# 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_spkb28973 # _entry.id spkb28973 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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 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 VAL 3 1 n PRO 4 1 n ALA 5 1 n PRO 6 1 n PHE 7 1 n LEU 8 1 n LEU 9 1 n VAL 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n GLY 16 1 n ALA 17 1 n PRO 18 1 n GLN 19 1 n VAL 20 1 n GLY 21 1 n LEU 22 1 n SER 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 @ 2025-07-03 03:51:31)" _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 86.51 _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 78.11 1 1 A LEU 2 2 82.89 1 2 A VAL 3 2 87.56 1 3 A PRO 4 2 90.49 1 4 A ALA 5 2 93.93 1 5 A PRO 6 2 93.72 1 6 A PHE 7 2 90.79 1 7 A LEU 8 2 89.80 1 8 A LEU 9 2 90.18 1 9 A VAL 10 2 92.46 1 10 A LEU 11 2 88.54 1 11 A LEU 12 2 88.33 1 12 A LEU 13 2 90.35 1 13 A LEU 14 2 89.79 1 14 A LEU 15 2 88.14 1 15 A GLY 16 2 90.80 1 16 A ALA 17 2 89.90 1 17 A PRO 18 2 87.67 1 18 A GLN 19 2 79.17 1 19 A VAL 20 2 81.75 1 20 A GLY 21 2 78.35 1 21 A LEU 22 2 75.81 1 22 A SER 23 2 72.66 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 LEU . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n GLN . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n SER . 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 ? 11.007 -1.416 11.234 1.00 84.42 1 A 1 ATOM 2 C CA . MET A 1 1 ? 11.026 -2.642 12.054 1.00 86.46 1 A 1 ATOM 3 C C . MET A 1 1 ? 9.874 -3.549 11.614 1.00 87.20 1 A 1 ATOM 4 O O . MET A 1 1 ? 9.477 -3.483 10.453 1.00 82.59 1 A 1 ATOM 5 C CB . MET A 1 1 ? 10.934 -2.253 13.530 1.00 79.74 1 A 1 ATOM 6 C CG . MET A 1 1 ? 12.195 -1.502 13.978 1.00 73.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? 11.945 -0.554 15.484 1.00 69.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? 13.549 0.243 15.636 1.00 61.52 1 A 1 ATOM 9 N N . LEU A 1 2 ? 9.332 -4.376 12.490 1.00 87.17 2 A 1 ATOM 10 C CA . LEU A 1 2 ? 8.247 -5.285 12.104 1.00 88.95 2 A 1 ATOM 11 C C . LEU A 1 2 ? 6.965 -4.517 11.771 1.00 90.53 2 A 1 ATOM 12 O O . LEU A 1 2 ? 6.514 -3.666 12.534 1.00 86.71 2 A 1 ATOM 13 C CB . LEU A 1 2 ? 7.992 -6.303 13.220 1.00 85.42 2 A 1 ATOM 14 C CG . LEU A 1 2 ? 7.548 -5.708 14.560 1.00 78.05 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? 6.022 -5.654 14.650 1.00 74.70 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? 8.110 -6.538 15.698 1.00 71.62 2 A 1 ATOM 17 N N . VAL A 1 3 ? 6.385 -4.805 10.603 1.00 90.25 3 A 1 ATOM 18 C CA . VAL A 1 3 ? 