# 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_spkb38349 # _entry.id spkb38349 # 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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 ALA 2 1 n LEU 3 1 n LYS 4 1 n LEU 5 1 n VAL 6 1 n LEU 7 1 n MET 8 1 n LEU 9 1 n MET 10 1 n VAL 11 1 n ALA 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n ALA 16 1 n VAL 17 1 n TRP 18 1 n SER 19 1 n PRO 20 1 n PRO 21 1 n ALA 22 1 n VAL 23 1 n THR 24 1 n ALA 25 # _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 @ 2025-07-07 23:35:59)" _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 91.58 _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 83.62 1 1 A ALA 2 2 96.70 1 2 A LEU 3 2 93.57 1 3 A LYS 4 2 91.28 1 4 A LEU 5 2 94.41 1 5 A VAL 6 2 97.28 1 6 A LEU 7 2 95.11 1 7 A MET 8 2 92.91 1 8 A LEU 9 2 96.07 1 9 A MET 10 2 93.43 1 10 A VAL 11 2 97.63 1 11 A ALA 12 2 98.14 1 12 A LEU 13 2 94.95 1 13 A LEU 14 2 94.86 1 14 A ALA 15 2 96.77 1 15 A ALA 16 2 95.80 1 16 A VAL 17 2 93.76 1 17 A TRP 18 2 87.97 1 18 A SER 19 2 90.72 1 19 A PRO 20 2 89.69 1 20 A PRO 21 2 89.73 1 21 A ALA 22 2 85.90 1 22 A VAL 23 2 83.05 1 23 A THR 24 2 80.82 1 24 A ALA 25 2 79.52 1 25 # _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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n TRP . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n PRO . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -4.379 21.936 8.125 1.00 90.28 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.109 20.496 7.930 1.00 91.40 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.589 20.067 6.550 1.00 92.59 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.689 20.427 6.142 1.00 90.51 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.823 19.679 9.002 1.00 85.42 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.282 19.987 10.400 1.00 79.34 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.966 18.868 10.868 1.00 74.92 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.406 19.643 12.383 1.00 64.52 1 A 1 ATOM 9 N N . ALA A 1 2 ? -3.776 19.312 5.851 1.00 96.08 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -4.119 18.850 4.513 1.00 97.18 2 A 1 ATOM 11 C C . ALA A 1 2 ? -4.474 17.364 4.549 1.00 97.65 2 A 1 ATOM 12 O O . ALA A 1 2 ? -3.668 16.542 4.989 1.00 96.58 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -2.960 19.107 3.553 1.00 96.00 2 A 1 ATOM 14 N N . LEU A 1 3 ? -5.683 17.038 4.085 1.00 97.73 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -6.131 15.645 4.025 1.00 97.72 3 A 1 ATOM 16 C C . LEU A 1 3 ? -5.269 14.839 3.059 1.00 97.95 3 A 1 ATOM 17 O O . LEU A 1 3 ? -5.107 13.627 3.215 1.00 97.35 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -7.593 