# 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_spkb22265 # _entry.id spkb22265 # 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 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" "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" "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 PHE 2 1 n LYS 3 1 n PHE 4 1 n GLY 5 1 n LYS 6 1 n LYS 7 1 n LEU 8 1 n MET 9 1 n THR 10 1 n VAL 11 1 n VAL 12 1 n LEU 13 1 n ALA 14 1 n ALA 15 1 n SER 16 1 n MET 17 1 n SER 18 1 n PHE 19 1 n GLY 20 1 n VAL 21 1 n PHE 22 1 n ALA 23 # _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 @ 2025-07-09 06:10:03)" _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 87.90 _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 76.59 1 1 A PHE 2 2 75.83 1 2 A LYS 3 2 81.29 1 3 A PHE 4 2 82.75 1 4 A GLY 5 2 93.98 1 5 A LYS 6 2 86.53 1 6 A LYS 7 2 87.84 1 7 A LEU 8 2 90.29 1 8 A MET 9 2 87.58 1 9 A THR 10 2 92.72 1 10 A VAL 11 2 94.71 1 11 A VAL 12 2 95.13 1 12 A LEU 13 2 91.56 1 13 A ALA 14 2 95.76 1 14 A ALA 15 2 95.67 1 15 A SER 16 2 93.19 1 16 A MET 17 2 89.82 1 17 A SER 18 2 94.36 1 18 A PHE 19 2 89.92 1 19 A GLY 20 2 94.43 1 20 A VAL 21 2 90.35 1 21 A PHE 22 2 84.58 1 22 A ALA 23 2 80.64 1 23 # _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 PHE . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n MET . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n MET . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n PHE . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -0.624 -4.385 17.941 1.00 82.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.045 -3.162 18.529 1.00 86.00 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.115 -2.080 17.461 1.00 85.83 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.569 -1.062 17.492 1.00 79.35 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.321 -3.471 19.147 1.00 77.81 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.210 -4.412 20.347 1.00 72.39 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.657 -3.537 21.806 1.00 67.04 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.419 -4.909 22.925 1.00 61.70 1 A 1 ATOM 9 N N . PHE A 1 2 ? 1.033 -2.299 16.527 1.00 83.37 2 A 1 ATOM 10 C CA . PHE A 1 2 ? 1.276 -1.323 15.463 1.00 86.03 2 A 1 ATOM 11 C C . PHE A 1 2 ? 0.715 -1.828 14.140 1.00 89.36 2 A 1 ATOM 12 O O . PHE A 1 2 ? 1.314 -2.681 13.488 1.00 86.17 2 A 1 ATOM 13 C CB . PHE A 1 2 ? 2.773 -1.072 15.324 1.00 81.02 2 A 1 ATOM 14 C CG . PHE A 1 2 ? 3.409 -0.597 16.606 1.00 74.75 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? 3.298 0.727 16.998 1.00 72.62 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? 