# 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_spkb22786 # _entry.id spkb22786 # 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" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)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" "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 LYS 2 1 n MET 3 1 n LYS 4 1 n MET 5 1 n MET 6 1 n VAL 7 1 n ARG 8 1 n ILE 9 1 n TYR 10 1 n PHE 11 1 n VAL 12 1 n SER 13 1 n LEU 14 1 n SER 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n PHE 19 1 n HIS 20 1 n SER 21 1 n TYR 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 @ 2025-07-05 08:18:54)" _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 89.54 _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 79.18 1 1 A LYS 2 2 79.28 1 2 A MET 3 2 85.43 1 3 A LYS 4 2 83.84 1 4 A MET 5 2 85.03 1 5 A MET 6 2 85.99 1 6 A VAL 7 2 93.16 1 7 A ARG 8 2 85.10 1 8 A ILE 9 2 92.78 1 9 A TYR 10 2 90.65 1 10 A PHE 11 2 91.05 1 11 A VAL 12 2 93.94 1 12 A SER 13 2 94.12 1 13 A LEU 14 2 92.92 1 14 A SER 15 2 94.72 1 15 A LEU 16 2 94.05 1 16 A LEU 17 2 94.45 1 17 A LEU 18 2 94.82 1 18 A PHE 19 2 92.13 1 19 A HIS 20 2 90.44 1 20 A SER 21 2 93.79 1 21 A TYR 22 2 90.46 1 22 A ALA 23 2 86.87 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 LYS . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n TYR . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n HIS . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n TYR . 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 ? -2.869 9.761 19.844 1.00 82.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.102 8.539 19.042 1.00 88.15 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.925 8.279 18.107 1.00 89.12 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.523 9.176 17.371 1.00 84.51 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.378 8.684 18.211 1.00 81.91 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.628 8.765 19.070 1.00 74.20 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.119 8.992 18.091 1.00 69.30 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.357 8.960 19.373 1.00 63.38 1 A 1 ATOM 9 N N . LYS A 1 2 ? -1.373 7.067 18.134 1.00 86.13 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -0.221 6.690 17.304 1.00 89.20 2 A 1 ATOM 11 C C . LYS A 1 2 ? -0.618 5.808 16.110 1.00 89.61 2 A 1 ATOM 12 O O . LYS A 1 2 ? 