# 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_spkb19003 # _entry.id spkb19003 # 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 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "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 SER 2 1 n ARG 3 1 n ILE 4 1 n ASN 5 1 n LYS 6 1 n PHE 7 1 n VAL 8 1 n LEU 9 1 n THR 10 1 n VAL 11 1 n SER 12 1 n LEU 13 1 n LEU 14 1 n ILE 15 1 n PHE 16 1 n ILE 17 1 n MET 18 1 n ILE 19 1 n SER 20 1 n ALA 21 1 n VAL 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 @ 2025-07-04 16:52:23)" _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 94.32 _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 81.21 1 1 A SER 2 2 91.37 1 2 A ARG 3 2 85.76 1 3 A ILE 4 2 94.90 1 4 A ASN 5 2 93.83 1 5 A LYS 6 2 92.33 1 6 A PHE 7 2 96.78 1 7 A VAL 8 2 97.83 1 8 A LEU 9 2 95.97 1 9 A THR 10 2 96.62 1 10 A VAL 11 2 97.90 1 11 A SER 12 2 97.36 1 12 A LEU 13 2 96.61 1 13 A LEU 14 2 96.15 1 14 A ILE 15 2 97.22 1 15 A PHE 16 2 96.11 1 16 A ILE 17 2 97.57 1 17 A MET 18 2 94.13 1 18 A ILE 19 2 97.34 1 19 A SER 20 2 96.52 1 20 A ALA 21 2 97.72 1 21 A VAL 22 2 93.92 1 22 A ALA 23 2 87.36 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 SER . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n VAL . 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 ILE . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n VAL . 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 ? 4.244 -0.633 15.499 1.00 87.83 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.511 -1.897 15.698 1.00 89.86 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.244 -1.891 14.850 1.00 89.80 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.284 -2.218 13.668 1.00 85.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.155 -2.076 17.175 1.00 84.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.385 -2.090 18.079 1.00 77.02 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.930 -2.128 19.810 1.00 71.42 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.545 -2.097 20.567 1.00 64.76 1 A 1 ATOM 9 N N . SER A 1 2 ? 1.159 -1.514 15.467 1.00 91.89 2 A 1 ATOM 10 C CA . SER A 1 2 ? -0.117 -1.459 14.754 1.00 94.52 2 A 1 ATOM 11 C C . SER A 1 2 ? -0.082 -0.422 13.635 1.00 95.78 2 A 1 ATOM 12 O O . SER A 1 2 ? -0.708 -0.583 12.588 1.00 93.80 2 A 1 ATOM 13 C CB . SER A 1 2 ? -1.238 -1.132 15.738 1.00 91.37 2 A 1 ATOM 14 O OG . SER A 1 2 ? -2.494 -1.399 15.169 1.00 80.84 2 A 1 ATOM 15 N N . ARG A 1 3 ? 0.668 0.628 13.865 1.00 95.47 3 A 1 ATOM 16 C CA . ARG A 1 3 ? 0.807 1.689 12.862 1.00 96.55 3 A 1 ATOM 17 C C . ARG A 1 3 ? 1.486 1.159 11.607 1.00 97.35 3 A 1 ATOM 18 O O . ARG A 1 3 ? 1.145 1.550 10.492 1.00 96.20 3 A 1 ATOM 19 C CB . ARG A 1 3 ? 