# 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_spkb12764 # _entry.id spkb12764 # 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" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([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 LYS 2 1 n LEU 3 1 n LEU 4 1 n ALA 5 1 n SER 6 1 n PRO 7 1 n PHE 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n PRO 13 1 n VAL 14 1 n MET 15 1 n LEU 16 1 n MET 17 1 n SER 18 1 n MET 19 1 n VAL 20 1 n PHE 21 1 n SER 22 # _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 @ 2025-07-10 13:16:37)" _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 89.43 _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 82.49 1 1 A LYS 2 2 77.57 1 2 A LEU 3 2 78.40 1 3 A LEU 4 2 84.53 1 4 A ALA 5 2 90.85 1 5 A SER 6 2 88.42 1 6 A PRO 7 2 92.44 1 7 A PHE 8 2 89.07 1 8 A LEU 9 2 90.40 1 9 A LEU 10 2 89.60 1 10 A LEU 11 2 91.94 1 11 A LEU 12 2 91.65 1 12 A PRO 13 2 95.02 1 13 A VAL 14 2 95.10 1 14 A MET 15 2 90.66 1 15 A LEU 16 2 93.19 1 16 A MET 17 2 90.26 1 17 A SER 18 2 94.93 1 18 A MET 19 2 91.97 1 19 A VAL 20 2 95.61 1 20 A PHE 21 2 92.36 1 21 A SER 22 2 85.23 1 22 # _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 LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n MET . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n MET . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n SER . 22 A 22 # _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 ? -13.715 9.015 -3.524 1.00 87.80 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.258 7.617 -3.478 1.00 89.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.850 7.526 -2.894 1.00 89.60 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.881 7.919 -3.535 1.00 85.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.267 7.017 -4.878 1.00 84.94 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.750 7.975 -5.935 1.00 80.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.035 7.362 -7.593 1.00 76.03 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.437 8.740 -8.543 1.00 65.88 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.747 7.015 -1.673 1.00 86.08 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.459 6.870 -1.000 1.00 86.94 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.344 5.522 -0.297 1.00 86.84 2 A 1 ATOM 12 O O . LYS A 1 2 ? -9.249 4.994 -0.133 1.00 84.17 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -10.286 8.005 0.010 1.00 83.22 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -11.483 8.159 0.935 1.00 74.28 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -11.365 9.428 1.747 1.00 72.27 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -12.615 