# 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_spkb33527 # _entry.id spkb33527 # 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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ASN 2 1 n ARG 3 1 n ILE 4 1 n SER 5 1 n ILE 6 1 n TYR 7 1 n ARG 8 1 n ILE 9 1 n LYS 10 1 n VAL 11 1 n LEU 12 1 n ALA 13 1 n PHE 14 1 n LEU 15 1 n PHE 16 1 n ALA 17 1 n VAL 18 1 n SER 19 1 n THR 20 1 n TYR 21 1 n VAL 22 1 n TYR 23 1 n PRO 24 1 n ALA 25 1 n SER 26 1 n SER 27 # _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 @ 2025-07-12 04:58:45)" _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 89.66 _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 79.60 1 1 A ASN 2 2 89.05 1 2 A ARG 3 2 83.47 1 3 A ILE 4 2 92.12 1 4 A SER 5 2 93.20 1 5 A ILE 6 2 93.40 1 6 A TYR 7 2 91.17 1 7 A ARG 8 2 86.33 1 8 A ILE 9 2 94.71 1 9 A LYS 10 2 91.12 1 10 A VAL 11 2 96.63 1 11 A LEU 12 2 92.50 1 12 A ALA 13 2 97.54 1 13 A PHE 14 2 94.18 1 14 A LEU 15 2 94.14 1 15 A PHE 16 2 91.59 1 16 A ALA 17 2 96.98 1 17 A VAL 18 2 95.19 1 18 A SER 19 2 92.83 1 19 A THR 20 2 92.01 1 20 A TYR 21 2 90.47 1 21 A VAL 22 2 93.09 1 22 A TYR 23 2 84.87 1 23 A PRO 24 2 89.33 1 24 A ALA 25 2 82.19 1 25 A SER 26 2 76.21 1 26 A SER 27 2 70.07 1 27 # _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 ASN . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n TYR . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n TYR . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n SER . 27 A 27 # _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 ? 5.005 22.632 2.622 1.00 86.57 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.846 21.372 1.865 1.00 89.28 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.371 21.025 1.715 1.00 89.19 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.560 21.412 2.548 1.00 83.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.549 20.230 2.590 1.00 81.24 1 A 1 ATOM 6 C CG . MET A 1 1 ? 7.063 20.387 2.535 1.00 75.37 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.896 18.988 3.283 1.00 69.72 1 A 1 ATOM 8 C CE . MET A 1 1 ? 9.598 19.406 2.914 1.00 61.70 1 A 1 ATOM 9 N N . ASN A 1 2 ? 3.041 20.307 0.673 1.00 93.00 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 1.655 19.927 0.428 1.00 94.70 2 A 1 ATOM 11 C C . ASN A 1 2 ? 