.902 1.00 0.00 C -ATOM 270 CG PRO A 18 4.030 4.415 3.560 1.00 0.00 C -ATOM 271 CD PRO A 18 5.106 3.739 2.712 1.00 0.00 C -ATOM 272 HA PRO A 18 2.577 3.026 0.967 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.947 4.671 3.062 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.465 2.968 3.271 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.125 5.483 3.523 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.086 4.106 4.605 1.00 0.00 H -ATOM 277 HD2 PRO A 18 5.991 4.345 2.679 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.326 2.749 3.115 1.00 0.00 H -ATOM 279 N PRO A 19 1.459 5.284 0.203 1.00 0.00 N -ATOM 280 CA PRO A 19 0.978 6.448 -0.545 1.00 0.00 C -ATOM 281 C PRO A 19 0.572 7.643 0.336 1.00 0.00 C -ATOM 282 O PRO A 19 0.552 8.771 -0.151 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.242 5.929 -1.311 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.801 4.845 -0.388 1.00 0.00 C -ATOM 285 CD PRO A 19 0.449 4.236 0.235 1.00 0.00 C -ATOM 286 HA PRO A 19 1.734 6.784 -1.254 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.960 6.711 -1.465 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.084 5.476 -2.248 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.437 5.271 0.364 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.352 4.094 -0.947 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.254 3.936 1.246 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.782 3.395 -0.374 1.00 0.00 H -ATOM 293 N SER A 20 0.203 7.390 1.598 1.00 0.00 N -ATOM 294 CA SER A 20 -0.287 8.373 2.572 1.00 0.00 C -ATOM 295 C SER A 20 -0.081 7.848 3.993 1.00 0.00 C -ATOM 296 O SER A 20 -0.913 6.978 4.355 1.00 0.00 O -ATOM 297 CB SER A 20 -1.774 8.674 2.311 1.00 0.00 C -ATOM 298 OG SER A 20 -2.506 7.508 2.636 1.00 0.00 O -ATOM 299 OXT SER A 20 0.876 8.292 4.654 1.00 0.00 O -ATOM 300 H SER A 20 0.248 6.431 1.907 1.00 0.00 H -ATOM 301 HA SER A 20 0.288 9.295 2.477 1.00 0.00 H -ATOM 302 HB2 SER A 20 -2.096 9.492 2.926 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.935 8.957 1.270 1.00 0.00 H -ATOM 304 HG SER A 20 -1.946 7.163 3.425 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 36 -ATOM 1 N ASN A 1 -8.345 5.007 0.601 1.00 0.00 N -ATOM 2 CA ASN A 1 -8.415 4.187 -0.632 1.00 0.00 C -ATOM 3 C ASN A 1 -7.045 3.669 -1.059 1.00 0.00 C -ATOM 4 O ASN A 1 -6.816 2.479 -0.901 1.00 0.00 O -ATOM 5 CB ASN A 1 -9.197 4.893 -1.758 1.00 0.00 C -ATOM 6 CG ASN A 1 -10.643 5.166 -1.337 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -10.996 4.994 -0.179 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -11.503 5.612 -2.232 1.00 0.00 N -ATOM 9 H1 ASN A 1 -7.873 4.502 1.338 1.00 0.00 H -ATOM 10 H2 ASN A 1 -7.870 5.880 0.423 1.00 0.00 H -ATOM 11 H3 ASN A 1 -9.297 5.207 0.895 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.987 3.291 -0.382 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.717 5.825 -1.987 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -9.208 4.248 -2.640 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -11.263 5.791 -3.194 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -12.436 5.760 -1.880 1.00 0.00 H -ATOM 17 N LEU A 2 -6.121 4.518 -1.533 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.809 4.093 -2.051 1.00 0.00 C -ATOM 19 C LEU A 2 -4.031 3.175 -1.085 1.00 0.00 C -ATOM 20 O LEU A 2 -3.434 2.185 -1.506 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.963 5.337 -2.400 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.300 6.102 -3.694 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -4.155 5.211 -4.929 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -5.687 6.754 -3.691 1.00 0.00 C -ATOM 25 H LEU A 2 -6.348 5.491 -1.680 1.00 0.00 H -ATOM 26 HA LEU A 2 -4.967 3.507 -2.957 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -4.062 6.029 -1.586 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.931 5.009 -2.510 1.00 0.00 H -ATOM 29 HG LEU A 2 -3.568 6.906 -3.783 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -3.189 4.708 -4.910 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -4.950 4.465 -4.963 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.210 5.824 -5.829 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -6.467 5.996 -3.738 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -5.803 7.376 -2.804 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -5.778 7.392 -4.570 1.00 0.00 H -ATOM 36 N TYR A 3 -4.080 3.473 0.219 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.443 2.669 1.265 1.00 0.00 C -ATOM 38 C TYR A 3 -3.970 1.221 1.326 1.00 0.00 C -ATOM 39 O TYR A 3 -3.220 0.316 1.685 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.618 3.386 2.614 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.451 3.202 3.563 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.336 2.022 4.319 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -1.484 4.220 3.700 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.266 1.859 5.218 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -0.422 4.070 4.610 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.314 2.887 5.374 1.00 0.00 C -ATOM 47 OH TYR A 3 0.689 2.738 6.281 1.00 0.00 O -ATOM 48 H TYR A 3 -4.533 4.332 0.484 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.376 2.623 1.045 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -3.738 4.435 2.426 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.533 3.034 3.097 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.073 1.242 4.208 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -1.561 5.130 3.117 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.168 0.961 5.808 1.00 0.00 H -ATOM 55 HE2 TYR A 3 0.304 4.861 4.721 1.00 0.00 H -ATOM 56 HH TYR A 3 1.122 3.570 6.477 1.00 0.00 H -ATOM 57 N ILE A 4 -5.233 0.982 0.940 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.848 -0.352 0.877 1.00 0.00 C -ATOM 59 C ILE A 4 -5.163 -1.178 -0.214 1.00 0.00 C -ATOM 60 O ILE A 4 -4.701 -2.283 0.059 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.377 -0.269 0.636 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.108 0.711 1.586 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -8.024 -1.663 0.703 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.003 0.381 3.081 1.00 0.00 C -ATOM 65 H ILE A 4 -5.759 1.748 0.533 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.674 -0.861 1.826 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.542 0.099 -0.378 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -7.695 1.690 1.433 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -9.164 0.739 1.316 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.622 -2.307 -0.080 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.834 -2.127 1.670 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.101 -1.579 0.552 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -8.525 -0.550 3.300 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -6.959 0.295 3.382 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.466 1.184 3.656 1.00 0.00 H -ATOM 76 N GLN A 5 -5.052 -0.619 -1.428 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.299 -1.207 -2.540 1.00 0.00 C -ATOM 78 C GLN A 5 -2.854 -1.505 -2.123 1.00 0.00 C -ATOM 79 O GLN A 5 -2.421 -2.646 -2.248 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.364 -0.280 -3.767 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.703 -0.407 -4.512 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.997 0.832 -5.354 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -6.747 1.710 -4.957 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -5.409 0.958 -6.528 1.00 0.00 N -ATOM 85 H GLN A 5 -5.422 0.315 -1.546 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.752 -2.163 -2.806 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.243 0.735 -3.441 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.560 -0.532 -4.460 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.663 -1.264 -5.156 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.516 -0.529 -3.797 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -4.765 0.277 -6.894 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -5.664 1.794 -7.028 1.00 0.00 H -ATOM 93 N TRP A 6 -2.139 -0.521 -1.559 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.764 -0.708 -1.080 1.00 0.00 C -ATOM 95 C TRP A 6 -0.621 -1.821 -0.023 1.00 0.00 C -ATOM 96 O TRP A 6 0.282 -2.655 -0.123 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.226 0.624 -0.556 1.00 0.00 C -ATOM 98 CG TRP A 6 1.177 0.552 -0.041 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.291 0.506 -0.805 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.636 0.472 1.346 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.401 