# 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_spkb12913 # _entry.id spkb12913 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 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" "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" "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 LEU 2 1 n LEU 3 1 n LEU 4 1 n LEU 5 1 n ALA 6 1 n ARG 7 1 n CYS 8 1 n PHE 9 1 n LEU 10 1 n VAL 11 1 n ILE 12 1 n LEU 13 1 n ALA 14 1 n SER 15 1 n SER 16 1 n LEU 17 1 n LEU 18 1 n VAL 19 1 n CYS 20 1 n PRO 21 1 n GLY 22 1 n LEU 23 1 n ALA 24 # _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 03:12:43)" _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 87.28 _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 82.14 1 1 A LEU 2 2 87.65 1 2 A LEU 3 2 88.42 1 3 A LEU 4 2 88.79 1 4 A LEU 5 2 89.81 1 5 A ALA 6 2 96.34 1 6 A ARG 7 2 84.76 1 7 A CYS 8 2 94.18 1 8 A PHE 9 2 88.01 1 9 A LEU 10 2 91.24 1 10 A VAL 11 2 93.63 1 11 A ILE 12 2 92.50 1 12 A LEU 13 2 90.22 1 13 A ALA 14 2 93.65 1 14 A SER 15 2 91.00 1 15 A SER 16 2 90.17 1 16 A LEU 17 2 89.07 1 17 A LEU 18 2 88.29 1 18 A VAL 19 2 88.59 1 19 A CYS 20 2 85.27 1 20 A PRO 21 2 83.31 1 21 A GLY 22 2 79.14 1 22 A LEU 23 2 72.83 1 23 A ALA 24 2 66.09 1 24 # _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 LEU . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n CYS . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? -0.307 -4.712 16.659 1.00 88.46 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.680 -4.839 15.569 1.00 89.78 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.001 -5.163 14.235 1.00 91.05 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.376 -4.607 13.209 1.00 88.69 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.727 -5.907 15.915 1.00 83.84 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.435 -5.597 17.250 1.00 78.13 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.133 -3.944 17.280 1.00 72.76 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.697 -3.865 18.981 1.00 64.38 1 A 1 ATOM 9 N N . LEU A 1 2 ? -1.008 -6.032 14.265 1.00 92.51 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -1.760 -6.383 13.048 1.00 93.03 2 A 1 ATOM 11 C C . LEU A 1 2 ? -2.462 -5.165 12.447 1.00 94.46 2 A 1 ATOM 12 O O . LEU A 1 2 ? -2.516 -5.019 11.224 1.00 92.85 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -2.784 -7.475 13.382 1.00 91.53 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -2.170 -8.867 13.501 1.00 81.85 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -3.099 -9.783 14.283 1.00 78.22 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -1.914 -9.455 12.117 1.00 76.77 2 A 1 ATOM 17 N