1.267 18.718 1.272 1.00 95.20 2 A 1 ATOM 12 O O . ASN A 1 2 ? 2.021 17.757 1.377 1.00 94.27 2 A 1 ATOM 13 C CB . ASN A 1 2 ? 1.464 19.611 -1.050 1.00 91.88 2 A 1 ATOM 14 C CG . ASN A 1 2 ? 1.296 20.878 -1.865 1.00 85.34 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? 0.686 21.835 -1.418 1.00 80.70 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? 1.833 20.893 -3.070 1.00 77.32 2 A 1 ATOM 17 N N . ARG A 1 3 ? 0.086 18.773 1.852 1.00 94.88 3 A 1 ATOM 18 C CA . ARG A 1 3 ? -0.409 17.671 2.682 1.00 96.10 3 A 1 ATOM 19 C C . ARG A 1 3 ? -0.831 16.488 1.819 1.00 96.61 3 A 1 ATOM 20 O O . ARG A 1 3 ? -0.834 15.349 2.283 1.00 94.79 3 A 1 ATOM 21 C CB . ARG A 1 3 ? -1.599 18.155 3.507 1.00 94.39 3 A 1 ATOM 22 C CG . ARG A 1 3 ? -1.205 19.246 4.494 1.00 85.44 3 A 1 ATOM 23 C CD . ARG A 1 3 ? -0.519 18.627 5.714 1.00 82.91 3 A 1 ATOM 24 N NE . ARG A 1 3 ? 0.053 19.653 6.583 1.00 74.66 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? 0.636 19.398 7.744 1.00 70.47 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? 0.716 18.165 8.201 1.00 65.80 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? 1.142 20.381 8.457 1.00 62.16 3 A 1 ATOM 28 N N . ILE A 1 4 ? -1.181 16.763 0.587 1.00 95.55 4 A 1 ATOM 29 C CA . ILE A 1 4 ? -1.617 15.711 -0.330 1.00 95.35 4 A 1 ATOM 30 C C . ILE A 1 4 ? -0.526 14.657 -0.491 1.00 95.70 4 A 1 ATOM 31 O O . ILE A 1 4 ? -0.810 13.459 -0.503 1.00 95.04 4 A 1 ATOM 32 C CB . ILE A 1 4 ? -1.977 16.316 -1.690 1.00 94.97 4 A 1 ATOM 33 C CG1 . ILE A 1 4 ? -3.152 17.285 -1.536 1.00 90.38 4 A 1 ATOM 34 C CG2 . ILE A 1 4 ? -2.342 15.198 -2.671 1.00 88.58 4 A 1 ATOM 35 C CD1 . ILE A 1 4 ? -3.297 18.214 -2.734 1.00 81.41 4 A 1 ATOM 36 N N . SER A 1 5 ? 0.712 15.093 -0.611 1.00 95.91 5 A 1 ATOM 37 C CA . SER A 1 5 ? 1.832 14.165 -0.774 1.00 96.01 5 A 1 ATOM 38 C C . SER A 1 5 ? 1.959 13.253 0.440 1.00 96.66 5 A 1 ATOM 39 O O . SER A 1 5 ? 2.168 12.050 0.306 1.00 96.21 5 A 1 ATOM 40 C CB . SER A 1 5 ? 3.131 14.941 -0.971 1.00 94.46 5 A 1 ATOM 41 O OG . SER A 1 5 ? 3.077 15.685 -2.167 1.00 79.96 5 A 1 ATOM 42 N N . ILE A 1 6 ? 1.827 13.825 1.622 1.00 96.09 6 A 1 ATOM 43 C CA . ILE A 1 6 ? 1.928 13.046 2.856 1.00 96.09 6 A 1 ATOM 44 C C . ILE A 1 6 ? 0.794 12.027 2.922 1.00 96.43 6 A 1 ATOM 45 O O . ILE A 1 6 ? 1.002 10.873 3.303 1.00 96.05 6 A 1 ATOM 46 C CB . ILE A 1 6 ? 