1.621 2.852 13.437 1.00 95.03 3 A 1 ATOM 20 C CG . ARG A 1 3 ? 0.843 3.613 14.500 1.00 86.64 3 A 1 ATOM 21 C CD . ARG A 1 3 ? 1.633 4.812 14.985 1.00 85.40 3 A 1 ATOM 22 N NE . ARG A 1 3 ? 0.855 5.597 15.949 1.00 79.41 3 A 1 ATOM 23 C CZ . ARG A 1 3 ? 1.312 6.689 16.545 1.00 74.90 3 A 1 ATOM 24 N NH1 . ARG A 1 3 ? 2.537 7.131 16.293 1.00 70.57 3 A 1 ATOM 25 N NH2 . ARG A 1 3 ? 0.546 7.346 17.395 1.00 65.84 3 A 1 ATOM 26 N N . ILE A 1 4 ? 2.438 0.281 11.786 1.00 96.98 4 A 1 ATOM 27 C CA . ILE A 1 4 ? 3.145 -0.309 10.657 1.00 97.34 4 A 1 ATOM 28 C C . ILE A 1 4 ? 2.176 -1.104 9.791 1.00 97.54 4 A 1 ATOM 29 O O . ILE A 1 4 ? 2.212 -1.023 8.561 1.00 97.13 4 A 1 ATOM 30 C CB . ILE A 1 4 ? 4.290 -1.210 11.140 1.00 96.94 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? 5.326 -0.377 11.898 1.00 93.49 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? 4.940 -1.914 9.954 1.00 92.20 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? 6.316 -1.220 12.668 1.00 87.58 4 A 1 ATOM 34 N N . ASN A 1 5 ? 1.323 -1.869 10.437 1.00 97.75 5 A 1 ATOM 35 C CA . ASN A 1 5 ? 0.323 -2.651 9.717 1.00 97.89 5 A 1 ATOM 36 C C . ASN A 1 5 ? -0.598 -1.732 8.927 1.00 98.05 5 A 1 ATOM 37 O O . ASN A 1 5 ? -0.966 -2.030 7.789 1.00 97.94 5 A 1 ATOM 38 C CB . ASN A 1 5 ? -0.498 -3.492 10.697 1.00 97.33 5 A 1 ATOM 39 C CG . ASN A 1 5 ? 0.206 -4.782 11.056 1.00 92.09 5 A 1 ATOM 40 O OD1 . ASN A 1 5 ? 1.417 -4.821 11.177 1.00 84.53 5 A 1 ATOM 41 N ND2 . ASN A 1 5 ? -0.554 -5.849 11.227 1.00 85.02 5 A 1 ATOM 42 N N . LYS A 1 6 ? -0.963 -0.625 9.537 1.00 97.94 6 A 1 ATOM 43 C CA . LYS A 1 6 ? -1.821 0.356 8.882 1.00 98.15 6 A 1 ATOM 44 C C . LYS A 1 6 ? -1.115 0.938 7.666 1.00 98.30 6 A 1 ATOM 45 O O . LYS A 1 6 ? -1.730 1.143 6.619 1.00 98.12 6 A 1 ATOM 46 C CB . LYS A 1 6 ? -2.177 1.462 9.870 1.00 97.85 6 A 1 ATOM 47 C CG . LYS A 1 6 ? -3.097 2.511 9.274 1.00 93.13 6 A 1 ATOM 48 C CD . LYS A 1 6 ? -4.491 1.962 9.054 1.00 89.35 6 A 1 ATOM 49 C CE . LYS A 1 6 ? -5.403 3.026 8.476 1.00 82.69 6 A 1 ATOM 50 N NZ . LYS A 1 6 ? -6.814 2.575 8.453 1.00 75.47 6 A 1 ATOM 51 N N . PHE A 1 7 ? 0.177 1.204 7.811 1.00 98.18 7 A 1 ATOM 52 C CA . PHE A 1 7 ? 0.976 1.748 6.723 1.00 98.39 7 A 1 ATOM 53 C C . PHE A 1 7 ? 1.019 0.776 5.556 1.00 98.53 7 A 1 ATOM 54 O O . PHE A 1 7 ? 0.820 1.164 4.405 1.00 98.34 7 A 1 ATOM 55 C CB . PHE A 1 7 ? 2.394 2.036 7.213 1.00 98.28 7 A 1 ATOM 56 C CG . PHE A 1 7 ? 2.800 3.469 6.987 1.00 97.38 7 A 1 ATOM 57 C CD1 . PHE A 1 7 ? 2.418 4.457 7.879 1.00 95.51 7 A 1 ATOM 58 C CD2 . PHE A 1 7 ? 3.554 3.811 5.882 1.00 95.77 7 A 1 ATOM 59 C CE1 . PHE A 1 7 ? 2.783 5.775 7.674 1.00 94.45 7 A 1 ATOM 60 C CE2 . PHE A 1 7 ? 