0.391 0.008 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.059 0.386 1.338 1.00 0.00 C -ATOM 103 CE3 TRP A 6 1.004 0.469 2.607 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.822 0.325 2.511 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.758 0.393 3.795 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.163 0.337 3.750 1.00 0.00 C -ATOM 107 H TRP A 6 -2.566 0.400 -1.493 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.148 -1.012 -1.929 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.256 1.338 -1.356 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.872 0.979 0.246 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.305 0.538 -1.888 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.371 0.349 -0.315 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.074 0.535 2.657 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.900 0.268 2.446 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.258 0.397 4.753 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.733 0.301 4.667 1.00 0.00 H -ATOM 117 N LEU A 7 -1.520 -1.885 0.971 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.546 -3.008 1.915 1.00 0.00 C -ATOM 119 C LEU A 7 -1.821 -4.345 1.210 1.00 0.00 C -ATOM 120 O LEU A 7 -1.199 -5.346 1.565 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.568 -2.758 3.038 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.110 -1.733 4.094 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.291 -1.398 5.011 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -0.966 -2.250 4.977 1.00 0.00 C -ATOM 125 H LEU A 7 -2.224 -1.155 1.053 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.553 -3.100 2.352 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.476 -2.399 2.593 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.769 -3.700 3.549 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.780 -0.823 3.598 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.097 -0.955 4.426 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.659 -2.303 5.495 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.979 -0.690 5.779 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.320 -3.059 5.617 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.139 -2.614 4.372 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.594 -1.440 5.602 1.00 0.00 H -ATOM 136 N LYS A 8 -2.683 -4.366 0.182 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.015 -5.563 -0.608 1.00 0.00 C -ATOM 138 C LYS A 8 -1.848 -6.159 -1.409 1.00 0.00 C -ATOM 139 O LYS A 8 -1.978 -7.286 -1.891 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.151 -5.246 -1.594 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.168 -6.394 -1.663 1.00 0.00 C -ATOM 142 CD LYS A 8 -5.900 -6.429 -3.012 1.00 0.00 C -ATOM 143 CE LYS A 8 -5.280 -7.448 -3.983 1.00 0.00 C -ATOM 144 NZ LYS A 8 -3.846 -7.183 -4.280 1.00 0.00 N -ATOM 145 H LYS A 8 -3.170 -3.498 -0.036 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.348 -6.330 0.093 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.653 -4.353 -1.273 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.719 -5.054 -2.577 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -4.651 -7.324 -1.524 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.894 -6.248 -0.863 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.926 -6.694 -2.842 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -5.919 -5.435 -3.463 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -5.363 -8.426 -3.549 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -5.865 -7.435 -4.907 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -3.724 -6.252 -4.654 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -3.274 -7.269 -3.437 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -3.500 -7.847 -4.959 1.00 0.00 H -ATOM 158 N ASP A 9 -0.761 -5.409 -1.606 1.00 0.00 N -ATOM 159 CA ASP A 9 0.518 -5.887 -2.146 1.00 0.00 C -ATOM 160 C ASP A 9 1.477 -6.413 -1.062 1.00 0.00 C -ATOM 161 O ASP A 9 2.507 -6.993 -1.402 1.00 0.00 O -ATOM 162 CB ASP A 9 1.203 -4.746 -2.916 1.00 0.00 C -ATOM 163 CG ASP A 9 0.565 -4.528 -4.288 1.00 0.00 C -ATOM 164 OD1 ASP A 9 0.935 -5.288 -5.208 1.00 0.00 O -ATOM 165 OD2 ASP A 9 -0.287 -3.621 -4.405 1.00 0.00 O -ATOM 166 H ASP A 9 -0.838 -4.424 -1.369 1.00 0.00 H -ATOM 167 HA ASP A 9 0.340 -6.709 -2.843 1.00 0.00 H -ATOM 168 HB2 ASP A 9 1.118 -3.841 -2.345 1.00 0.00 H -ATOM 169 HB3 ASP A 9 2.251 -4.998 -3.073 1.00 0.00 H -ATOM 170 N GLY A 10 1.166 -6.210 0.226 1.00 0.00 N -ATOM 171 CA GLY A 10 1.990 -6.622 1.367 1.00 0.00 C -ATOM 172 C GLY A 10 2.542 -5.464 2.208 1.00 0.00 C -ATOM 173 O GLY A 10 3.334 -5.711 3.115 1.00 0.00 O -ATOM 174 H GLY A 10 0.272 -5.773 0.437 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.386 -7.249 2.021 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.837 -7.217 1.024 1.00 0.00 H -ATOM 177 N GLY A 11 2.159 -4.210 1.925 1.00 0.00 N -ATOM 178 CA GLY A 11 2.661 -3.046 2.655 1.00 0.00 C -ATOM 179 C GLY A 11 4.200 -2.979 2.631 1.00 0.00 C -ATOM 180 O GLY A 11 4.782 -3.116 1.550 1.00 0.00 O -ATOM 181 H GLY A 11 1.535 -4.045 1.144 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.267 -2.143 2.192 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.290 -3.099 3.676 1.00 0.00 H -ATOM 184 N PRO A 12 4.884 -2.799 3.785 1.00 0.00 N -ATOM 185 CA PRO A 12 6.347 -2.733 3.841 1.00 0.00 C -ATOM 186 C PRO A 12 7.047 -3.937 3.195 1.00 0.00 C -ATOM 187 O PRO A 12 8.110 -3.775 2.595 1.00 0.00 O -ATOM 188 CB PRO A 12 6.717 -2.624 5.327 1.00 0.00 C -ATOM 189 CG PRO A 12 5.445 -2.101 5.991 1.00 0.00 C -ATOM 190 CD PRO A 12 4.334 -2.698 5.130 1.00 0.00 C -ATOM 191 HA PRO A 12 6.671 -1.826 3.329 1.00 0.00 H -ATOM 192 HB2 PRO A 12 6.987 -3.584 5.724 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.555 -1.942 5.483 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.372 -2.442 7.006 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.418 -1.013 5.926 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.059 -3.669 5.495 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.452 -2.058 5.170 1.00 0.00 H -ATOM 198 N SER A 13 6.446 -5.136 3.263 1.00 0.00 N -ATOM 199 CA SER A 13 7.011 -6.363 2.690 1.00 0.00 C -ATOM 200 C SER A 13 7.149 -6.316 1.165 1.00 0.00 C -ATOM 201 O SER A 13 7.983 -7.035 0.623 1.00 0.00 O -ATOM 202 CB SER A 13 6.153 -7.573 3.073 1.00 0.00 C -ATOM 203 OG SER A 13 6.053 -7.692 4.480 1.00 0.00 O -ATOM 204 H SER A 13 5.546 -5.219 3.725 1.00 0.00 H -ATOM 205 HA SER A 13 8.010 -6.507 3.102 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.170 -7.453 2.659 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.605 -8.481 2.668 1.00 0.00 H -ATOM 208 HG SER A 13 6.911 -7.936 4.835 1.00 0.00 H -ATOM 209 N SER A 14 6.381 -5.460 0.473 1.00 0.00 N -ATOM 210 CA SER A 14 6.506 -5.250 -0.977 1.00 0.00 C -ATOM 211 C SER A 14 7.628 -4.264 -1.351 1.00 0.00 C -ATOM 212 O SER A 14 7.865 -4.012 -2.530 1.00 0.00 O -ATOM 213 CB SER A 14 5.167 -4.770 -1.558 1.00 0.00 C -ATOM 214 OG SER A 14 4.894 -5.465 -2.757 1.00 0.00 O -ATOM 215 H SER A 14 5.734 -4.866 0.986 1.00 0.00 H -ATOM 216 HA SER A 14 6.748 -6.210 -1.440 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.383 -4.958 -0.850 1.00 0.00 H -ATOM 218 HB3 SER A 14 5.209 -3.700 -1.766 1.00 0.00 H -ATOM 219 HG SER A 14 3.943 -5.622 -2.814 1.00 0.00 H -ATOM 220 N GLY A 15 8.305 -3.650 -0.369 1.00 0.00 N -ATOM 221 CA GLY A 15 9.425 -2.723 -0.566 1.00 0.00 C -ATOM 222 C GLY A 15 9.041 -1.328 -1.080 1.00 0.00 C -ATOM 223 O GLY A 15 9.718 -0.356 -0.750 1.00 0.00 O -ATOM 224 H GLY A 15 8.061 -3.868 0.595 1.00 0.00 H -ATOM 225 HA2 GLY A 15 9.946 -2.602 0.385 1.00 0.00 H -ATOM 226 HA3 GLY A 15 10.124 -3.163 -1.277 1.00 0.00 H -ATOM 227 N ARG A 16 7.963 -1.202 -1.869 1.00 0.00 N -ATOM 228 CA ARG A 16 7.437 0.089 -2.339 1.00 0.00 C -ATOM 229 C ARG A 16 6.901 0.917 -1.155 1.00 0.00 C -ATOM 230 O ARG A 16 6.143 0.369 -0.352 1.00 0.00 O -ATOM 231 CB ARG A 16 6.345 -0.153 -3.399 1.00 0.00 C -ATOM 232 CG ARG A 16 6.052 1.130 -4.193 1.00 0.00 C -ATOM 233 CD ARG A 16 5.045 0.908 -5.333 1.00 0.00 C -ATOM 234 NE ARG A 16 5.431 1.681 -6.532 1.00 0.00 N -ATOM 235 CZ ARG A 16 5.978 1.218 -7.653 1.00 0.00 C -ATOM 236 NH1 ARG A 16 6.157 -0.064 -7.871 1.00 0.00 N -ATOM 237 NH2 ARG A 16 6.370 2.053 -8.588 1.00 0.00 N -ATOM 238 H ARG A 16 7.514 -2.068 -2.147 1.00 0.00 H -ATOM 239 HA ARG A 16 8.272 0.615 -2.801 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.677 -0.916 -4.076 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.432 -0.513 -2.923 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.653 1.865 -3.521 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.992 