# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb39912 # _entry.id spkb39912 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n THR 2 1 n PHE 3 1 n PHE 4 1 n LEU 5 1 n VAL 6 1 n ILE 7 1 n ILE 8 1 n LEU 9 1 n ALA 10 1 n ILE 11 1 n SER 12 1 n SER 13 1 n SER 14 1 n ASN 15 1 n TYR 16 1 n ASN 17 1 n VAL 18 1 n LEU 19 1 n ALA 20 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-03 00:24:39)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 90.61 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 80.79 1 1 A THR 2 2 86.97 1 2 A PHE 3 2 86.31 1 3 A PHE 4 2 89.14 1 4 A LEU 5 2 90.50 1 5 A VAL 6 2 94.19 1 6 A ILE 7 2 93.70 1 7 A ILE 8 2 93.72 1 8 A LEU 9 2 92.27 1 9 A ALA 10 2 96.00 1 10 A ILE 11 2 93.41 1 11 A SER 12 2 93.75 1 12 A SER 13 2 93.37 1 13 A SER 14 2 94.54 1 14 A ASN 15 2 91.56 1 15 A TYR 16 2 90.81 1 16 A ASN 17 2 90.10 1 17 A VAL 18 2 92.50 1 18 A LEU 19 2 89.89 1 19 A ALA 20 2 83.59 1 20 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n THR . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -4.609 14.464 0.868 1.00 87.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.932 13.165 0.739 1.00 88.67 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.419 13.352 0.630 1.00 89.62 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.909 13.744 -0.419 1.00 87.66 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.433 12.408 -0.493 1.00 81.56 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.391 13.223 -1.779 1.00 76.20 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.093 12.314 -3.163 1.00 71.58 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.970 13.552 -4.458 1.00 63.45 1 A 1 ATOM 9 N N . THR A 1 2 ? -1.727 13.077 1.706 1.00 88.18 2 A 1 ATOM 10 C CA . THR A 1 2 ? -0.275 13.212 1.724 1.00 91.16 2 A 1 ATOM 11 C C . THR A 1 2 ? 0.401 11.846 1.796 1.00 92.66 2 A 1 ATOM 12 O O . THR A 1 2 ? 1.232 11.506 0.957 1.00 90.24 2 A 1 ATOM 13 C CB . THR A 1 2 ? 0.170 14.064 2.917 1.00 88.10 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -0.431 13.556 4.110 1.00 80.24 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -0.222 15.512 2.735 1.00 78.21 2 A 1 ATOM 16 N N . PHE A 1 3 ? 0.027 11.067 2.801 1.00 91.95 3 A 1 ATOM 17 C CA . PHE A 1 3 ? 