3.925 5.132 5.664 1.00 94.99 7 A 1 ATOM 61 C CZ . PHE A 1 7 ? 3.543 6.114 6.561 1.00 94.72 7 A 1 ATOM 62 N N . VAL A 1 8 ? 1.266 -0.481 5.863 1.00 98.41 8 A 1 ATOM 63 C CA . VAL A 1 8 ? 1.323 -1.520 4.840 1.00 98.51 8 A 1 ATOM 64 C C . VAL A 1 8 ? -0.020 -1.646 4.132 1.00 98.56 8 A 1 ATOM 65 O O . VAL A 1 8 ? -0.078 -1.812 2.912 1.00 98.40 8 A 1 ATOM 66 C CB . VAL A 1 8 ? 1.718 -2.868 5.457 1.00 98.29 8 A 1 ATOM 67 C CG1 . VAL A 1 8 ? 1.666 -3.973 4.416 1.00 96.45 8 A 1 ATOM 68 C CG2 . VAL A 1 8 ? 3.109 -2.777 6.059 1.00 96.21 8 A 1 ATOM 69 N N . LEU A 1 9 ? -1.077 -1.568 4.895 1.00 98.51 9 A 1 ATOM 70 C CA . LEU A 1 9 ? -2.423 -1.658 4.336 1.00 98.46 9 A 1 ATOM 71 C C . LEU A 1 9 ? -2.675 -0.521 3.354 1.00 98.56 9 A 1 ATOM 72 O O . LEU A 1 9 ? -3.197 -0.736 2.259 1.00 98.49 9 A 1 ATOM 73 C CB . LEU A 1 9 ? -3.457 -1.606 5.462 1.00 98.25 9 A 1 ATOM 74 C CG . LEU A 1 9 ? -4.891 -1.794 4.977 1.00 92.78 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? -5.135 -3.250 4.599 1.00 90.68 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? -5.877 -1.355 6.042 1.00 91.99 9 A 1 ATOM 77 N N . THR A 1 10 ? -2.301 0.683 3.745 1.00 98.29 10 A 1 ATOM 78 C CA . THR A 1 10 ? -2.493 1.857 2.900 1.00 98.36 10 A 1 ATOM 79 C C . THR A 1 10 ? -1.688 1.739 1.615 1.00 98.49 10 A 1 ATOM 80 O O . THR A 1 10 ? -2.192 2.022 0.524 1.00 98.28 10 A 1 ATOM 81 C CB . THR A 1 10 ? -2.080 3.128 3.645 1.00 98.04 10 A 1 ATOM 82 O OG1 . THR A 1 10 ? -2.780 3.206 4.883 1.00 93.11 10 A 1 ATOM 83 C CG2 . THR A 1 10 ? -2.401 4.362 2.821 1.00 91.79 10 A 1 ATOM 84 N N . VAL A 1 11 ? -0.445 1.319 1.741 1.00 98.61 11 A 1 ATOM 85 C CA . VAL A 1 11 ? 0.426 1.162 0.579 1.00 98.60 11 A 1 ATOM 86 C C . VAL A 1 11 ? -0.125 0.091 -0.354 1.00 98.66 11 A 1 ATOM 87 O O . VAL A 1 11 ? -0.160 0.274 -1.571 1.00 98.48 11 A 1 ATOM 88 C CB . VAL A 1 11 ? 1.854 0.806 1.013 1.00 98.40 11 A 1 ATOM 89 C CG1 . VAL A 1 11 ? 2.727 0.518 -0.200 1.00 96.43 11 A 1 ATOM 90 C CG2 . VAL A 1 11 ? 2.451 1.940 1.824 1.00 96.15 11 A 1 ATOM 91 N N . SER A 1 12 ? -0.547 -1.016 0.207 1.00 98.51 12 A 1 ATOM 92 C CA . SER A 1 12 ? -1.097 -2.113 -0.585 1.00 98.55 12 A 1 ATOM 93 C C . SER A 1 12 ? -2.334 -1.661 -1.355 1.00 98.66 12 A 1 ATOM 94 O O . SER A 1 12 ? -2.521 -2.025 -2.514 1.00 98.43 12 A 1 ATOM 95 C CB . SER A 1 12 ? -1.464 -3.284 0.321 1.00 98.25 12 A 1 ATOM 96 O OG . SER A 1 12 ? -0.305 -3.842 0.895 1.00 91.76 12 A 1 ATOM 97 N N . LEU A 1 13 ? -3.152 -0.868 -0.711 1.00 98.69 13 A 1 ATOM 98 C CA . LEU A 1 13 ? -4.358 -0.347 -1.349 1.00 98.67 13 A 1 ATOM 99 C C . LEU A 1 13 ? -3.996 0.545 -2.530 1.00 98.75 13 A 1 ATOM 100 O O . LEU A 1 13 ? -4.595 0.454 -3.604 1.00 98.65 13 A 1 ATOM 