# 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_spkb20467 # _entry.id spkb20467 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 SER 2 1 n SER 3 1 n TYR 4 1 n GLY 5 1 n SER 6 1 n VAL 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n PHE 11 1 n SER 12 1 n LEU 13 1 n LEU 14 1 n VAL 15 1 n TRP 16 1 n GLY 17 1 n THR 18 1 n ILE 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 @ 2025-07-05 13:40:31)" _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 92.14 _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 73.09 1 1 A SER 2 2 78.05 1 2 A SER 3 2 86.97 1 3 A TYR 4 2 88.66 1 4 A GLY 5 2 96.52 1 5 A SER 6 2 94.97 1 6 A VAL 7 2 95.98 1 7 A LEU 8 2 94.86 1 8 A PHE 9 2 94.31 1 9 A LEU 10 2 94.89 1 10 A PHE 11 2 94.31 1 11 A SER 12 2 96.86 1 12 A LEU 13 2 95.98 1 13 A LEU 14 2 95.63 1 14 A VAL 15 2 96.95 1 15 A TRP 16 2 92.80 1 16 A GLY 17 2 97.56 1 17 A THR 18 2 94.22 1 18 A ILE 19 2 92.69 1 19 A ALA 20 2 89.84 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 SER . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ILE . 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 ? 3.674 6.149 16.853 1.00 80.24 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.201 5.177 15.853 1.00 80.75 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.125 5.837 14.479 1.00 81.13 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.485 6.880 14.325 1.00 74.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.814 4.650 16.213 1.00 73.92 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.743 4.003 17.592 1.00 70.51 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.620 5.199 18.925 1.00 64.58 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.319 4.107 20.307 1.00 59.19 1 A 1 ATOM 9 N N . SER A 1 2 ? 3.751 5.242 13.483 1.00 78.57 2 A 1 ATOM 10 C CA . SER A 1 2 ? 3.741 5.777 12.128 1.00 82.23 2 A 1 ATOM 11 C C . SER A 1 2 ? 2.624 5.128 11.320 1.00 84.99 2 A 1 ATOM 12 O O . SER A 1 2 ? 2.762 3.994 10.863 1.00 79.23 2 A 1 ATOM 13 C CB . SER A 1 2 ? 5.089 5.534 11.457 1.00 75.64 2 A 1 ATOM 14 O OG . SER A 1 2 ? 6.146 6.100 12.221 1.00 67.64 2 A 1 ATOM 15 N N . SER A 1 3 ? 1.523 5.848 11.150 1.00 85.47 3 A 1 ATOM 16 C CA . SER A 1 3 ? 0.367 5.351 10.411 1.00 90.55 3 A 1 ATOM 17 C C . SER A 1 3 ? 