# 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_spkb14095 # _entry.id spkb14095 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 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" "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 GLY 2 1 n PRO 3 1 n LEU 4 1 n MET 5 1 n VAL 6 1 n LEU 7 1 n PHE 8 1 n CYS 9 1 n LEU 10 1 n LEU 11 1 n PHE 12 1 n LEU 13 1 n TYR 14 1 n PRO 15 1 n GLY 16 1 n LEU 17 1 n ALA 18 1 n ASP 19 1 n SER 20 # _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 01:29:56)" _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 88.18 _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 81.08 1 1 A GLY 2 2 93.12 1 2 A PRO 3 2 93.19 1 3 A LEU 4 2 89.70 1 4 A MET 5 2 89.69 1 5 A VAL 6 2 94.60 1 6 A LEU 7 2 89.50 1 7 A PHE 8 2 90.14 1 8 A CYS 9 2 93.48 1 9 A LEU 10 2 91.21 1 10 A LEU 11 2 90.61 1 11 A PHE 12 2 90.89 1 12 A LEU 13 2 93.07 1 13 A TYR 14 2 88.28 1 14 A PRO 15 2 91.78 1 15 A GLY 16 2 91.38 1 16 A LEU 17 2 83.77 1 17 A ALA 18 2 83.77 1 18 A ASP 19 2 74.30 1 19 A SER 20 2 71.86 1 20 # _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 GLY . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ASP . 19 A 19 A 20 1 n SER . 20 A 20 # _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 ? -2.601 12.933 -7.626 1.00 87.33 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.188 12.132 -6.452 1.00 89.38 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.720 12.380 -6.128 1.00 91.00 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.090 12.581 -7.024 1.00 86.42 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.401 10.640 -6.718 1.00 81.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.602 10.125 -7.911 1.00 75.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.999 8.417 -8.283 1.00 72.79 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.964 8.157 -9.724 1.00 63.88 1 A 1 ATOM 9 N N . GLY A 1 2 ? -0.376 12.361 -4.857 1.00 90.73 2 A 1 ATOM 10 C CA . GLY A 1 2 ? 0.994 12.592 -4.423 1.00 93.34 2 A 1 ATOM 11 C C . GLY A 1 2 ? 1.487 11.506 -3.482 1.00 94.91 2 A 1 ATOM 12 O O . GLY A 1 2 ? 1.012 10.370 -3.535 1.00 93.51 2 A 1 ATOM 13 N N . PRO A 1 3 ? 2.443 11.842 -2.602 1.00 93.55 3 A 1 ATOM 14 C CA . PRO A 1 3 ? 3.012 10.874 -1.655 1.00 94.89 3 A 1 ATOM 15 C C . PRO A 1 3 ? 1.970 10.264 -0.724 1.00 95.67 3 A 1 ATOM 16 O O . PRO A 1 3 ? 2.126 9.122 -0.292 1.00 93.54 3 A 1 ATOM 17 C CB . PRO A 1 3 ? 4.043 11.701 -0.872 1.00 92.60 3 A 1 ATOM 18 C CG . PRO A 1 3 ? 3.677 13.126 -1.111 1.00 89.39 3 A 1 ATOM 19 C CD . PRO A 1 3 ? 