1.485 -4.616 1.00 0.00 H -ATOM 244 HD2 ARG A 16 5.018 -0.136 -5.581 1.00 0.00 H -ATOM 245 HD3 ARG A 16 4.058 1.230 -4.997 1.00 0.00 H -ATOM 246 HE ARG A 16 5.320 2.679 -6.467 1.00 0.00 H -ATOM 247 HH11 ARG A 16 5.847 -0.713 -7.171 1.00 0.00 H -ATOM 248 HH12 ARG A 16 6.562 -0.400 -8.725 1.00 0.00 H -ATOM 249 HH21 ARG A 16 6.273 3.046 -8.463 1.00 0.00 H -ATOM 250 HH22 ARG A 16 6.787 1.699 -9.428 1.00 0.00 H -ATOM 251 N PRO A 17 7.223 2.224 -1.040 1.00 0.00 N -ATOM 252 CA PRO A 17 6.725 3.069 0.048 1.00 0.00 C -ATOM 253 C PRO A 17 5.198 3.267 -0.012 1.00 0.00 C -ATOM 254 O PRO A 17 4.600 3.082 -1.075 1.00 0.00 O -ATOM 255 CB PRO A 17 7.472 4.402 -0.100 1.00 0.00 C -ATOM 256 CG PRO A 17 7.803 4.461 -1.589 1.00 0.00 C -ATOM 257 CD PRO A 17 8.084 2.999 -1.923 1.00 0.00 C -ATOM 258 HA PRO A 17 6.988 2.611 1.003 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.847 5.226 0.187 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.397 4.366 0.477 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.973 4.836 -2.156 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.662 5.098 -1.791 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.847 2.797 -2.950 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.128 2.763 -1.708 1.00 0.00 H -ATOM 265 N PRO A 18 4.558 3.663 1.109 1.00 0.00 N -ATOM 266 CA PRO A 18 3.118 3.895 1.157 1.00 0.00 C -ATOM 267 C PRO A 18 2.704 5.139 0.350 1.00 0.00 C -ATOM 268 O PRO A 18 3.494 6.075 0.206 1.00 0.00 O -ATOM 269 CB PRO A 18 2.775 4.055 2.641 1.00 0.00 C -ATOM 270 CG PRO A 18 4.071 4.582 3.251 1.00 0.00 C -ATOM 271 CD PRO A 18 5.151 3.896 2.419 1.00 0.00 C -ATOM 272 HA PRO A 18 2.608 3.020 0.760 1.00 0.00 H -ATOM 273 HB2 PRO A 18 1.974 4.756 2.776 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.543 3.080 3.070 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.134 5.649 3.159 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.154 4.332 4.308 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.013 4.529 2.331 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.412 2.939 2.872 1.00 0.00 H -ATOM 279 N PRO A 19 1.454 5.184 -0.142 1.00 0.00 N -ATOM 280 CA PRO A 19 0.910 6.335 -0.849 1.00 0.00 C -ATOM 281 C PRO A 19 0.561 7.461 0.136 1.00 0.00 C -ATOM 282 O PRO A 19 -0.109 7.228 1.144 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.325 5.804 -1.578 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.816 4.675 -0.671 1.00 0.00 C -ATOM 285 CD PRO A 19 0.464 4.121 -0.057 1.00 0.00 C -ATOM 286 HA PRO A 19 1.631 6.703 -1.581 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.071 6.569 -1.676 1.00 0.00 H -ATOM 288 HB3 PRO A 19 -0.024 5.388 -2.541 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.472 5.053 0.089 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.335 3.905 -1.236 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.297 3.850 0.968 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.811 3.272 -0.645 1.00 0.00 H -ATOM 293 N SER A 20 1.026 8.673 -0.178 1.00 0.00 N -ATOM 294 CA SER A 20 0.698 9.933 0.494 1.00 0.00 C -ATOM 295 C SER A 20 -0.638 10.528 0.034 1.00 0.00 C -ATOM 296 O SER A 20 -1.052 10.270 -1.120 1.00 0.00 O -ATOM 297 CB SER A 20 1.845 10.928 0.290 1.00 0.00 C -ATOM 298 OG SER A 20 2.324 10.900 -1.046 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.231 11.239 0.875 1.00 0.00 O -ATOM 300 H SER A 20 1.554 8.807 -1.028 1.00 0.00 H -ATOM 301 HA SER A 20 0.586 9.752 1.561 1.00 0.00 H -ATOM 302 HB2 SER A 20 1.493 11.917 0.514 1.00 0.00 H -ATOM 303 HB3 SER A 20 2.664 10.654 0.959 1.00 0.00 H -ATOM 304 HG SER A 20 2.939 11.625 -1.177 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 37 -ATOM 1 N ASN A 1 -5.798 7.479 0.401 1.00 0.00 N -ATOM 2 CA ASN A 1 -6.588 7.022 -0.767 1.00 0.00 C -ATOM 3 C ASN A 1 -6.199 5.613 -1.207 1.00 0.00 C -ATOM 4 O ASN A 1 -7.021 4.713 -1.096 1.00 0.00 O -ATOM 5 CB ASN A 1 -6.557 8.030 -1.932 1.00 0.00 C -ATOM 6 CG ASN A 1 -7.956 8.586 -2.147 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -8.343 9.541 -1.498 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -8.767 7.973 -2.991 1.00 0.00 N -ATOM 9 H1 ASN A 1 -5.816 6.777 1.127 1.00 0.00 H -ATOM 10 H2 ASN A 1 -4.838 7.655 0.131 1.00 0.00 H -ATOM 11 H3 ASN A 1 -6.193 8.335 0.767 1.00 0.00 H -ATOM 12 HA ASN A 1 -7.627 6.938 -0.443 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -5.884 8.832 -1.696 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -6.214 7.562 -2.856 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -8.509 7.171 -3.541 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -9.676 8.400 -3.071 1.00 0.00 H -ATOM 17 N LEU A 2 -4.963 5.401 -1.676 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.527 4.127 -2.262 1.00 0.00 C -ATOM 19 C LEU A 2 -4.002 3.108 -1.223 1.00 0.00 C -ATOM 20 O LEU A 2 -3.490 2.051 -1.588 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.515 4.448 -3.386 1.00 0.00 C -ATOM 22 CG LEU A 2 -3.518 3.386 -4.508 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.924 3.985 -5.857 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -2.165 2.687 -4.652 1.00 0.00 C -ATOM 25 H LEU A 2 -4.310 6.167 -1.771 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.403 3.668 -2.726 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.766 5.400 -3.813 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -2.516 4.554 -2.964 1.00 0.00 H -ATOM 29 HG LEU A 2 -4.262 2.639 -4.267 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -4.932 4.396 -5.784 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -3.228 4.767 -6.155 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -3.936 3.199 -6.614 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -1.412 3.394 -5.001 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -1.857 2.272 -3.692 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -2.253 1.872 -5.370 1.00 0.00 H -ATOM 36 N TYR A 3 -4.143 3.405 0.077 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.594 2.622 1.192 1.00 0.00 C -ATOM 38 C TYR A 3 -4.041 1.158 1.165 1.00 0.00 C -ATOM 39 O TYR A 3 -3.239 0.261 1.408 1.00 0.00 O -ATOM 40 CB TYR A 3 -3.976 3.276 2.532 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.857 3.224 3.553 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -2.508 2.017 4.182 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -2.132 4.392 3.837 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -1.412 1.972 5.068 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -1.039 4.360 4.722 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.662 3.140 5.323 1.00 0.00 C -ATOM 47 OH TYR A 3 0.439 3.086 6.118 1.00 0.00 O -ATOM 48 H TYR A 3 -4.628 4.258 0.296 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.507 2.635 1.105 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.228 4.303 2.352 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.863 2.793 2.949 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -3.069 1.122 3.968 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -2.417 5.309 3.354 1.00 0.00 H -ATOM 54 HE1 TYR A 3 -1.123 1.050 5.550 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -0.485 5.260 4.942 1.00 0.00 H -ATOM 56 HH TYR A 3 0.954 3.895 6.046 1.00 0.00 H -ATOM 57 N ILE A 4 -5.313 0.913 0.819 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.875 -0.433 0.687 1.00 0.00 C -ATOM 59 C ILE A 4 -5.150 -1.213 -0.419 1.00 0.00 C -ATOM 60 O ILE A 4 -4.782 -2.367 -0.218 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.404 -0.376 0.441 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.133 0.538 1.461 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.996 -1.794 0.489 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.579 1.867 0.834 1.00 0.00 C -ATOM 65 H ILE A 4 -5.909 1.712 0.664 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.703 -0.963 1.625 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.582 0.014 -0.564 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -8.999 0.022 1.830 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.484 0.744 2.314 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.610 -2.395 -0.333 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.734 -2.278 1.431 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -9.082 -1.752 0.406 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.781 2.293 0.225 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.456 1.698 0.209 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.839 2.575 1.623 1.00 0.00 H -ATOM 76 N GLN A 5 -4.916 -0.587 -1.582 1.00 0.00 N -ATOM 77 CA GLN A 5 -4.177 -1.207 -2.684 1.00 0.00 C -ATOM 78 C GLN A 5 -2.695 -1.416 -2.351 1.00 0.00 C -ATOM 79 O GLN A 5 -2.131 -2.431 -2.746 1.00 0.00 O -ATOM 80 CB GLN A 5 -4.323 -0.379 -3.966 1.00 0.00 C -ATOM 81 CG GLN A 5 -5.742 -0.393 -4.567 1.00 0.00 C -ATOM 82 CD GLN A 5 -6.425 0.974 -4.548 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -6.408 1.714 -5.514 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -7.071 1.361 -3.464 1.00 0.00 N -ATOM 85 H GLN A 5 -5.081 0.408 -1.625 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.585 -2.193 -2.872 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.062 0.637 -3.742 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.636 -0.777 -4.715 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -5.677 -0.726 -5.585 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -6.369 -1.116 -4.046 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -7.192 0.797 -2.646 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -7.525 2.252 -3.586 1.00 0.00 H -ATOM 93 N TRP A 6 -2.077 -0.504 -1.595 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.720 -0.701 -1.084 1.00 0.00 C -ATOM 95 C TRP A 6 -0.636 -1.874 -0.089 1.00 0.00 C -ATOM 96 O TRP A 6 0.249 -2.721 -0.206 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.212 0.612 -0.482 1.00 0.00 C -ATOM 98 CG TRP A 6 1.182 0.533 0.054 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.314 0.521 -0.685 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.608 0.404 1.443 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.408 0.380 0.147 1.00 0.00 N -ATOM 102 CE2 TRP A 6 3.031 0.317 1.470 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.937 0.364 2.685 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.755 0.214 2.665 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.654 0.247 3.892 1.00 0.00 C -ATOM 106 CH2 TRP A 6 3.057 0.179 3.883 1.00 0.00 C -ATOM 107 H TRP A 6 -2.581 0.349 -1.361 1.00 0.00 H -ATOM 108 HA TRP A 6 -0.070 -0.958 -1.922 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.239 1.366 -1.245 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.876 0.919 0.324 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.354 0.591 -1.764 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.380 0.346 -0.171 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.140 0.441 2.699 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.832 0.162 2.632 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 1.123 0.229 4.833 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.599 0.110 4.815 1.00 0.00 H -ATOM 117 N LEU A 7 -1.578 -1.972 0.862 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.635 -3.091 1.807 1.00 0.00 C -ATOM 119 C LEU A 7 -1.938 -4.442 1.140 1.00 0.00 C -ATOM 120 O LEU A 7 -1.409 -5.445 1.613 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.649 -2.806 2.929 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.162 -1.784 3.974 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.325 -1.421 4.903 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.020 -2.318 4.848 1.00 0.00 C -ATOM 125 H LEU A 7 -2.263 -1.224 0.945 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.647 -3.201 2.250 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.548 -2.428 2.482 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.870 -3.739 3.450 1.00 0.00 H -ATOM 129 HG LEU A 7 -1.826 -0.882 3.469 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.144 -0.999 4.320 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.677 -2.310 5.426 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -2.996 -0.686 5.638 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.350 -3.197 5.402 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.162 -2.584 4.235 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -0.705 -1.549 5.553 1.00 0.00 H -ATOM 136 N LYS A 8 -2.727 -4.482 0.050 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.029 -5.712 -0.710 1.00 0.00 C -ATOM 138 C LYS A 8 -1.781 -6.486 -1.146 1.00 0.00 C -ATOM 139 O LYS A 8 -1.824 -7.713 -1.157 1.00 0.00 O -ATOM 140 CB LYS A 8 -3.877 -5.403 -1.959 1.00 0.00 C -ATOM 141 CG LYS A 8 -5.382 -5.303 -1.680 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.121 -4.820 -2.936 1.00 0.00 C -ATOM 143 CE LYS A 8 -7.604 -4.569 -2.640 1.00 0.00 C -ATOM 144 NZ LYS A 8 -8.094 -3.337 -3.303 1.00 0.00 N -ATOM 145 H LYS A 8 -3.183 -3.613 -0.220 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.587 -6.394 -0.066 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -3.547 -4.468 -2.369 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.735 -6.199 -2.691 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.755 -6.268 -1.398 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -5.561 -4.609 -0.862 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -5.672 -3.907 -3.278 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.030 -5.569 -3.726 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -8.176 -5.405 -2.994 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -7.739 -4.483 -1.558 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -7.671 -2.528 -2.870 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -7.852 -3.348 -4.286 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -9.100 -3.265 -3.217 1.00 0.00 H -ATOM 158 N ASP A 9 -0.706 -5.789 -1.524 1.00 0.00 N -ATOM 159 CA ASP A 9 0.553 -6.406 -1.949 1.00 0.00 C -ATOM 160 C ASP A 9 1.294 -7.047 -0.758 1.00 0.00 C -ATOM 161 O ASP A 9 1.606 -8.237 -0.786 1.00 0.00 O -ATOM 162 CB ASP A 9 1.394 -5.344 -2.675 1.00 0.00 C -ATOM 163 CG ASP A 9 2.486 -5.969 -3.549 1.00 0.00 C -ATOM 164 OD1 ASP A 9 3.523 -6.378 -2.986 1.00 0.00 O -ATOM 165 OD2 ASP A 9 2.263 -6.015 -4.778 1.00 0.00 O -ATOM 166 H ASP A 9 -0.768 -4.780 -1.507 1.00 0.00 H -ATOM 167 HA ASP A 9 0.326 -7.201 -2.662 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.747 -4.757 -3.298 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.836 -4.661 -1.952 1.00 0.00 H -ATOM 170 N GLY A 10 1.509 -6.275 0.317 1.00 0.00 N -ATOM 171 CA GLY A 10 2.156 -6.749 1.545 1.00 0.00 C -ATOM 172 C GLY A 10 2.683 -5.650 2.474 1.00 0.00 C -ATOM 173 O GLY A 10 3.675 -5.864 3.179 1.00 0.00 O -ATOM 174 H GLY A 10 1.256 -5.305 0.206 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.435 -7.344 2.107 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.991 -7.399 1.279 1.00 0.00 H -ATOM 177 N GLY A 11 2.059 -4.463 2.477 1.00 0.00 N -ATOM 178 CA GLY A 11 2.499 -3.312 3.269 1.00 0.00 C -ATOM 179 C GLY A 11 3.991 -2.994 3.056 1.00 0.00 C -ATOM 180 O GLY A 11 4.434 -2.979 1.903 1.00 0.00 O -ATOM 181 H GLY A 11 1.253 -4.352 1.879 1.00 0.00 H -ATOM 182 HA2 GLY A 11 1.923 -2.437 2.974 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.296 -3.527 4.316 1.00 0.00 H -ATOM 184 N PRO A 12 4.793 -2.762 4.118 1.00 0.00 N -ATOM 185 CA PRO A 12 6.229 -2.487 3.995 1.00 0.00 C -ATOM 186 C PRO A 12 7.028 -3.585 3.274 1.00 0.00 C -ATOM 187 O PRO A 12 8.076 -3.294 2.700 1.00 0.00 O -ATOM 188 CB PRO A 12 6.752 -2.306 5.426 1.00 0.00 C -ATOM 189 CG PRO A 12 5.507 -2.017 6.260 1.00 0.00 C -ATOM 190 CD PRO A 12 4.401 -2.765 5.520 1.00 0.00 C -ATOM 191 HA PRO A 12 6.358 -1.552 3.450 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.237 -3.200 5.768 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.469 -1.487 5.487 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.620 -2.390 7.260 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.297 -0.947 6.247 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.322 -3.771 5.884 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.446 -2.266 5.679 1.00 0.00 H -ATOM 198 N SER A 13 6.542 -4.835 3.272 1.00 0.00 N -ATOM 199 CA SER A 13 7.225 -5.960 2.613 1.00 0.00 C -ATOM 200 C SER A 13 7.090 -5.923 1.084 1.00 0.00 C -ATOM 201 O SER A 13 7.812 -6.639 0.397 1.00 0.00 O -ATOM 202 CB SER A 13 6.715 -7.304 3.143 1.00 0.00 C -ATOM 203 OG SER A 13 6.868 -7.384 4.548 1.00 0.00 O -ATOM 204 H SER A 13 5.615 -5.000 3.652 1.00 0.00 H -ATOM 205 HA SER A 13 8.289 -5.899 2.846 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.676 -7.407 2.896 1.00 0.00 H -ATOM 207 HB3 SER A 13 7.295 -8.107 2.686 1.00 0.00 H -ATOM 208 HG SER A 13 6.175 -6.863 4.961 1.00 0.00 H -ATOM 209 N SER A 14 6.215 -5.060 0.547 1.00 0.00 N -ATOM 210 CA SER A 14 5.985 -4.853 -0.893 1.00 0.00 C -ATOM 211 C SER A 14 7.162 -4.169 -1.609 1.00 0.00 C -ATOM 212 O SER A 14 7.144 -4.019 -2.829 1.00 0.00 O -ATOM 213 CB SER A 14 4.753 -3.963 -1.131 1.00 0.00 C -ATOM 214 OG SER A 14 3.717 -4.170 -0.195 1.00 0.00 O -ATOM 215 H SER A 14 5.645 -4.521 1.187 1.00 0.00 H -ATOM 216 HA SER A 14 5.802 -5.822 -1.361 1.00 0.00 H -ATOM 217 HB2 SER A 14 5.060 -2.936 -1.075 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.378 -4.145 -2.137 1.00 0.00 H -ATOM 219 HG SER A 14 3.940 -3.652 0.618 1.00 0.00 H -ATOM 220 N GLY A 15 8.149 -3.648 -0.867 1.00 0.00 N -ATOM 221 CA GLY A 15 9.308 -2.922 -1.397 1.00 0.00 C -ATOM 222 C GLY A 15 9.025 -1.456 -1.756 1.00 0.00 C -ATOM 223 O GLY A 15 9.889 -0.604 -1.556 1.00 0.00 O -ATOM 224 H GLY A 15 8.079 -3.767 0.134 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.105 -2.947 -0.656 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.666 -3.429 -2.292 1.00 0.00 H -ATOM 227 N ARG A 16 7.825 -1.141 -2.266 1.00 0.00 N -ATOM 228 CA ARG A 16 7.373 0.232 -2.551 1.00 0.00 C -ATOM 229 C ARG A 16 6.899 0.948 -1.262 1.00 0.00 C -ATOM 230 O ARG A 16 6.146 0.343 -0.492 1.00 0.00 O -ATOM 231 CB ARG A 16 6.251 0.175 -3.606 1.00 0.00 C -ATOM 232 CG ARG A 16 5.730 1.567 -4.005 1.00 0.00 C -ATOM 233 CD ARG A 16 4.469 1.519 -4.875 1.00 0.00 C -ATOM 234 NE ARG A 16 4.763 1.758 -6.300 1.00 0.00 N -ATOM 235 CZ ARG A 16 3.916 2.227 -7.208 1.00 0.00 C -ATOM 236 NH1 ARG A 16 2.658 2.472 -6.918 1.00 0.00 N -ATOM 237 NH2 ARG A 16 4.320 2.468 -8.433 1.00 0.00 N -ATOM 238 H ARG A 16 7.201 -1.921 -2.440 1.00 0.00 H -ATOM 239 HA ARG A 16 8.223 0.770 -2.970 1.00 0.00 H -ATOM 240 HB2 ARG A 16 6.631 -0.312 -4.483 1.00 0.00 H -ATOM 241 HB3 ARG A 16 5.424 -0.414 -3.204 1.00 0.00 H -ATOM 242 HG2 ARG A 16 5.505 2.115 -3.110 1.00 0.00 H -ATOM 243 HG3 ARG A 16 6.516 2.126 -4.513 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.016 0.551 -4.774 1.00 0.00 H -ATOM 245 HD3 ARG A 16 3.800 2.303 -4.511 1.00 0.00 H -ATOM 246 HE ARG A 16 5.706 1.581 -6.603 1.00 0.00 H -ATOM 247 HH11 ARG A 16 2.347 2.274 -5.983 1.00 0.00 H -ATOM 248 HH12 ARG A 16 2.019 2.829 -7.604 1.00 0.00 H -ATOM 249 HH21 ARG A 16 5.274 2.298 -8.697 1.00 0.00 H -ATOM 250 HH22 ARG A 16 3.671 2.823 -9.112 1.00 0.00 H -ATOM 251 N PRO A 17 7.238 2.239 -1.049 1.00 0.00 N -ATOM 252 CA PRO A 17 6.752 3.031 0.091 1.00 0.00 C -ATOM 253 C PRO A 17 5.220 3.248 0.078 1.00 0.00 C -ATOM 254 O PRO A 17 4.591 3.120 -0.974 1.00 0.00 O -ATOM 255 CB PRO A 17 7.502 4.368 0.005 1.00 0.00 C -ATOM 256 CG PRO A 17 7.850 4.499 -1.475 1.00 0.00 C -ATOM 257 CD PRO A 17 8.119 3.053 -1.878 1.00 0.00 C -ATOM 258 HA PRO A 17 7.029 2.523 1.014 1.00 0.00 H -ATOM 259 HB2 PRO A 17 6.875 5.179 0.323 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.421 4.310 0.590 1.00 0.00 H -ATOM 261 HG2 PRO A 17 7.030 4.911 -2.031 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.722 5.135 -1.635 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.895 2.907 -2.917 1.00 0.00 H -ATOM 264 HD3 PRO A 17 9.157 2.796 -1.662 1.00 0.00 H -ATOM 265 N PRO A 18 4.609 3.598 1.230 1.00 0.00 N -ATOM 266 CA PRO A 18 3.169 3.836 1.328 1.00 0.00 C -ATOM 267 C PRO A 18 2.742 5.156 0.656 1.00 0.00 C -ATOM 268 O PRO A 18 3.546 6.084 0.554 1.00 0.00 O -ATOM 269 CB PRO A 18 2.862 3.850 2.829 1.00 0.00 C -ATOM 270 CG PRO A 18 4.166 4.332 3.459 1.00 0.00 C -ATOM 271 CD PRO A 18 5.241 3.765 2.532 1.00 0.00 C -ATOM 272 HA PRO A 18 2.644 3.006 0.861 1.00 0.00 H -ATOM 273 HB2 PRO A 18 2.058 4.525 3.049 1.00 0.00 H -ATOM 274 HB3 PRO A 18 2.652 2.837 3.167 1.00 0.00 H -ATOM 275 HG2 PRO A 18 4.207 5.404 3.483 1.00 0.00 H -ATOM 276 HG3 PRO A 18 4.282 3.964 4.478 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.067 4.446 2.460 1.00 0.00 H -ATOM 278 HD3 PRO A 18 5.572 2.793 2.901 1.00 0.00 H -ATOM 279 N PRO A 19 1.469 5.271 0.226 1.00 0.00 N -ATOM 280 CA PRO A 19 0.934 6.477 -0.411 1.00 0.00 C -ATOM 281 C PRO A 19 0.511 7.576 0.577 1.00 0.00 C -ATOM 282 O PRO A 19 0.337 8.718 0.154 1.00 0.00 O -ATOM 283 CB PRO A 19 -0.292 5.993 -1.191 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.802 4.823 -0.346 1.00 0.00 C -ATOM 285 CD PRO A 19 0.482 4.200 0.195 1.00 0.00 C -ATOM 286 HA PRO A 19 1.665 6.898 -1.103 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -1.032 6.767 -1.264 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.019 5.632 -2.172 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -1.428 5.170 0.453 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -1.362 4.109 -0.947 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.321 3.813 1.183 1.00 0.00 H -ATOM 292 HD3 PRO A 19 0.825 3.424 -0.490 1.00 0.00 H -ATOM 293 N SER A 20 0.305 7.237 1.858 1.00 0.00 N -ATOM 294 CA SER A 20 -0.121 8.153 2.922 1.00 0.00 C -ATOM 295 C SER A 20 0.633 7.935 4.225 1.00 0.00 C -ATOM 296 O SER A 20 1.271 6.865 4.365 1.00 0.00 O -ATOM 297 CB SER A 20 -1.606 7.996 3.229 1.00 0.00 C -ATOM 298 OG SER A 20 -1.979 9.152 3.934 1.00 0.00 O -ATOM 299 OXT SER A 20 0.418 8.818 5.086 1.00 0.00 O -ATOM 300 H SER A 20 0.556 6.306 2.160 1.00 0.00 H -ATOM 301 HA SER A 20 0.065 9.179 2.607 1.00 0.00 H -ATOM 302 HB2 SER A 20 -2.169 7.916 2.319 1.00 0.00 H -ATOM 303 HB3 SER A 20 -1.742 7.145 3.893 1.00 0.00 H -ATOM 304 HG SER A 20 -1.222 9.307 4.547 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MODEL 38 -ATOM 1 N ASN A 1 -6.430 7.268 -0.166 1.00 0.00 N -ATOM 2 CA ASN A 1 -7.338 6.541 -1.083 1.00 0.00 C -ATOM 3 C ASN A 1 -6.741 5.186 -1.487 1.00 0.00 C -ATOM 4 O ASN A 1 -7.302 4.173 -1.103 1.00 0.00 O -ATOM 5 CB ASN A 1 -7.816 7.420 -2.263 1.00 0.00 C -ATOM 6 CG ASN A 1 -6.722 7.736 -3.278 1.00 0.00 C -ATOM 7 OD1 ASN A 1 -6.455 6.960 -4.175 1.00 0.00 O -ATOM 8 ND2 ASN A 1 -5.989 8.824 -3.136 1.00 0.00 N -ATOM 9 H1 ASN A 1 -6.139 6.658 0.586 1.00 0.00 H -ATOM 10 H2 ASN A 1 -5.611 7.592 -0.664 1.00 0.00 H -ATOM 11 H3 ASN A 1 -6.908 8.064 0.234 1.00 0.00 H -ATOM 12 HA ASN A 1 -8.233 6.285 -0.514 1.00 0.00 H -ATOM 13 HB2 ASN A 1 -8.609 6.904 -2.770 1.00 0.00 H -ATOM 14 HB3 ASN A 1 -8.228 8.355 -1.876 1.00 0.00 H -ATOM 15 HD21 ASN A 1 -6.187 9.584 -2.506 1.00 0.00 H -ATOM 16 HD22 ASN A 1 -5.321 8.935 -3.885 1.00 0.00 H -ATOM 17 N LEU A 2 -5.581 5.139 -2.154 1.00 0.00 N -ATOM 18 CA LEU A 2 -4.935 3.924 -2.679 1.00 0.00 C -ATOM 19 C LEU A 2 -4.238 3.028 -1.631 1.00 0.00 C -ATOM 20 O LEU A 2 -3.619 2.024 -1.985 1.00 0.00 O -ATOM 21 CB LEU A 2 -3.974 4.371 -3.806 1.00 0.00 C -ATOM 22 CG LEU A 2 -4.642 4.256 -5.191 1.00 0.00 C -ATOM 23 CD1 LEU A 2 -3.992 5.215 -6.190 1.00 0.00 C -ATOM 24 CD2 LEU A 2 -4.527 2.822 -5.718 1.00 0.00 C -ATOM 25 H LEU A 2 -5.206 6.000 -2.526 1.00 0.00 H -ATOM 26 HA LEU A 2 -5.713 3.296 -3.117 1.00 0.00 H -ATOM 27 HB2 LEU A 2 -3.690 5.392 -3.639 1.00 0.00 H -ATOM 28 HB3 LEU A 2 -3.065 3.769 -3.800 1.00 0.00 H -ATOM 29 HG LEU A 2 -5.698 4.515 -5.115 1.00 0.00 H -ATOM 30 HD11 LEU A 2 -4.204 6.242 -5.892 1.00 0.00 H -ATOM 31 HD12 LEU A 2 -2.915 5.058 -6.224 1.00 0.00 H -ATOM 32 HD13 LEU A 2 -4.414 5.054 -7.182 1.00 0.00 H -ATOM 33 HD21 LEU A 2 -3.478 2.549 -5.839 1.00 0.00 H -ATOM 34 HD22 LEU A 2 -4.998 2.131 -5.020 1.00 0.00 H -ATOM 35 HD23 LEU A 2 -5.031 2.745 -6.681 1.00 0.00 H -ATOM 36 N TYR A 3 -4.360 3.359 -0.340 1.00 0.00 N -ATOM 37 CA TYR A 3 -3.724 2.648 0.772 1.00 0.00 C -ATOM 38 C TYR A 3 -4.137 1.169 0.856 1.00 0.00 C -ATOM 39 O TYR A 3 -3.317 0.329 1.227 1.00 0.00 O -ATOM 40 CB TYR A 3 -4.029 3.379 2.090 1.00 0.00 C -ATOM 41 CG TYR A 3 -2.887 3.312 3.082 1.00 0.00 C -ATOM 42 CD1 TYR A 3 -1.861 4.274 3.013 1.00 0.00 C -ATOM 43 CD2 TYR A 3 -2.830 2.295 4.054 1.00 0.00 C -ATOM 44 CE1 TYR A 3 -0.765 4.215 3.892 1.00 0.00 C -ATOM 45 CE2 TYR A 3 -1.745 2.242 4.951 1.00 0.00 C -ATOM 46 CZ TYR A 3 -0.706 3.197 4.866 1.00 0.00 C -ATOM 47 OH TYR A 3 0.351 3.124 5.717 1.00 0.00 O -ATOM 48 H TYR A 3 -4.937 4.156 -0.129 1.00 0.00 H -ATOM 49 HA TYR A 3 -2.646 2.676 0.609 1.00 0.00 H -ATOM 50 HB2 TYR A 3 -4.231 4.410 1.870 1.00 0.00 H -ATOM 51 HB3 TYR A 3 -4.934 2.967 2.541 1.00 0.00 H -ATOM 52 HD1 TYR A 3 -1.912 5.069 2.285 1.00 0.00 H -ATOM 53 HD2 TYR A 3 -3.617 1.558 4.111 1.00 0.00 H -ATOM 54 HE1 TYR A 3 0.013 4.960 3.818 1.00 0.00 H -ATOM 55 HE2 TYR A 3 -1.685 1.473 5.706 1.00 0.00 H -ATOM 56 HH TYR A 3 1.074 3.686 5.430 1.00 0.00 H -ATOM 57 N ILE A 4 -5.379 0.841 0.456 1.00 0.00 N -ATOM 58 CA ILE A 4 -5.867 -0.543 0.382 1.00 0.00 C -ATOM 59 C ILE A 4 -4.972 -1.370 -0.545 1.00 0.00 C -ATOM 60 O ILE A 4 -4.513 -2.431 -0.139 1.00 0.00 O -ATOM 61 CB ILE A 4 -7.351 -0.631 -0.056 1.00 0.00 C -ATOM 62 CG1 ILE A 4 -8.267 0.276 0.803 1.00 0.00 C -ATOM 63 CG2 ILE A 4 -7.848 -2.085 0.043 1.00 0.00 C -ATOM 64 CD1 ILE A 4 -8.626 1.595 0.106 1.00 0.00 C -ATOM 65 H ILE A 4 -5.992 1.589 0.165 1.00 0.00 H -ATOM 66 HA ILE A 4 -5.785 -0.978 1.379 1.00 0.00 H -ATOM 67 HB ILE A 4 -7.431 -0.341 -1.106 1.00 0.00 H -ATOM 68 HG12 ILE A 4 -9.174 -0.257 1.016 1.00 0.00 H -ATOM 69 HG13 ILE A 4 -7.782 0.492 1.756 1.00 0.00 H -ATOM 70 HG21 ILE A 4 -7.271 -2.734 -0.616 1.00 0.00 H -ATOM 71 HG22 ILE A 4 -7.761 -2.445 1.069 1.00 0.00 H -ATOM 72 HG23 ILE A 4 -8.892 -2.140 -0.270 1.00 0.00 H -ATOM 73 HD11 ILE A 4 -7.974 1.772 -0.749 1.00 0.00 H -ATOM 74 HD12 ILE A 