5.156 -4.147 10.153 1.00 90.88 3 A 1 ATOM 19 C C . VAL A 1 3 ? 4.002 -5.147 10.156 1.00 92.41 3 A 1 ATOM 20 O O . VAL A 1 3 ? 4.145 -6.250 9.627 1.00 91.81 3 A 1 ATOM 21 C CB . VAL A 1 3 ? 5.334 -3.572 8.739 1.00 87.55 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? 4.085 -2.809 8.309 1.00 79.07 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? 6.547 -2.654 8.685 1.00 80.98 3 A 1 ATOM 24 N N . PRO A 1 4 ? 2.856 -4.774 10.738 1.00 91.82 4 A 1 ATOM 25 C CA . PRO A 1 4 ? 1.686 -5.652 10.786 1.00 92.54 4 A 1 ATOM 26 C C . PRO A 1 4 ? 1.139 -5.953 9.390 1.00 93.81 4 A 1 ATOM 27 O O . PRO A 1 4 ? 1.135 -5.083 8.515 1.00 92.25 4 A 1 ATOM 28 C CB . PRO A 1 4 ? 0.674 -4.866 11.624 1.00 89.10 4 A 1 ATOM 29 C CG . PRO A 1 4 ? 1.112 -3.440 11.543 1.00 85.48 4 A 1 ATOM 30 C CD . PRO A 1 4 ? 2.610 -3.490 11.405 1.00 88.44 4 A 1 ATOM 31 N N . ALA A 1 5 ? 0.665 -7.177 9.186 1.00 93.89 5 A 1 ATOM 32 C CA . ALA A 1 5 ? 0.113 -7.600 7.899 1.00 94.34 5 A 1 ATOM 33 C C . ALA A 1 5 ? -1.059 -6.722 7.440 1.00 95.20 5 A 1 ATOM 34 O O . ALA A 1 5 ? -1.112 -6.332 6.272 1.00 93.78 5 A 1 ATOM 35 C CB . ALA A 1 5 ? -0.305 -9.068 7.976 1.00 92.42 5 A 1 ATOM 36 N N . PRO A 1 6 ? -2.010 -6.401 8.331 1.00 94.56 6 A 1 ATOM 37 C CA . PRO A 1 6 ? -3.143 -5.543 7.946 1.00 94.70 6 A 1 ATOM 38 C C . PRO A 1 6 ? -2.705 -4.156 7.485 1.00 95.50 6 A 1 ATOM 39 O O . PRO A 1 6 ? -3.331 -3.566 6.604 1.00 93.94 6 A 1 ATOM 40 C CB . PRO A 1 6 ? -3.993 -5.463 9.224 1.00 93.02 6 A 1 ATOM 41 C CG . PRO A 1 6 ? -3.083 -5.867 10.332 1.00 90.99 6 A 1 ATOM 42 C CD . PRO A 1 6 ? -2.125 -6.849 9.729 1.00 93.33 6 A 1 ATOM 43 N N . PHE A 1 7 ? -1.636 -3.638 8.076 1.00 93.64 7 A 1 ATOM 44 C CA . PHE A 1 7 ? -1.115 -2.327 7.690 1.00 93.76 7 A 1 ATOM 45 C C . PHE A 1 7 ? -0.612 -2.361 6.249 1.00 94.58 7 A 1 ATOM 46 O O . PHE A 1 7 ? -0.872 -1.452 5.462 1.00 93.60 7 A 1 ATOM 47 C CB . PHE A 1 7 ? 0.014 -1.920 8.634 1.00 92.80 7 A 1 ATOM 48 C CG . PHE A 1 7 ? 0.384 -0.466 8.503 1.00 91.90 7 A 1 ATOM 49 C CD1 . PHE A 1 7 ? -0.359 0.510 9.157 1.00 88.64 7 A 1 ATOM 50 C CD2 . PHE A 1 7 ? 1.470 -0.084 7.730 1.00 88.51 7 A 1 ATOM 51 C CE1 . PHE A 1 7 ? -0.024 1.851 9.036 1.00 86.97 7 A 1 ATOM 52 C CE2 . PHE A 1 7 ? 1.808 1.260 7.600 1.00 86.54 7 A 1 ATOM 53 C CZ . PHE A 1 7 ? 1.061 2.229 8.254 1.00 87.80 7 A 1 ATOM 54 N N . LEU A 1 8 ? 0.098 -3.428 5.904 1.00 94.04 8 A 1 ATOM 55 C CA . LEU A 1 8 ? 0.602 -3.602 4.542 1.00 93.53 8 A 1 ATOM 56 C C . LEU A 1 8 ? -0.550 -3.770 3.558 1.00 94.15 8 A 1 ATOM 57 O O . LEU A 1 8 ? -0.483 -3.291 2.424 1.00 93.10 8 A 1 ATOM 58 C CB . LEU A 1 8 ? 