101 C CB . LEU A 1 13 ? -5.185 0.447 -0.336 1.00 98.52 13 A 1 ATOM 102 C CG . LEU A 1 13 ? -6.632 0.655 -0.781 1.00 94.55 13 A 1 ATOM 103 C CD1 . LEU A 1 13 ? -7.476 -0.561 -0.409 1.00 91.76 13 A 1 ATOM 104 C CD2 . LEU A 1 13 ? -7.218 1.905 -0.138 1.00 93.32 13 A 1 ATOM 105 N N . LEU A 1 14 ? -3.014 1.406 -2.325 1.00 98.59 14 A 1 ATOM 106 C CA . LEU A 1 14 ? -2.562 2.314 -3.375 1.00 98.56 14 A 1 ATOM 107 C C . LEU A 1 14 ? -2.011 1.536 -4.561 1.00 98.64 14 A 1 ATOM 108 O O . LEU A 1 14 ? -2.278 1.879 -5.716 1.00 98.54 14 A 1 ATOM 109 C CB . LEU A 1 14 ? -1.487 3.249 -2.812 1.00 98.35 14 A 1 ATOM 110 C CG . LEU A 1 14 ? -2.063 4.396 -1.985 1.00 92.95 14 A 1 ATOM 111 C CD1 . LEU A 1 14 ? -1.003 4.987 -1.065 1.00 90.84 14 A 1 ATOM 112 C CD2 . LEU A 1 14 ? -2.601 5.484 -2.907 1.00 92.76 14 A 1 ATOM 113 N N . ILE A 1 15 ? -1.244 0.500 -4.277 1.00 98.57 15 A 1 ATOM 114 C CA . ILE A 1 15 ? -0.665 -0.333 -5.325 1.00 98.54 15 A 1 ATOM 115 C C . ILE A 1 15 ? -1.770 -0.993 -6.142 1.00 98.61 15 A 1 ATOM 116 O O . ILE A 1 15 ? -1.718 -1.030 -7.373 1.00 98.41 15 A 1 ATOM 117 C CB . ILE A 1 15 ? 0.261 -1.401 -4.715 1.00 98.32 15 A 1 ATOM 118 C CG1 . ILE A 1 15 ? 1.474 -0.742 -4.031 1.00 96.76 15 A 1 ATOM 119 C CG2 . ILE A 1 15 ? 0.727 -2.379 -5.786 1.00 96.03 15 A 1 ATOM 120 C CD1 . ILE A 1 15 ? 2.396 -0.036 -5.003 1.00 92.51 15 A 1 ATOM 121 N N . PHE A 1 16 ? -2.755 -1.517 -5.456 1.00 98.64 16 A 1 ATOM 122 C CA . PHE A 1 16 ? -3.876 -2.174 -6.122 1.00 98.63 16 A 1 ATOM 123 C C . PHE A 1 16 ? -4.591 -1.208 -7.064 1.00 98.66 16 A 1 ATOM 124 O O . PHE A 1 16 ? -4.930 -1.558 -8.194 1.00 98.38 16 A 1 ATOM 125 C CB . PHE A 1 16 ? -4.852 -2.705 -5.077 1.00 98.41 16 A 1 ATOM 126 C CG . PHE A 1 16 ? -5.947 -3.534 -5.691 1.00 96.41 16 A 1 ATOM 127 C CD1 . PHE A 1 16 ? -5.684 -4.808 -6.165 1.00 93.71 16 A 1 ATOM 128 C CD2 . PHE A 1 16 ? -7.234 -3.025 -5.792 1.00 94.52 16 A 1 ATOM 129 C CE1 . PHE A 1 16 ? -6.695 -5.570 -6.733 1.00 92.90 16 A 1 ATOM 130 C CE2 . PHE A 1 16 ? -8.247 -3.785 -6.363 1.00 93.54 16 A 1 ATOM 131 C CZ . PHE A 1 16 ? -7.978 -5.058 -6.834 1.00 93.46 16 A 1 ATOM 132 N N . ILE A 1 17 ? -4.817 0.006 -6.591 1.00 98.66 17 A 1 ATOM 133 C CA . ILE A 1 17 ? -5.486 1.023 -7.399 1.00 98.58 17 A 1 ATOM 134 C C . ILE A 1 17 ? -4.630 1.399 -8.604 1.00 98.59 17 A 1 ATOM 135 O O . ILE A 1 17 ? -5.139 1.556 -9.716 1.00 98.35 17 A 1 ATOM 136 C CB . ILE A 1 17 ? -5.793 2.276 -6.554 1.00 98.38 17 A 1 ATOM 137 C CG1 . ILE A 1 17 ? -6.805 1.938 -5.457 1.00 97.13 17 A 1 ATOM 138 C CG2 . ILE A 1 17 ? -6.340 3.396 -7.445 1.00 96.36 17 A 1 ATOM 139 C CD1 . ILE A 1 17 ? -6.927 3.017 -4.398 1.00 94.49 17 A 1 ATOM 140 N N . MET A 1 18 ? -3.337 1.541 -8.375 1.00 98.42 18 A 1 ATOM 141 C CA . MET A 1 18 ? -2.414 1.904 -9.452 1.00 98.36 18 A 1 ATOM 142 C C . MET A 1 18 ? -2.397 0.825 -10.532 1.00 98.38 18 A 1 ATOM 143 O O . MET A 1 18 ? -2.411 1.130 -11.724 1.00 97.82 18 A 1 ATOM 144 C CB . MET A 1 18 ? -1.005 2.111 -8.894 1.00 98.05 18 A 1 ATOM 145 C CG . MET A 1 18 ? -0.886 3.370 -8.054 1.00 95.68 18 A 1 ATOM 146 S SD . MET A 1 18 ? 