0.606 5.391 8.909 1.00 93.25 3 A 1 ATOM 18 O O . SER A 1 3 ? -0.075 4.711 8.144 1.00 90.32 3 A 1 ATOM 19 C CB . SER A 1 3 ? -0.877 6.167 10.763 1.00 85.28 3 A 1 ATOM 20 O OG . SER A 1 3 ? -1.105 6.162 12.163 1.00 76.95 3 A 1 ATOM 21 N N . TYR A 1 4 ? 1.578 6.194 8.501 1.00 92.41 4 A 1 ATOM 22 C CA . TYR A 1 4 ? 1.900 6.346 7.081 1.00 94.11 4 A 1 ATOM 23 C C . TYR A 1 4 ? 2.323 5.014 6.459 1.00 95.58 4 A 1 ATOM 24 O O . TYR A 1 4 ? 2.020 4.733 5.297 1.00 94.50 4 A 1 ATOM 25 C CB . TYR A 1 4 ? 3.013 7.386 6.908 1.00 91.83 4 A 1 ATOM 26 C CG . TYR A 1 4 ? 2.629 8.755 7.438 1.00 88.73 4 A 1 ATOM 27 C CD1 . TYR A 1 4 ? 1.743 9.558 6.736 1.00 86.53 4 A 1 ATOM 28 C CD2 . TYR A 1 4 ? 3.149 9.228 8.630 1.00 85.15 4 A 1 ATOM 29 C CE1 . TYR A 1 4 ? 1.382 10.806 7.216 1.00 83.52 4 A 1 ATOM 30 C CE2 . TYR A 1 4 ? 2.791 10.476 9.121 1.00 84.05 4 A 1 ATOM 31 C CZ . TYR A 1 4 ? 1.908 11.259 8.407 1.00 84.54 4 A 1 ATOM 32 O OH . TYR A 1 4 ? 1.553 12.496 8.886 1.00 82.95 4 A 1 ATOM 33 N N . GLY A 1 5 ? 3.015 4.198 7.224 1.00 95.62 5 A 1 ATOM 34 C CA . GLY A 1 5 ? 3.433 2.884 6.748 1.00 96.46 5 A 1 ATOM 35 C C . GLY A 1 5 ? 2.251 1.978 6.477 1.00 97.26 5 A 1 ATOM 36 O O . GLY A 1 5 ? 2.221 1.252 5.483 1.00 96.73 5 A 1 ATOM 37 N N . SER A 1 6 ? 1.260 2.029 7.362 1.00 96.16 6 A 1 ATOM 38 C CA . SER A 1 6 ? 0.043 1.231 7.216 1.00 96.95 6 A 1 ATOM 39 C C . SER A 1 6 ? -0.766 1.688 6.005 1.00 97.59 6 A 1 ATOM 40 O O . SER A 1 6 ? -1.343 0.871 5.287 1.00 96.61 6 A 1 ATOM 41 C CB . SER A 1 6 ? -0.813 1.334 8.477 1.00 95.48 6 A 1 ATOM 42 O OG . SER A 1 6 ? -0.067 0.950 9.620 1.00 87.04 6 A 1 ATOM 43 N N . VAL A 1 7 ? -0.792 3.000 5.786 1.00 96.79 7 A 1 ATOM 44 C CA . VAL A 1 7 ? -1.505 3.576 4.641 1.00 97.33 7 A 1 ATOM 45 C C . VAL A 1 7 ? -0.887 3.089 3.334 1.00 97.61 7 A 1 ATOM 46 O O . VAL A 1 7 ? -1.594 2.750 2.383 1.00 96.98 7 A 1 ATOM 47 C CB . VAL A 1 7 ? -1.480 5.116 4.692 1.00 96.60 7 A 1 ATOM 48 C CG1 . VAL A 1 7 ? -2.114 5.707 3.438 1.00 93.72 7 A 1 ATOM 49 C CG2 . VAL A 1 7 ? -2.200 5.613 5.933 1.00 92.83 7 A 1 ATOM 50 N N . LEU A 1 8 ? 0.442 3.056 3.305 1.00 97.27 8 A 1 ATOM 51 C CA . LEU A 1 8 ? 1.168 2.593 2.124 1.00 97.45 8 A 1 ATOM 52 C C . LEU A 1 8 ? 0.833 1.134 1.829 1.00 97.64 8 A 1 ATOM 53 O O . LEU A 1 8 ? 0.664 0.741 0.675 1.00 97.46 8 A 1 ATOM 54 C CB . LEU A 1 8 ? 