1.523 -4.824 4.482 1.00 92.56 8 A 1 ATOM 59 C CG . LEU A 1 8 ? 2.914 -4.569 5.056 1.00 85.70 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? 3.643 -5.882 5.270 1.00 83.14 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? 3.718 -3.675 4.114 1.00 82.17 8 A 1 ATOM 62 N N . LEU A 1 9 ? -1.598 -4.439 3.990 1.00 93.50 9 A 1 ATOM 63 C CA . LEU A 1 9 ? -2.783 -4.641 3.156 1.00 93.48 9 A 1 ATOM 64 C C . LEU A 1 9 ? -3.439 -3.303 2.820 1.00 94.44 9 A 1 ATOM 65 O O . LEU A 1 9 ? -3.805 -3.051 1.671 1.00 93.84 9 A 1 ATOM 66 C CB . LEU A 1 9 ? -3.780 -5.542 3.888 1.00 92.67 9 A 1 ATOM 67 C CG . LEU A 1 9 ? -4.969 -5.960 3.029 1.00 85.62 9 A 1 ATOM 68 C CD1 . LEU A 1 9 ? -4.560 -7.063 2.059 1.00 84.30 9 A 1 ATOM 69 C CD2 . LEU A 1 9 ? -6.113 -6.433 3.908 1.00 83.56 9 A 1 ATOM 70 N N . VAL A 1 10 ? -3.579 -2.450 3.823 1.00 93.72 10 A 1 ATOM 71 C CA . VAL A 1 10 ? -4.171 -1.121 3.632 1.00 93.43 10 A 1 ATOM 72 C C . VAL A 1 10 ? -3.304 -0.285 2.694 1.00 94.09 10 A 1 ATOM 73 O O . VAL A 1 10 ? -3.816 0.425 1.827 1.00 93.06 10 A 1 ATOM 74 C CB . VAL A 1 10 ? -4.341 -0.402 4.981 1.00 92.63 10 A 1 ATOM 75 C CG1 . VAL A 1 10 ? -4.817 1.036 4.778 1.00 90.28 10 A 1 ATOM 76 C CG2 . VAL A 1 10 ? -5.333 -1.147 5.863 1.00 90.01 10 A 1 ATOM 77 N N . LEU A 1 11 ? -2.004 -0.381 2.864 1.00 92.54 11 A 1 ATOM 78 C CA . LEU A 1 11 ? -1.065 0.352 2.012 1.00 91.99 11 A 1 ATOM 79 C C . LEU A 1 11 ? -1.192 -0.106 0.560 1.00 92.53 11 A 1 ATOM 80 O O . LEU A 1 11 ? -1.194 0.709 -0.361 1.00 91.31 11 A 1 ATOM 81 C CB . LEU A 1 11 ? 0.363 0.131 2.516 1.00 90.93 11 A 1 ATOM 82 C CG . LEU A 1 11 ? 1.401 1.023 1.831 1.00 84.75 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? 1.197 2.485 2.222 1.00 82.43 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? 2.806 0.578 2.203 1.00 81.87 11 A 1 ATOM 85 N N . LEU A 1 12 ? -1.307 -1.407 0.362 1.00 92.13 12 A 1 ATOM 86 C CA . LEU A 1 12 ? -1.469 -1.976 -0.976 1.00 91.70 12 A 1 ATOM 87 C C . LEU A 1 12 ? -2.780 -1.507 -1.602 1.00 92.55 12 A 1 ATOM 88 O O . LEU A 1 12 ? -2.839 -1.193 -2.792 1.00 90.78 12 A 1 ATOM 89 C CB . LEU A 1 12 ? -1.446 -3.502 -0.892 1.00 90.65 12 A 1 ATOM 90 C CG . LEU A 1 12 ? -1.329 -4.193 -2.251 1.00 84.91 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? 