# 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_spkb42004 # _entry.id spkb42004 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 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" "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 MET 2 1 n ALA 3 1 n LEU 4 1 n THR 5 1 n SER 6 1 n LEU 7 1 n ALA 8 1 n CYS 9 1 n LEU 10 1 n HIS 11 1 n ALA 12 1 n LEU 13 1 n PHE 14 1 n PRO 15 1 n PHE 16 1 n VAL 17 1 n SER 18 1 n PRO 19 # _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 22:17:51)" _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 86.06 _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 75.80 1 1 A MET 2 2 78.44 1 2 A ALA 3 2 83.72 1 3 A LEU 4 2 84.24 1 4 A THR 5 2 86.15 1 5 A SER 6 2 86.30 1 6 A LEU 7 2 87.03 1 7 A ALA 8 2 91.14 1 8 A CYS 9 2 90.73 1 9 A LEU 10 2 88.86 1 10 A HIS 11 2 87.55 1 11 A ALA 12 2 94.17 1 12 A LEU 13 2 90.85 1 13 A PHE 14 2 87.19 1 14 A PRO 15 2 92.19 1 15 A PHE 16 2 86.24 1 16 A VAL 17 2 83.46 1 17 A SER 18 2 84.12 1 18 A PRO 19 2 81.31 1 19 # _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 MET . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n HIS . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n PRO . 19 A 19 # _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 ? -13.057 7.250 11.643 1.00 79.84 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.822 6.529 12.023 1.00 81.71 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.167 5.899 10.789 1.00 83.20 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.428 4.750 10.461 1.00 82.25 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.153 5.447 13.047 1.00 76.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.029 5.249 14.047 1.00 73.87 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.471 4.055 15.302 1.00 69.91 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.197 4.389 16.511 1.00 59.04 1 A 1 ATOM 9 N N . MET A 1 2 ? -10.329 6.652 10.099 1.00 82.51 2 A 1 ATOM 10 C CA . MET A 1 2 ? -9.659 6.169 8.889 1.00 84.30 2 A 1 ATOM 11 C C . MET A 1 2 ? -8.291 6.839 8.715 1.00 85.50 2 A 1 ATOM 12 O O . MET A 1 2 ? -8.202 7.976 8.262 1.00 84.47 2 A 1 ATOM 13 C CB . MET A 1 2 ? -10.540 6.440 7.672 1.00 79.76 2 A 1 ATOM 14 C CG . MET A 1 2 ? -11.039 7.873 7.609 1.00 76.44 2 A 1 ATOM 15 S SD . MET A 1 2 ? -12.156 8.098 6.228 1.00 72.68 2 A 1 ATOM 16 C CE . MET A 1 2 ? -12.323 9.871 6.244 1.00 61.86 2 A 1 ATOM 17 N N . ALA A 1 3 ? -7.245 6.126 9.067 1.00 80.45 3 A 1 ATOM 18 C CA . ALA A 1 3 ? -5.881 6.656 8.942 1.00 84.49 3 A 1 ATOM 19 C C . ALA A 1 3 ? -4.913 5.590 8.430 1.00 86.32 3 A 1 ATOM 20 O O . ALA A 1 3 ? -4.046 5.865 7.608 1.00 84.88 3 A 1 ATOM 21 C CB . ALA A 