15.608 3.585 1.00 97.12 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -8.307 14.326 4.007 1.00 89.43 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -8.992 14.526 5.357 1.00 86.59 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -9.319 13.916 2.957 1.00 84.68 3 A 1 ATOM 22 N N . LYS A 1 4 ? -4.715 15.519 2.060 1.00 97.52 4 A 1 ATOM 23 C CA . LYS A 1 4 ? -3.860 14.888 1.053 1.00 97.55 4 A 1 ATOM 24 C C . LYS A 1 4 ? -2.647 14.224 1.704 1.00 97.49 4 A 1 ATOM 25 O O . LYS A 1 4 ? -2.225 13.149 1.279 1.00 97.44 4 A 1 ATOM 26 C CB . LYS A 1 4 ? -3.418 15.934 0.032 1.00 97.40 4 A 1 ATOM 27 C CG . LYS A 1 4 ? -2.866 15.294 -1.234 1.00 91.87 4 A 1 ATOM 28 C CD . LYS A 1 4 ? -2.560 16.344 -2.307 1.00 87.14 4 A 1 ATOM 29 C CE . LYS A 1 4 ? -1.152 16.884 -2.153 1.00 81.02 4 A 1 ATOM 30 N NZ . LYS A 1 4 ? -0.760 17.717 -3.334 1.00 74.08 4 A 1 ATOM 31 N N . LEU A 1 5 ? -2.105 14.846 2.744 1.00 97.52 5 A 1 ATOM 32 C CA . LEU A 1 5 ? -0.941 14.300 3.441 1.00 97.49 5 A 1 ATOM 33 C C . LEU A 1 5 ? -1.271 12.968 4.100 1.00 97.76 5 A 1 ATOM 34 O O . LEU A 1 5 ? -0.488 12.019 4.021 1.00 97.38 5 A 1 ATOM 35 C CB . LEU A 1 5 ? -0.453 15.307 4.488 1.00 97.29 5 A 1 ATOM 36 C CG . LEU A 1 5 ? 0.546 16.324 3.928 1.00 91.02 5 A 1 ATOM 37 C CD1 . LEU A 1 5 ? 0.492 17.625 4.715 1.00 88.33 5 A 1 ATOM 38 C CD2 . LEU A 1 5 ? 1.956 15.744 3.982 1.00 88.47 5 A 1 ATOM 39 N N . VAL A 1 6 ? -2.438 12.898 4.729 1.00 98.10 6 A 1 ATOM 40 C CA . VAL A 1 6 ? -2.874 11.663 5.387 1.00 98.04 6 A 1 ATOM 41 C C . VAL A 1 6 ? -3.099 10.563 4.357 1.00 98.15 6 A 1 ATOM 42 O O . VAL A 1 6 ? -2.683 9.420 4.554 1.00 97.70 6 A 1 ATOM 43 C CB . VAL A 1 6 ? -4.153 11.903 6.205 1.00 97.68 6 A 1 ATOM 44 C CG1 . VAL A 1 6 ? -4.590 10.626 6.912 1.00 95.84 6 A 1 ATOM 45 C CG2 . VAL A 1 6 ? -3.930 13.009 7.229 1.00 95.42 6 A 1 ATOM 46 N N . LEU A 1 7 ? -3.747 10.923 3.255 1.00 98.05 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -4.004 9.962 2.184 1.00 98.02 7 A 1 ATOM 48 C C . LEU A 1 7 ? -2.699 9.468 1.570 1.00 98.21 7 A 1 ATOM 49 O O . LEU A 1 7 ? -2.544 8.277 1.296 1.00 98.17 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -4.886 10.619 1.118 1.00 97.81 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -6.377 10.356 1.351 1.00 91.09 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -7.214 11.553 0.939 1.00 89.41 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -6.806 9.120 0.568 1.00 90.15 7 A 1 ATOM 54 N N . MET A 1 8 ? -1.762 10.371 1.369 1.00 97.94 8 A 1 ATOM 55 C CA . MET A 1 8 ? -0.454 10.014 0.810 1.00 97.89 8 A 1 ATOM 56 C C . MET A 1 8 ? 0.282 9.047 1.734 1.00 98.15 8 A 1 ATOM 57 O O . MET A 1 8 ? 0.938 8.116 1.272 1.00 97.74 8 A 1 ATOM 58 C CB . MET A 1 8 ? 