3.027 13.172 -2.467 1.00 92.71 3 A 1 ATOM 20 N N . LEU A 1 4 ? 0.906 10.996 -0.429 1.00 93.87 4 A 1 ATOM 21 C CA . LEU A 1 4 ? -0.157 10.487 0.439 1.00 94.33 4 A 1 ATOM 22 C C . LEU A 1 4 ? -0.817 9.261 -0.185 1.00 94.61 4 A 1 ATOM 23 O O . LEU A 1 4 ? -1.056 8.260 0.485 1.00 93.42 4 A 1 ATOM 24 C CB . LEU A 1 4 ? -1.206 11.571 0.692 1.00 93.08 4 A 1 ATOM 25 C CG . LEU A 1 4 ? -0.884 12.460 1.888 1.00 85.73 4 A 1 ATOM 26 C CD1 . LEU A 1 4 ? 0.377 13.279 1.627 1.00 81.68 4 A 1 ATOM 27 C CD2 . LEU A 1 4 ? -2.055 13.375 2.189 1.00 80.87 4 A 1 ATOM 28 N N . MET A 1 5 ? -1.112 9.342 -1.486 1.00 94.18 5 A 1 ATOM 29 C CA . MET A 1 5 ? -1.741 8.225 -2.191 1.00 94.89 5 A 1 ATOM 30 C C . MET A 1 5 ? -0.794 7.028 -2.247 1.00 95.38 5 A 1 ATOM 31 O O . MET A 1 5 ? -1.213 5.883 -2.101 1.00 94.67 5 A 1 ATOM 32 C CB . MET A 1 5 ? -2.135 8.646 -3.603 1.00 94.13 5 A 1 ATOM 33 C CG . MET A 1 5 ? -3.119 7.657 -4.209 1.00 87.77 5 A 1 ATOM 34 S SD . MET A 1 5 ? -4.710 7.727 -3.401 1.00 82.58 5 A 1 ATOM 35 C CE . MET A 1 5 ? -5.334 6.099 -3.807 1.00 73.93 5 A 1 ATOM 36 N N . VAL A 1 6 ? 0.483 7.291 -2.463 1.00 95.53 6 A 1 ATOM 37 C CA . VAL A 1 6 ? 1.494 6.227 -2.509 1.00 95.55 6 A 1 ATOM 38 C C . VAL A 1 6 ? 1.558 5.510 -1.164 1.00 95.60 6 A 1 ATOM 39 O O . VAL A 1 6 ? 1.624 4.280 -1.107 1.00 94.78 6 A 1 ATOM 40 C CB . VAL A 1 6 ? 2.872 6.798 -2.864 1.00 95.15 6 A 1 ATOM 41 C CG1 . VAL A 1 6 ? 3.942 5.716 -2.779 1.00 92.96 6 A 1 ATOM 42 C CG2 . VAL A 1 6 ? 2.843 7.400 -4.262 1.00 92.62 6 A 1 ATOM 43 N N . LEU A 1 7 ? 1.537 6.269 -0.093 1.00 92.87 7 A 1 ATOM 44 C CA . LEU A 1 7 ? 1.578 5.694 1.253 1.00 92.31 7 A 1 ATOM 45 C C . LEU A 1 7 ? 0.375 4.786 1.484 1.00 92.44 7 A 1 ATOM 46 O O . LEU A 1 7 ? 0.510 3.678 2.003 1.00 91.84 7 A 1 ATOM 47 C CB . LEU A 1 7 ? 1.588 6.816 2.292 1.00 91.67 7 A 1 ATOM 48 C CG . LEU A 1 7 ? 1.592 6.314 3.736 1.00 86.88 7 A 1 ATOM 49 C CD1 . LEU A 1 7 ? 2.879 5.558 4.042 1.00 84.15 7 A 1 ATOM 50 C CD2 . LEU A 1 7 ? 1.432 7.484 4.692 1.00 83.84 7 A 1 ATOM 51 N N . PHE A 1 8 ? -0.803 5.251 1.090 1.00 92.60 8 A 1 ATOM 52 C CA . PHE A 1 8 ? -2.026 4.475 1.263 1.00 92.66 8 A 1 ATOM 53 C C . PHE A 1 8 ? -1.971 3.193 0.433 1.00 93.47 8 A 1 ATOM 54 O O . PHE A 1 8 ? -2.361 2.125 0.900 1.00 92.76 8 A 1 ATOM 55 C CB . PHE A 1 8 ? -3.231 5.317 0.855 1.00 92.42 8 A 1 ATOM 56 C CG . PHE A 1 8 ? -4.535 4.676 1.252 1.00 90.82 8 A 1 ATOM 57 C CD1 . PHE A 1 8 ? -5.009 4.800 2.550 1.00 87.37 8 A 1 ATOM 58 C CD2 . PHE A 1 8 ? -5.272 3.950 0.331 1.00 