0.233 5.408 15.322 1.00 87.78 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 0.818 5.973 18.180 1.00 84.55 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 1.394 6.863 19.281 1.00 73.81 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 2.399 6.111 20.130 1.00 74.62 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 2.977 7.001 21.213 1.00 66.03 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 3.920 6.258 22.093 1.00 61.80 2 A 1 ATOM 18 N N . MET A 1 3 ? -1.901 5.520 15.979 1.00 91.64 3 A 1 ATOM 19 C CA . MET A 1 3 ? -2.426 4.620 14.951 1.00 94.01 3 A 1 ATOM 20 C C . MET A 1 3 ? -2.309 5.197 13.538 1.00 94.83 3 A 1 ATOM 21 O O . MET A 1 3 ? -2.150 4.450 12.576 1.00 92.62 3 A 1 ATOM 22 C CB . MET A 1 3 ? -3.890 4.295 15.273 1.00 90.34 3 A 1 ATOM 23 C CG . MET A 1 3 ? -4.392 3.048 14.557 1.00 80.34 3 A 1 ATOM 24 S SD . MET A 1 3 ? -3.710 1.546 15.255 1.00 73.91 3 A 1 ATOM 25 C CE . MET A 1 3 ? -4.602 0.315 14.308 1.00 65.77 3 A 1 ATOM 26 N N . LYS A 1 4 ? -2.361 6.525 13.400 1.00 91.69 4 A 1 ATOM 27 C CA . LYS A 1 4 ? -2.303 7.195 12.098 1.00 92.87 4 A 1 ATOM 28 C C . LYS A 1 4 ? -1.027 6.870 11.316 1.00 93.73 4 A 1 ATOM 29 O O . LYS A 1 4 ? -1.034 6.890 10.088 1.00 92.83 4 A 1 ATOM 30 C CB . LYS A 1 4 ? -2.473 8.711 12.273 1.00 91.34 4 A 1 ATOM 31 C CG . LYS A 1 4 ? -1.334 9.398 13.017 1.00 81.71 4 A 1 ATOM 32 C CD . LYS A 1 4 ? -1.596 10.892 13.164 1.00 79.11 4 A 1 ATOM 33 C CE . LYS A 1 4 ? -0.433 11.588 13.850 1.00 68.74 4 A 1 ATOM 34 N NZ . LYS A 1 4 ? -0.686 13.047 14.002 1.00 62.52 4 A 1 ATOM 35 N N . MET A 1 5 ? 0.061 6.571 12.016 1.00 92.46 5 A 1 ATOM 36 C CA . MET A 1 5 ? 1.329 6.224 11.382 1.00 93.32 5 A 1 ATOM 37 C C . MET A 1 5 ? 1.229 4.887 10.643 1.00 94.43 5 A 1 ATOM 38 O O . MET A 1 5 ? 1.710 4.754 9.522 1.00 92.96 5 A 1 ATOM 39 C CB . MET A 1 5 ? 2.428 6.173 12.447 1.00 91.41 5 A 1 ATOM 40 C CG . MET A 1 5 ? 3.810 6.374 11.862 1.00 80.53 5 A 1 ATOM 41 S SD . MET A 1 5 ? 4.164 8.090 11.479 1.00 71.88 5 A 1 ATOM 42 C CE . MET A 1 5 ? 5.915 7.970 11.129 1.00 63.23 5 A 1 ATOM 43 N N . MET A 1 6 ? 0.574 3.904 11.263 1.00 94.12 6 A 1 ATOM 44 C CA . MET A 1 6 ? 0.375 2.587 10.659 1.00 94.58 6 A 1 ATOM 45 C C . MET A 1 6 ? -0.487 2.664 9.402 1.00 95.44 6 A 1 ATOM 46 O O . MET A 1 6 ? -0.189 2.013 8.403 1.00 94.16 6 A 1 ATOM 47 C CB . MET A 1 6 ? -0.276 1.635 11.668 1.00 93.10 6 A 1 ATOM 48 C CG . MET A 1 6 ? 0.735 0.762 12.388 1.00 82.00 6 A 1 ATOM 49 S SD . MET A 1 6 ? -0.047 -0.437 13.461 1.00 71.22 6 A 1 ATOM 50 C CE . MET A 1 6 ? 