9.665 2.561 1.00 65.30 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -12.538 10.957 3.294 1.00 59.07 2 A 1 ATOM 18 N N . LEU A 1 3 ? -11.472 4.977 0.109 1.00 82.42 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -11.493 3.684 0.786 1.00 84.07 3 A 1 ATOM 20 C C . LEU A 1 3 ? -12.295 2.648 0.016 1.00 86.42 3 A 1 ATOM 21 O O . LEU A 1 3 ? -12.071 1.447 0.164 1.00 84.14 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -12.090 3.847 2.183 1.00 81.30 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -11.847 2.634 3.078 1.00 72.71 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -10.439 2.685 3.643 1.00 69.60 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -12.865 2.612 4.211 1.00 66.57 3 A 1 ATOM 26 N N . LEU A 1 4 ? -13.232 3.114 -0.804 1.00 89.46 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -14.066 2.201 -1.579 1.00 90.52 4 A 1 ATOM 28 C C . LEU A 1 4 ? -13.442 1.856 -2.927 1.00 90.91 4 A 1 ATOM 29 O O . LEU A 1 4 ? -14.058 1.178 -3.751 1.00 89.71 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -15.494 2.764 -1.719 1.00 90.10 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -15.837 3.853 -2.738 1.00 79.18 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -15.844 5.221 -2.126 1.00 73.91 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -15.148 3.767 -4.045 1.00 72.45 4 A 1 ATOM 34 N N . ALA A 1 5 ? -12.212 2.321 -3.155 1.00 90.26 5 A 1 ATOM 35 C CA . ALA A 1 5 ? -11.519 2.034 -4.409 1.00 91.48 5 A 1 ATOM 36 C C . ALA A 1 5 ? -10.983 0.603 -4.410 1.00 92.39 5 A 1 ATOM 37 O O . ALA A 1 5 ? -11.547 -0.286 -5.041 1.00 90.91 5 A 1 ATOM 38 C CB . ALA A 1 5 ? -10.388 3.024 -4.617 1.00 89.21 5 A 1 ATOM 39 N N . SER A 1 6 ? -9.886 0.390 -3.692 1.00 91.36 6 A 1 ATOM 40 C CA . SER A 1 6 ? -9.285 -0.941 -3.606 1.00 91.59 6 A 1 ATOM 41 C C . SER A 1 6 ? -8.143 -0.951 -2.590 1.00 92.47 6 A 1 ATOM 42 O O . SER A 1 6 ? -6.975 -0.877 -2.960 1.00 91.24 6 A 1 ATOM 43 C CB . SER A 1 6 ? -8.780 -1.377 -4.975 1.00 88.48 6 A 1 ATOM 44 O OG . SER A 1 6 ? -7.967 -0.393 -5.563 1.00 75.38 6 A 1 ATOM 45 N N . PRO A 1 7 ? -8.464 -1.032 -1.296 1.00 92.94 7 A 1 ATOM 46 C CA . PRO A 1 7 ? -7.469 -1.043 -0.224 1.00 93.40 7 A 1 ATOM 47 C C . PRO A 1 7 ? -6.582 -2.284 -0.243 1.00 94.42 7 A 1 ATOM 48 O O . PRO A 1 7 ? -5.409 -2.222 0.120 1.00 92.90 7 A 1 ATOM 49 C CB . PRO A 1 7 ? -8.322 -0.992 1.043 1.00 91.46 7 A 1 ATOM 50 C CG . PRO A 1 7 ? -9.631 -1.580 0.638 1.00 90.00 7 A 1 ATOM 51 C CD . PRO A 1 7 ? -9.838 -1.155 -0.788 1.00 91.93 7 A 1 ATOM 52 N N . PHE A 1 8 ? -7.141 -3.403 -0.665 1.00 93.14 8 A 1 ATOM 53 C CA . PHE A 1 8 ? -6.384 -4.650 -0.724 1.00 93.34 8 A 1 ATOM 54 C C . PHE A 1 8 ? -5.297 -4.590 -1.791 1.00 94.23 8 A 1 ATOM 55 O O . PHE A 1 8 ? -4.276 -5.271 -1.689 1.00 93.22 8 A 1 ATOM 56 C CB . PHE A 1 8 ? -7.324 -5.813 -1.023 1.00 92.53 8 A 1 ATOM 57 C CG . PHE A 1 8 ? -8.322 -6.044 0.083 1.00 88.97 8 A 1 ATOM 58 C CD1 . PHE A 1 8 ? -7.924 -6.633 1.270 1.00 85.52 8 A 1 ATOM 59 C CD2 . PHE A 1 8 ? -9.643 -5.659 -0.072 1.00 85.57 8 A 1 ATOM 60 C CE1 . PHE A 1 8 ? -8.834 -6.846 2.297 1.00 83.97 8 A 1 ATOM 61 C CE2 . PHE A 1 8 ? -10.564 -5.866 0.954 1.00 84.15 8 A 1 ATOM 62 C CZ . PHE A 1 8 ? -10.154 -6.461 2.137 1.00 85.10 8 A 1 ATOM 63 N N . LEU A 1 9 ? -5.508 -3.773 -2.809 1.00 93.90 9 A 1 ATOM 64 C CA . LEU A 1 9 ? -4.538 -3.622 -3.888 1.00 93.68 9 A 1 ATOM 65 C C . LEU A 1 9 ? -3.307 -2.860 -3.414 1.00 94.28 9 A 1 ATOM 66 O O . LEU A 1 9 ? -2.251 -2.911 -4.042 1.00 93.50 9 A 1 ATOM 67 C CB . LEU A 1 9 ? -5.183 -2.895 -5.078 1.00 93.17 9 A 1 ATOM 68 C CG . LEU A 1 9 ? -5.780 -3.830 -6.133 1.00 87.57 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -4.670 -4.566 -6.858 1.00 83.57 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? -6.736 -4.817 -5.492 1.00 83.50 9 A 1 ATOM 71 N N . LEU A 1 10 ? -3.434 -2.143 -2.302 1.00 93.09 10 A 1 ATOM 72 C CA . LEU A 1 10 ? -2.335 -1.357 -1.751 1.00 92.94 10 A 1 ATOM 73 C C . LEU A 1 10 ? -1.317 -2.244 -1.035 1.00 94.01 10 A 1 ATOM 74 O O . LEU A 1 10 ? -0.238 -1.784 -0.670 1.00 93.26 10 A 1 ATOM 75 C CB . LEU A 1 10 ? -2.882 -0.313 -0.777 1.00 92.04 10 A 1 ATOM 76 C CG . LEU A 1 10 ? -3.679 0.805 -1.448 1.00 86.36 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? -4.379 1.647 -0.394 1.00 82.67 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? -2.763 1.677 -2.287 1.00 82.46 10 A 1 ATOM 79 N N . LEU A 1 11 ? -1.638 -3.489 -0.845 1.00 94.14 11 A 1 ATOM 80 C CA . LEU A 1 11 ? -0.739 -4.419 -0.166 1.00 94.37 11 A 1 ATOM 81 C C . LEU A 1 11 ? 0.494 -4.717 -1.017 1.00 95.12 11 A 1 ATOM 82 O O . LEU A 1 11 ? 1.570 -4.995 -0.491 1.00 94.55 11 A 1 ATOM 83 C CB . LEU A 1 11 ? -1.482 -5.722 0.142 1.00 93.91 11 A 1 ATOM 84 C CG . LEU A 1 11 ? -2.547 -5.583 1.233 1.00 89.29 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? -3.422 -6.828 1.278 1.00 86.98 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? -1.887 -5.365 2.586 1.00 87.20 11 A 1 ATOM 87 N N . LEU A 1 12 ? 0.337 -4.655 -2.328 1.00 94.82 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 1.445 -4.908 -3.245 1.00 94.55 12 A 1 ATOM 89 C C . LEU A 1 12 ? 2.540 -3.846 -3.111 1.00 95.41 12 A 1 ATOM 90 O O . LEU A 1 12 ? 3.708 -4.189 -2.907 1.00 95.14 12 A 1 ATOM 91 C CB . LEU A 1 12 ? 