N . LEU A 1 3 ? -2.970 -4.288 13.300 1.00 93.03 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -3.635 -3.063 12.845 1.00 92.59 3 A 1 ATOM 19 C C . LEU A 1 3 ? -2.664 -2.158 12.089 1.00 93.97 3 A 1 ATOM 20 O O . LEU A 1 3 ? -3.023 -1.573 11.065 1.00 92.37 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -4.228 -2.331 14.055 1.00 91.83 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -5.491 -2.995 14.604 1.00 84.37 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -5.728 -2.560 16.046 1.00 79.84 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -6.701 -2.619 13.756 1.00 79.32 3 A 1 ATOM 25 N N . LEU A 1 4 ? -1.438 -2.074 12.573 1.00 93.51 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -0.401 -1.278 11.915 1.00 93.40 4 A 1 ATOM 27 C C . LEU A 1 4 ? -0.042 -1.881 10.558 1.00 94.58 4 A 1 ATOM 28 O O . LEU A 1 4 ? 0.114 -1.155 9.575 1.00 93.89 4 A 1 ATOM 29 C CB . LEU A 1 4 ? 0.833 -1.204 12.820 1.00 92.85 4 A 1 ATOM 30 C CG . LEU A 1 4 ? 0.648 -0.268 14.017 1.00 83.01 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? 1.646 -0.608 15.116 1.00 79.35 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? 0.844 1.184 13.589 1.00 79.75 4 A 1 ATOM 33 N N . LEU A 1 5 ? 0.059 -3.204 10.506 1.00 95.48 5 A 1 ATOM 34 C CA . LEU A 1 5 ? 0.346 -3.918 9.261 1.00 94.81 5 A 1 ATOM 35 C C . LEU A 1 5 ? -0.772 -3.712 8.242 1.00 95.14 5 A 1 ATOM 36 O O . LEU A 1 5 ? -0.507 -3.418 7.074 1.00 94.22 5 A 1 ATOM 37 C CB . LEU A 1 5 ? 0.537 -5.408 9.570 1.00 94.05 5 A 1 ATOM 38 C CG . LEU A 1 5 ? 2.006 -5.830 9.541 1.00 84.33 5 A 1 ATOM 39 C CD1 . LEU A 1 5 ? 2.216 -7.077 10.398 1.00 80.36 5 A 1 ATOM 40 C CD2 . LEU A 1 5 ? 2.450 -6.110 8.116 1.00 80.07 5 A 1 ATOM 41 N N . ALA A 1 6 ? -2.014 -3.836 8.692 1.00 96.99 6 A 1 ATOM 42 C CA . ALA A 1 6 ? -3.175 -3.637 7.825 1.00 96.69 6 A 1 ATOM 43 C C . ALA A 1 6 ? -3.216 -2.207 7.284 1.00 96.53 6 A 1 ATOM 44 O O . ALA A 1 6 ? -3.475 -1.990 6.099 1.00 95.27 6 A 1 ATOM 45 C CB . ALA A 1 6 ? -4.447 -3.963 8.607 1.00 96.23 6 A 1 ATOM 46 N N . ARG A 1 7 ? -2.926 -1.240 8.149 1.00 95.51 7 A 1 ATOM 47 C CA . ARG A 1 7 ? -2.895 0.165 7.749 1.00 95.17 7 A 1 ATOM 48 C C . ARG A 1 7 ? -1.778 0.420 6.742 1.00 95.81 7 A 1 ATOM 49 O O . ARG A 1 7 ? -1.984 1.110 5.748 1.00 93.89 7 A 1 ATOM 50 C CB . ARG A 1 7 ? -2.738 1.047 8.984 1.00 94.03 7 A 1 ATOM 51 C CG . ARG A 1 7 ? -3.478 2.359 8.819 1.00 86.07 7 A 1 ATOM 52 C CD . ARG A 1 7 ? -3.794 2.968 10.191 1.00 82.79 7 A 1 ATOM 53 N NE . ARG A 1 7 ? -2.627 3.679 10.742 1.00 77.89 7 A 1 ATOM 54 C CZ . ARG A 1 7 ? -2.368 4.969 10.573 1.00 74.60 7 A 1 ATOM 55 N NH1 . ARG A 1 7 ? -3.141 5.748 9.846 1.00 68.23 7 A 1 ATOM 56 N NH2 . ARG A 1 7 ? -1.310 5.501 11.142 1.00 68.35 7 A 1 ATOM 57 N N . CYS A 1 8 ? -0.626 -0.168 6.988 1.00 95.85 8 A 1 ATOM 58 C CA . CYS A 1 8 ? 