1.210 -1.707 13.503 1.00 63.29 6 A 1 ATOM 51 N N . VAL A 1 7 ? -1.542 3.477 9.452 1.00 95.05 7 A 1 ATOM 52 C CA . VAL A 1 7 ? -2.447 3.639 8.313 1.00 95.30 7 A 1 ATOM 53 C C . VAL A 1 7 ? -1.700 4.210 7.105 1.00 95.90 7 A 1 ATOM 54 O O . VAL A 1 7 ? -1.886 3.749 5.974 1.00 95.25 7 A 1 ATOM 55 C CB . VAL A 1 7 ? -3.645 4.529 8.684 1.00 94.53 7 A 1 ATOM 56 C CG1 . VAL A 1 7 ? -4.566 4.734 7.490 1.00 88.03 7 A 1 ATOM 57 C CG2 . VAL A 1 7 ? -4.431 3.910 9.832 1.00 88.06 7 A 1 ATOM 58 N N . ARG A 1 8 ? -0.830 5.199 7.337 1.00 96.36 8 A 1 ATOM 59 C CA . ARG A 1 8 ? -0.046 5.807 6.261 1.00 96.59 8 A 1 ATOM 60 C C . ARG A 1 8 ? 0.948 4.816 5.659 1.00 96.77 8 A 1 ATOM 61 O O . ARG A 1 8 ? 1.094 4.762 4.441 1.00 95.91 8 A 1 ATOM 62 C CB . ARG A 1 8 ? 0.669 7.058 6.767 1.00 96.13 8 A 1 ATOM 63 C CG . ARG A 1 8 ? -0.303 8.227 6.923 1.00 88.16 8 A 1 ATOM 64 C CD . ARG A 1 8 ? 0.419 9.526 7.231 1.00 85.38 8 A 1 ATOM 65 N NE . ARG A 1 8 ? 0.896 9.576 8.617 1.00 77.93 8 A 1 ATOM 66 C CZ . ARG A 1 8 ? 1.503 10.626 9.163 1.00 72.80 8 A 1 ATOM 67 N NH1 . ARG A 1 8 ? 1.723 11.724 8.473 1.00 67.04 8 A 1 ATOM 68 N NH2 . ARG A 1 8 ? 1.892 10.576 10.421 1.00 63.00 8 A 1 ATOM 69 N N . ILE A 1 9 ? 1.603 4.021 6.491 1.00 95.33 9 A 1 ATOM 70 C CA . ILE A 1 9 ? 2.551 3.008 6.017 1.00 95.12 9 A 1 ATOM 71 C C . ILE A 1 9 ? 1.826 1.964 5.161 1.00 95.51 9 A 1 ATOM 72 O O . ILE A 1 9 ? 2.317 1.568 4.100 1.00 95.19 9 A 1 ATOM 73 C CB . ILE A 1 9 ? 3.276 2.340 7.210 1.00 94.88 9 A 1 ATOM 74 C CG1 . ILE A 1 9 ? 4.191 3.356 7.918 1.00 90.93 9 A 1 ATOM 75 C CG2 . ILE A 1 9 ? 4.103 1.143 6.734 1.00 90.05 9 A 1 ATOM 76 C CD1 . ILE A 1 9 ? 4.661 2.897 9.286 1.00 85.21 9 A 1 ATOM 77 N N . TYR A 1 10 ? 0.654 1.545 5.615 1.00 95.88 10 A 1 ATOM 78 C CA . TYR A 1 10 ? -0.158 0.577 4.878 1.00 95.68 10 A 1 ATOM 79 C C . TYR A 1 10 ? -0.553 1.123 3.504 1.00 95.90 10 A 1 ATOM 80 O O . TYR A 1 10 ? -0.434 0.425 2.492 1.00 95.76 10 A 1 ATOM 81 C CB . TYR A 1 10 ? -1.404 0.231 5.705 1.00 95.60 10 A 1 ATOM 82 C CG . TYR A 1 10 ? -2.322 -0.749 5.013 1.00 89.38 10 A 1 ATOM 83 C CD1 . TYR A 1 10 ? -3.411 -0.303 4.266 1.00 86.24 10 A 1 ATOM 84 C CD2 . TYR A 1 10 ? -2.082 -2.121 5.102 1.00 87.61 10 A 1 ATOM 85 C CE1 . TYR A 1 10 ? -4.247 -1.211 3.621 1.00 85.02 10 A 1 ATOM 86 C CE2 . TYR A 1 10 ? -2.917 -3.030 4.456 1.00 87.44 10 A 1 ATOM 87 C CZ . TYR A 1 10 ? -3.996 -2.571 3.716 1.00 