1.886 13.980 4.076 1.00 95.80 6 A 1 ATOM 47 C CG1 . ILE A 1 6 ? 3.093 14.925 4.060 1.00 91.86 6 A 1 ATOM 48 C CG2 . ILE A 1 6 ? 1.882 13.146 5.363 1.00 91.29 6 A 1 ATOM 49 C CD1 . ILE A 1 6 ? 2.936 16.091 5.021 1.00 83.59 6 A 1 ATOM 50 N N . TYR A 1 7 ? -0.400 12.453 2.553 1.00 96.92 7 A 1 ATOM 51 C CA . TYR A 1 7 ? -1.564 11.567 2.574 1.00 96.73 7 A 1 ATOM 52 C C . TYR A 1 7 ? -1.362 10.397 1.616 1.00 97.04 7 A 1 ATOM 53 O O . TYR A 1 7 ? -1.673 9.252 1.947 1.00 96.88 7 A 1 ATOM 54 C CB . TYR A 1 7 ? -2.812 12.358 2.175 1.00 96.49 7 A 1 ATOM 55 C CG . TYR A 1 7 ? -3.455 13.073 3.347 1.00 90.54 7 A 1 ATOM 56 C CD1 . TYR A 1 7 ? -2.693 13.798 4.256 1.00 87.09 7 A 1 ATOM 57 C CD2 . TYR A 1 7 ? -4.834 13.012 3.529 1.00 88.03 7 A 1 ATOM 58 C CE1 . TYR A 1 7 ? -3.288 14.449 5.327 1.00 85.55 7 A 1 ATOM 59 C CE2 . TYR A 1 7 ? -5.441 13.666 4.594 1.00 87.63 7 A 1 ATOM 60 C CZ . TYR A 1 7 ? -4.664 14.383 5.491 1.00 86.84 7 A 1 ATOM 61 O OH . TYR A 1 7 ? -5.258 15.030 6.546 1.00 84.34 7 A 1 ATOM 62 N N . ARG A 1 8 ? -0.829 10.680 0.449 1.00 97.02 8 A 1 ATOM 63 C CA . ARG A 1 8 ? -0.594 9.636 -0.555 1.00 97.33 8 A 1 ATOM 64 C C . ARG A 1 8 ? 0.442 8.636 -0.052 1.00 97.65 8 A 1 ATOM 65 O O . ARG A 1 8 ? 0.283 7.427 -0.220 1.00 96.96 8 A 1 ATOM 66 C CB . ARG A 1 8 ? -0.127 10.271 -1.866 1.00 97.05 8 A 1 ATOM 67 C CG . ARG A 1 8 ? -1.211 11.121 -2.499 1.00 90.92 8 A 1 ATOM 68 C CD . ARG A 1 8 ? -1.103 11.071 -4.023 1.00 86.48 8 A 1 ATOM 69 N NE . ARG A 1 8 ? -1.422 9.734 -4.518 1.00 78.73 8 A 1 ATOM 70 C CZ . ARG A 1 8 ? -2.100 9.485 -5.632 1.00 73.99 8 A 1 ATOM 71 N NH1 . ARG A 1 8 ? -2.539 10.462 -6.391 1.00 67.12 8 A 1 ATOM 72 N NH2 . ARG A 1 8 ? -2.352 8.245 -5.987 1.00 66.37 8 A 1 ATOM 73 N N . ILE A 1 9 ? 1.491 9.132 0.560 1.00 97.41 9 A 1 ATOM 74 C CA . ILE A 1 9 ? 2.545 8.259 1.083 1.00 97.20 9 A 1 ATOM 75 C C . ILE A 1 9 ? 1.981 7.351 2.173 1.00 97.42 9 A 1 ATOM 76 O O . ILE A 1 9 ? 2.298 6.161 2.227 1.00 96.83 9 A 1 ATOM 77 C CB . ILE A 1 9 ? 3.706 9.105 1.633 1.00 96.71 9 A 1 ATOM 78 C CG1 . ILE A 1 9 ? 4.405 9.848 0.487 1.00 93.57 9 A 1 ATOM 79 C CG2 . ILE A 1 9 ? 4.715 8.211 2.358 1.00 92.99 9 A 1 ATOM 80 C CD1 . ILE A 1 9 ? 5.262 11.005 0.977 1.00 85.54 9 A 1 ATOM 81 N N . LYS A 1 10 ? 1.146 7.902 3.030 1.00 97.52 10 A 1 ATOM 82 C CA . LYS A 1 10 ? 