4 -9.658 1.551 -0.248 1.00 0.00 H -ATOM 75 HD13 ILE A 4 -8.528 2.422 0.809 1.00 0.00 H -ATOM 76 N GLN A 5 -4.692 -0.874 -1.757 1.00 0.00 N -ATOM 77 CA GLN A 5 -3.867 -1.563 -2.751 1.00 0.00 C -ATOM 78 C GLN A 5 -2.445 -1.809 -2.222 1.00 0.00 C -ATOM 79 O GLN A 5 -1.929 -2.921 -2.330 1.00 0.00 O -ATOM 80 CB GLN A 5 -3.847 -0.743 -4.058 1.00 0.00 C -ATOM 81 CG GLN A 5 -3.727 -1.623 -5.311 1.00 0.00 C -ATOM 82 CD GLN A 5 -5.084 -2.186 -5.734 1.00 0.00 C -ATOM 83 OE1 GLN A 5 -5.698 -2.984 -5.042 1.00 0.00 O -ATOM 84 NE2 GLN A 5 -5.615 -1.776 -6.871 1.00 0.00 N -ATOM 85 H GLN A 5 -5.036 0.048 -1.986 1.00 0.00 H -ATOM 86 HA GLN A 5 -4.323 -2.535 -2.945 1.00 0.00 H -ATOM 87 HB2 GLN A 5 -4.757 -0.178 -4.122 1.00 0.00 H -ATOM 88 HB3 GLN A 5 -3.011 -0.043 -4.034 1.00 0.00 H -ATOM 89 HG2 GLN A 5 -3.329 -1.033 -6.114 1.00 0.00 H -ATOM 90 HG3 GLN A 5 -3.035 -2.447 -5.128 1.00 0.00 H -ATOM 91 HE21 GLN A 5 -5.153 -1.128 -7.485 1.00 0.00 H -ATOM 92 HE22 GLN A 5 -6.510 -2.185 -7.079 1.00 0.00 H -ATOM 93 N TRP A 6 -1.839 -0.788 -1.599 1.00 0.00 N -ATOM 94 CA TRP A 6 -0.525 -0.892 -0.956 1.00 0.00 C -ATOM 95 C TRP A 6 -0.505 -1.946 0.161 1.00 0.00 C -ATOM 96 O TRP A 6 0.383 -2.798 0.180 1.00 0.00 O -ATOM 97 CB TRP A 6 -0.095 0.486 -0.442 1.00 0.00 C -ATOM 98 CG TRP A 6 1.244 0.517 0.231 1.00 0.00 C -ATOM 99 CD1 TRP A 6 2.442 0.440 -0.391 1.00 0.00 C -ATOM 100 CD2 TRP A 6 1.543 0.573 1.661 1.00 0.00 C -ATOM 101 NE1 TRP A 6 3.455 0.482 0.546 1.00 0.00 N -ATOM 102 CE2 TRP A 6 2.959 0.563 1.826 1.00 0.00 C -ATOM 103 CE3 TRP A 6 0.765 0.602 2.836 1.00 0.00 C -ATOM 104 CZ2 TRP A 6 3.578 0.610 3.082 1.00 0.00 C -ATOM 105 CZ3 TRP A 6 1.375 0.609 4.105 1.00 0.00 C -ATOM 106 CH2 TRP A 6 2.774 0.632 4.232 1.00 0.00 C -ATOM 107 H TRP A 6 -2.350 0.086 -1.539 1.00 0.00 H -ATOM 108 HA TRP A 6 0.198 -1.218 -1.705 1.00 0.00 H -ATOM 109 HB2 TRP A 6 -0.064 1.159 -1.277 1.00 0.00 H -ATOM 110 HB3 TRP A 6 -0.841 0.856 0.262 1.00 0.00 H -ATOM 111 HD1 TRP A 6 2.583 0.342 -1.457 1.00 0.00 H -ATOM 112 HE1 TRP A 6 4.453 0.438 0.329 1.00 0.00 H -ATOM 113 HE3 TRP A 6 -0.312 0.606 2.755 1.00 0.00 H -ATOM 114 HZ2 TRP A 6 4.655 0.607 3.156 1.00 0.00 H -ATOM 115 HZ3 TRP A 6 0.762 0.609 4.996 1.00 0.00 H -ATOM 116 HH2 TRP A 6 3.223 0.656 5.215 1.00 0.00 H -ATOM 117 N LEU A 7 -1.495 -1.933 1.067 1.00 0.00 N -ATOM 118 CA LEU A 7 -1.631 -2.979 2.085 1.00 0.00 C -ATOM 119 C LEU A 7 -1.880 -4.365 1.470 1.00 0.00 C -ATOM 120 O LEU A 7 -1.286 -5.334 1.938 1.00 0.00 O -ATOM 121 CB LEU A 7 -2.736 -2.618 3.092 1.00 0.00 C -ATOM 122 CG LEU A 7 -2.373 -1.484 4.072 1.00 0.00 C -ATOM 123 CD1 LEU A 7 -3.572 -1.205 4.981 1.00 0.00 C -ATOM 124 CD2 LEU A 7 -1.173 -1.831 4.963 1.00 0.00 C -ATOM 125 H LEU A 7 -2.195 -1.196 1.019 1.00 0.00 H -ATOM 126 HA LEU A 7 -0.684 -3.061 2.616 1.00 0.00 H -ATOM 127 HB2 LEU A 7 -3.605 -2.317 2.540 1.00 0.00 H -ATOM 128 HB3 LEU A 7 -2.968 -3.507 3.680 1.00 0.00 H -ATOM 129 HG LEU A 7 -2.145 -0.578 3.513 1.00 0.00 H -ATOM 130 HD11 LEU A 7 -4.432 -0.914 4.377 1.00 0.00 H -ATOM 131 HD12 LEU A 7 -3.821 -2.097 5.558 1.00 0.00 H -ATOM 132 HD13 LEU A 7 -3.338 -0.395 5.671 1.00 0.00 H -ATOM 133 HD21 LEU A 7 -1.337 -2.790 5.456 1.00 0.00 H -ATOM 134 HD22 LEU A 7 -0.263 -1.882 4.367 1.00 0.00 H -ATOM 135 HD23 LEU A 7 -1.035 -1.059 5.719 1.00 0.00 H -ATOM 136 N LYS A 8 -2.706 -4.471 0.416 1.00 0.00 N -ATOM 137 CA LYS A 8 -3.040 -5.736 -0.258 1.00 0.00 C -ATOM 138 C LYS A 8 -1.805 -6.466 -0.789 1.00 0.00 C -ATOM 139 O LYS A 8 -1.742 -7.687 -0.688 1.00 0.00 O -ATOM 140 CB LYS A 8 -4.034 -5.485 -1.410 1.00 0.00 C -ATOM 141 CG LYS A 8 -4.931 -6.689 -1.757 1.00 0.00 C -ATOM 142 CD LYS A 8 -6.238 -6.726 -0.944 1.00 0.00 C -ATOM 143 CE LYS A 8 -6.111 -7.395 0.434 1.00 0.00 C -ATOM 144 NZ LYS A 8 -6.596 -8.795 0.413 1.00 0.00 N -ATOM 145 H LYS A 8 -3.180 -3.623 0.110 1.00 0.00 H -ATOM 146 HA LYS A 8 -3.483 -6.388 0.485 1.00 0.00 H -ATOM 147 HB2 LYS A 8 -4.667 -4.665 -1.133 1.00 0.00 H -ATOM 148 HB3 LYS A 8 -3.469 -5.209 -2.302 1.00 0.00 H -ATOM 149 HG2 LYS A 8 -5.179 -6.640 -2.800 1.00 0.00 H -ATOM 150 HG3 LYS A 8 -4.383 -7.626 -1.648 1.00 0.00 H -ATOM 151 HD2 LYS A 8 -6.571 -5.716 -0.797 1.00 0.00 H -ATOM 152 HD3 LYS A 8 -6.998 -7.246 -1.531 1.00 0.00 H -ATOM 153 HE2 LYS A 8 -5.079 -7.389 0.729 1.00 0.00 H -ATOM 154 HE3 LYS A 8 -6.699 -6.816 1.151 1.00 0.00 H -ATOM 155 HZ1 LYS A 8 -7.551 -8.825 0.081 1.00 0.00 H -ATOM 156 HZ2 LYS A 8 -6.018 -9.355 -0.202 1.00 0.00 H -ATOM 157 HZ3 LYS A 8 -6.565 -9.193 1.343 1.00 0.00 H -ATOM 158 N ASP A 9 -0.838 -5.715 -1.323 1.00 0.00 N -ATOM 159 CA ASP A 9 0.450 -6.224 -1.807 1.00 0.00 C -ATOM 160 C ASP A 9 1.375 -6.712 -0.666 1.00 0.00 C -ATOM 161 O ASP A 9 2.268 -7.521 -0.902 1.00 0.00 O -ATOM 162 CB ASP A 9 1.122 -5.114 -2.638 1.00 0.00 C -ATOM 163 CG ASP A 9 1.749 -5.645 -3.931 1.00 0.00 C -ATOM 164 OD1 ASP A 9 2.908 -6.107 -3.879 1.00 0.00 O -ATOM 165 OD2 ASP A 9 1.053 -5.563 -4.967 1.00 0.00 O -ATOM 166 H ASP A 9 -1.027 -4.724 -1.433 1.00 0.00 H -ATOM 167 HA ASP A 9 0.258 -7.078 -2.459 1.00 0.00 H -ATOM 168 HB2 ASP A 9 0.383 -4.379 -2.891 1.00 0.00 H -ATOM 169 HB3 ASP A 9 1.874 -4.603 -2.038 1.00 0.00 H -ATOM 170 N GLY A 10 1.131 -6.267 0.578 1.00 0.00 N -ATOM 171 CA GLY A 10 1.947 -6.573 1.759 1.00 0.00 C -ATOM 172 C GLY A 10 2.471 -5.343 2.517 1.00 0.00 C -ATOM 173 O GLY A 10 3.312 -5.492 3.405 1.00 0.00 O -ATOM 174 H GLY A 10 0.292 -5.717 0.714 1.00 0.00 H -ATOM 175 HA2 GLY A 10 1.343 -7.159 2.453 1.00 0.00 H -ATOM 176 HA3 GLY A 10 2.809 -7.177 1.472 1.00 0.00 H -ATOM 177 N GLY A 11 2.017 -4.128 2.178 1.00 0.00 N -ATOM 178 CA GLY A 11 2.486 -2.885 2.787 1.00 0.00 C -ATOM 179 C GLY A 11 4.008 -2.719 2.637 1.00 0.00 C -ATOM 180 O GLY A 11 4.503 -2.800 1.506 1.00 0.00 O -ATOM 181 H GLY A 11 1.396 -4.039 1.378 1.00 0.00 H -ATOM 182 HA2 GLY A 11 2.001 -2.048 2.288 1.00 0.00 H -ATOM 183 HA3 GLY A 11 2.186 -2.879 3.832 1.00 0.00 H -ATOM 184 N PRO A 12 4.780 -2.519 3.728 1.00 0.00 N -ATOM 185 CA PRO A 12 6.239 -2.387 3.665 1.00 0.00 C -ATOM 186 C PRO A 12 6.950 -3.575 3.000 1.00 0.00 C -ATOM 187 O PRO A 12 7.979 -3.391 2.354 1.00 0.00 O -ATOM 188 CB PRO A 12 6.713 -2.228 5.117 1.00 0.00 C -ATOM 189 CG PRO A 12 5.470 -1.751 5.866 1.00 0.00 C -ATOM 190 CD PRO A 12 4.331 -2.431 5.110 1.00 0.00 C -ATOM 191 HA PRO A 12 6.480 -1.479 3.109 1.00 0.00 H -ATOM 192 HB2 PRO A 12 7.058 -3.165 5.510 1.00 0.00 H -ATOM 193 HB3 PRO A 12 7.527 -1.506 5.194 1.00 0.00 H -ATOM 194 HG2 PRO A 12 5.494 -2.065 6.892 1.00 0.00 H -ATOM 195 HG3 PRO A 12 5.378 -0.669 5.771 1.00 0.00 H -ATOM 196 HD2 PRO A 12 4.149 -3.411 5.508 1.00 0.00 H -ATOM 197 HD3 PRO A 12 3.421 -1.842 5.212 1.00 0.00 H -ATOM 198 N SER A 13 6.391 -4.788 3.108 1.00 0.00 N -ATOM 199 CA SER A 13 6.963 -6.030 2.565 1.00 0.00 C -ATOM 200 C SER A 13 6.817 -6.172 1.040 1.00 0.00 C -ATOM 201 O SER A 13 7.075 -7.245 0.502 1.00 0.00 O -ATOM 202 CB SER A 13 6.348 -7.235 3.292 1.00 0.00 C -ATOM 203 OG SER A 13 6.588 -7.135 4.685 1.00 0.00 O -ATOM 204 H SER A 13 5.511 -4.881 3.605 1.00 0.00 H -ATOM 205 HA SER A 13 8.033 -6.031 2.772 1.00 0.00 H -ATOM 206 HB2 SER A 13 5.290 -7.255 3.114 1.00 0.00 H -ATOM 207 HB3 SER A 13 6.798 -8.157 2.922 1.00 0.00 H -ATOM 208 HG SER A 13 7.535 -7.126 4.838 1.00 0.00 H -ATOM 209 N SER A 14 6.433 -5.095 0.342 1.00 0.00 N -ATOM 210 CA SER A 14 6.094 -5.070 -1.091 1.00 0.00 C -ATOM 211 C SER A 14 7.131 -4.326 -1.948 1.00 0.00 C -ATOM 212 O SER A 14 6.912 -4.123 -3.139 1.00 0.00 O -ATOM 213 CB SER A 14 4.713 -4.430 -1.320 1.00 0.00 C -ATOM 214 OG SER A 14 3.852 -4.557 -0.209 1.00 0.00 O -ATOM 215 H SER A 14 6.248 -4.262 0.883 1.00 0.00 H -ATOM 216 HA SER A 14 6.036 -6.095 -1.458 1.00 0.00 H -ATOM 217 HB2 SER A 14 4.851 -3.386 -1.528 1.00 0.00 H -ATOM 218 HB3 SER A 14 4.256 -4.900 -2.188 1.00 0.00 H -ATOM 219 HG SER A 14 4.090 -3.859 0.448 1.00 0.00 H -ATOM 220 N GLY A 15 8.234 -3.851 -1.350 1.00 0.00 N -ATOM 221 CA GLY A 15 9.242 -3.043 -2.046 1.00 0.00 C -ATOM 222 C GLY A 15 8.765 -1.634 -2.430 1.00 0.00 C -ATOM 223 O GLY A 15 9.339 -1.029 -3.333 1.00 0.00 O -ATOM 224 H GLY A 15 8.368 -4.078 -0.374 1.00 0.00 H -ATOM 225 HA2 GLY A 15 10.125 -2.943 -1.415 1.00 0.00 H -ATOM 226 HA3 GLY A 15 9.540 -3.557 -2.962 1.00 0.00 H -ATOM 227 N ARG A 16 7.712 -1.116 -1.776 1.00 0.00 N -ATOM 228 CA ARG A 16 7.012 0.119 -2.159 1.00 0.00 C -ATOM 229 C ARG A 16 6.744 1.004 -0.927 1.00 0.00 C -ATOM 230 O ARG A 16 6.192 0.494 0.050 1.00 0.00 O -ATOM 231 CB ARG A 16 5.715 -0.274 -2.903 1.00 0.00 C -ATOM 232 CG ARG A 16 5.325 0.703 -4.024 1.00 0.00 C -ATOM 233 CD ARG A 16 4.678 2.015 -3.540 1.00 0.00 C -ATOM 234 NE ARG A 16 3.237 2.087 -3.842 1.00 0.00 N -ATOM 235 CZ ARG A 16 2.680 2.273 -5.035 1.00 0.00 C -ATOM 236 NH1 ARG A 16 3.403 