0.067 -4.005 -2.834 1.00 82.25 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? -1.645 -5.674 -2.120 1.00 81.71 12 A 1 ATOM 93 N N . LEU A 1 13 ? -3.831 -1.454 -0.796 1.00 93.57 13 A 1 ATOM 94 C CA . LEU A 1 13 ? -5.140 -0.991 -1.255 1.00 93.12 13 A 1 ATOM 95 C C . LEU A 1 13 ? -5.068 0.479 -1.662 1.00 93.57 13 A 1 ATOM 96 O O . LEU A 1 13 ? -5.648 0.885 -2.672 1.00 91.52 13 A 1 ATOM 97 C CB . LEU A 1 13 ? -6.175 -1.199 -0.143 1.00 92.44 13 A 1 ATOM 98 C CG . LEU A 1 13 ? -7.622 -1.138 -0.637 1.00 88.33 13 A 1 ATOM 99 C CD1 . LEU A 1 13 ? -8.470 -2.173 0.091 1.00 85.43 13 A 1 ATOM 100 C CD2 . LEU A 1 13 ? -8.207 0.246 -0.421 1.00 84.80 13 A 1 ATOM 101 N N . LEU A 1 14 ? -4.341 1.273 -0.885 1.00 93.40 14 A 1 ATOM 102 C CA . LEU A 1 14 ? -4.162 2.693 -1.180 1.00 92.69 14 A 1 ATOM 103 C C . LEU A 1 14 ? -3.399 2.896 -2.485 1.00 92.78 14 A 1 ATOM 104 O O . LEU A 1 14 ? -3.522 3.943 -3.123 1.00 90.34 14 A 1 ATOM 105 C CB . LEU A 1 14 ? -3.414 3.365 -0.026 1.00 91.52 14 A 1 ATOM 106 C CG . LEU A 1 14 ? -4.282 3.642 1.206 1.00 88.37 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? -3.409 3.966 2.409 1.00 85.34 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? -5.241 4.796 0.934 1.00 83.88 14 A 1 ATOM 109 N N . LEU A 1 15 ? -2.615 1.907 -2.879 1.00 92.96 15 A 1 ATOM 110 C CA . LEU A 1 15 ? -1.865 1.980 -4.132 1.00 91.92 15 A 1 ATOM 111 C C . LEU A 1 15 ? -2.710 1.513 -5.314 1.00 92.09 15 A 1 ATOM 112 O O . LEU A 1 15 ? -2.537 1.990 -6.438 1.00 88.24 15 A 1 ATOM 113 C CB . LEU A 1 15 ? -0.600 1.125 -4.017 1.00 89.86 15 A 1 ATOM 114 C CG . LEU A 1 15 ? 0.493 1.749 -3.145 1.00 87.06 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? 1.514 0.702 -2.737 1.00 82.48 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? 1.182 2.884 -3.893 1.00 80.48 15 A 1 ATOM 117 N N . GLY A 1 16 ? -3.618 0.581 -5.056 1.00 91.50 16 A 1 ATOM 118 C CA . GLY A 1 16 ? -4.457 0.034 -6.122 1.00 90.78 16 A 1 ATOM 119 C C . GLY A 1 16 ? -5.716 0.838 -6.393 1.00 91.86 16 A 1 ATOM 120 O O . GLY A 1 16 ? -6.397 0.609 -7.390 1.00 89.05 16 A 1 ATOM 121 N N . ALA A 1 17 ? -6.046 1.783 -5.517 1.00 91.29 17 A 1 ATOM 122 C CA . ALA A 1 17 ? -7.249 2.600 -5.676 1.00 90.88 17 A 1 ATOM 123 C C . ALA A 1 17 ? -6.993 3.894 -6.459 1.00 91.37 17 A 1 ATOM 124 O O . ALA A 1 17 ? -7.656 4.146 -7.466 1.00 88.18 17 A 1 ATOM 125 C CB . ALA A 1 17 ? -7.859 2.896 -4.306 1.00 87.76 17 A 1 ATOM 126 N N . PRO A 1 18 ? -6.049 4.733 -6.016 1.00 89.75 18 A 1 ATOM 127 C CA . PRO A 1 18 ? -5.764 6.005 -6.696 1.00 89.07 18 A 1 ATOM 128 C C . PRO A 1 18 ? -5.182 5.822 -8.090 1.00 90.24 18 A 1 ATOM 129 O O . PRO A 1 18 ? -5.316 6.705 -8.936 1.00 85.29 18 A 1 ATOM 130 C CB . PRO A 1 18 ? -4.755 6.693 -5.773 1.00 86.03 