0.551 7.118 4.116 1.00 97.55 10 A 1 ATOM 83 C C . LYS A 1 10 ? -0.333 6.013 3.555 1.00 97.56 10 A 1 ATOM 84 O O . LYS A 1 10 ? -0.279 4.873 4.014 1.00 97.37 10 A 1 ATOM 85 C CB . LYS A 1 10 ? -0.262 8.034 5.030 1.00 97.51 10 A 1 ATOM 86 C CG . LYS A 1 10 ? 0.629 8.907 5.898 1.00 91.93 10 A 1 ATOM 87 C CD . LYS A 1 10 ? -0.194 9.805 6.809 1.00 86.12 10 A 1 ATOM 88 C CE . LYS A 1 10 ? -0.214 9.266 8.232 1.00 81.68 10 A 1 ATOM 89 N NZ . LYS A 1 10 ? -0.601 10.330 9.197 1.00 72.81 10 A 1 ATOM 90 N N . VAL A 1 11 ? -1.128 6.347 2.565 1.00 97.80 11 A 1 ATOM 91 C CA . VAL A 1 11 ? -2.009 5.360 1.939 1.00 97.71 11 A 1 ATOM 92 C C . VAL A 1 11 ? -1.183 4.272 1.266 1.00 97.78 11 A 1 ATOM 93 O O . VAL A 1 11 ? -1.495 3.084 1.374 1.00 97.17 11 A 1 ATOM 94 C CB . VAL A 1 11 ? -2.929 6.040 0.913 1.00 97.20 11 A 1 ATOM 95 C CG1 . VAL A 1 11 ? -3.735 5.004 0.143 1.00 94.41 11 A 1 ATOM 96 C CG2 . VAL A 1 11 ? -3.868 7.006 1.617 1.00 94.32 11 A 1 ATOM 97 N N . LEU A 1 12 ? -0.146 4.671 0.576 1.00 97.41 12 A 1 ATOM 98 C CA . LEU A 1 12 ? 0.717 3.717 -0.118 1.00 96.92 12 A 1 ATOM 99 C C . LEU A 1 12 ? 1.386 2.779 0.879 1.00 97.07 12 A 1 ATOM 100 O O . LEU A 1 12 ? 1.442 1.569 0.669 1.00 96.81 12 A 1 ATOM 101 C CB . LEU A 1 12 ? 1.781 4.471 -0.919 1.00 96.48 12 A 1 ATOM 102 C CG . LEU A 1 12 ? 2.140 3.764 -2.223 1.00 87.48 12 A 1 ATOM 103 C CD1 . LEU A 1 12 ? 1.124 4.114 -3.306 1.00 83.42 12 A 1 ATOM 104 C CD2 . LEU A 1 12 ? 3.536 4.164 -2.679 1.00 84.39 12 A 1 ATOM 105 N N . ALA A 1 13 ? 1.896 3.336 1.959 1.00 97.76 13 A 1 ATOM 106 C CA . ALA A 1 13 ? 2.562 2.537 2.989 1.00 97.69 13 A 1 ATOM 107 C C . ALA A 1 13 ? 1.583 1.547 3.614 1.00 97.75 13 A 1 ATOM 108 O O . ALA A 1 13 ? 1.924 0.388 3.850 1.00 97.14 13 A 1 ATOM 109 C CB . ALA A 1 13 ? 3.133 3.463 4.056 1.00 97.38 13 A 1 ATOM 110 N N . PHE A 1 14 ? 0.380 1.997 3.875 1.00 97.44 14 A 1 ATOM 111 C CA . PHE A 1 14 ? -0.646 1.141 4.463 1.00 97.24 14 A 1 ATOM 112 C C . PHE A 1 14 ? -0.991 -0.002 3.517 1.00 97.30 14 A 1 ATOM 113 O O . PHE A 1 14 ? -1.072 -1.160 3.925 1.00 96.72 14 A 1 ATOM 114 C CB . PHE A 1 14 ? -1.890 1.977 4.761 1.00 96.97 14 A 1 ATOM 115 C CG . PHE A 1 14 ? -2.942 1.184 5.492 1.00 95.15 14 A 1 ATOM 116 C CD1 . PHE A 1 14 ? -2.786 0.881 6.838 1.00 91.28 14 A 1 ATOM 117 C CD2 . PHE A 1 14 ? -4.077 0.741 4.823 1.00 92.35 