1 3 ? -5.418 7.186 10.294 1.00 82.47 3 A 1 ATOM 22 N N . LEU A 1 4 ? -5.075 4.364 8.896 1.00 86.51 4 A 1 ATOM 23 C CA . LEU A 1 4 ? -4.208 3.258 8.488 1.00 87.05 4 A 1 ATOM 24 C C . LEU A 1 4 ? -4.637 2.676 7.147 1.00 88.25 4 A 1 ATOM 25 O O . LEU A 1 4 ? -3.857 2.016 6.468 1.00 86.15 4 A 1 ATOM 26 C CB . LEU A 1 4 ? -4.213 2.168 9.569 1.00 85.49 4 A 1 ATOM 27 C CG . LEU A 1 4 ? -3.111 2.316 10.619 1.00 82.90 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? -1.746 2.104 9.988 1.00 79.72 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? -3.178 3.668 11.296 1.00 77.88 4 A 1 ATOM 30 N N . THR A 1 5 ? -5.874 2.909 6.762 1.00 89.06 5 A 1 ATOM 31 C CA . THR A 1 5 ? -6.408 2.389 5.499 1.00 88.20 5 A 1 ATOM 32 C C . THR A 1 5 ? -5.656 2.974 4.302 1.00 87.89 5 A 1 ATOM 33 O O . THR A 1 5 ? -5.320 2.259 3.357 1.00 86.24 5 A 1 ATOM 34 C CB . THR A 1 5 ? -7.900 2.722 5.382 1.00 87.04 5 A 1 ATOM 35 O OG1 . THR A 1 5 ? -8.571 2.357 6.581 1.00 82.19 5 A 1 ATOM 36 C CG2 . THR A 1 5 ? -8.529 1.957 4.226 1.00 82.44 5 A 1 ATOM 37 N N . SER A 1 6 ? -5.384 4.260 4.330 1.00 88.50 6 A 1 ATOM 38 C CA . SER A 1 6 ? -4.675 4.931 3.240 1.00 88.10 6 A 1 ATOM 39 C C . SER A 1 6 ? -3.215 4.486 3.176 1.00 88.15 6 A 1 ATOM 40 O O . SER A 1 6 ? -2.673 4.250 2.101 1.00 86.54 6 A 1 ATOM 41 C CB . SER A 1 6 ? -4.746 6.445 3.422 1.00 87.06 6 A 1 ATOM 42 O OG . SER A 1 6 ? -5.820 6.980 2.695 1.00 79.47 6 A 1 ATOM 43 N N . LEU A 1 7 ? -2.592 4.362 4.320 1.00 89.80 7 A 1 ATOM 44 C CA . LEU A 1 7 ? -1.190 3.941 4.392 1.00 89.59 7 A 1 ATOM 45 C C . LEU A 1 7 ? -1.027 2.486 3.975 1.00 90.92 7 A 1 ATOM 46 O O . LEU A 1 7 ? -0.081 2.134 3.273 1.00 90.06 7 A 1 ATOM 47 C CB . LEU A 1 7 ? -0.675 4.141 5.818 1.00 88.62 7 A 1 ATOM 48 C CG . LEU A 1 7 ? 0.275 5.325 5.957 1.00 84.46 7 A 1 ATOM 49 C CD1 . LEU A 1 7 ? 0.080 6.018 7.291 1.00 81.76 7 A 1 ATOM 50 C CD2 . LEU A 1 7 ? 1.706 4.855 5.807 1.00 80.99 7 A 1 ATOM 51 N N . ALA A 1 8 ? -1.946 1.640 4.396 1.00 90.70 8 A 1 ATOM 52 C CA . ALA A 1 8 ? -1.893 0.215 4.069 1.00 91.00 8 A 1 ATOM 53 C C . ALA A 1 8 ? -2.132 -0.019 2.582 1.00 92.08 8 A 1 ATOM 54 O O . ALA A 1 8 ? -1.470 -0.850 1.965 1.00 91.00 8 A 1 ATOM 55 C CB . ALA A 1 8 ? -2.934 -0.535 4.893 1.00 90.93 8 A 1 ATOM 56 N N . CYS A 1 9 ? -3.072 0.705 1.999 1.00 91.80 9 A 1 ATOM 57 C CA . CYS A 1 9 ? -3.404 0.565 0.578 1.00 92.04 9 A 1 ATOM 58 C C . CYS A 1 9 ? -2.212 0.953 -0.302 1.00 92.70 9 A 1 ATOM 59 O O . CYS A 1 9 ? -1.900 0.271 -1.278 1.00 91.11 9 A 1 ATOM 60 C CB . CYS A 1 9 ? -4.617 1.439 0.246 1.00 90.68 9 A 1 ATOM 61 S SG . CYS A 1 9 ? -5.316 1.063 -1.375 1.00 86.04 9 A 1 ATOM 62 N N . LEU A 1 10 ? -1.539 2.032 0.048 1.00 90.49 10 A 1 ATOM 63 C CA . LEU A 1 10 ? -0.389 2.512 -0.719 1.00 90.94 10 A 1 ATOM 64 C C . LEU A 1 10 ? 