0.605 9.744 3.005 1.00 91.69 3 A 1 ATOM 18 C C . PHE A 1 3 ? -0.354 8.641 2.557 1.00 93.84 3 A 1 ATOM 19 O O . PHE A 1 3 ? -0.078 7.456 2.719 1.00 93.20 3 A 1 ATOM 20 C CB . PHE A 1 3 ? 0.959 9.567 4.483 1.00 89.23 3 A 1 ATOM 21 C CG . PHE A 1 3 ? 2.202 8.741 4.687 1.00 85.22 3 A 1 ATOM 22 C CD1 . PHE A 1 3 ? 3.448 9.272 4.407 1.00 82.68 3 A 1 ATOM 23 C CD2 . PHE A 1 3 ? 2.111 7.447 5.161 1.00 83.10 3 A 1 ATOM 24 C CE1 . PHE A 1 3 ? 4.598 8.525 4.594 1.00 80.16 3 A 1 ATOM 25 C CE2 . PHE A 1 3 ? 3.258 6.689 5.350 1.00 79.10 3 A 1 ATOM 26 C CZ . PHE A 1 3 ? 4.503 7.229 5.070 1.00 79.29 3 A 1 ATOM 27 N N . PHE A 1 4 ? -1.491 9.051 2.001 1.00 93.54 4 A 1 ATOM 28 C CA . PHE A 1 4 ? -2.531 8.117 1.575 1.00 93.56 4 A 1 ATOM 29 C C . PHE A 1 4 ? -2.016 7.145 0.519 1.00 94.93 4 A 1 ATOM 30 O O . PHE A 1 4 ? -2.226 5.936 0.618 1.00 94.28 4 A 1 ATOM 31 C CB . PHE A 1 4 ? -3.731 8.898 1.033 1.00 92.32 4 A 1 ATOM 32 C CG . PHE A 1 4 ? -4.989 8.075 0.973 1.00 89.35 4 A 1 ATOM 33 C CD1 . PHE A 1 4 ? -5.562 7.587 2.133 1.00 84.94 4 A 1 ATOM 34 C CD2 . PHE A 1 4 ? -5.588 7.798 -0.247 1.00 85.77 4 A 1 ATOM 35 C CE1 . PHE A 1 4 ? -6.723 6.829 2.083 1.00 83.74 4 A 1 ATOM 36 C CE2 . PHE A 1 4 ? -6.749 7.038 -0.302 1.00 83.65 4 A 1 ATOM 37 C CZ . PHE A 1 4 ? -7.318 6.554 0.864 1.00 84.51 4 A 1 ATOM 38 N N . LEU A 1 5 ? -1.347 7.678 -0.496 1.00 93.62 5 A 1 ATOM 39 C CA . LEU A 1 5 ? -0.811 6.848 -1.574 1.00 93.61 5 A 1 ATOM 40 C C . LEU A 1 5 ? 0.213 5.848 -1.052 1.00 94.73 5 A 1 ATOM 41 O O . LEU A 1 5 ? 0.253 4.695 -1.487 1.00 95.01 5 A 1 ATOM 42 C CB . LEU A 1 5 ? -0.172 7.738 -2.644 1.00 93.06 5 A 1 ATOM 43 C CG . LEU A 1 5 ? -1.178 8.524 -3.484 1.00 86.20 5 A 1 ATOM 44 C CD1 . LEU A 1 5 ? -0.468 9.597 -4.293 1.00 83.50 5 A 1 ATOM 45 C CD2 . LEU A 1 5 ? -1.935 7.588 -4.419 1.00 84.31 5 A 1 ATOM 46 N N . VAL A 1 6 ? 1.029 6.301 -0.125 1.00 95.10 6 A 1 ATOM 47 C CA . VAL A 1 6 ? 2.057 5.446 0.469 1.00 95.33 6 A 1 ATOM 48 C C . VAL A 1 6 ? 1.414 4.297 1.239 1.00 95.86 6 A 1 ATOM 49 O O . VAL A 1 6 ? 1.874 3.155 1.176 1.00 95.34 6 A 1 ATOM 50 C CB . VAL A 1 6 ? 2.976 6.254 1.403 1.00 94.45 6 A 1 ATOM 51 C CG1 . VAL A 1 6 ? 4.081 5.368 1.962 1.00 91.46 6 A 1 ATOM 52 C CG2 . VAL A 1 6 ? 3.577 7.441 0.660 1.00 91.81 6 A 1 ATOM 53 N N . ILE A 1 7 ? 