0.928 -4.973 -4.684 1.00 93.79 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 0.240 -6.293 -5.038 1.00 88.09 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? -0.504 -6.157 -6.360 1.00 85.44 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 1.265 -7.411 -5.122 1.00 85.97 12 A 1 ATOM 95 N N . PRO A 1 13 ? 2.191 -2.557 -3.234 1.00 95.53 13 A 1 ATOM 96 C CA . PRO A 1 13 ? 3.190 -1.484 -3.124 1.00 95.32 13 A 1 ATOM 97 C C . PRO A 1 13 ? 3.764 -1.373 -1.719 1.00 95.94 13 A 1 ATOM 98 O O . PRO A 1 13 ? 4.930 -1.027 -1.547 1.00 94.91 13 A 1 ATOM 99 C CB . PRO A 1 13 ? 2.405 -0.226 -3.513 1.00 93.96 13 A 1 ATOM 100 C CG . PRO A 1 13 ? 0.986 -0.556 -3.215 1.00 93.64 13 A 1 ATOM 101 C CD . PRO A 1 13 ? 0.856 -2.031 -3.521 1.00 95.87 13 A 1 ATOM 102 N N . VAL A 1 14 ? 2.957 -1.660 -0.715 1.00 96.35 14 A 1 ATOM 103 C CA . VAL A 1 14 ? 3.406 -1.596 0.676 1.00 96.08 14 A 1 ATOM 104 C C . VAL A 1 14 ? 4.489 -2.642 0.937 1.00 96.60 14 A 1 ATOM 105 O O . VAL A 1 14 ? 5.436 -2.398 1.683 1.00 95.76 14 A 1 ATOM 106 C CB . VAL A 1 14 ? 2.221 -1.807 1.634 1.00 95.25 14 A 1 ATOM 107 C CG1 . VAL A 1 14 ? 2.704 -1.923 3.072 1.00 92.85 14 A 1 ATOM 108 C CG2 . VAL A 1 14 ? 1.243 -0.653 1.517 1.00 92.81 14 A 1 ATOM 109 N N . MET A 1 15 ? 4.347 -3.791 0.332 1.00 95.26 15 A 1 ATOM 110 C CA . MET A 1 15 ? 5.330 -4.863 0.493 1.00 94.65 15 A 1 ATOM 111 C C . MET A 1 15 ? 6.687 -4.437 -0.057 1.00 95.26 15 A 1 ATOM 112 O O . MET A 1 15 ? 7.723 -4.703 0.547 1.00 94.30 15 A 1 ATOM 113 C CB . MET A 1 15 ? 4.848 -6.126 -0.222 1.00 93.86 15 A 1 ATOM 114 C CG . MET A 1 15 ? 3.918 -6.953 0.644 1.00 91.34 15 A 1 ATOM 115 S SD . MET A 1 15 ? 4.795 -7.883 1.901 1.00 83.69 15 A 1 ATOM 116 C CE . MET A 1 15 ? 5.558 -9.159 0.904 1.00 76.91 15 A 1 ATOM 117 N N . LEU A 1 16 ? 6.676 -3.777 -1.194 1.00 95.68 16 A 1 ATOM 118 C CA . LEU A 1 16 ? 7.904 -3.305 -1.823 1.00 95.90 16 A 1 ATOM 119 C C . LEU A 1 16 ? 8.546 -2.203 -0.991 1.00 96.52 16 A 1 ATOM 120 O O . LEU A 1 16 ? 9.765 -2.176 -0.819 1.00 96.28 16 A 1 ATOM 121 C CB . LEU A 1 16 ? 7.601 -2.793 -3.231 1.00 95.57 16 A 1 ATOM 122 C CG . LEU A 1 16 ? 7.160 -3.885 -4.202 1.00 90.21 16 A 1 ATOM 123 C CD1 . LEU A 1 16 ? 6.589 -3.261 -5.465 1.00 87.08 16 A 1 ATOM 124 C CD2 . LEU A 1 16 ? 8.334 -4.790 -4.549 1.00 88.29 16 A 1 ATOM 125 N N . MET A 1 17 ? 7.732 -1.300 -0.484 1.00 96.01 17 A 1 ATOM 126 C CA . MET A 1 17 ? 8.222 -0.198 0.344 1.00 95.49 17 A 1 ATOM 127 C C . MET A 1 17 ? 8.817 -0.725 1.644 1.00 95.92 17 A 1 ATOM 128 O O . MET A 1 17 ? 9.840 -0.236 2.111 1.00 95.20 17 A 1 ATOM 129 C CB . MET A 1 17 ? 7.082 0.772 0.637 1.00 94.19 17 A 1 ATOM 130 C CG . MET A 1 17 ? 6.829 1.715 -0.521 1.00 90.04 17 A 1 ATOM 131 S SD . MET A 1 17 ? 8.094 2.975 -0.643 1.00 81.80 17 A 1 ATOM 132 C CE . MET A 1 17 ? 