2.443 -6.118 1.00 0.00 N -ATOM 237 NH2 ARG A 16 1.375 2.289 -5.163 1.00 0.00 N -ATOM 238 H ARG A 16 7.321 -1.668 -1.025 1.00 0.00 H -ATOM 239 HA ARG A 16 7.663 0.650 -2.853 1.00 0.00 H -ATOM 240 HB2 ARG A 16 5.853 -1.247 -3.334 1.00 0.00 H -ATOM 241 HB3 ARG A 16 4.890 -0.391 -2.200 1.00 0.00 H -ATOM 242 HG2 ARG A 16 6.212 0.951 -4.574 1.00 0.00 H -ATOM 243 HG3 ARG A 16 4.637 0.186 -4.695 1.00 0.00 H -ATOM 244 HD2 ARG A 16 4.810 2.091 -2.478 1.00 0.00 H -ATOM 245 HD3 ARG A 16 5.186 2.860 -4.006 1.00 0.00 H -ATOM 246 HE ARG A 16 2.615 2.042 -3.054 1.00 0.00 H -ATOM 247 HH11 ARG A 16 4.402 2.431 -6.023 1.00 0.00 H -ATOM 248 HH12 ARG A 16 2.980 2.582 -7.018 1.00 0.00 H -ATOM 249 HH21 ARG A 16 0.783 2.132 -4.366 1.00 0.00 H -ATOM 250 HH22 ARG A 16 0.966 2.417 -6.070 1.00 0.00 H -ATOM 251 N PRO A 17 7.089 2.310 -0.946 1.00 0.00 N -ATOM 252 CA PRO A 17 6.885 3.210 0.196 1.00 0.00 C -ATOM 253 C PRO A 17 5.393 3.477 0.503 1.00 0.00 C -ATOM 254 O PRO A 17 4.546 3.303 -0.377 1.00 0.00 O -ATOM 255 CB PRO A 17 7.623 4.504 -0.182 1.00 0.00 C -ATOM 256 CG PRO A 17 7.588 4.505 -1.707 1.00 0.00 C -ATOM 257 CD PRO A 17 7.737 3.023 -2.038 1.00 0.00 C -ATOM 258 HA PRO A 17 7.356 2.774 1.077 1.00 0.00 H -ATOM 259 HB2 PRO A 17 7.117 5.363 0.213 1.00 0.00 H -ATOM 260 HB3 PRO A 17 8.658 4.442 0.155 1.00 0.00 H -ATOM 261 HG2 PRO A 17 6.657 4.893 -2.074 1.00 0.00 H -ATOM 262 HG3 PRO A 17 8.394 5.099 -2.134 1.00 0.00 H -ATOM 263 HD2 PRO A 17 7.256 2.797 -2.970 1.00 0.00 H -ATOM 264 HD3 PRO A 17 8.794 2.757 -2.066 1.00 0.00 H -ATOM 265 N PRO A 18 5.059 3.929 1.730 1.00 0.00 N -ATOM 266 CA PRO A 18 3.682 4.205 2.144 1.00 0.00 C -ATOM 267 C PRO A 18 3.095 5.411 1.383 1.00 0.00 C -ATOM 268 O PRO A 18 3.661 6.502 1.452 1.00 0.00 O -ATOM 269 CB PRO A 18 3.748 4.459 3.655 1.00 0.00 C -ATOM 270 CG PRO A 18 5.175 4.956 3.878 1.00 0.00 C -ATOM 271 CD PRO A 18 5.977 4.185 2.832 1.00 0.00 C -ATOM 272 HA PRO A 18 3.080 3.317 1.975 1.00 0.00 H -ATOM 273 HB2 PRO A 18 3.033 5.203 3.949 1.00 0.00 H -ATOM 274 HB3 PRO A 18 3.609 3.517 4.186 1.00 0.00 H -ATOM 275 HG2 PRO A 18 5.245 6.014 3.714 1.00 0.00 H -ATOM 276 HG3 PRO A 18 5.524 4.748 4.890 1.00 0.00 H -ATOM 277 HD2 PRO A 18 6.810 4.771 2.495 1.00 0.00 H -ATOM 278 HD3 PRO A 18 6.310 3.236 3.253 1.00 0.00 H -ATOM 279 N PRO A 19 1.966 5.253 0.661 1.00 0.00 N -ATOM 280 CA PRO A 19 1.331 6.356 -0.052 1.00 0.00 C -ATOM 281 C PRO A 19 0.578 7.268 0.928 1.00 0.00 C -ATOM 282 O PRO A 19 -0.202 6.793 1.754 1.00 0.00 O -ATOM 283 CB PRO A 19 0.397 5.681 -1.061 1.00 0.00 C -ATOM 284 CG PRO A 19 -0.022 4.391 -0.357 1.00 0.00 C -ATOM 285 CD PRO A 19 1.197 4.027 0.492 1.00 0.00 C -ATOM 286 HA PRO A 19 2.080 6.941 -0.589 1.00 0.00 H -ATOM 287 HB2 PRO A 19 -0.455 6.299 -1.267 1.00 0.00 H -ATOM 288 HB3 PRO A 19 0.960 5.433 -1.961 1.00 0.00 H -ATOM 289 HG2 PRO A 19 -0.883 4.555 0.261 1.00 0.00 H -ATOM 290 HG3 PRO A 19 -0.265 3.606 -1.072 1.00 0.00 H -ATOM 291 HD2 PRO A 19 0.884 3.651 1.447 1.00 0.00 H -ATOM 292 HD3 PRO A 19 1.805 3.288 -0.030 1.00 0.00 H -ATOM 293 N SER A 20 0.794 8.581 0.820 1.00 0.00 N -ATOM 294 CA SER A 20 0.068 9.633 1.546 1.00 0.00 C -ATOM 295 C SER A 20 -0.019 10.895 0.692 1.00 0.00 C -ATOM 296 O SER A 20 0.894 11.061 -0.156 1.00 0.00 O -ATOM 297 CB SER A 20 0.690 9.909 2.920 1.00 0.00 C -ATOM 298 OG SER A 20 2.087 10.037 2.813 1.00 0.00 O -ATOM 299 OXT SER A 20 -1.022 11.612 0.858 1.00 0.00 O -ATOM 300 H SER A 20 1.377 8.948 0.073 1.00 0.00 H -ATOM 301 HA SER A 20 -0.962 9.316 1.705 1.00 0.00 H -ATOM 302 HB2 SER A 20 0.282 10.819 3.316 1.00 0.00 H -ATOM 303 HB3 SER A 20 0.461 9.076 3.584 1.00 0.00 H -ATOM 304 HG SER A 20 2.347 9.513 2.048 1.00 0.00 H -TER 305 SER A 20 -ENDMDL -MASTER 136 0 0 2 0 0 0 6 154 1 0 2 -END diff --git a/sandbox/Tests.ipynb b/sandbox/Tests.ipynb index 03ef38749..721e55884 100644 --- a/sandbox/Tests.ipynb +++ b/sandbox/Tests.ipynb @@ -28,7 +28,7 @@ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "52e1025b948741e5be432764edf7c126", + "model_id": "0811f066e5394efeb5ee09e8c0319569", "version_major": 2, "version_minor": 0 }, @@ -53,192 +53,10 @@ "import numpy as np" ] }, - { - "cell_type": "code", - "execution_count": 4, - "id": "6a3ac47f-9953-48b8-8ab4-3610761455a0", - "metadata": {}, - "outputs": [], - "source": [ - "item = msm.convert('pdb_id:1l2y', to_form='mmtf.MMTFDecoder')" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "4c1c18ff-c441-4dba-bb81-64e848df8f4d", - "metadata": {}, - "outputs": [ - { - "ename": "NameError", - "evalue": "name 'get_bonded_atom_pairs' is not defined", - "output_type": "error", - "traceback": [ - "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", - "\u001b[0;31mNameError\u001b[0m Traceback (most recent call last)", - "Cell \u001b[0;32mIn[5], line 1\u001b[0m\n\u001b[0;32m----> 1\u001b[0m molsys \u001b[38;5;241m=\u001b[39m \u001b[43mmsm\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mconvert\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[38;5;124;43mpdb_id:1l2y\u001b[39;49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[43m)\u001b[49m\n", - "File \u001b[0;32m~/repos@uibcdf/MolSysMT/molsysmt/_private/digestion/digest.py:122\u001b[0m, in \u001b[0;36mdigest..digestor..wrapper\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m 120\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m func(all_args[\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mself\u001b[39m\u001b[38;5;124m'\u001b[39m], \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mfinal_args)\n\u001b[1;32m 121\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m--> 122\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mfinal_args\u001b[49m\u001b[43m)\u001b[49m\n", - "File \u001b[0;32m~/repos@uibcdf/MolSysMT/molsysmt/basic/convert.py:530\u001b[0m, in \u001b[0;36mconvert\u001b[0;34m(molecular_system, to_form, selection, structure_indices, syntax, verbose, skip_digestion, **kwargs)\u001b[0m\n\u001b[1;32m 528\u001b[0m \u001b[38;5;66;03m# If one to one\u001b[39;00m\n\u001b[1;32m 529\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;28misinstance\u001b[39m(from_form, (\u001b[38;5;28mlist\u001b[39m, \u001b[38;5;28mtuple\u001b[39m)):\n\u001b[0;32m--> 530\u001b[0m output \u001b[38;5;241m=\u001b[39m \u001b[43m_convert_one_to_one\u001b[49m\u001b[43m(\u001b[49m\u001b[43mmolecular_system\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mfrom_form\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mto_form\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mto_form\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mselection\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mselection\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mstructure_indices\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mstructure_indices\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 531\u001b[0m \u001b[43m \u001b[49m\u001b[43msyntax\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43msyntax\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mverbose\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mverbose\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mskip_digestion\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mTrue\u001b[39;49;00m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 533\u001b[0m \u001b[38;5;66;03m# If multiple to one\u001b[39;00m\n\u001b[1;32m 534\u001b[0m \n\u001b[1;32m 535\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[1;32m 536\u001b[0m \n\u001b[1;32m 537\u001b[0m \u001b[38;5;66;03m# conversions in private shortcuts\u001b[39;00m\n\u001b[1;32m 538\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mtuple\u001b[39m(\u001b[38;5;28msorted\u001b[39m(from_form)) \u001b[38;5;129;01min\u001b[39;00m _multiple_conversion_shortcuts:\n", - "File \u001b[0;32m~/repos@uibcdf/MolSysMT/molsysmt/basic/convert.py:87\u001b[0m, in \u001b[0;36m_convert_one_to_one\u001b[0;34m(molecular_system, from_form, to_form, selection, structure_indices, syntax, verbose, **kwargs)\u001b[0m\n\u001b[1;32m 84\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mlen\u001b[39m(missing_arguments)\u001b[38;5;241m>\u001b[39m\u001b[38;5;241m0\u001b[39m:\n\u001b[1;32m 85\u001b[0m \u001b[38;5;28;01mraise\u001b[39;00m NotCompatibleConversionError(from_form, to_form, missing_arguments)\n\u001b[0;32m---> 87\u001b[0m output \u001b[38;5;241m=\u001b[39m \u001b[43mfunction\u001b[49m\u001b[43m(\u001b[49m\u001b[43mmolecular_system\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mconversion_arguments\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 89\u001b[0m \u001b[38;5;28;01melif\u001b[39;00m (\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mmolsysmt.MolSys\u001b[39m\u001b[38;5;124m'\u001b[39m \u001b[38;5;129;01min\u001b[39;00m _dict_modules[from_form]\u001b[38;5;241m.