88.67 10 A 1 ATOM 88 O OH . TYR A 1 10 ? -4.818 -3.469 3.076 1.00 84.65 10 A 1 ATOM 89 N N . PHE A 1 11 ? -1.009 2.378 3.456 1.00 95.76 11 A 1 ATOM 90 C CA . PHE A 1 11 ? -1.425 3.016 2.210 1.00 95.66 11 A 1 ATOM 91 C C . PHE A 1 11 ? -0.255 3.169 1.240 1.00 95.94 11 A 1 ATOM 92 O O . PHE A 1 11 ? -0.391 2.871 0.051 1.00 95.56 11 A 1 ATOM 93 C CB . PHE A 1 11 ? -2.050 4.381 2.517 1.00 95.61 11 A 1 ATOM 94 C CG . PHE A 1 11 ? -2.677 5.019 1.304 1.00 90.85 11 A 1 ATOM 95 C CD1 . PHE A 1 11 ? -1.968 5.943 0.537 1.00 86.27 11 A 1 ATOM 96 C CD2 . PHE A 1 11 ? -3.972 4.674 0.928 1.00 87.83 11 A 1 ATOM 97 C CE1 . PHE A 1 11 ? -2.544 6.519 -0.590 1.00 85.55 11 A 1 ATOM 98 C CE2 . PHE A 1 11 ? -4.550 5.246 -0.201 1.00 85.46 11 A 1 ATOM 99 C CZ . PHE A 1 11 ? -3.836 6.168 -0.959 1.00 87.04 11 A 1 ATOM 100 N N . VAL A 1 12 ? 0.890 3.612 1.728 1.00 96.35 12 A 1 ATOM 101 C CA . VAL A 1 12 ? 2.084 3.785 0.894 1.00 95.67 12 A 1 ATOM 102 C C . VAL A 1 12 ? 2.574 2.438 0.365 1.00 96.11 12 A 1 ATOM 103 O O . VAL A 1 12 ? 2.916 2.323 -0.816 1.00 95.53 12 A 1 ATOM 104 C CB . VAL A 1 12 ? 3.195 4.515 1.679 1.00 94.94 12 A 1 ATOM 105 C CG1 . VAL A 1 12 ? 4.508 4.540 0.906 1.00 89.02 12 A 1 ATOM 106 C CG2 . VAL A 1 12 ? 2.772 5.945 1.984 1.00 89.97 12 A 1 ATOM 107 N N . SER A 1 13 ? 2.585 1.426 1.210 1.00 95.93 13 A 1 ATOM 108 C CA . SER A 1 13 ? 3.017 0.086 0.818 1.00 95.92 13 A 1 ATOM 109 C C . SER A 1 13 ? 2.125 -0.488 -0.287 1.00 96.24 13 A 1 ATOM 110 O O . SER A 1 13 ? 2.626 -1.026 -1.274 1.00 95.71 13 A 1 ATOM 111 C CB . SER A 1 13 ? 3.008 -0.834 2.036 1.00 95.55 13 A 1 ATOM 112 O OG . SER A 1 13 ? 3.491 -2.110 1.688 1.00 85.34 13 A 1 ATOM 113 N N . LEU A 1 14 ? 0.819 -0.349 -0.136 1.00 96.49 14 A 1 ATOM 114 C CA . LEU A 1 14 ? -0.140 -0.829 -1.133 1.00 95.98 14 A 1 ATOM 115 C C . LEU A 1 14 ? -0.000 -0.060 -2.448 1.00 96.49 14 A 1 ATOM 116 O O . LEU A 1 14 ? -0.043 -0.657 -3.526 1.00 96.28 14 A 1 ATOM 117 C CB . LEU A 1 14 ? -1.563 -0.696 -0.573 1.00 95.66 14 A 1 ATOM 118 C CG . LEU A 1 14 ? -2.654 -1.312 -1.452 1.00 89.93 14 A 1 ATOM 119 C CD1 . LEU A 1 14 ? -2.472 -2.822 -1.592 1.00 85.14 14 A 1 ATOM 120 C CD2 . LEU A 1 14 ? -4.025 -1.016 -0.861 1.00 87.37 14 A 1 ATOM 121 N N . SER A 1 15 ? 0.189 1.252 -2.379 1.00 96.05 15 A 1 ATOM 122 C CA . SER A 1 15 ? 0.355 2.096 -3.563 1.00 95.98 15 A 1 ATOM 123 C C . SER A 1 15 ? 1.625 1.734 -4.335 1.00 96.62 15 A 1 ATOM 124 O O . SER A 1 15 ? 