2.677 2.744 2.341 1.00 97.17 8 A 1 ATOM 55 C CG . LEU A 1 8 ? 3.506 2.627 1.065 1.00 92.99 8 A 1 ATOM 56 C CD1 . LEU A 1 8 ? 3.386 3.902 0.240 1.00 89.83 8 A 1 ATOM 57 C CD2 . LEU A 1 8 ? 4.964 2.351 1.398 1.00 89.10 8 A 1 ATOM 58 N N . PHE A 1 9 ? 0.749 0.342 2.885 1.00 96.93 9 A 1 ATOM 59 C CA . PHE A 1 9 ? 0.410 -1.072 2.758 1.00 96.63 9 A 1 ATOM 60 C C . PHE A 1 9 ? -0.989 -1.242 2.167 1.00 97.30 9 A 1 ATOM 61 O O . PHE A 1 9 ? -1.204 -2.060 1.270 1.00 97.21 9 A 1 ATOM 62 C CB . PHE A 1 9 ? 0.491 -1.740 4.129 1.00 96.17 9 A 1 ATOM 63 C CG . PHE A 1 9 ? 0.088 -3.190 4.108 1.00 94.33 9 A 1 ATOM 64 C CD1 . PHE A 1 9 ? 0.888 -4.131 3.483 1.00 91.77 9 A 1 ATOM 65 C CD2 . PHE A 1 9 ? -1.087 -3.597 4.714 1.00 92.03 9 A 1 ATOM 66 C CE1 . PHE A 1 9 ? 0.522 -5.465 3.460 1.00 91.38 9 A 1 ATOM 67 C CE2 . PHE A 1 9 ? -1.459 -4.936 4.690 1.00 91.43 9 A 1 ATOM 68 C CZ . PHE A 1 9 ? -0.655 -5.869 4.063 1.00 92.19 9 A 1 ATOM 69 N N . LEU A 1 10 ? -1.931 -0.452 2.671 1.00 96.95 10 A 1 ATOM 70 C CA . LEU A 1 10 ? -3.307 -0.494 2.180 1.00 97.09 10 A 1 ATOM 71 C C . LEU A 1 10 ? -3.373 -0.086 0.714 1.00 97.54 10 A 1 ATOM 72 O O . LEU A 1 10 ? -4.118 -0.672 -0.076 1.00 97.52 10 A 1 ATOM 73 C CB . LEU A 1 10 ? -4.191 0.433 3.019 1.00 96.81 10 A 1 ATOM 74 C CG . LEU A 1 10 ? -4.610 -0.145 4.370 1.00 92.75 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? -5.205 0.936 5.260 1.00 90.43 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? -5.619 -1.269 4.165 1.00 90.05 10 A 1 ATOM 77 N N . PHE A 1 11 ? -2.587 0.919 0.364 1.00 96.88 11 A 1 ATOM 78 C CA . PHE A 1 11 ? -2.530 1.405 -1.010 1.00 96.66 11 A 1 ATOM 79 C C . PHE A 1 11 ? -2.024 0.317 -1.949 1.00 97.40 11 A 1 ATOM 80 O O . PHE A 1 11 ? -2.589 0.099 -3.019 1.00 97.28 11 A 1 ATOM 81 C CB . PHE A 1 11 ? -1.624 2.633 -1.091 1.00 96.25 11 A 1 ATOM 82 C CG . PHE A 1 11 ? -1.572 3.241 -2.466 1.00 94.16 11 A 1 ATOM 83 C CD1 . PHE A 1 11 ? -2.641 3.980 -2.948 1.00 91.12 11 A 1 ATOM 84 C CD2 . PHE A 1 11 ? -0.457 3.068 -3.264 1.00 92.18 11 A 1 ATOM 85 C CE1 . PHE A 1 11 ? -2.605 4.545 -4.210 1.00 91.46 11 A 1 ATOM 86 C CE2 . PHE A 1 11 ? -0.415 3.624 -4.536 1.00 91.56 11 A 1 ATOM 87 C CZ . PHE A 1 11 ? -1.488 4.362 -5.010 1.00 92.41 11 A 1 ATOM 88 N N . SER A 1 12 ? -0.958 -0.362 -1.540 1.00 97.83 12 A 1 ATOM 89 C CA . SER A 1 12 ? -0.385 -1.440 -2.343 1.00 97.89 12 A 1 ATOM 90 C C . SER A 1 12 ? -1.406 -2.553 -2.557 1.00 98.12 12 A 1 ATOM 91 O O . SER A 1 12 ? -1.529 -3.092 -3.658 1.00 97.43 12 A 1 ATOM 92 C CB . SER A 1 12 ? 