0.517 -0.053 6.081 1.00 95.91 8 A 1 ATOM 59 C C . CYS A 1 8 ? 0.186 -0.670 4.719 1.00 95.92 8 A 1 ATOM 60 O O . CYS A 1 8 ? 0.502 -0.099 3.675 1.00 94.35 8 A 1 ATOM 61 C CB . CYS A 1 8 ? 1.727 -0.736 6.719 1.00 94.95 8 A 1 ATOM 62 S SG . CYS A 1 8 ? 3.268 -0.143 5.984 1.00 88.08 8 A 1 ATOM 63 N N . PHE A 1 9 ? -0.475 -1.811 4.739 1.00 92.99 9 A 1 ATOM 64 C CA . PHE A 1 9 ? -0.885 -2.491 3.512 1.00 92.20 9 A 1 ATOM 65 C C . PHE A 1 9 ? -1.850 -1.629 2.693 1.00 93.00 9 A 1 ATOM 66 O O . PHE A 1 9 ? -1.719 -1.531 1.469 1.00 92.27 9 A 1 ATOM 67 C CB . PHE A 1 9 ? -1.529 -3.829 3.880 1.00 92.35 9 A 1 ATOM 68 C CG . PHE A 1 9 ? -1.724 -4.725 2.681 1.00 88.79 9 A 1 ATOM 69 C CD1 . PHE A 1 9 ? -0.635 -5.386 2.110 1.00 84.42 9 A 1 ATOM 70 C CD2 . PHE A 1 9 ? -2.991 -4.895 2.132 1.00 84.29 9 A 1 ATOM 71 C CE1 . PHE A 1 9 ? -0.815 -6.208 1.000 1.00 81.91 9 A 1 ATOM 72 C CE2 . PHE A 1 9 ? -3.172 -5.718 1.015 1.00 82.32 9 A 1 ATOM 73 C CZ . PHE A 1 9 ? -2.084 -6.373 0.449 1.00 83.58 9 A 1 ATOM 74 N N . LEU A 1 10 ? -2.779 -0.981 3.368 1.00 95.16 10 A 1 ATOM 75 C CA . LEU A 1 10 ? -3.718 -0.071 2.706 1.00 94.95 10 A 1 ATOM 76 C C . LEU A 1 10 ? -2.984 1.107 2.068 1.00 95.42 10 A 1 ATOM 77 O O . LEU A 1 10 ? -3.328 1.520 0.955 1.00 94.58 10 A 1 ATOM 78 C CB . LEU A 1 10 ? -4.742 0.429 3.729 1.00 94.48 10 A 1 ATOM 79 C CG . LEU A 1 10 ? -5.837 -0.589 4.044 1.00 86.22 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? -6.556 -0.205 5.329 1.00 84.24 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? -6.851 -0.660 2.901 1.00 84.89 10 A 1 ATOM 82 N N . VAL A 1 11 ? -1.982 1.612 2.746 1.00 95.71 11 A 1 ATOM 83 C CA . VAL A 1 11 ? -1.167 2.713 2.221 1.00 95.00 11 A 1 ATOM 84 C C . VAL A 1 11 ? -0.411 2.262 0.970 1.00 95.21 11 A 1 ATOM 85 O O . VAL A 1 11 ? -0.345 3.000 -0.014 1.00 94.10 11 A 1 ATOM 86 C CB . VAL A 1 11 ? -0.202 3.236 3.296 1.00 94.13 11 A 1 ATOM 87 C CG1 . VAL A 1 11 ? 0.753 4.286 2.734 1.00 90.64 11 A 1 ATOM 88 C CG2 . VAL A 1 11 ? -0.977 3.855 4.453 1.00 90.64 11 A 1 ATOM 89 N N . ILE A 1 12 ? 0.130 1.059 1.000 1.00 94.63 12 A 1 ATOM 90 C CA . ILE A 1 12 ? 0.850 0.502 -0.152 1.00 94.01 12 A 1 ATOM 91 C C . ILE A 1 12 ? -0.104 0.348 -1.342 1.00 93.92 12 A 1 ATOM 92 O O . ILE A 1 12 ? 0.250 0.699 -2.474 1.00 93.06 12 A 1 ATOM 93 C CB . ILE A 1 12 ? 1.509 -0.843 0.219 1.00 94.00 12 A 1 ATOM 94 C CG1 . ILE A 1 12 ? 2.632 -0.635 1.243 1.00 92.27 12 A 1 ATOM 95 C CG2 . ILE A 1 12 ? 2.081 -1.529 -1.033 1.00 91.59 12 A 1 ATOM 96 C CD1 . ILE A 1 12 ? 