0.377 11.282 0.598 1.00 97.51 8 A 1 ATOM 59 C CG . MET A 1 8 ? -0.083 12.049 -0.637 1.00 93.49 8 A 1 ATOM 60 S SD . MET A 1 8 ? 1.123 11.999 -1.968 1.00 84.89 8 A 1 ATOM 61 C CE . MET A 1 8 ? 0.073 11.540 -3.337 1.00 75.67 8 A 1 ATOM 62 N N . LEU A 1 9 ? 0.150 9.265 3.028 1.00 98.33 9 A 1 ATOM 63 C CA . LEU A 1 9 ? 0.783 8.386 4.008 1.00 98.39 9 A 1 ATOM 64 C C . LEU A 1 9 ? 0.190 6.982 3.930 1.00 98.54 9 A 1 ATOM 65 O O . LEU A 1 9 ? 0.917 5.987 3.979 1.00 98.43 9 A 1 ATOM 66 C CB . LEU A 1 9 ? 0.594 8.962 5.416 1.00 98.24 9 A 1 ATOM 67 C CG . LEU A 1 9 ? 1.747 8.614 6.364 1.00 93.91 9 A 1 ATOM 68 C CD1 . LEU A 1 9 ? 2.763 9.753 6.418 1.00 91.08 9 A 1 ATOM 69 C CD2 . LEU A 1 9 ? 1.227 8.324 7.760 1.00 91.62 9 A 1 ATOM 70 N N . MET A 1 10 ? -1.124 6.902 3.803 1.00 98.18 10 A 1 ATOM 71 C CA . MET A 1 10 ? -1.809 5.612 3.698 1.00 98.12 10 A 1 ATOM 72 C C . MET A 1 10 ? -1.381 4.873 2.434 1.00 98.26 10 A 1 ATOM 73 O O . MET A 1 10 ? -1.144 3.664 2.459 1.00 97.98 10 A 1 ATOM 74 C CB . MET A 1 10 ? -3.326 5.829 3.701 1.00 97.80 10 A 1 ATOM 75 C CG . MET A 1 10 ? -3.837 6.252 5.073 1.00 94.16 10 A 1 ATOM 76 S SD . MET A 1 10 ? -5.355 5.406 5.535 1.00 86.13 10 A 1 ATOM 77 C CE . MET A 1 10 ? -4.781 4.501 6.972 1.00 76.84 10 A 1 ATOM 78 N N . VAL A 1 11 ? -1.286 5.598 1.338 1.00 98.38 11 A 1 ATOM 79 C CA . VAL A 1 11 ? -0.871 5.006 0.064 1.00 98.34 11 A 1 ATOM 80 C C . VAL A 1 11 ? 0.570 4.513 0.161 1.00 98.37 11 A 1 ATOM 81 O O . VAL A 1 11 ? 0.900 3.433 -0.338 1.00 98.14 11 A 1 ATOM 82 C CB . VAL A 1 11 ? -1.023 6.024 -1.080 1.00 98.03 11 A 1 ATOM 83 C CG1 . VAL A 1 11 ? -0.459 5.467 -2.386 1.00 96.27 11 A 1 ATOM 84 C CG2 . VAL A 1 11 ? -2.490 6.387 -1.274 1.00 95.89 11 A 1 ATOM 85 N N . ALA A 1 12 ? 1.417 5.291 0.799 1.00 98.34 12 A 1 ATOM 86 C CA . ALA A 1 12 ? 2.818 4.915 0.973 1.00 98.27 12 A 1 ATOM 87 C C . ALA A 1 12 ? 2.938 3.649 1.820 1.00 98.25 12 A 1 ATOM 88 O O . ALA A 1 12 ? 3.774 2.789 1.544 1.00 97.71 12 A 1 ATOM 89 C CB . ALA A 1 12 ? 3.581 6.069 1.623 1.00 98.13 12 A 1 ATOM 90 N N . LEU A 1 13 ? 2.092 3.532 2.838 1.00 97.97 13 A 1 ATOM 91 C CA . LEU A 1 13 ? 2.089 2.355 3.703 1.00 97.73 13 A 1 ATOM 92 C C . LEU A 1 13 ? 1.672 1.118 2.917 1.00 97.70 13 A 1 ATOM 93 O O . LEU A 1 13 ? 2.288 0.056 3.041 1.00 97.32 13 A 1 ATOM 94 C CB . LEU A 1 13 ? 1.136 2.579 4.885 1.00 97.52 13 A 1 ATOM 95 C CG . LEU A 1 13 ? 1.631 1.944 6.187 1.00 92.01 13 A 1 ATOM 96 C CD1 . LEU A 1 13 ? 2.042 3.019 7.189 1.00 89.47 13 A 1 ATOM 97 C CD2 . LEU A 1 13 ? 0.568 1.051 6.798 1.00 89.92 13 A 1 ATOM 98 N N . LEU A 1 14 ? 0.633 1.257 2.107 1.00 97.65 14 A 1 ATOM 99 C CA . LEU A 1 14 ? 0.156 0.150 1.276 1.00 97.15 14 A 1 ATOM 100 C C . LEU A 1 14 ? 1.237 -0.293 0.301 1.00 97.03 14 A 1 ATOM 101 O O . LEU A 1 14 ? 