0.858 -2.005 -1.662 1.00 97.43 12 A 1 ATOM 93 O OG . SER A 1 12 ? 1.847 -0.999 -1.510 1.00 92.43 12 A 1 ATOM 94 N N . LEU A 1 13 ? -2.131 -2.880 -1.501 1.00 97.91 13 A 1 ATOM 95 C CA . LEU A 1 13 ? -3.157 -3.919 -1.561 1.00 97.80 13 A 1 ATOM 96 C C . LEU A 1 13 ? -4.282 -3.504 -2.507 1.00 97.94 13 A 1 ATOM 97 O O . LEU A 1 13 ? -4.796 -4.321 -3.279 1.00 97.58 13 A 1 ATOM 98 C CB . LEU A 1 13 ? -3.701 -4.189 -0.154 1.00 97.52 13 A 1 ATOM 99 C CG . LEU A 1 13 ? -4.498 -5.486 -0.012 1.00 94.75 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? -4.277 -6.091 1.372 1.00 92.26 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? -5.980 -5.243 -0.233 1.00 92.07 13 A 1 ATOM 102 N N . LEU A 1 14 ? -4.654 -2.233 -2.448 1.00 97.99 14 A 1 ATOM 103 C CA . LEU A 1 14 ? -5.709 -1.690 -3.300 1.00 97.81 14 A 1 ATOM 104 C C . LEU A 1 14 ? -5.297 -1.727 -4.766 1.00 97.91 14 A 1 ATOM 105 O O . LEU A 1 14 ? -6.102 -2.070 -5.639 1.00 97.50 14 A 1 ATOM 106 C CB . LEU A 1 14 ? -6.037 -0.257 -2.869 1.00 97.52 14 A 1 ATOM 107 C CG . LEU A 1 14 ? -7.291 0.336 -3.513 1.00 94.46 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? -8.039 1.212 -2.513 1.00 90.83 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? -6.940 1.148 -4.746 1.00 91.04 14 A 1 ATOM 110 N N . VAL A 1 15 ? -4.042 -1.374 -5.035 1.00 98.01 15 A 1 ATOM 111 C CA . VAL A 1 15 ? -3.514 -1.371 -6.400 1.00 97.83 15 A 1 ATOM 112 C C . VAL A 1 15 ? -3.578 -2.771 -6.999 1.00 97.91 15 A 1 ATOM 113 O O . VAL A 1 15 ? -4.069 -2.963 -8.111 1.00 97.38 15 A 1 ATOM 114 C CB . VAL A 1 15 ? -2.066 -0.845 -6.433 1.00 97.14 15 A 1 ATOM 115 C CG1 . VAL A 1 15 ? -1.450 -1.034 -7.813 1.00 95.28 15 A 1 ATOM 116 C CG2 . VAL A 1 15 ? -2.029 0.622 -6.048 1.00 95.13 15 A 1 ATOM 117 N N . TRP A 1 16 ? -3.074 -3.748 -6.248 1.00 97.22 16 A 1 ATOM 118 C CA . TRP A 1 16 ? -3.084 -5.130 -6.740 1.00 96.94 16 A 1 ATOM 119 C C . TRP A 1 16 ? -4.513 -5.643 -6.871 1.00 97.24 16 A 1 ATOM 120 O O . TRP A 1 16 ? -4.801 -6.478 -7.727 1.00 96.45 16 A 1 ATOM 121 C CB . TRP A 1 16 ? -2.276 -6.033 -5.808 1.00 96.22 16 A 1 ATOM 122 C CG . TRP A 1 16 ? -0.798 -5.726 -5.751 1.00 94.75 16 A 1 ATOM 123 C CD1 . TRP A 1 16 ? 