0.347 4.617 1.955 1.00 95.24 7 A 1 ATOM 54 C CA . ILE A 1 7 ? -0.365 3.613 2.741 1.00 95.17 7 A 1 ATOM 55 C C . ILE A 1 7 ? -0.978 2.561 1.822 1.00 95.38 7 A 1 ATOM 56 O O . ILE A 1 7 ? -0.877 1.357 2.077 1.00 94.82 7 A 1 ATOM 57 C CB . ILE A 1 7 ? -1.460 4.268 3.605 1.00 95.19 7 A 1 ATOM 58 C CG1 . ILE A 1 7 ? -0.835 5.203 4.642 1.00 93.26 7 A 1 ATOM 59 C CG2 . ILE A 1 7 ? -2.292 3.192 4.306 1.00 92.66 7 A 1 ATOM 60 C CD1 . ILE A 1 7 ? -1.844 6.124 5.303 1.00 87.91 7 A 1 ATOM 61 N N . ILE A 1 8 ? -1.607 3.016 0.749 1.00 95.65 8 A 1 ATOM 62 C CA . ILE A 1 8 ? -2.230 2.113 -0.215 1.00 95.15 8 A 1 ATOM 63 C C . ILE A 1 8 ? -1.181 1.201 -0.838 1.00 95.15 8 A 1 ATOM 64 O O . ILE A 1 8 ? -1.404 -0.001 -1.012 1.00 94.61 8 A 1 ATOM 65 C CB . ILE A 1 8 ? -2.953 2.905 -1.320 1.00 95.10 8 A 1 ATOM 66 C CG1 . ILE A 1 8 ? -4.102 3.724 -0.724 1.00 93.43 8 A 1 ATOM 67 C CG2 . ILE A 1 8 ? -3.493 1.952 -2.390 1.00 92.61 8 A 1 ATOM 68 C CD1 . ILE A 1 8 ? -4.657 4.751 -1.684 1.00 88.09 8 A 1 ATOM 69 N N . LEU A 1 9 ? -0.056 1.773 -1.173 1.00 95.24 9 A 1 ATOM 70 C CA . LEU A 1 9 ? 1.034 1.012 -1.772 1.00 94.64 9 A 1 ATOM 71 C C . LEU A 1 9 ? 1.532 -0.065 -0.817 1.00 95.24 9 A 1 ATOM 72 O O . LEU A 1 9 ? 1.801 -1.196 -1.225 1.00 95.16 9 A 1 ATOM 73 C CB . LEU A 1 9 ? 2.185 1.951 -2.148 1.00 94.39 9 A 1 ATOM 74 C CG . LEU A 1 9 ? 3.294 1.268 -2.955 1.00 89.21 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? 3.384 1.871 -4.354 1.00 86.64 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? 4.632 1.413 -2.245 1.00 87.63 9 A 1 ATOM 77 N N . ALA A 1 10 ? 1.648 0.290 0.455 1.00 96.12 10 A 1 ATOM 78 C CA . ALA A 1 10 ? 2.107 -0.648 1.474 1.00 96.19 10 A 1 ATOM 79 C C . ALA A 1 10 ? 1.129 -1.809 1.623 1.00 96.39 10 A 1 ATOM 80 O O . ALA A 1 10 ? 1.535 -2.972 1.691 1.00 95.27 10 A 1 ATOM 81 C CB . ALA A 1 10 ? 2.282 0.076 2.805 1.00 96.02 10 A 1 ATOM 82 N N . ILE A 1 11 ? -0.151 -1.492 1.647 1.00 95.87 11 A 1 ATOM 83 C CA . ILE A 1 11 ? -1.197 -2.506 1.777 1.00 95.05 11 A 1 ATOM 84 C C . ILE A 1 11 ? -1.220 -3.403 0.548 1.00 94.96 11 A 1 ATOM 85 O O . ILE A 1 11 ? -1.307 -4.631 0.659 1.00 93.94 11 A 1 ATOM 86 C CB . ILE A 1 11 ? -2.576 -1.851 1.974 1.00 94.88 11 A 1 ATOM 87 C CG1 . ILE A 1 11 ? -2.605 -1.036 3.268 1.00 92.64 11 A 1 ATOM 88 C CG2 . ILE A 1 11 ? -3.664 -2.926 2.008 1.00 91.87 11 A 1 ATOM 89 C CD1 . ILE A 1 11 ? -3.786 -0.092 3.350 1.00 88.03 11 A 1 ATOM 90 N N . SER A 1 12 ? -1.139 -2.793 -0.622 1.00 96.05 12 A 1 ATOM 91 C CA . SER A 1 12 ? -1.144 -3.528 -1.880 1.00 95.71 12 A 1 ATOM 92 C C . SER A 1 12 ? 