4.106 -1.482 17.415 1.00 69.47 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? 3.878 1.169 18.178 1.00 64.04 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? 4.689 -1.049 18.602 1.00 65.62 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? 4.573 0.280 18.983 1.00 61.73 2 A 1 ATOM 20 N N . LYS A 1 3 ? -0.418 -1.284 13.732 1.00 87.57 3 A 1 ATOM 21 C CA . LYS A 1 3 ? -1.071 -1.691 12.482 1.00 90.24 3 A 1 ATOM 22 C C . LYS A 1 3 ? -0.569 -0.850 11.307 1.00 92.06 3 A 1 ATOM 23 O O . LYS A 1 3 ? -1.349 -0.471 10.426 1.00 89.84 3 A 1 ATOM 24 C CB . LYS A 1 3 ? -2.588 -1.566 12.642 1.00 86.46 3 A 1 ATOM 25 C CG . LYS A 1 3 ? -3.140 -2.555 13.657 1.00 78.70 3 A 1 ATOM 26 C CD . LYS A 1 3 ? -4.657 -2.583 13.626 1.00 76.55 3 A 1 ATOM 27 C CE . LYS A 1 3 ? -5.259 -1.636 14.639 1.00 68.12 3 A 1 ATOM 28 N NZ . LYS A 1 3 ? -6.717 -1.908 14.823 1.00 62.11 3 A 1 ATOM 29 N N . PHE A 1 4 ? 0.721 -0.551 11.295 1.00 88.28 4 A 1 ATOM 30 C CA . PHE A 1 4 ? 1.313 0.246 10.221 1.00 90.09 4 A 1 ATOM 31 C C . PHE A 1 4 ? 1.475 -0.579 8.952 1.00 92.81 4 A 1 ATOM 32 O O . PHE A 1 4 ? 1.313 -0.063 7.845 1.00 90.51 4 A 1 ATOM 33 C CB . PHE A 1 4 ? 2.668 0.795 10.667 1.00 87.89 4 A 1 ATOM 34 C CG . PHE A 1 4 ? 2.551 2.130 11.365 1.00 82.29 4 A 1 ATOM 35 C CD1 . PHE A 1 4 ? 2.348 3.287 10.633 1.00 79.25 4 A 1 ATOM 36 C CD2 . PHE A 1 4 ? 2.645 2.215 12.744 1.00 78.33 4 A 1 ATOM 37 C CE1 . PHE A 1 4 ? 2.238 4.519 11.264 1.00 74.64 4 A 1 ATOM 38 C CE2 . PHE A 1 4 ? 2.532 3.442 13.387 1.00 74.98 4 A 1 ATOM 39 C CZ . PHE A 1 4 ? 2.330 4.598 12.645 1.00 71.17 4 A 1 ATOM 40 N N . GLY A 1 5 ? 1.797 -1.858 9.103 1.00 92.92 5 A 1 ATOM 41 C CA . GLY A 1 5 ? 1.967 -2.741 7.951 1.00 93.65 5 A 1 ATOM 42 C C . GLY A 1 5 ? 0.705 -2.840 7.120 1.00 95.03 5 A 1 ATOM 43 O O . GLY A 1 5 ? 0.740 -2.755 5.891 1.00 94.30 5 A 1 ATOM 44 N N . LYS A 1 6 ? -0.425 -3.000 7.789 1.00 95.02 6 A 1 ATOM 45 C CA . LYS A 1 6 ? -1.718 -3.089 7.106 1.00 95.11 6 A 1 ATOM 46 C C . LYS A 1 6 ? -2.073 -1.755 6.450 1.00 95.48 6 A 1 ATOM 47 O O . LYS A 1 6 ? -2.576 -1.722 5.327 1.00 94.46 6 A 1 ATOM 48 C CB . LYS A 1 6 ? -2.794 -3.514 8.113 1.00 93.65 6 A 1 ATOM 49 C CG . LYS A 1 6 ? -4.167 -3.663 7.473 1.00 84.59 6 A 1 ATOM 50 C CD . LYS A 1 6 ? -5.126 -2.616 8.018 1.00 80.85 6 A 1 ATOM 51 C CE . LYS A 1 6 ? -6.478 -2.690 7.337 1.00 73.09 6 A 1 ATOM 52 N NZ . LYS A 1 6 ? -7.399 -1.652 7.873 1.00 66.55 6 A 1 ATOM 53 N N . LYS A 1 7 ? -1.803 -0.664 7.150 1.00 95.19 7 A 1 ATOM 54 C CA . LYS A 1 7 ? -2.090 0.677 6.632 1.00 95.59 7 A 1 ATOM 55 C C . LYS A 1 7 ? -1.233 0.968 5.403 1.00 96.02 7 A 1 ATOM 56 O O . LYS A 1 7 ? -1.726 1.502 4.410 1.00 94.87 7 A 1 ATOM 57 C CB . LYS A 1 7 ? -1.838 1.713 7.729 1.00 94.93 7 A 1 ATOM 58 C CG . LYS A 1 7 ? -2.561 3.021 7.462 1.00 86.65 7 A 1 ATOM 59 C CD . LYS A 1 7 ? -2.392 3.987 8.624 1.00 82.19 7 A 1 ATOM 60 C CE . LYS A 1 7 ? -3.105 5.305 8.341 1.00 75.73 7 A 1 ATOM 61 N NZ . LYS A 1 7 ? -3.005 6.228 9.506 1.00 69.43 7 A 1 ATOM 62 N N . LEU A 1 8 ? 