0.777 1.530 -0.636 1.00 92.33 10 A 1 ATOM 65 O O . LEU A 1 10 ? 1.458 1.270 -1.627 1.00 91.27 10 A 1 ATOM 66 C CB . LEU A 1 10 ? 0.033 3.884 -0.192 1.00 90.22 10 A 1 ATOM 67 C CG . LEU A 1 10 ? 0.092 4.960 -1.267 1.00 87.88 10 A 1 ATOM 68 C CD1 . LEU A 1 10 ? -0.078 6.338 -0.646 1.00 84.07 10 A 1 ATOM 69 C CD2 . LEU A 1 10 ? 1.406 4.886 -2.015 1.00 83.65 10 A 1 ATOM 70 N N . HIS A 1 11 ? 1.002 0.980 0.531 1.00 91.12 11 A 1 ATOM 71 C CA . HIS A 1 11 ? 2.089 0.023 0.738 1.00 90.45 11 A 1 ATOM 72 C C . HIS A 1 11 ? 1.800 -1.292 0.024 1.00 91.57 11 A 1 ATOM 73 O O . HIS A 1 11 ? 2.715 -1.962 -0.448 1.00 91.75 11 A 1 ATOM 74 C CB . HIS A 1 11 ? 2.273 -0.236 2.234 1.00 90.45 11 A 1 ATOM 75 C CG . HIS A 1 11 ? 3.673 0.065 2.688 1.00 88.64 11 A 1 ATOM 76 N ND1 . HIS A 1 11 ? 4.745 -0.729 2.374 1.00 80.69 11 A 1 ATOM 77 C CD2 . HIS A 1 11 ? 4.149 1.083 3.432 1.00 83.22 11 A 1 ATOM 78 C CE1 . HIS A 1 11 ? 5.834 -0.193 2.916 1.00 83.17 11 A 1 ATOM 79 N NE2 . HIS A 1 11 ? 5.506 0.901 3.565 1.00 84.47 11 A 1 ATOM 80 N N . ALA A 1 12 ? 0.539 -1.674 -0.061 1.00 94.51 12 A 1 ATOM 81 C CA . ALA A 1 12 ? 0.142 -2.919 -0.714 1.00 94.46 12 A 1 ATOM 82 C C . ALA A 1 12 ? 0.433 -2.871 -2.212 1.00 95.16 12 A 1 ATOM 83 O O . ALA A 1 12 ? 0.916 -3.841 -2.788 1.00 92.95 12 A 1 ATOM 84 C CB . ALA A 1 12 ? -1.340 -3.180 -0.471 1.00 93.79 12 A 1 ATOM 85 N N . LEU A 1 13 ? 0.140 -1.743 -2.850 1.00 93.74 13 A 1 ATOM 86 C CA . LEU A 1 13 ? 0.374 -1.575 -4.284 1.00 92.79 13 A 1 ATOM 87 C C . LEU A 1 13 ? 1.843 -1.288 -4.584 1.00 93.48 13 A 1 ATOM 88 O O . LEU A 1 13 ? 2.398 -1.802 -5.556 1.00 92.00 13 A 1 ATOM 89 C CB . LEU A 1 13 ? -0.504 -0.441 -4.817 1.00 92.20 13 A 1 ATOM 90 C CG . LEU A 1 13 ? -1.950 -0.844 -5.089 1.00 89.96 13 A 1 ATOM 91 C CD1 . LEU A 1 13 ? -2.846 0.384 -5.139 1.00 86.56 13 A 1 ATOM 92 C CD2 . LEU A 1 13 ? -2.039 -1.605 -6.409 1.00 86.07 13 A 1 ATOM 93 N N . PHE A 1 14 ? 2.468 -0.478 -3.757 1.00 91.56 14 A 1 ATOM 94 C CA . PHE A 1 14 ? 3.871 -0.114 -3.949 1.00 90.58 14 A 1 ATOM 95 C C . PHE A 1 14 ? 4.712 -0.436 -2.715 1.00 91.87 14 A 1 ATOM 96 O O . PHE A 1 14 ? 5.131 0.463 -1.982 1.00 90.74 14 A 1 ATOM 97 C CB . PHE A 1 14 ? 3.964 1.375 -4.268 1.00 89.22 14 A 1 ATOM 98 C CG . PHE A 1 14 ? 3.659 1.678 -5.708 1.00 87.41 14 A 1 ATOM 99 C CD1 . PHE A 1 14 ? 2.368 1.601 -6.190 1.00 84.11 14 A 1 ATOM 100 C CD2 . PHE A 1 14 ? 4.676 2.038 -6.575 1.00 84.51 14 A 1 ATOM 101 C CE1 . PHE A 1 14 ? 2.084 1.876 -7.521 1.00 83.06 14 A 1 ATOM 102 C CE2 . PHE A 1 14 ? 4.404 2.320 -7.906 1.00 82.91 14 A 1 ATOM 103 C CZ . PHE A 1 14 ? 