0.045 -4.477 -1.954 1.00 95.72 12 A 1 ATOM 93 O O . SER A 1 12 ? -0.090 -5.631 -2.361 1.00 94.39 12 A 1 ATOM 94 C CB . SER A 1 12 ? -1.112 -2.559 -3.059 1.00 95.11 12 A 1 ATOM 95 O OG . SER A 1 12 ? -1.212 -3.272 -4.273 1.00 85.53 12 A 1 ATOM 96 N N . SER A 1 13 ? 1.202 -3.994 -1.551 1.00 96.03 13 A 1 ATOM 97 C CA . SER A 1 13 ? 2.420 -4.793 -1.553 1.00 95.52 13 A 1 ATOM 98 C C . SER A 1 13 ? 2.276 -5.998 -0.633 1.00 95.66 13 A 1 ATOM 99 O O . SER A 1 13 ? 2.660 -7.113 -0.988 1.00 94.22 13 A 1 ATOM 100 C CB . SER A 1 13 ? 3.614 -3.943 -1.113 1.00 94.64 13 A 1 ATOM 101 O OG . SER A 1 13 ? 4.800 -4.702 -1.152 1.00 84.14 13 A 1 ATOM 102 N N . SER A 1 14 ? 1.707 -5.773 0.534 1.00 96.46 14 A 1 ATOM 103 C CA . SER A 1 14 ? 1.497 -6.834 1.508 1.00 96.30 14 A 1 ATOM 104 C C . SER A 1 14 ? 0.519 -7.875 0.975 1.00 96.46 14 A 1 ATOM 105 O O . SER A 1 14 ? 0.728 -9.080 1.134 1.00 94.93 14 A 1 ATOM 106 C CB . SER A 1 14 ? 0.984 -6.254 2.827 1.00 95.51 14 A 1 ATOM 107 O OG . SER A 1 14 ? 0.911 -7.258 3.817 1.00 87.59 14 A 1 ATOM 108 N N . ASN A 1 15 ? -0.537 -7.413 0.320 1.00 95.17 15 A 1 ATOM 109 C CA . ASN A 1 15 ? -1.544 -8.297 -0.256 1.00 95.34 15 A 1 ATOM 110 C C . ASN A 1 15 ? -0.941 -9.173 -1.351 1.00 95.69 15 A 1 ATOM 111 O O . ASN A 1 15 ? -1.166 -10.382 -1.390 1.00 94.70 15 A 1 ATOM 112 C CB . ASN A 1 15 ? -2.704 -7.479 -0.825 1.00 94.52 15 A 1 ATOM 113 C CG . ASN A 1 15 ? -3.722 -7.126 0.233 1.00 90.39 15 A 1 ATOM 114 O OD1 . ASN A 1 15 ? -4.814 -7.682 0.272 1.00 83.35 15 A 1 ATOM 115 N ND2 . ASN A 1 15 ? -3.379 -6.197 1.102 1.00 83.35 15 A 1 ATOM 116 N N . TYR A 1 16 ? -0.170 -8.548 -2.228 1.00 95.92 16 A 1 ATOM 117 C CA . TYR A 1 16 ? 0.476 -9.275 -3.319 1.00 96.02 16 A 1 ATOM 118 C C . TYR A 1 16 ? 1.501 -10.266 -2.780 1.00 96.34 16 A 1 ATOM 119 O O . TYR A 1 16 ? 1.676 -11.351 -3.330 1.00 95.43 16 A 1 ATOM 120 C CB . TYR A 1 16 ? 1.155 -8.290 -4.276 1.00 95.09 16 A 1 ATOM 121 C CG . TYR A 1 16 ? 0.219 -7.771 -5.348 1.00 90.62 16 A 1 ATOM 122 C CD1 . TYR A 1 16 ? -0.829 -6.925 -5.032 1.00 87.41 16 A 1 ATOM 123 C CD2 . TYR A 1 16 ? 