0.046 0.606 5.465 1.00 94.46 8 A 1 ATOM 63 C CA . LEU A 1 8 ? 0.962 0.813 4.348 1.00 94.61 8 A 1 ATOM 64 C C . LEU A 1 8 ? 0.517 0.013 3.127 1.00 95.32 8 A 1 ATOM 65 O O . LEU A 1 8 ? 0.532 0.515 2.005 1.00 94.65 8 A 1 ATOM 66 C CB . LEU A 1 8 ? 2.382 0.407 4.753 1.00 93.92 8 A 1 ATOM 67 C CG . LEU A 1 8 ? 3.385 1.552 4.661 1.00 86.73 8 A 1 ATOM 68 C CD1 . LEU A 1 8 ? 3.560 2.226 6.013 1.00 81.89 8 A 1 ATOM 69 C CD2 . LEU A 1 8 ? 4.721 1.041 4.151 1.00 80.77 8 A 1 ATOM 70 N N . MET A 1 9 ? 0.114 -1.223 3.359 1.00 95.03 9 A 1 ATOM 71 C CA . MET A 1 9 ? -0.350 -2.092 2.277 1.00 94.64 9 A 1 ATOM 72 C C . MET A 1 9 ? -1.586 -1.508 1.595 1.00 95.00 9 A 1 ATOM 73 O O . MET A 1 9 ? -1.710 -1.552 0.371 1.00 93.46 9 A 1 ATOM 74 C CB . MET A 1 9 ? -0.670 -3.476 2.842 1.00 93.52 9 A 1 ATOM 75 C CG . MET A 1 9 ? 0.415 -4.472 2.501 1.00 84.27 9 A 1 ATOM 76 S SD . MET A 1 9 ? 0.103 -5.294 0.941 1.00 76.57 9 A 1 ATOM 77 C CE . MET A 1 9 ? 1.535 -4.791 0.008 1.00 68.11 9 A 1 ATOM 78 N N . THR A 1 10 ? -2.479 -0.949 2.384 1.00 95.45 10 A 1 ATOM 79 C CA . THR A 1 10 ? -3.703 -0.345 1.855 1.00 95.43 10 A 1 ATOM 80 C C . THR A 1 10 ? -3.371 0.857 0.972 1.00 95.91 10 A 1 ATOM 81 O O . THR A 1 10 ? -3.975 1.041 -0.089 1.00 94.99 10 A 1 ATOM 82 C CB . THR A 1 10 ? -4.619 0.098 3.003 1.00 94.79 10 A 1 ATOM 83 O OG1 . THR A 1 10 ? -4.861 -1.004 3.868 1.00 87.32 10 A 1 ATOM 84 C CG2 . THR A 1 10 ? -5.959 0.586 2.476 1.00 85.16 10 A 1 ATOM 85 N N . VAL A 1 11 ? -2.416 1.663 1.396 1.00 95.81 11 A 1 ATOM 86 C CA . VAL A 1 11 ? -2.003 2.843 0.633 1.00 95.78 11 A 1 ATOM 87 C C . VAL A 1 11 ? -1.381 2.426 -0.696 1.00 96.10 11 A 1 ATOM 88 O O . VAL A 1 11 ? -1.665 3.018 -1.740 1.00 95.57 11 A 1 ATOM 89 C CB . VAL A 1 11 ? -1.007 3.697 1.441 1.00 95.34 11 A 1 ATOM 90 C CG1 . VAL A 1 11 ? -0.505 4.873 0.612 1.00 92.35 11 A 1 ATOM 91 C CG2 . VAL A 1 11 ? -1.665 4.210 2.713 1.00 92.05 11 A 1 ATOM 92 N N . VAL A 1 12 ? -0.536 1.411 -0.655 1.00 96.39 12 A 1 ATOM 93 C CA . VAL A 1 12 ? 0.124 0.912 -1.865 1.00 96.05 12 A 1 ATOM 94 C C . VAL A 1 12 ? -0.908 0.360 -2.843 1.00 96.20 12 A 1 ATOM 95 O O . VAL A 1 12 ? -0.812 0.583 -4.053 1.00 95.86 12 A 1 ATOM 96 C CB . VAL A 1 12 ? 1.156 -0.174 -1.510 1.00 95.46 12 A 1 ATOM 97 C CG1 . VAL A 1 12 ? 1.762 -0.774 -2.771 1.00 93.17 12 A 1 ATOM 98 C CG2 . VAL A 1 12 ? 