\u001b[39m_convert_to) \u001b[38;5;129;01mand\u001b[39;00m (to_form \u001b[38;5;129;01min\u001b[39;00m _dict_modules[\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mmolsysmt.MolSys\u001b[39m\u001b[38;5;124m'\u001b[39m]\u001b[38;5;241m.\u001b[39m_convert_to):\n\u001b[1;32m 91\u001b[0m output \u001b[38;5;241m=\u001b[39m _convert_one_to_one(molecular_system, from_form, to_form\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mmolsysmt.MolSys\u001b[39m\u001b[38;5;124m'\u001b[39m, selection\u001b[38;5;241m=\u001b[39mselection,\n\u001b[1;32m 92\u001b[0m structure_indices\u001b[38;5;241m=\u001b[39mstructure_indices, syntax\u001b[38;5;241m=\u001b[39msyntax, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs)\n", - "File \u001b[0;32m~/repos@uibcdf/MolSysMT/molsysmt/_private/digestion/digest.py:52\u001b[0m, in \u001b[0;36mdigest..digestor..wrapper\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m 48\u001b[0m \u001b[38;5;129m@functools\u001b[39m\u001b[38;5;241m.\u001b[39mwraps(func)\n\u001b[1;32m 49\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mwrapper\u001b[39m(\u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs):\n\u001b[1;32m 51\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m kwargs\u001b[38;5;241m.\u001b[39mget(\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mskip_digestion\u001b[39m\u001b[38;5;124m'\u001b[39m, \u001b[38;5;28;01mFalse\u001b[39;00m):\n\u001b[0;32m---> 52\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 54\u001b[0m \u001b[38;5;66;03m# Define caller\u001b[39;00m\n\u001b[1;32m 56\u001b[0m caller \u001b[38;5;241m=\u001b[39m func\u001b[38;5;241m.\u001b[39m\u001b[38;5;18m__module__\u001b[39m\u001b[38;5;241m+\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124m.\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;241m+\u001b[39mfunc\u001b[38;5;241m.\u001b[39m\u001b[38;5;18m__name__\u001b[39m\n", - "File \u001b[0;32m~/repos@uibcdf/MolSysMT/molsysmt/form/string_pdb_id/to_molsysmt_MolSys.py:10\u001b[0m, in \u001b[0;36mto_molsysmt_MolSys\u001b[0;34m(item, atom_indices, structure_indices, skip_digestion)\u001b[0m\n\u001b[1;32m 7\u001b[0m \u001b[38;5;28;01mfrom\u001b[39;00m \u001b[38;5;21;01m.\u001b[39;00m\u001b[38;5;21;01m.\u001b[39;00m\u001b[38;5;21;01mmmtf_MMTFDecoder\u001b[39;00m \u001b[38;5;28;01mimport\u001b[39;00m to_molsysmt_MolSys \u001b[38;5;28;01mas\u001b[39;00m mmtf_MMTFDecoder_to_molsysmt_MolSys\n\u001b[1;32m 9\u001b[0m tmp_item \u001b[38;5;241m=\u001b[39m to_mmtf_MMTFDecoder(item, skip_digestion\u001b[38;5;241m=\u001b[39m\u001b[38;5;28;01mTrue\u001b[39;00m)\n\u001b[0;32m---> 10\u001b[0m tmp_item \u001b[38;5;241m=\u001b[39m \u001b[43mmmtf_MMTFDecoder_to_molsysmt_MolSys\u001b[49m\u001b[43m(\u001b[49m\u001b[43mtmp_item\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43matom_indices\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43matom_indices\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 11\u001b[0m \u001b[43m \u001b[49m\u001b[43mstructure_indices\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mstructure_indices\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mskip_digestion\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mTrue\u001b[39;49;00m\u001b[43m)\u001b[49m\n\u001b[1;32m 12\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m tmp_item\n", - "File \u001b[0;32m~/repos@uibcdf/MolSysMT/molsysmt/_private/digestion/digest.py:52\u001b[0m, in \u001b[0;36mdigest..digestor..wrapper\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m 48\u001b[0m \u001b[38;5;129m@functools\u001b[39m\u001b[38;5;241m.\u001b[39mwraps(func)\n\u001b[1;32m 49\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mwrapper\u001b[39m(\u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs):\n\u001b[1;32m 51\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m kwargs\u001b[38;5;241m.\u001b[39mget(\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mskip_digestion\u001b[39m\u001b[38;5;124m'\u001b[39m, \u001b[38;5;28;01mFalse\u001b[39;00m):\n\u001b[0;32m---> 52\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 54\u001b[0m \u001b[38;5;66;03m# Define caller\u001b[39;00m\n\u001b[1;32m 56\u001b[0m caller \u001b[38;5;241m=\u001b[39m func\u001b[38;5;241m.\u001b[39m\u001b[38;5;18m__module__\u001b[39m\u001b[38;5;241m+\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124m.\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;241m+\u001b[39mfunc\u001b[38;5;241m.\u001b[39m\u001b[38;5;18m__name__\u001b[39m\n", - "File \u001b[0;32m~/repos@uibcdf/MolSysMT/molsysmt/form/mmtf_MMTFDecoder/to_molsysmt_MolSys.py:61\u001b[0m, in \u001b[0;36mto_molsysmt_MolSys\u001b[0;34m(item, atom_indices, structure_indices, skip_digestion)\u001b[0m\n\u001b[1;32m 57\u001b[0m bond_index\u001b[38;5;241m+\u001b[39m\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m1\u001b[39m\n\u001b[1;32m 59\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m---> 61\u001b[0m aux_bonds \u001b[38;5;241m=\u001b[39m \u001b[43mget_bonded_atom_pairs\u001b[49m(mmtf_group[\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mgroupName\u001b[39m\u001b[38;5;124m'\u001b[39m], mmtf_group[\u001b[38;5;124m'\u001b[39m\u001b[38;5;124matomNameList\u001b[39m\u001b[38;5;124m'\u001b[39m])\n\u001b[1;32m 63\u001b[0m \u001b[38;5;28mprint\u001b[39m(aux_bonds)\n\u001b[1;32m 64\u001b[0m \u001b[38;5;28mprint\u001b[39m(\u001b[38;5;124m'\u001b[39m\u001b[38;5;124merror\u001b[39m\u001b[38;5;124m'\u001b[39m, mmtf_group[\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mgroupName\u001b[39m\u001b[38;5;124m'\u001b[39m])\n", - "\u001b[0;31mNameError\u001b[0m: name 'get_bonded_atom_pairs' is not defined" - ] - } - ], - "source": [ - "molsys = msm.convert('pdb_id:1l2y')" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "3b2d88ae-1213-4ed4-b18e-ee614efd72e9", - "metadata": {}, - "outputs": [], - "source": [ - "molsys.topology.bonds" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "8ebcf6d8-2623-487f-b158-01a6122e9103", - "metadata": {}, - "outputs": [], - "source": [ - "38*20" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "4f7ec4e4-8d3f-4371-a633-5b3e1e21a56d", - "metadata": {}, - "outputs": [], - "source": [ - "molsys.topology.groups[:30]" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "031d1ebc-3c34-44ea-a6f2-524e8971ec30", - "metadata": {}, - "outputs": [], - "source": [ - "coordinates = np.column_stack([item.x_coord_list, item.y_coord_list, item.z_coord_list])" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "30beb7bd-36fd-49b6-b281-5a69e45de3a4", - "metadata": {}, - "outputs": [], - "source": [ - "coordinates = coordinates.reshape([-1, item.num_atoms, 3])" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "ee708c55-6981-4fa8-8623-7bf2938eae49", - "metadata": {}, - "outputs": [], - "source": [ - "coordinates.shape" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "04b29755-d938-4739-9435-c865a65ea76a", - "metadata": {}, - "outputs": [], - "source": [ - "item.num_atoms" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "5ffd8058-86d0-4f42-9fb3-c5781a41da9d", - "metadata": {}, - "outputs": [], - "source": [ - "item.num_models*304" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "227c1978-1155-4f8d-bf4e-2e2c2fd06bbb", - "metadata": {}, - "outputs": [], - "source": [ - "len(item.sec_struct_list)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "09122373-e2ed-4898-b60f-0bfd19b4ac57", - "metadata": {}, - "outputs": [], - "source": [ - "coordinates = np.column_stack([item.x_coord_list, item.y_coord_list, item.z_coord_list])\n", - "coordinates = coordinates.reshape([-1, item.num_atoms, 3])\n", - "coordinates = puw.quantity(coordinates, 'angstroms')\n", - "coordinates = puw.standardize(coordinates)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "8165caf4-39ef-4f07-87c8-92d32e71e93d", - "metadata": {}, - "outputs": [], - "source": [ - "38*20" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "52146f9a-4d7c-409d-887a-1e3b3e082155", - "metadata": {}, - "outputs": [], - "source": [ - "item.unit_cell" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "5f54c17c-ae9e-4585-ab69-6cef9e1e846d", - "metadata": {}, - "outputs": [], - "source": [ - "import numpy as np" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "4ca0d174-a2cd-4db3-9e10-b2105acf2c03", - "metadata": {}, - "outputs": [], - "source": [ - "aa = np.array(item.alt_loc_list)" - ] - }, { "cell_type": "code", "execution_count": null, - "id": "ce984240-7d65-4115-8a8c-eb27681eb4b2", + "id": "175c9905-31b2-44a0-9d9f-8293035a16e5", "metadata": {}, "outputs": [], "source": []