14 A 1 ATOM 118 C CE1 . PHE A 1 14 ? -3.752 0.148 7.514 1.00 89.87 14 A 1 ATOM 119 C CE2 . PHE A 1 14 ? -5.046 0.000 5.494 1.00 90.78 14 A 1 ATOM 120 C CZ . PHE A 1 14 ? -4.883 -0.295 6.840 1.00 90.89 14 A 1 ATOM 121 N N . LEU A 1 15 ? -1.195 0.322 2.266 1.00 97.06 15 A 1 ATOM 122 C CA . LEU A 1 15 ? -1.524 -0.687 1.261 1.00 96.77 15 A 1 ATOM 123 C C . LEU A 1 15 ? -0.391 -1.698 1.126 1.00 96.71 15 A 1 ATOM 124 O O . LEU A 1 15 ? -0.628 -2.898 1.002 1.00 96.45 15 A 1 ATOM 125 C CB . LEU A 1 15 ? -1.780 -0.003 -0.083 1.00 96.59 15 A 1 ATOM 126 C CG . LEU A 1 15 ? -2.655 -0.845 -1.010 1.00 92.29 15 A 1 ATOM 127 C CD1 . LEU A 1 15 ? -4.114 -0.753 -0.573 1.00 88.23 15 A 1 ATOM 128 C CD2 . LEU A 1 15 ? -2.519 -0.369 -2.446 1.00 88.98 15 A 1 ATOM 129 N N . PHE A 1 16 ? 0.825 -1.223 1.142 1.00 96.81 16 A 1 ATOM 130 C CA . PHE A 1 16 ? 1.997 -2.086 1.023 1.00 96.11 16 A 1 ATOM 131 C C . PHE A 1 16 ? 2.080 -3.037 2.211 1.00 96.14 16 A 1 ATOM 132 O O . PHE A 1 16 ? 2.344 -4.228 2.050 1.00 95.63 16 A 1 ATOM 133 C CB . PHE A 1 16 ? 3.253 -1.224 0.951 1.00 95.50 16 A 1 ATOM 134 C CG . PHE A 1 16 ? 4.354 -1.895 0.172 1.00 91.70 16 A 1 ATOM 135 C CD1 . PHE A 1 16 ? 4.267 -2.027 -1.208 1.00 87.87 16 A 1 ATOM 136 C CD2 . PHE A 1 16 ? 5.475 -2.391 0.830 1.00 88.81 16 A 1 ATOM 137 C CE1 . PHE A 1 16 ? 5.283 -2.646 -1.924 1.00 86.08 16 A 1 ATOM 138 C CE2 . PHE A 1 16 ? 6.494 -3.013 0.116 1.00 86.54 16 A 1 ATOM 139 C CZ . PHE A 1 16 ? 6.399 -3.142 -1.264 1.00 86.28 16 A 1 ATOM 140 N N . ALA A 1 17 ? 1.859 -2.517 3.400 1.00 97.30 17 A 1 ATOM 141 C CA . ALA A 1 17 ? 1.911 -3.339 4.609 1.00 97.15 17 A 1 ATOM 142 C C . ALA A 1 17 ? 0.834 -4.419 4.573 1.00 97.15 17 A 1 ATOM 143 O O . ALA A 1 17 ? 1.098 -5.579 4.887 1.00 96.40 17 A 1 ATOM 144 C CB . ALA A 1 17 ? 1.728 -2.453 5.833 1.00 96.88 17 A 1 ATOM 145 N N . VAL A 1 18 ? -0.368 -4.049 4.180 1.00 96.82 18 A 1 ATOM 146 C CA . VAL A 1 18 ? -1.476 -5.003 4.104 1.00 96.26 18 A 1 ATOM 147 C C . VAL A 1 18 ? -1.185 -6.061 3.049 1.00 96.16 18 A 1 ATOM 148 O O . VAL A 1 18 ? -1.418 -7.249 3.272 1.00 95.50 18 A 1 ATOM 149 C CB . VAL A 1 18 ? -2.787 -4.273 3.781 1.00 95.64 18 A 1 ATOM 150 C CG1 . VAL A 1 18 ? -3.916 -5.269 3.564 1.00 93.06 18 A 1 ATOM 151 C CG2 . VAL A 1 18 ? -3.151 -3.323 4.913 1.00 92.88 18 A 1 ATOM 152 N N . SER A 1 19 ? -0.680 -5.645 1.915 1.00 95.75 19 A 1 ATOM 153 C CA . SER A 1 19 ? -0.366 -6.576 0.830 1.00 95.25 19 A 1 ATOM 154 C C . SER A 1 19 ? 