0.395 -8.145 -6.674 1.00 88.30 16 A 1 ATOM 124 C CE1 . TYR A 1 16 ? -1.692 -6.458 -6.008 1.00 86.03 16 A 1 ATOM 125 C CE2 . TYR A 1 16 ? -0.462 -7.679 -7.663 1.00 87.70 16 A 1 ATOM 126 C CZ . TYR A 1 16 ? -1.502 -6.834 -7.322 1.00 86.47 16 A 1 ATOM 127 O OH . TYR A 1 16 ? -2.347 -6.374 -8.295 1.00 84.36 16 A 1 ATOM 128 N N . ASN A 1 17 ? 2.165 -9.899 -1.693 1.00 93.96 17 A 1 ATOM 129 C CA . ASN A 1 17 ? 3.161 -10.758 -1.064 1.00 93.85 17 A 1 ATOM 130 C C . ASN A 1 17 ? 2.519 -12.042 -0.557 1.00 94.20 17 A 1 ATOM 131 O O . ASN A 1 17 ? 3.061 -13.136 -0.734 1.00 92.79 17 A 1 ATOM 132 C CB . ASN A 1 17 ? 3.842 -10.023 0.092 1.00 93.01 17 A 1 ATOM 133 C CG . ASN A 1 17 ? 5.090 -10.743 0.565 1.00 88.57 17 A 1 ATOM 134 O OD1 . ASN A 1 17 ? 5.287 -11.927 0.321 1.00 81.89 17 A 1 ATOM 135 N ND2 . ASN A 1 17 ? 5.962 -10.028 1.262 1.00 82.50 17 A 1 ATOM 136 N N . VAL A 1 18 ? 1.357 -11.912 0.057 1.00 94.66 18 A 1 ATOM 137 C CA . VAL A 1 18 ? 0.632 -13.062 0.594 1.00 95.01 18 A 1 ATOM 138 C C . VAL A 1 18 ? -0.000 -13.883 -0.522 1.00 95.47 18 A 1 ATOM 139 O O . VAL A 1 18 ? -0.020 -15.116 -0.466 1.00 93.87 18 A 1 ATOM 140 C CB . VAL A 1 18 ? -0.459 -12.616 1.584 1.00 93.51 18 A 1 ATOM 141 C CG1 . VAL A 1 18 ? -1.228 -13.820 2.115 1.00 87.83 18 A 1 ATOM 142 C CG2 . VAL A 1 18 ? 0.149 -11.833 2.734 1.00 87.13 18 A 1 ATOM 143 N N . LEU A 1 19 ? -0.527 -13.188 -1.525 1.00 93.55 19 A 1 ATOM 144 C CA . LEU A 1 19 ? -1.181 -13.843 -2.649 1.00 93.29 19 A 1 ATOM 145 C C . LEU A 1 19 ? -0.174 -14.434 -3.625 1.00 92.91 19 A 1 ATOM 146 O O . LEU A 1 19 ? -0.439 -15.470 -4.240 1.00 92.14 19 A 1 ATOM 147 C CB . LEU A 1 19 ? -2.085 -12.846 -3.378 1.00 92.90 19 A 1 ATOM 148 C CG . LEU A 1 19 ? -2.902 -13.448 -4.517 1.00 89.37 19 A 1 ATOM 149 C CD1 . LEU A 1 19 ? -3.906 -14.462 -3.983 1.00 84.20 19 A 1 ATOM 150 C CD2 . LEU A 1 19 ? -3.631 -12.343 -5.277 1.00 80.80 19 A 1 ATOM 151 N N . ALA A 1 20 ? 0.964 -13.781 -3.765 1.00 90.23 20 A 1 ATOM 152 C CA . ALA A 1 20 ? 2.008 -14.210 -4.692 1.00 88.29 20 A 1 ATOM 153 C C . ALA A 1 20 ? 2.411 -15.663 -4.423 1.00 83.88 20 A 1 ATOM 154 O O . ALA A 1 20 ? 2.451 -16.460 -5.375 1.00 80.11 20 A 1 ATOM 155 C CB . ALA A 1 20 ? 3.213 -13.274 -4.589 1.00 83.61 20 A 1 ATOM 156 O OXT . ALA A 1 20 ? 2.697 -15.996 -3.279 1.00 75.45 20 A 1 #