0.085 -6.227 -4.842 1.00 90.50 16 A 1 ATOM 124 C CD2 . TRP A 1 16 ? -0.017 -4.888 -6.618 1.00 92.87 16 A 1 ATOM 125 N NE1 . TRP A 1 16 ? 1.341 -5.757 -5.089 1.00 89.95 16 A 1 ATOM 126 C CE2 . TRP A 1 16 ? 1.318 -4.925 -6.168 1.00 92.06 16 A 1 ATOM 127 C CE3 . TRP A 1 16 ? -0.308 -4.104 -7.741 1.00 90.44 16 A 1 ATOM 128 C CZ2 . TRP A 1 16 ? 2.338 -4.207 -6.795 1.00 90.72 16 A 1 ATOM 129 C CZ3 . TRP A 1 16 ? 0.707 -3.387 -8.366 1.00 86.96 16 A 1 ATOM 130 C CH2 . TRP A 1 16 ? 2.015 -3.442 -7.889 1.00 86.89 16 A 1 ATOM 131 N N . GLY A 1 17 ? -5.406 -5.147 -6.033 1.00 97.74 17 A 1 ATOM 132 C CA . GLY A 1 17 ? -6.808 -5.536 -6.088 1.00 97.56 17 A 1 ATOM 133 C C . GLY A 1 17 ? -7.502 -5.013 -7.332 1.00 97.85 17 A 1 ATOM 134 O O . GLY A 1 17 ? -8.381 -5.671 -7.888 1.00 97.11 17 A 1 ATOM 135 N N . THR A 1 18 ? -7.106 -3.821 -7.773 1.00 97.20 18 A 1 ATOM 136 C CA . THR A 1 18 ? -7.688 -3.216 -8.972 1.00 97.06 18 A 1 ATOM 137 C C . THR A 1 18 ? -7.050 -3.777 -10.240 1.00 97.22 18 A 1 ATOM 138 O O . THR A 1 18 ? -7.732 -3.986 -11.245 1.00 95.25 18 A 1 ATOM 139 C CB . THR A 1 18 ? -7.527 -1.687 -8.956 1.00 95.79 18 A 1 ATOM 140 O OG1 . THR A 1 18 ? -6.191 -1.334 -8.627 1.00 89.51 18 A 1 ATOM 141 C CG2 . THR A 1 18 ? -8.471 -1.056 -7.955 1.00 87.50 18 A 1 ATOM 142 N N . ILE A 1 19 ? -5.743 -4.009 -10.184 1.00 97.12 19 A 1 ATOM 143 C CA . ILE A 1 19 ? -5.013 -4.548 -11.332 1.00 96.52 19 A 1 ATOM 144 C C . ILE A 1 19 ? -5.400 -5.999 -11.593 1.00 96.50 19 A 1 ATOM 145 O O . ILE A 1 19 ? -5.661 -6.395 -12.731 1.00 95.32 19 A 1 ATOM 146 C CB . ILE A 1 19 ? -3.493 -4.440 -11.113 1.00 94.87 19 A 1 ATOM 147 C CG1 . ILE A 1 19 ? -3.054 -2.970 -11.039 1.00 90.73 19 A 1 ATOM 148 C CG2 . ILE A 1 19 ? -2.733 -5.161 -12.217 1.00 87.91 19 A 1 ATOM 149 C CD1 . ILE A 1 19 ? -3.214 -2.214 -12.338 1.00 82.59 19 A 1 ATOM 150 N N . ALA A 1 20 ? -5.414 -6.786 -10.537 1.00 95.52 20 A 1 ATOM 151 C CA . ALA A 1 20 ? -5.741 -8.201 -10.639 1.00 94.15 20 A 1 ATOM 152 C C . ALA A 1 20 ? -7.232 -8.431 -10.406 1.00 91.90 20 A 1 ATOM 153 O O . ALA A 1 20 ? -7.792 -7.856 -9.459 1.00 87.99 20 A 1 ATOM 154 C CB . ALA A 1 20 ? -4.905 -9.006 -9.657 1.00 89.68 20 A 1 ATOM 155 O OXT . ALA A 1 20 ? -7.850 -9.189 -11.172 1.00 79.78 20 A 1 #