0.697 -7.576 1.264 1.00 95.30 19 A 1 ATOM 155 O O . SER A 1 19 ? 0.622 -8.754 0.928 1.00 94.48 19 A 1 ATOM 156 C CB . SER A 1 19 ? 0.123 -5.805 -0.393 1.00 94.35 19 A 1 ATOM 157 O OG . SER A 1 19 ? -0.921 -5.017 -0.916 1.00 81.87 19 A 1 ATOM 158 N N . THR A 1 20 ? 1.675 -7.119 2.006 1.00 95.65 20 A 1 ATOM 159 C CA . THR A 1 20 ? 2.751 -7.996 2.474 1.00 95.22 20 A 1 ATOM 160 C C . THR A 1 20 ? 2.218 -9.026 3.467 1.00 95.38 20 A 1 ATOM 161 O O . THR A 1 20 ? 2.674 -10.168 3.488 1.00 94.09 20 A 1 ATOM 162 C CB . THR A 1 20 ? 3.850 -7.166 3.139 1.00 93.91 20 A 1 ATOM 163 O OG1 . THR A 1 20 ? 4.323 -6.191 2.216 1.00 85.82 20 A 1 ATOM 164 C CG2 . THR A 1 20 ? 5.017 -8.048 3.541 1.00 84.01 20 A 1 ATOM 165 N N . TYR A 1 21 ? 1.260 -8.631 4.275 1.00 96.24 21 A 1 ATOM 166 C CA . TYR A 1 21 ? 0.692 -9.536 5.275 1.00 95.88 21 A 1 ATOM 167 C C . TYR A 1 21 ? -0.351 -10.470 4.671 1.00 95.96 21 A 1 ATOM 168 O O . TYR A 1 21 ? -0.360 -11.666 4.953 1.00 94.52 21 A 1 ATOM 169 C CB . TYR A 1 21 ? 0.059 -8.713 6.399 1.00 94.86 21 A 1 ATOM 170 C CG . TYR A 1 21 ? 0.869 -8.780 7.677 1.00 90.03 21 A 1 ATOM 171 C CD1 . TYR A 1 21 ? 0.778 -9.886 8.513 1.00 86.50 21 A 1 ATOM 172 C CD2 . TYR A 1 21 ? 1.714 -7.735 8.037 1.00 87.09 21 A 1 ATOM 173 C CE1 . TYR A 1 21 ? 1.519 -9.947 9.686 1.00 86.12 21 A 1 ATOM 174 C CE2 . TYR A 1 21 ? 2.460 -7.790 9.209 1.00 86.74 21 A 1 ATOM 175 C CZ . TYR A 1 21 ? 2.358 -8.898 10.032 1.00 86.95 21 A 1 ATOM 176 O OH . TYR A 1 21 ? 3.086 -8.960 11.194 1.00 84.73 21 A 1 ATOM 177 N N . VAL A 1 22 ? -1.229 -9.928 3.862 1.00 96.20 22 A 1 ATOM 178 C CA . VAL A 1 22 ? -2.305 -10.717 3.260 1.00 95.60 22 A 1 ATOM 179 C C . VAL A 1 22 ? -1.856 -11.388 1.967 1.00 95.34 22 A 1 ATOM 180 O O . VAL A 1 22 ? -2.084 -12.582 1.768 1.00 93.85 22 A 1 ATOM 181 C CB . VAL A 1 22 ? -3.525 -9.829 2.986 1.00 93.98 22 A 1 ATOM 182 C CG1 . VAL A 1 22 ? -4.655 -10.659 2.404 1.00 87.98 22 A 1 ATOM 183 C CG2 . VAL A 1 22 ? -3.982 -9.147 4.267 1.00 88.66 22 A 1 ATOM 184 N N . TYR A 1 23 ? -1.232 -10.614 1.108 1.00 94.66 23 A 1 ATOM 185 C CA . TYR A 1 23 ? -0.804 -11.127 -0.195 1.00 93.50 23 A 1 ATOM 186 C C . TYR A 1 23 ? 0.710 -11.038 -0.331 1.00 93.15 23 A 1 ATOM 187 O O . TYR A 1 23 ? 