3.105 2.238 -8.381 1.00 83.14 14 A 1 ATOM 104 N N . PRO A 1 15 ? 4.987 -1.727 -2.496 1.00 93.78 15 A 1 ATOM 105 C CA . PRO A 1 15 ? 5.790 -2.142 -1.341 1.00 92.88 15 A 1 ATOM 106 C C . PRO A 1 15 ? 7.278 -1.883 -1.544 1.00 92.86 15 A 1 ATOM 107 O O . PRO A 1 15 ? 8.040 -1.800 -0.585 1.00 90.57 15 A 1 ATOM 108 C CB . PRO A 1 15 ? 5.500 -3.638 -1.228 1.00 91.11 15 A 1 ATOM 109 C CG . PRO A 1 15 ? 5.147 -4.065 -2.616 1.00 90.68 15 A 1 ATOM 110 C CD . PRO A 1 15 ? 4.520 -2.864 -3.293 1.00 93.43 15 A 1 ATOM 111 N N . PHE A 1 16 ? 7.678 -1.757 -2.810 1.00 90.66 16 A 1 ATOM 112 C CA . PHE A 1 16 ? 9.079 -1.511 -3.136 1.00 89.61 16 A 1 ATOM 113 C C . PHE A 1 16 ? 9.443 -0.035 -3.060 1.00 90.92 16 A 1 ATOM 114 O O . PHE A 1 16 ? 10.623 0.315 -3.035 1.00 88.94 16 A 1 ATOM 115 C CB . PHE A 1 16 ? 9.373 -2.040 -4.538 1.00 88.06 16 A 1 ATOM 116 C CG . PHE A 1 16 ? 10.533 -2.994 -4.565 1.00 85.49 16 A 1 ATOM 117 C CD1 . PHE A 1 16 ? 10.378 -4.298 -4.136 1.00 83.24 16 A 1 ATOM 118 C CD2 . PHE A 1 16 ? 11.772 -2.580 -5.017 1.00 82.66 16 A 1 ATOM 119 C CE1 . PHE A 1 16 ? 11.443 -5.182 -4.159 1.00 82.86 16 A 1 ATOM 120 C CE2 . PHE A 1 16 ? 12.847 -3.456 -5.042 1.00 83.20 16 A 1 ATOM 121 C CZ . PHE A 1 16 ? 12.682 -4.761 -4.616 1.00 83.03 16 A 1 ATOM 122 N N . VAL A 1 17 ? 8.446 0.813 -3.035 1.00 87.94 17 A 1 ATOM 123 C CA . VAL A 1 17 ? 8.679 2.257 -2.969 1.00 85.78 17 A 1 ATOM 124 C C . VAL A 1 17 ? 9.364 2.635 -1.658 1.00 86.52 17 A 1 ATOM 125 O O . VAL A 1 17 ? 8.969 2.173 -0.581 1.00 83.86 17 A 1 ATOM 126 C CB . VAL A 1 17 ? 7.355 3.022 -3.114 1.00 83.46 17 A 1 ATOM 127 C CG1 . VAL A 1 17 ? 6.516 2.927 -1.845 1.00 77.53 17 A 1 ATOM 128 C CG2 . VAL A 1 17 ? 7.635 4.472 -3.457 1.00 79.13 17 A 1 ATOM 129 N N . SER A 1 18 ? 10.407 3.455 -1.776 1.00 87.47 18 A 1 ATOM 130 C CA . SER A 1 18 ? 11.147 3.892 -0.591 1.00 87.09 18 A 1 ATOM 131 C C . SER A 1 18 ? 11.509 5.372 -0.701 1.00 86.59 18 A 1 ATOM 132 O O . SER A 1 18 ? 12.326 5.754 -1.537 1.00 84.84 18 A 1 ATOM 133 C CB . SER A 1 18 ? 12.414 3.058 -0.426 1.00 83.79 18 A 1 ATOM 134 O OG . SER A 1 18 ? 12.163 1.902 0.338 1.00 74.93 18 A 1 ATOM 135 N N . PRO A 1 19 ? 10.904 6.210 0.136 1.00 86.84 19 A 1 ATOM 136 C CA . PRO A 1 19 ? 11.156 7.659 0.107 1.00 85.54 19 A 1 ATOM 137 C C . PRO A 1 19 ? 12.533 8.013 0.684 1.00 83.72 19 A 1 ATOM 138 O O . PRO A 1 19 ? 13.184 7.149 1.271 1.00 79.08 19 A 1 ATOM 139 C CB . PRO A 1 19 ? 10.038 8.222 0.987 1.00 78.76 19 A 1 ATOM 140 C CG . PRO A 1 19 ? 9.688 7.115 1.915 1.00 77.64 19 A 1 ATOM 141 C CD . PRO A 1 19 ? 9.937 5.829 1.155 1.00 81.87 19 A 1 ATOM 142 O OXT . PRO A 1 19 ? 12.944 9.193 0.549 1.00 77.01 19 A 1 #