1.602 1.676 -5.564 1.00 95.90 15 A 1 ATOM 125 C CB . SER A 1 15 ? 0.393 3.569 -3.166 1.00 95.20 15 A 1 ATOM 126 O OG . SER A 1 15 ? -0.828 3.951 -2.571 1.00 88.55 15 A 1 ATOM 127 N N . LEU A 1 16 ? 2.717 1.478 -3.633 1.00 97.23 16 A 1 ATOM 128 C CA . LEU A 1 16 ? 3.979 1.086 -4.261 1.00 97.11 16 A 1 ATOM 129 C C . LEU A 1 16 ? 3.852 -0.276 -4.944 1.00 97.53 16 A 1 ATOM 130 O O . LEU A 1 16 ? 4.365 -0.465 -6.049 1.00 96.98 16 A 1 ATOM 131 C CB . LEU A 1 16 ? 5.096 1.050 -3.209 1.00 96.76 16 A 1 ATOM 132 C CG . LEU A 1 16 ? 5.590 2.430 -2.770 1.00 91.20 16 A 1 ATOM 133 C CD1 . LEU A 1 16 ? 6.469 2.300 -1.531 1.00 86.41 16 A 1 ATOM 134 C CD2 . LEU A 1 16 ? 6.383 3.107 -3.882 1.00 89.21 16 A 1 ATOM 135 N N . LEU A 1 17 ? 3.165 -1.206 -4.311 1.00 97.55 17 A 1 ATOM 136 C CA . LEU A 1 17 ? 2.942 -2.535 -4.874 1.00 97.27 17 A 1 ATOM 137 C C . LEU A 1 17 ? 2.141 -2.445 -6.176 1.00 97.43 17 A 1 ATOM 138 O O . LEU A 1 17 ? 2.498 -3.072 -7.175 1.00 97.03 17 A 1 ATOM 139 C CB . LEU A 1 17 ? 2.214 -3.414 -3.850 1.00 97.18 17 A 1 ATOM 140 C CG . LEU A 1 17 ? 2.032 -4.875 -4.281 1.00 92.64 17 A 1 ATOM 141 C CD1 . LEU A 1 17 ? 3.372 -5.603 -4.365 1.00 86.49 17 A 1 ATOM 142 C CD2 . LEU A 1 17 ? 1.125 -5.598 -3.295 1.00 90.05 17 A 1 ATOM 143 N N . LEU A 1 18 ? 1.070 -1.652 -6.185 1.00 97.59 18 A 1 ATOM 144 C CA . LEU A 1 18 ? 0.238 -1.457 -7.368 1.00 97.29 18 A 1 ATOM 145 C C . LEU A 1 18 ? 1.017 -0.744 -8.469 1.00 97.33 18 A 1 ATOM 146 O O . LEU A 1 18 ? 0.971 -1.152 -9.631 1.00 96.90 18 A 1 ATOM 147 C CB . LEU A 1 18 ? -1.019 -0.659 -6.996 1.00 97.00 18 A 1 ATOM 148 C CG . LEU A 1 18 ? -2.028 -1.436 -6.140 1.00 94.02 18 A 1 ATOM 149 C CD1 . LEU A 1 18 ? -3.087 -0.486 -5.588 1.00 88.06 18 A 1 ATOM 150 C CD2 . LEU A 1 18 ? -2.703 -2.538 -6.954 1.00 90.38 18 A 1 ATOM 151 N N . PHE A 1 19 ? 1.755 0.304 -8.122 1.00 97.05 19 A 1 ATOM 152 C CA . PHE A 1 19 ? 2.559 1.058 -9.080 1.00 96.90 19 A 1 ATOM 153 C C . PHE A 1 19 ? 3.596 0.158 -9.752 1.00 97.10 19 A 1 ATOM 154 O O . PHE A 1 19 ? 3.765 0.210 -10.971 1.00 96.34 19 A 1 ATOM 155 C CB . PHE A 1 19 ? 3.235 2.237 -8.376 1.00 96.37 19 A 1 ATOM 156 C CG . PHE A 1 19 ? 3.966 3.150 -9.325 1.00 93.02 19 A 1 ATOM 157 C CD1 . PHE A 1 19 ? 3.273 4.088 -10.084 1.00 86.51 19 A 1 ATOM 158 C CD2 . PHE A 1 19 ? 5.350 3.049 -9.467 1.00 88.30 19 A 1 ATOM 159 C CE1 . PHE A 1 19 ? 3.953 4.920 -10.970 1.00 86.63 19 A 1 ATOM 160 C CE2 . PHE A 1 19 ? 