1.233 -10.055 -0.853 1.00 91.19 23 A 1 ATOM 188 C CB . TYR A 1 23 ? -1.474 -10.320 -1.308 1.00 90.92 23 A 1 ATOM 189 C CG . TYR A 1 23 ? -2.810 -10.883 -1.725 1.00 84.68 23 A 1 ATOM 190 C CD1 . TYR A 1 23 ? -3.740 -11.292 -0.782 1.00 81.52 23 A 1 ATOM 191 C CD2 . TYR A 1 23 ? -3.141 -11.002 -3.073 1.00 80.53 23 A 1 ATOM 192 C CE1 . TYR A 1 23 ? -4.966 -11.808 -1.163 1.00 77.49 23 A 1 ATOM 193 C CE2 . TYR A 1 23 ? -4.364 -11.512 -3.468 1.00 78.16 23 A 1 ATOM 194 C CZ . TYR A 1 23 ? -5.274 -11.912 -2.508 1.00 77.69 23 A 1 ATOM 195 O OH . TYR A 1 23 ? -6.492 -12.423 -2.891 1.00 75.00 23 A 1 ATOM 196 N N . PRO A 1 24 ? 1.436 -12.049 0.114 1.00 92.70 24 A 1 ATOM 197 C CA . PRO A 1 24 ? 2.894 -12.044 -0.021 1.00 91.77 24 A 1 ATOM 198 C C . PRO A 1 24 ? 3.279 -12.145 -1.490 1.00 90.53 24 A 1 ATOM 199 O O . PRO A 1 24 ? 2.904 -13.092 -2.171 1.00 85.18 24 A 1 ATOM 200 C CB . PRO A 1 24 ? 3.337 -13.282 0.748 1.00 88.72 24 A 1 ATOM 201 C CG . PRO A 1 24 ? 2.142 -14.174 0.755 1.00 86.23 24 A 1 ATOM 202 C CD . PRO A 1 24 ? 0.938 -13.262 0.737 1.00 90.19 24 A 1 ATOM 203 N N . ALA A 1 25 ? 4.010 -11.164 -1.961 1.00 85.98 25 A 1 ATOM 204 C CA . ALA A 1 25 ? 4.412 -11.121 -3.367 1.00 83.93 25 A 1 ATOM 205 C C . ALA A 1 25 ? 5.370 -12.270 -3.685 1.00 82.00 25 A 1 ATOM 206 O O . ALA A 1 25 ? 6.562 -12.062 -3.884 1.00 78.23 25 A 1 ATOM 207 C CB . ALA A 1 25 ? 5.059 -9.775 -3.682 1.00 80.83 25 A 1 ATOM 208 N N . SER A 1 26 ? 4.822 -13.478 -3.729 1.00 83.10 26 A 1 ATOM 209 C CA . SER A 1 26 ? 5.608 -14.685 -4.020 1.00 79.81 26 A 1 ATOM 210 C C . SER A 1 26 ? 6.852 -14.768 -3.143 1.00 78.63 26 A 1 ATOM 211 O O . SER A 1 26 ? 7.972 -14.577 -3.616 1.00 73.19 26 A 1 ATOM 212 C CB . SER A 1 26 ? 6.010 -14.695 -5.498 1.00 75.58 26 A 1 ATOM 213 O OG . SER A 1 26 ? 6.888 -13.639 -5.816 1.00 66.95 26 A 1 ATOM 214 N N . SER A 1 27 ? 6.625 -15.073 -1.864 1.00 80.45 27 A 1 ATOM 215 C CA . SER A 1 27 ? 7.759 -15.186 -0.942 1.00 77.40 27 A 1 ATOM 216 C C . SER A 1 27 ? 8.332 -16.604 -0.970 1.00 71.83 27 A 1 ATOM 217 O O . SER A 1 27 ? 8.624 -17.175 0.084 1.00 64.71 27 A 1 ATOM 218 C CB . SER A 1 27 ? 7.318 -14.817 0.466 1.00 69.80 27 A 1 ATOM 219 O OG . SER A 1 27 ? 6.324 -15.699 0.920 1.00 62.97 27 A 1 ATOM 220 O OXT . SER A 1 27 ? 8.494 -17.164 -2.062 1.00 63.31 27 A 1 #