2.256 0.409 -0.639 1.00 92.78 12 A 1 ATOM 99 N N . LEU A 1 13 ? -1.888 -0.354 -2.324 1.00 95.41 13 A 1 ATOM 100 C CA . LEU A 1 13 ? -2.945 -0.931 -3.153 1.00 94.73 13 A 1 ATOM 101 C C . LEU A 1 13 ? -3.764 0.165 -3.828 1.00 95.52 13 A 1 ATOM 102 O O . LEU A 1 13 ? -4.081 0.078 -5.018 1.00 95.74 13 A 1 ATOM 103 C CB . LEU A 1 13 ? -3.846 -1.816 -2.287 1.00 94.22 13 A 1 ATOM 104 C CG . LEU A 1 13 ? -3.943 -3.253 -2.796 1.00 87.33 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? -3.640 -4.231 -1.673 1.00 84.14 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? -5.319 -3.523 -3.369 1.00 85.40 13 A 1 ATOM 107 N N . ALA A 1 14 ? -4.096 1.197 -3.064 1.00 95.97 14 A 1 ATOM 108 C CA . ALA A 1 14 ? -4.867 2.322 -3.591 1.00 95.84 14 A 1 ATOM 109 C C . ALA A 1 14 ? -4.086 3.049 -4.683 1.00 96.21 14 A 1 ATOM 110 O O . ALA A 1 14 ? -4.651 3.437 -5.709 1.00 95.39 14 A 1 ATOM 111 C CB . ALA A 1 14 ? -5.215 3.281 -2.457 1.00 95.40 14 A 1 ATOM 112 N N . ALA A 1 15 ? -2.785 3.228 -4.467 1.00 96.32 15 A 1 ATOM 113 C CA . ALA A 1 15 ? -1.929 3.897 -5.446 1.00 95.86 15 A 1 ATOM 114 C C . ALA A 1 15 ? -1.828 3.076 -6.728 1.00 96.02 15 A 1 ATOM 115 O O . ALA A 1 15 ? -1.840 3.626 -7.831 1.00 94.76 15 A 1 ATOM 116 C CB . ALA A 1 15 ? -0.545 4.121 -4.846 1.00 95.39 15 A 1 ATOM 117 N N . SER A 1 16 ? -1.736 1.759 -6.589 1.00 96.18 16 A 1 ATOM 118 C CA . SER A 1 16 ? -1.647 0.854 -7.736 1.00 95.51 16 A 1 ATOM 119 C C . SER A 1 16 ? -2.900 0.951 -8.604 1.00 95.56 16 A 1 ATOM 120 O O . SER A 1 16 ? -2.823 0.957 -9.831 1.00 94.15 16 A 1 ATOM 121 C CB . SER A 1 16 ? -1.451 -0.579 -7.246 1.00 94.42 16 A 1 ATOM 122 O OG . SER A 1 16 ? -1.142 -1.428 -8.316 1.00 83.33 16 A 1 ATOM 123 N N . MET A 1 17 ? -4.055 1.029 -7.966 1.00 95.83 17 A 1 ATOM 124 C CA . MET A 1 17 ? -5.331 1.147 -8.677 1.00 95.41 17 A 1 ATOM 125 C C . MET A 1 17 ? -5.456 2.501 -9.372 1.00 95.93 17 A 1 ATOM 126 O O . MET A 1 17 ? -5.953 2.585 -10.494 1.00 94.30 17 A 1 ATOM 127 C CB . MET A 1 17 ? -6.487 0.963 -7.686 1.00 94.30 17 A 1 ATOM 128 C CG . MET A 1 17 ? -7.215 -0.345 -7.923 1.00 89.73 17 A 1 ATOM 129 S SD . MET A 1 17 ? -8.932 -0.061 -8.326 1.00 80.46 17 A 1 ATOM 130 C CE . MET A 1 17 ? -9.306 -1.577 -9.203 1.00 72.60 17 A 1 ATOM 131 N N . SER A 1 18 ? -5.009 3.548 -8.704 1.00 96.67 18 A 1 ATOM 132 C CA . SER A 1 18 ? -5.081 4.903 -9.246 1.00 96.58 18 A 1 ATOM 133 C C . SER A 1 18 ? -4.139 5.085 -10.437 1.00 96.62 18 A 1 ATOM 134 O O . SER A 1 18 ? -4.507 5.686 -11.445 1.00 95.08 18 A 1 ATOM 135 C CB . SER A 1 18 ? -4.743 5.917 -8.155 1.00 95.38 18 A 1 ATOM 136 O OG . SER A 1 18 ? -5.147 7.205 -8.542 1.00 85.82 18 A 1 ATOM 137 N N . PHE A 1 19 ? -2.920 4.558 -10.317 1.00 95.37 19 A 1 ATOM 138 C CA . PHE A 1 19 ? -1.928 4.687 -11.386 1.00 95.36 19 A 1 ATOM 139 C C . PHE A 1 19 ? -2.120 3.641 -12.479 1.00 96.22 19 A 1 ATOM 140 O O . PHE A 1 19 ? -1.609 3.800 -13.589 1.00 94.36 19 A 1 ATOM 141 C CB . PHE A 1 19 ? -0.517 4.588 -10.802 1.00 93.99 19 A 1 ATOM 142 C CG . PHE A 1 19 ? 