1.460 -1.492 0.112 1.00 96.77 14 A 1 ATOM 102 C CB . LEU A 1 14 ? -1.107 0.589 0.525 1.00 96.79 14 A 1 ATOM 103 C CG . LEU A 1 14 ? -2.398 0.090 1.187 1.00 92.53 14 A 1 ATOM 104 C CD1 . LEU A 1 14 ? -3.514 1.108 1.052 1.00 90.16 14 A 1 ATOM 105 C CD2 . LEU A 1 14 ? -2.814 -1.237 0.572 1.00 90.76 14 A 1 ATOM 106 N N . ALA A 1 15 ? 1.909 0.667 -0.305 1.00 97.48 15 A 1 ATOM 107 C CA . ALA A 1 15 ? 2.987 0.366 -1.244 1.00 96.99 15 A 1 ATOM 108 C C . ALA A 1 15 ? 4.140 -0.344 -0.537 1.00 96.96 15 A 1 ATOM 109 O O . ALA A 1 15 ? 4.761 -1.243 -1.105 1.00 95.92 15 A 1 ATOM 110 C CB . ALA A 1 15 ? 3.471 1.659 -1.894 1.00 96.49 15 A 1 ATOM 111 N N . ALA A 1 16 ? 4.416 0.044 0.694 1.00 96.73 16 A 1 ATOM 112 C CA . ALA A 1 16 ? 5.479 -0.576 1.481 1.00 96.19 16 A 1 ATOM 113 C C . ALA A 1 16 ? 5.133 -2.023 1.822 1.00 96.29 16 A 1 ATOM 114 O O . ALA A 1 16 ? 6.010 -2.886 1.840 1.00 94.32 16 A 1 ATOM 115 C CB . ALA A 1 16 ? 5.718 0.231 2.755 1.00 95.48 16 A 1 ATOM 116 N N . VAL A 1 17 ? 3.859 -2.294 2.087 1.00 96.16 17 A 1 ATOM 117 C CA . VAL A 1 17 ? 3.400 -3.653 2.401 1.00 95.42 17 A 1 ATOM 118 C C . VAL A 1 17 ? 3.494 -4.541 1.162 1.00 95.16 17 A 1 ATOM 119 O O . VAL A 1 17 ? 3.737 -5.745 1.267 1.00 93.25 17 A 1 ATOM 120 C CB . VAL A 1 17 ? 1.959 -3.627 2.946 1.00 94.45 17 A 1 ATOM 121 C CG1 . VAL A 1 17 ? 1.414 -5.040 3.132 1.00 91.05 17 A 1 ATOM 122 C CG2 . VAL A 1 17 ? 1.903 -2.895 4.278 1.00 90.84 17 A 1 ATOM 123 N N . TRP A 1 18 ? 3.301 -3.955 -0.017 1.00 95.08 18 A 1 ATOM 124 C CA . TRP A 1 18 ? 3.375 -4.701 -1.271 1.00 94.16 18 A 1 ATOM 125 C C . TRP A 1 18 ? 4.820 -4.900 -1.723 1.00 94.24 18 A 1 ATOM 126 O O . TRP A 1 18 ? 5.079 -5.691 -2.626 1.00 92.55 18 A 1 ATOM 127 C CB . TRP A 1 18 ? 2.566 -3.974 -2.348 1.00 92.86 18 A 1 ATOM 128 C CG . TRP A 1 18 ? 1.113 -4.345 -2.328 1.00 89.21 18 A 1 ATOM 129 C CD1 . TRP A 1 18 ? 0.206 -4.025 -1.370 1.00 85.39 18 A 1 ATOM 130 C CD2 . TRP A 1 18 ? 0.393 -5.123 -3.318 1.00 88.37 18 A 1 ATOM 131 N NE1 . TRP A 1 18 ? -1.028 -4.549 -1.697 1.00 84.62 18 A 1 ATOM 132 C CE2 . TRP A 1 18 ? -0.945 -5.229 -2.894 1.00 87.50 18 A 1 ATOM 133 C CE3 . TRP A 1 18 ? 0.763 -5.732 -4.526 1.00 83.39 18 A 1 ATOM 134 C CZ2 . TRP A 1 18 ? -1.914 -5.918 -3.634 1.00 84.38 18 A 1 ATOM 135 C CZ3 . TRP A 1 18 ? -0.202 -6.421 -5.263 1.00 79.58 18 A 1 ATOM 136 C CH2 . TRP A 1 18 ? -1.527 -6.510 -4.812 1.00 80.30 18 A 1 ATOM 137 N N . SER A 1 19 ? 5.757 -4.201 -1.098 1.00 94.46 19 A 1 ATOM 138 C CA . SER A 1 19 ? 7.178 -4.351 -1.421 1.00 93.76 19 A 1 ATOM 139 C C . SER A 1 19 ? 7.652 -5.782 -1.160 1.00 93.57 19 A 1 ATOM 140 O O . SER A 1 19 ? 8.259 -6.406 -2.036 1.00 90.86 19 A 1 ATOM 141 C CB . SER A 1 19 ? 