7.560 4.097 0.647 1.00 73.46 17 A 1 ATOM 133 N N . SER A 1 18 ? 8.193 -1.723 2.208 1.00 96.60 18 A 1 ATOM 134 C CA . SER A 1 18 ? 8.663 -2.320 3.456 1.00 96.71 18 A 1 ATOM 135 C C . SER A 1 18 ? 10.031 -2.972 3.272 1.00 96.95 18 A 1 ATOM 136 O O . SER A 1 18 ? 10.871 -2.941 4.166 1.00 95.97 18 A 1 ATOM 137 C CB . SER A 1 18 ? 7.655 -3.361 3.939 1.00 95.87 18 A 1 ATOM 138 O OG . SER A 1 18 ? 8.020 -3.857 5.195 1.00 87.50 18 A 1 ATOM 139 N N . MET A 1 19 ? 10.261 -3.557 2.111 1.00 97.00 19 A 1 ATOM 140 C CA . MET A 1 19 ? 11.530 -4.212 1.808 1.00 96.66 19 A 1 ATOM 141 C C . MET A 1 19 ? 12.670 -3.195 1.735 1.00 96.87 19 A 1 ATOM 142 O O . MET A 1 19 ? 13.747 -3.417 2.281 1.00 95.68 19 A 1 ATOM 143 C CB . MET A 1 19 ? 11.422 -4.967 0.484 1.00 95.92 19 A 1 ATOM 144 C CG . MET A 1 19 ? 12.599 -5.888 0.249 1.00 91.75 19 A 1 ATOM 145 S SD . MET A 1 19 ? 12.588 -6.649 -1.378 1.00 84.42 19 A 1 ATOM 146 C CE . MET A 1 19 ? 11.123 -7.649 -1.258 1.00 77.45 19 A 1 ATOM 147 N N . VAL A 1 20 ? 12.426 -2.092 1.046 1.00 96.89 20 A 1 ATOM 148 C CA . VAL A 1 20 ? 13.434 -1.042 0.894 1.00 96.94 20 A 1 ATOM 149 C C . VAL A 1 20 ? 13.518 -0.169 2.140 1.00 97.04 20 A 1 ATOM 150 O O . VAL A 1 20 ? 14.606 0.244 2.551 1.00 96.40 20 A 1 ATOM 151 C CB . VAL A 1 20 ? 13.119 -0.165 -0.328 1.00 96.18 20 A 1 ATOM 152 C CG1 . VAL A 1 20 ? 14.191 0.897 -0.502 1.00 93.03 20 A 1 ATOM 153 C CG2 . VAL A 1 20 ? 13.006 -1.018 -1.578 1.00 92.81 20 A 1 ATOM 154 N N . PHE A 1 21 ? 12.382 0.104 2.729 1.00 96.62 21 A 1 ATOM 155 C CA . PHE A 1 21 ? 12.312 0.941 3.925 1.00 95.94 21 A 1 ATOM 156 C C . PHE A 1 21 ? 12.704 0.161 5.178 1.00 96.02 21 A 1 ATOM 157 O O . PHE A 1 21 ? 12.937 0.744 6.235 1.00 95.15 21 A 1 ATOM 158 C CB . PHE A 1 21 ? 10.895 1.498 4.085 1.00 94.96 21 A 1 ATOM 159 C CG . PHE A 1 21 ? 10.813 2.602 5.096 1.00 92.20 21 A 1 ATOM 160 C CD1 . PHE A 1 21 ? 11.303 3.863 4.803 1.00 89.05 21 A 1 ATOM 161 C CD2 . PHE A 1 21 ? 10.256 2.369 6.343 1.00 89.20 21 A 1 ATOM 162 C CE1 . PHE A 1 21 ? 11.233 4.889 5.733 1.00 88.92 21 A 1 ATOM 163 C CE2 . PHE A 1 21 ? 10.184 3.391 7.287 1.00 88.68 21 A 1 ATOM 164 C CZ . PHE A 1 21 ? 10.673 4.650 6.979 1.00 89.21 21 A 1 ATOM 165 N N . SER A 1 22 ? 12.791 -1.142 5.059 1.00 93.20 22 A 1 ATOM 166 C CA . SER A 1 22 ? 13.140 -1.988 6.195 1.00 91.44 22 A 1 ATOM 167 C C . SER A 1 22 ? 14.501 -1.587 6.773 1.00 86.18 22 A 1 ATOM 168 O O . SER A 1 22 ? 15.491 -1.609 6.041 1.00 80.02 22 A 1 ATOM 169 C CB . SER A 1 22 ? 13.160 -3.454 5.792 1.00 87.67 22 A 1 ATOM 170 O OG . SER A 1 22 ? 13.391 -4.277 6.918 1.00 78.62 22 A 1 ATOM 171 O OXT . SER A 1 22 ? 14.581 -1.251 7.949 1.00 79.46 22 A 1 #