2.990 -1.903 2.008 1.00 86.48 12 A 1 ATOM 97 N N . LEU A 1 13 ? -1.298 -0.141 -1.085 1.00 94.17 13 A 1 ATOM 98 C CA . LEU A 1 13 ? -2.318 -0.283 -2.125 1.00 93.30 13 A 1 ATOM 99 C C . LEU A 1 13 ? -2.683 1.070 -2.731 1.00 93.44 13 A 1 ATOM 100 O O . LEU A 1 13 ? -2.741 1.212 -3.958 1.00 92.64 13 A 1 ATOM 101 C CB . LEU A 1 13 ? -3.562 -0.949 -1.522 1.00 92.68 13 A 1 ATOM 102 C CG . LEU A 1 13 ? -3.568 -2.467 -1.699 1.00 87.06 13 A 1 ATOM 103 C CD1 . LEU A 1 13 ? -4.494 -3.104 -0.675 1.00 84.20 13 A 1 ATOM 104 C CD2 . LEU A 1 13 ? -4.026 -2.835 -3.104 1.00 84.29 13 A 1 ATOM 105 N N . ALA A 1 14 ? -2.896 2.052 -1.882 1.00 94.52 14 A 1 ATOM 106 C CA . ALA A 1 14 ? -3.207 3.407 -2.333 1.00 93.90 14 A 1 ATOM 107 C C . ALA A 1 14 ? -2.051 3.989 -3.144 1.00 94.06 14 A 1 ATOM 108 O O . ALA A 1 14 ? -2.272 4.651 -4.159 1.00 92.58 14 A 1 ATOM 109 C CB . ALA A 1 14 ? -3.516 4.278 -1.119 1.00 93.18 14 A 1 ATOM 110 N N . SER A 1 15 ? -0.831 3.714 -2.722 1.00 93.93 15 A 1 ATOM 111 C CA . SER A 1 15 ? 0.370 4.159 -3.426 1.00 93.32 15 A 1 ATOM 112 C C . SER A 1 15 ? 0.450 3.526 -4.814 1.00 93.31 15 A 1 ATOM 113 O O . SER A 1 15 ? 0.766 4.199 -5.793 1.00 90.73 15 A 1 ATOM 114 C CB . SER A 1 15 ? 1.608 3.804 -2.607 1.00 91.58 15 A 1 ATOM 115 O OG . SER A 1 15 ? 2.462 4.908 -2.491 1.00 83.13 15 A 1 ATOM 116 N N . SER A 1 16 ? 0.131 2.242 -4.907 1.00 92.97 16 A 1 ATOM 117 C CA . SER A 1 16 ? 0.127 1.516 -6.178 1.00 92.54 16 A 1 ATOM 118 C C . SER A 1 16 ? -0.883 2.125 -7.149 1.00 92.80 16 A 1 ATOM 119 O O . SER A 1 16 ? -0.589 2.305 -8.331 1.00 90.00 16 A 1 ATOM 120 C CB . SER A 1 16 ? -0.194 0.045 -5.927 1.00 90.78 16 A 1 ATOM 121 O OG . SER A 1 16 ? 0.446 -0.764 -6.876 1.00 81.90 16 A 1 ATOM 122 N N . LEU A 1 17 ? -2.047 2.478 -6.644 1.00 93.19 17 A 1 ATOM 123 C CA . LEU A 1 17 ? -3.086 3.119 -7.451 1.00 92.82 17 A 1 ATOM 124 C C . LEU A 1 17 ? -2.647 4.505 -7.914 1.00 93.66 17 A 1 ATOM 125 O O . LEU A 1 17 ? -2.935 4.898 -9.046 1.00 91.44 17 A 1 ATOM 126 C CB . LEU A 1 17 ? -4.376 3.215 -6.633 1.00 92.00 17 A 1 ATOM 127 C CG . LEU A 1 17 ? -5.109 1.881 -6.494 1.00 86.94 17 A 1 ATOM 128 C CD1 . LEU A 1 17 ? -6.087 1.940 -5.331 1.00 81.74 17 A 1 ATOM 129 C CD2 . LEU A 1 17 ? -5.867 1.553 -7.780 1.00 80.80 17 A 1 ATOM 130 N N . LEU A 1 18 ? -1.937 5.220 -7.061 1.00 92.26 18 A 1 ATOM 131 C CA . LEU A 1 18 ? -1.427 6.548 -7.402 1.00 92.05 18 A 1 ATOM 132 C C . LEU A 1 18 ? -0.357 6.474 -8.489 1.00 93.09 18 A 1 ATOM 133 O O . LEU A 1 18 ? -0.314 7.333 -9.369 1.00 90.48 18 A 1 ATOM 134 C CB . LEU A 1 18 ? -0.865 7.210 -6.142 1.00 91.41 18 A 1 ATOM 135 C CG . LEU A 1 18 ? -1.939 7.849 -5.261 1.00 86.14 18 A 1 ATOM 136 C CD1 . LEU A 1 18 ? -1.411 8.061 -3.854 1.00 81.09 18 A 1 ATOM 137 C CD2 . LEU A 1 18 ? -2.380 9.187 -5.849 1.00 79.81 18 A 1 ATOM 138 N N . VAL A 1 19 ? 