0.033 5.922 -10.370 1.00 90.24 19 A 1 ATOM 143 C CD1 . PHE A 1 19 ? -0.347 6.496 -9.166 1.00 86.41 19 A 1 ATOM 144 C CD2 . PHE A 1 19 ? 0.928 6.605 -11.182 1.00 86.13 19 A 1 ATOM 145 C CE1 . PHE A 1 19 ? 0.155 7.730 -8.778 1.00 84.47 19 A 1 ATOM 146 C CE2 . PHE A 1 19 ? 1.441 7.838 -10.796 1.00 83.38 19 A 1 ATOM 147 C CZ . PHE A 1 19 ? 1.049 8.400 -9.589 1.00 83.15 19 A 1 ATOM 148 N N . GLY A 1 20 ? -2.864 2.583 -12.181 1.00 94.73 20 A 1 ATOM 149 C CA . GLY A 1 20 ? -3.101 1.526 -13.160 1.00 94.42 20 A 1 ATOM 150 C C . GLY A 1 20 ? -1.966 0.524 -13.215 1.00 95.06 20 A 1 ATOM 151 O O . GLY A 1 20 ? -1.745 -0.114 -14.240 1.00 93.51 20 A 1 ATOM 152 N N . VAL A 1 21 ? -1.248 0.391 -12.115 1.00 92.13 21 A 1 ATOM 153 C CA . VAL A 1 21 ? -0.124 -0.556 -12.036 1.00 92.72 21 A 1 ATOM 154 C C . VAL A 1 21 ? -0.637 -1.994 -11.991 1.00 93.81 21 A 1 ATOM 155 O O . VAL A 1 21 ? 0.085 -2.936 -12.320 1.00 91.97 21 A 1 ATOM 156 C CB . VAL A 1 21 ? 0.745 -0.262 -10.799 1.00 90.45 21 A 1 ATOM 157 C CG1 . VAL A 1 21 ? 1.953 -1.188 -10.750 1.00 85.42 21 A 1 ATOM 158 C CG2 . VAL A 1 21 ? 1.202 1.188 -10.805 1.00 85.93 21 A 1 ATOM 159 N N . PHE A 1 22 ? -1.888 -2.142 -11.582 1.00 87.04 22 A 1 ATOM 160 C CA . PHE A 1 22 ? -2.508 -3.466 -11.490 1.00 88.57 22 A 1 ATOM 161 C C . PHE A 1 22 ? -2.634 -4.114 -12.870 1.00 91.05 22 A 1 ATOM 162 O O . PHE A 1 22 ? -2.526 -5.329 -13.004 1.00 89.39 22 A 1 ATOM 163 C CB . PHE A 1 22 ? -3.884 -3.337 -10.834 1.00 86.43 22 A 1 ATOM 164 C CG . PHE A 1 22 ? -4.487 -4.665 -10.464 1.00 84.80 22 A 1 ATOM 165 C CD1 . PHE A 1 22 ? -3.787 -5.565 -9.674 1.00 82.29 22 A 1 ATOM 166 C CD2 . PHE A 1 22 ? -5.764 -5.005 -10.896 1.00 81.64 22 A 1 ATOM 167 C CE1 . PHE A 1 22 ? -4.347 -6.793 -9.326 1.00 80.59 22 A 1 ATOM 168 C CE2 . PHE A 1 22 ? -6.331 -6.232 -10.547 1.00 79.06 22 A 1 ATOM 169 C CZ . PHE A 1 22 ? -5.617 -7.127 -9.762 1.00 79.48 22 A 1 ATOM 170 N N . ALA A 1 23 ? -2.857 -3.305 -13.908 1.00 86.72 23 A 1 ATOM 171 C CA . ALA A 1 23 ? -3.007 -3.813 -15.274 1.00 85.57 23 A 1 ATOM 172 C C . ALA A 1 23 ? -2.625 -2.732 -16.289 1.00 82.38 23 A 1 ATOM 173 O O . ALA A 1 23 ? -3.444 -1.860 -16.585 1.00 77.08 23 A 1 ATOM 174 C CB . ALA A 1 23 ? -4.436 -4.274 -15.498 1.00 79.42 23 A 1 ATOM 175 O OXT . ALA A 1 23 ? -1.499 -2.770 -16.799 1.00 72.65 23 A 1 #