18 A 1 ATOM 131 C CG . PRO A 1 18 ? -4.127 5.588 -5.002 1.00 85.05 18 A 1 ATOM 132 C CD . PRO A 1 18 ? -5.204 4.545 -4.842 1.00 88.24 18 A 1 ATOM 133 N N . GLN A 1 19 ? -4.556 4.680 -8.340 1.00 88.85 19 A 1 ATOM 134 C CA . GLN A 1 19 ? -3.978 4.396 -9.654 1.00 87.77 19 A 1 ATOM 135 C C . GLN A 1 19 ? -5.052 4.374 -10.732 1.00 86.21 19 A 1 ATOM 136 O O . GLN A 1 19 ? -4.827 4.828 -11.854 1.00 81.33 19 A 1 ATOM 137 C CB . GLN A 1 19 ? -3.240 3.052 -9.623 1.00 84.29 19 A 1 ATOM 138 C CG . GLN A 1 19 ? -1.885 3.157 -8.954 1.00 78.63 19 A 1 ATOM 139 C CD . GLN A 1 19 ? -0.887 3.906 -9.817 1.00 73.70 19 A 1 ATOM 140 O OE1 . GLN A 1 19 ? -0.488 3.427 -10.868 1.00 66.99 19 A 1 ATOM 141 N NE2 . GLN A 1 19 ? -0.474 5.078 -9.389 1.00 64.77 19 A 1 ATOM 142 N N . VAL A 1 20 ? -6.229 3.855 -10.396 1.00 87.07 20 A 1 ATOM 143 C CA . VAL A 1 20 ? -7.343 3.787 -11.343 1.00 86.03 20 A 1 ATOM 144 C C . VAL A 1 20 ? -8.037 5.139 -11.471 1.00 86.45 20 A 1 ATOM 145 O O . VAL A 1 20 ? -8.533 5.496 -12.542 1.00 80.05 20 A 1 ATOM 146 C CB . VAL A 1 20 ? -8.358 2.719 -10.910 1.00 81.98 20 A 1 ATOM 147 C CG1 . VAL A 1 20 ? -9.488 2.608 -11.929 1.00 74.29 20 A 1 ATOM 148 C CG2 . VAL A 1 20 ? -7.678 1.374 -10.738 1.00 76.40 20 A 1 ATOM 149 N N . GLY A 1 21 ? -8.079 5.882 -10.371 1.00 80.66 21 A 1 ATOM 150 C CA . GLY A 1 21 ? -8.731 7.191 -10.363 1.00 78.17 21 A 1 ATOM 151 C C . GLY A 1 21 ? -7.882 8.288 -10.990 1.00 79.04 21 A 1 ATOM 152 O O . GLY A 1 21 ? -8.402 9.350 -11.337 1.00 75.52 21 A 1 ATOM 153 N N . LEU A 1 22 ? -6.588 8.043 -11.141 1.00 82.68 22 A 1 ATOM 154 C CA . LEU A 1 22 ? -5.667 9.025 -11.712 1.00 80.82 22 A 1 ATOM 155 C C . LEU A 1 22 ? -4.944 8.463 -12.937 1.00 81.83 22 A 1 ATOM 156 O O . LEU A 1 22 ? -3.747 8.674 -13.123 1.00 77.13 22 A 1 ATOM 157 C CB . LEU A 1 22 ? -4.660 9.476 -10.651 1.00 77.52 22 A 1 ATOM 158 C CG . LEU A 1 22 ? -4.022 10.830 -10.931 1.00 72.98 22 A 1 ATOM 159 C CD1 . LEU A 1 22 ? -5.026 11.953 -10.703 1.00 68.42 22 A 1 ATOM 160 C CD2 . LEU A 1 22 ? -2.802 11.039 -10.036 1.00 65.06 22 A 1 ATOM 161 N N . SER A 1 23 ? -5.681 7.757 -13.781 1.00 81.52 23 A 1 ATOM 162 C CA . SER A 1 23 ? -5.121 7.166 -14.992 1.00 79.18 23 A 1 ATOM 163 C C . SER A 1 23 ? -5.951 7.538 -16.210 1.00 75.59 23 A 1 ATOM 164 O O . SER A 1 23 ? -7.189 7.560 -16.101 1.00 69.04 23 A 1 ATOM 165 C CB . SER A 1 23 ? -5.036 5.647 -14.857 1.00 71.61 23 A 1 ATOM 166 O OG . SER A 1 23 ? -4.036 5.286 -13.921 1.00 65.60 23 A 1 ATOM 167 O OXT . SER A 1 23 ? -5.359 7.819 -17.265 1.00 66.09 23 A 1 #