6.031 3.880 -10.360 1.00 87.44 19 A 1 ATOM 161 C CZ . PHE A 1 19 ? 5.328 4.815 -11.109 1.00 87.78 19 A 1 ATOM 162 N N . HIS A 1 20 ? 4.269 -0.674 -8.977 1.00 97.04 20 A 1 ATOM 163 C CA . HIS A 1 20 ? 5.270 -1.595 -9.510 1.00 96.56 20 A 1 ATOM 164 C C . HIS A 1 20 ? 4.641 -2.629 -10.450 1.00 96.58 20 A 1 ATOM 165 O O . HIS A 1 20 ? 5.249 -3.015 -11.449 1.00 95.44 20 A 1 ATOM 166 C CB . HIS A 1 20 ? 5.998 -2.294 -8.358 1.00 96.00 20 A 1 ATOM 167 C CG . HIS A 1 20 ? 7.185 -3.088 -8.816 1.00 91.74 20 A 1 ATOM 168 N ND1 . HIS A 1 20 ? 7.114 -4.377 -9.294 1.00 79.30 20 A 1 ATOM 169 C CD2 . HIS A 1 20 ? 8.494 -2.734 -8.876 1.00 82.64 20 A 1 ATOM 170 C CE1 . HIS A 1 20 ? 8.344 -4.777 -9.629 1.00 83.48 20 A 1 ATOM 171 N NE2 . HIS A 1 20 ? 9.202 -3.802 -9.387 1.00 85.64 20 A 1 ATOM 172 N N . SER A 1 21 ? 3.422 -3.069 -10.153 1.00 96.12 21 A 1 ATOM 173 C CA . SER A 1 21 ? 2.712 -4.050 -10.976 1.00 95.76 21 A 1 ATOM 174 C C . SER A 1 21 ? 2.210 -3.455 -12.295 1.00 95.36 21 A 1 ATOM 175 O O . SER A 1 21 ? 2.038 -4.183 -13.274 1.00 93.60 21 A 1 ATOM 176 C CB . SER A 1 21 ? 1.533 -4.636 -10.194 1.00 94.84 21 A 1 ATOM 177 O OG . SER A 1 21 ? 1.983 -5.283 -9.014 1.00 87.06 21 A 1 ATOM 178 N N . TYR A 1 22 ? 1.967 -2.148 -12.315 1.00 96.13 22 A 1 ATOM 179 C CA . TYR A 1 22 ? 1.444 -1.458 -13.497 1.00 95.73 22 A 1 ATOM 180 C C . TYR A 1 22 ? 2.558 -0.814 -14.336 1.00 95.29 22 A 1 ATOM 181 O O . TYR A 1 22 ? 2.298 -0.375 -15.459 1.00 93.70 22 A 1 ATOM 182 C CB . TYR A 1 22 ? 0.411 -0.396 -13.064 1.00 94.86 22 A 1 ATOM 183 C CG . TYR A 1 22 ? -0.956 -0.967 -12.717 1.00 90.10 22 A 1 ATOM 184 C CD1 . TYR A 1 22 ? -1.125 -1.852 -11.659 1.00 87.20 22 A 1 ATOM 185 C CD2 . TYR A 1 22 ? -2.075 -0.604 -13.467 1.00 86.91 22 A 1 ATOM 186 C CE1 . TYR A 1 22 ? -2.378 -2.375 -11.346 1.00 86.80 22 A 1 ATOM 187 C CE2 . TYR A 1 22 ? -3.341 -1.116 -13.159 1.00 87.17 22 A 1 ATOM 188 C CZ . TYR A 1 22 ? -3.483 -2.000 -12.097 1.00 86.76 22 A 1 ATOM 189 O OH . TYR A 1 22 ? -4.723 -2.510 -11.794 1.00 84.90 22 A 1 ATOM 190 N N . ALA A 1 23 ? 3.776 -0.755 -13.816 1.00 93.21 23 A 1 ATOM 191 C CA . ALA A 1 23 ? 4.911 -0.144 -14.511 1.00 91.55 23 A 1 ATOM 192 C C . ALA A 1 23 ? 5.592 -1.163 -15.432 1.00 87.92 23 A 1 ATOM 193 O O . ALA A 1 23 ? 5.841 -0.837 -16.611 1.00 85.65 23 A 1 ATOM 194 C CB . ALA A 1 23 ? 5.896 0.429 -13.488 1.00 87.20 23 A 1 ATOM 195 O OXT . ALA A 1 23 ? 5.901 -2.280 -14.983 1.00 75.69 23 A 1 #