8.019 -3.359 -0.618 1.00 91.64 19 A 1 ATOM 142 O OG . SER A 1 19 ? 8.125 -2.124 -1.287 1.00 80.05 19 A 1 ATOM 143 N N . PRO A 1 20 ? 7.378 -6.323 0.046 1.00 92.63 20 A 1 ATOM 144 C CA . PRO A 1 20 ? 7.758 -7.700 0.356 1.00 91.30 20 A 1 ATOM 145 C C . PRO A 1 20 ? 6.884 -8.688 -0.419 1.00 91.86 20 A 1 ATOM 146 O O . PRO A 1 20 ? 5.850 -8.320 -0.980 1.00 88.18 20 A 1 ATOM 147 C CB . PRO A 1 20 ? 7.538 -7.825 1.873 1.00 88.01 20 A 1 ATOM 148 C CG . PRO A 1 20 ? 6.762 -6.636 2.315 1.00 86.04 20 A 1 ATOM 149 C CD . PRO A 1 20 ? 6.787 -5.626 1.193 1.00 89.80 20 A 1 ATOM 150 N N . PRO A 1 21 ? 7.287 -9.962 -0.453 1.00 92.60 21 A 1 ATOM 151 C CA . PRO A 1 21 ? 6.522 -10.973 -1.181 1.00 91.38 21 A 1 ATOM 152 C C . PRO A 1 21 ? 5.101 -11.095 -0.648 1.00 91.28 21 A 1 ATOM 153 O O . PRO A 1 21 ? 4.879 -11.191 0.561 1.00 86.89 21 A 1 ATOM 154 C CB . PRO A 1 21 ? 7.311 -12.269 -0.976 1.00 88.37 21 A 1 ATOM 155 C CG . PRO A 1 21 ? 8.246 -12.008 0.159 1.00 86.90 21 A 1 ATOM 156 C CD . PRO A 1 21 ? 8.472 -10.512 0.191 1.00 90.71 21 A 1 ATOM 157 N N . ALA A 1 22 ? 4.133 -11.105 -1.565 1.00 87.41 22 A 1 ATOM 158 C CA . ALA A 1 22 ? 2.730 -11.236 -1.178 1.00 86.48 22 A 1 ATOM 159 C C . ALA A 1 22 ? 2.453 -12.643 -0.660 1.00 87.26 22 A 1 ATOM 160 O O . ALA A 1 22 ? 1.738 -12.832 0.322 1.00 84.68 22 A 1 ATOM 161 C CB . ALA A 1 22 ? 1.827 -10.916 -2.364 1.00 83.66 22 A 1 ATOM 162 N N . VAL A 1 23 ? 3.045 -13.633 -1.326 1.00 87.25 23 A 1 ATOM 163 C CA . VAL A 1 23 ? 2.886 -15.032 -0.938 1.00 86.48 23 A 1 ATOM 164 C C . VAL A 1 23 ? 3.950 -15.404 0.093 1.00 87.00 23 A 1 ATOM 165 O O . VAL A 1 23 ? 5.025 -14.814 0.125 1.00 82.76 23 A 1 ATOM 166 C CB . VAL A 1 23 ? 2.974 -15.941 -2.173 1.00 83.81 23 A 1 ATOM 167 C CG1 . VAL A 1 23 ? 2.551 -17.365 -1.822 1.00 76.22 23 A 1 ATOM 168 C CG2 . VAL A 1 23 ? 2.084 -15.406 -3.289 1.00 77.84 23 A 1 ATOM 169 N N . THR A 1 24 ? 3.628 -16.375 0.924 1.00 85.50 24 A 1 ATOM 170 C CA . THR A 1 24 ? 4.560 -16.821 1.964 1.00 84.19 24 A 1 ATOM 171 C C . THR A 1 24 ? 5.860 -17.352 1.355 1.00 83.89 24 A 1 ATOM 172 O O . THR A 1 24 ? 6.927 -17.235 1.959 1.00 80.91 24 A 1 ATOM 173 C CB . THR A 1 24 ? 3.893 -17.885 2.846 1.00 82.12 24 A 1 ATOM 174 O OG1 . THR A 1 24 ? 4.784 -18.244 3.895 1.00 75.61 24 A 1 ATOM 175 C CG2 . THR A 1 24 ? 3.521 -19.136 2.071 1.00 73.54 24 A 1 ATOM 176 N N . ALA A 1 25 ? 5.773 -17.914 0.164 1.00 85.89 25 A 1 ATOM 177 C CA . ALA A 1 25 ? 6.935 -18.443 -0.528 1.00 83.88 25 A 1 ATOM 178 C C . ALA A 1 25 ? 6.837 -18.198 -2.030 1.00 81.32 25 A 1 ATOM 179 O O . ALA A 1 25 ? 5.740 -18.313 -2.584 1.00 76.48 25 A 1 ATOM 180 C CB . ALA A 1 25 ? 7.076 -19.935 -0.233 1.00 78.21 25 A 1 ATOM 181 O OXT . ALA A 1 25 ? 7.859 -17.905 -2.653 1.00 71.37 25 A 1 #