0.794 3.673 -7.462 1.00 87.59 18 A 1 ATOM 147 C CE . MET A 1 18 ? 1.507 4.443 -8.915 1.00 78.71 18 A 1 ATOM 148 N N . ILE A 1 19 ? -2.368 -0.425 -10.111 1.00 98.68 19 A 1 ATOM 149 C CA . ILE A 1 19 ? -2.368 -1.544 -11.048 1.00 98.58 19 A 1 ATOM 150 C C . ILE A 1 19 ? -3.662 -1.564 -11.854 1.00 98.59 19 A 1 ATOM 151 O O . ILE A 1 19 ? -3.655 -1.767 -13.070 1.00 98.31 19 A 1 ATOM 152 C CB . ILE A 1 19 ? -2.186 -2.877 -10.301 1.00 98.30 19 A 1 ATOM 153 C CG1 . ILE A 1 19 ? -0.815 -2.930 -9.605 1.00 96.55 19 A 1 ATOM 154 C CG2 . ILE A 1 19 ? -2.332 -4.045 -11.266 1.00 96.23 19 A 1 ATOM 155 C CD1 . ILE A 1 19 ? 0.347 -2.993 -10.572 1.00 93.46 19 A 1 ATOM 156 N N . SER A 1 20 ? -4.753 -1.352 -11.170 1.00 98.51 20 A 1 ATOM 157 C CA . SER A 1 20 ? -6.062 -1.345 -11.813 1.00 98.35 20 A 1 ATOM 158 C C . SER A 1 20 ? -6.187 -0.189 -12.799 1.00 98.21 20 A 1 ATOM 159 O O . SER A 1 20 ? -6.821 -0.315 -13.848 1.00 97.11 20 A 1 ATOM 160 C CB . SER A 1 20 ? -7.159 -1.243 -10.758 1.00 97.85 20 A 1 ATOM 161 O OG . SER A 1 20 ? -8.427 -1.384 -11.357 1.00 89.10 20 A 1 ATOM 162 N N . ALA A 1 21 ? -5.583 0.941 -12.452 1.00 98.29 21 A 1 ATOM 163 C CA . ALA A 1 21 ? -5.633 2.124 -13.307 1.00 98.10 21 A 1 ATOM 164 C C . ALA A 1 21 ? -4.793 1.933 -14.563 1.00 98.01 21 A 1 ATOM 165 O O . ALA A 1 21 ? -5.173 2.371 -15.651 1.00 96.74 21 A 1 ATOM 166 C CB . ALA A 1 21 ? -5.154 3.351 -12.537 1.00 97.45 21 A 1 ATOM 167 N N . VAL A 1 22 ? -3.637 1.288 -14.404 1.00 97.57 22 A 1 ATOM 168 C CA . VAL A 1 22 ? -2.736 1.055 -15.531 1.00 97.22 22 A 1 ATOM 169 C C . VAL A 1 22 ? -3.223 -0.097 -16.399 1.00 96.94 22 A 1 ATOM 170 O O . VAL A 1 22 ? -3.251 0.002 -17.631 1.00 94.30 22 A 1 ATOM 171 C CB . VAL A 1 22 ? -1.307 0.774 -15.040 1.00 95.72 22 A 1 ATOM 172 C CG1 . VAL A 1 22 ? -0.400 0.425 -16.211 1.00 87.74 22 A 1 ATOM 173 C CG2 . VAL A 1 22 ? -0.759 1.985 -14.305 1.00 87.97 22 A 1 ATOM 174 N N . ALA A 1 23 ? -3.571 -1.185 -15.746 1.00 94.37 23 A 1 ATOM 175 C CA . ALA A 1 23 ? -4.016 -2.376 -16.453 1.00 92.57 23 A 1 ATOM 176 C C . ALA A 1 23 ? -5.542 -2.447 -16.526 1.00 88.55 23 A 1 ATOM 177 O O . ALA A 1 23 ? -6.222 -1.797 -15.722 1.00 83.01 23 A 1 ATOM 178 C CB . ALA A 1 23 ? -3.448 -3.621 -15.781 1.00 88.40 23 A 1 ATOM 179 O OXT . ALA A 1 23 ? -6.069 -3.166 -17.369 1.00 77.24 23 A 1 #