0.482 5.443 -8.433 1.00 91.66 19 A 1 ATOM 139 C CA . VAL A 1 19 ? 1.553 5.263 -9.418 1.00 90.92 19 A 1 ATOM 140 C C . VAL A 1 19 ? 0.970 4.960 -10.796 1.00 91.60 19 A 1 ATOM 141 O O . VAL A 1 19 ? 1.364 5.577 -11.790 1.00 89.16 19 A 1 ATOM 142 C CB . VAL A 1 19 ? 2.523 4.156 -8.974 1.00 88.94 19 A 1 ATOM 143 C CG1 . VAL A 1 19 ? 3.538 3.836 -10.066 1.00 83.38 19 A 1 ATOM 144 C CG2 . VAL A 1 19 ? 3.274 4.572 -7.718 1.00 84.44 19 A 1 ATOM 145 N N . CYS A 1 20 ? 0.039 4.016 -10.860 1.00 87.86 20 A 1 ATOM 146 C CA . CYS A 1 20 ? -0.571 3.644 -12.136 1.00 88.11 20 A 1 ATOM 147 C C . CYS A 1 20 ? -1.980 3.082 -11.907 1.00 89.26 20 A 1 ATOM 148 O O . CYS A 1 20 ? -2.156 1.872 -11.800 1.00 86.51 20 A 1 ATOM 149 C CB . CYS A 1 20 ? 0.337 2.634 -12.846 1.00 85.05 20 A 1 ATOM 150 S SG . CYS A 1 20 ? 0.371 2.936 -14.625 1.00 74.84 20 A 1 ATOM 151 N N . PRO A 1 21 ? -2.989 3.946 -11.846 1.00 86.32 21 A 1 ATOM 152 C CA . PRO A 1 21 ? -4.366 3.511 -11.600 1.00 85.67 21 A 1 ATOM 153 C C . PRO A 1 21 ? -4.943 2.692 -12.752 1.00 86.01 21 A 1 ATOM 154 O O . PRO A 1 21 ? -5.858 1.897 -12.554 1.00 79.12 21 A 1 ATOM 155 C CB . PRO A 1 21 ? -5.135 4.823 -11.401 1.00 83.14 21 A 1 ATOM 156 C CG . PRO A 1 21 ? -4.328 5.864 -12.124 1.00 79.84 21 A 1 ATOM 157 C CD . PRO A 1 21 ? -2.892 5.409 -12.008 1.00 83.07 21 A 1 ATOM 158 N N . GLY A 1 22 ? -4.413 2.873 -13.948 1.00 81.42 22 A 1 ATOM 159 C CA . GLY A 1 22 ? -4.877 2.138 -15.123 1.00 79.56 22 A 1 ATOM 160 C C . GLY A 1 22 ? -4.277 0.746 -15.228 1.00 79.56 22 A 1 ATOM 161 O O . GLY A 1 22 ? -4.968 -0.201 -15.603 1.00 76.01 22 A 1 ATOM 162 N N . LEU A 1 23 ? -2.988 0.612 -14.888 1.00 79.87 23 A 1 ATOM 163 C CA . LEU A 1 23 ? -2.290 -0.669 -14.966 1.00 78.55 23 A 1 ATOM 164 C C . LEU A 1 23 ? -2.430 -1.468 -13.675 1.00 80.14 23 A 1 ATOM 165 O O . LEU A 1 23 ? -2.632 -2.681 -13.717 1.00 74.86 23 A 1 ATOM 166 C CB . LEU A 1 23 ? -0.806 -0.437 -15.291 1.00 74.58 23 A 1 ATOM 167 C CG . LEU A 1 23 ? -0.425 -0.569 -16.767 1.00 68.04 23 A 1 ATOM 168 C CD1 . LEU A 1 23 ? -0.624 -1.996 -17.241 1.00 64.20 23 A 1 ATOM 169 C CD2 . LEU A 1 23 ? -1.207 0.392 -17.643 1.00 62.41 23 A 1 ATOM 170 N N . ALA A 1 24 ? -2.299 -0.787 -12.545 1.00 75.16 24 A 1 ATOM 171 C CA . ALA A 1 24 ? -2.397 -1.426 -11.227 1.00 70.97 24 A 1 ATOM 172 C C . ALA A 1 24 ? -3.851 -1.512 -10.785 1.00 65.75 24 A 1 ATOM 173 O O . ALA A 1 24 ? -4.314 -2.631 -10.475 1.00 61.63 24 A 1 ATOM 174 C CB . ALA A 1 24 ? -1.564 -0.653 -10.215 1.00 65.14 24 A 1 ATOM 175 O OXT . ALA A 1 24 ? -4.495 -0.453 -10.727 1.00 57.89 24 A 1 #