87.88 8 A 1 ATOM 59 C CE1 . PHE A 1 8 ? -6.203 4.207 2.927 1.00 87.40 8 A 1 ATOM 60 C CE2 . PHE A 1 8 ? -6.469 3.347 0.705 1.00 86.69 8 A 1 ATOM 61 C CZ . PHE A 1 8 ? -6.934 3.474 2.003 1.00 87.52 8 A 1 ATOM 62 N N . CYS A 1 9 ? -1.476 3.292 -0.800 1.00 93.95 9 A 1 ATOM 63 C CA . CYS A 1 9 ? -1.370 2.124 -1.675 1.00 94.41 9 A 1 ATOM 64 C C . CYS A 1 9 ? -0.429 1.078 -1.079 1.00 94.93 9 A 1 ATOM 65 O O . CYS A 1 9 ? -0.716 -0.114 -1.116 1.00 93.43 9 A 1 ATOM 66 C CB . CYS A 1 9 ? -0.862 2.554 -3.053 1.00 93.97 9 A 1 ATOM 67 S SG . CYS A 1 9 ? -2.117 3.432 -3.993 1.00 90.20 9 A 1 ATOM 68 N N . LEU A 1 10 ? 0.692 1.520 -0.533 1.00 93.50 10 A 1 ATOM 69 C CA . LEU A 1 10 ? 1.660 0.603 0.067 1.00 93.57 10 A 1 ATOM 70 C C . LEU A 1 10 ? 1.049 -0.115 1.265 1.00 93.99 10 A 1 ATOM 71 O O . LEU A 1 10 ? 1.230 -1.317 1.435 1.00 92.89 10 A 1 ATOM 72 C CB . LEU A 1 10 ? 2.902 1.380 0.505 1.00 92.82 10 A 1 ATOM 73 C CG . LEU A 1 10 ? 3.765 1.849 -0.662 1.00 88.56 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? 4.809 2.843 -0.180 1.00 87.11 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? 4.445 0.656 -1.327 1.00 87.26 10 A 1 ATOM 76 N N . LEU A 1 11 ? 0.320 0.617 2.091 1.00 94.16 11 A 1 ATOM 77 C CA . LEU A 1 11 ? -0.328 0.028 3.262 1.00 93.74 11 A 1 ATOM 78 C C . LEU A 1 11 ? -1.449 -0.914 2.846 1.00 94.20 11 A 1 ATOM 79 O O . LEU A 1 11 ? -1.661 -1.952 3.468 1.00 92.96 11 A 1 ATOM 80 C CB . LEU A 1 11 ? -0.891 1.139 4.149 1.00 92.48 11 A 1 ATOM 81 C CG . LEU A 1 11 ? 0.181 1.979 4.833 1.00 87.83 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -0.440 3.224 5.451 1.00 84.89 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? 0.888 1.166 5.908 1.00 84.65 11 A 1 ATOM 84 N N . PHE A 1 12 ? -2.170 -0.558 1.786 1.00 94.75 12 A 1 ATOM 85 C CA . PHE A 1 12 ? -3.278 -1.373 1.294 1.00 94.70 12 A 1 ATOM 86 C C . PHE A 1 12 ? -2.779 -2.683 0.687 1.00 95.52 12 A 1 ATOM 87 O O . PHE A 1 12 ? -3.319 -3.751 0.976 1.00 94.34 12 A 1 ATOM 88 C CB . PHE A 1 12 ? -4.072 -0.577 0.259 1.00 93.75 12 A 1 ATOM 89 C CG . PHE A 1 12 ? -5.240 -1.353 -0.297 1.00 91.17 12 A 1 ATOM 90 C CD1 . PHE A 1 12 ? -6.378 -1.549 0.464 1.00 87.99 12 A 1 ATOM 91 C CD2 . PHE A 1 12 ? -5.183 -1.886 -1.574 1.00 87.55 12 A 1 ATOM 92 C CE1 . PHE A 1 12 ? -7.455 -2.264 -0.042 1.00 86.83 12 A 1 ATOM 93 C CE2 . PHE A 1 12 ? -6.258 -2.612 -2.084 1.00 86.68 12 A 1 ATOM 94 C CZ . PHE A 1 12 ? -7.394 -2.798 -1.318 1.00 86.49 12 A 1 ATOM 95 N N . LEU A 1 13 ? -1.752 -2.611 -0.158 1.00 96.25 13 A 1 ATOM 96 C CA . LEU A 1 13 ? -1.208 -3.799 -0.820 1.00 96.28 13 A 1 ATOM 97 C C . LEU A 1 13 ? -0.293 -4.592 0.107 1.00 96.39 13 A 1 ATOM 98 O O . LEU A 1 13 ? -0.273 -5.821 0.063 1.00 95.21 13 A 1 ATOM 99 C CB . LEU A 1 13 ? -0.441 -3.377 -2.076 1.00 95.64 13 A 1 ATOM 100 C CG . LEU A 1 13 ? -1.334 -2.802 -3.169 1.00 90.59 13 A 1 ATOM 101 C CD1 . LEU A 1 13 ? -0.484 -2.175 -4.266 1.00 87.40 13 A 1 ATOM 102 C CD2 . LEU A 1 13 ? -2.225 -3.891 -3.758 1.00 86.79 13 A 1 ATOM 103 N N . TYR A 1 14 ? 0.463 -3.899 0.930 1.00 93.68 14 A 1 ATOM 104 C CA . TYR A 1 14 ? 1.403 -4.538 1.851 1.00 93.41 14 A 1 ATOM 105 C C . TYR A 1 14 ? 1.171 -4.029 3.277 1.00 93.70 14 A 1 ATOM 106 O O . TYR A 1 14 ? 1.939 -3.208 3.781 1.00 92.03 14 A 1 ATOM 107 C CB . TYR A 1 14 ? 2.833 -4.235 1.410 1.00 91.74 14 A 1 ATOM 108 C CG . TYR A 1 14 ? 3.047 -4.454 -0.069 1.00 88.80 14 A 1 ATOM 109 C CD1 . TYR A 1 14 ? 3.057 -5.736 -0.600 1.00 86.17 14 A 1 ATOM 110 C CD2 . TYR A 1 14 ? 3.234 -3.377 -0.922 1.00 85.74 14 A 1 ATOM 111 C CE1 . TYR A 1 14 ? 3.251 -5.940 -1.957 1.00 84.68 14 A 1 ATOM 112 C CE2 . TYR A 1 14 ? 3.428 -3.575 -2.281 1.00 84.49 14 A 1 ATOM 113 C CZ . TYR A 1 14 ? 3.435 -4.855 -2.792 1.00 84.04 14 A 1 ATOM 114 O OH . TYR A 1 14 ? 3.627 -5.050 -4.137 1.00 80.90 14 A 1 ATOM 115 N N . PRO A 1 15 ? 0.128 -4.524 3.950 1.00 93.69 15 A 1 ATOM 116 C CA . PRO A 1 15 ? -0.210 -4.073 5.305 1.00 93.47 15 A 1 ATOM 117 C C . PRO A 1 15 ? 0.889 -4.358 6.324 1.00 93.44 15 A 1 ATOM 118 O O . PRO A 1 15 ? 1.077 -3.596 7.270 1.00 89.03 15 A 1 ATOM 119 C CB . PRO A 1 15 ? -1.492 -4.847 5.633 1.00 90.84 15 A 1 ATOM 120 C CG . PRO A 1 15 ? -1.477 -6.033 4.722 1.00 89.19 15 A 1 ATOM 121 C CD . PRO A 1 15 ? -0.772 -5.580 3.469 1.00 92.77 15 A 1 ATOM 122 N N . GLY A 1 16 ? 1.604 -5.460 6.136 1.00 91.35 16 A 1 ATOM 123 C CA . GLY A 1 16 ? 2.680 -5.827 7.056 1.00 91.65 16 A 1 ATOM 124 C C . GLY A 1 16 ? 3.979 -5.095 6.782 1.00 92.39 16 A 1 ATOM 125 O O . GLY A 1 16 ? 4.910 -5.172 7.581 1.00 90.11 16 A 1 ATOM 126 N N . LEU A 1 17 ? 4.057 -4.396 5.663 1.00 89.63 17 A 1 ATOM 127 C CA . LEU A 1 17 ? 5.270 -3.665 5.293 1.00 88.95 17 A 1 ATOM 128 C C . LEU A 1 17 ? 5.516 -2.486 6.227 1.00 89.19 17 A 1 ATOM 129 O O . LEU A 1 17 ? 6.663 -2.157 6.525 1.00 86.70 17 A 1 ATOM 130 C CB . LEU A 1 17 ? 5.156 -3.167 3.850 1.00 86.25 17 A 1 ATOM 131 C CG . LEU A 1 17 ? 6.384 -2.427 3.344 1.00 80.07 17 A 1 ATOM 132 C CD1 . LEU A 1 17 ? 7.597 -3.347 3.317 1.00 76.08 17 A 1 ATOM 133 C CD2 . LEU A 1 17 ? 6.118 -1.874 1.948 1.00 73.30 17 A 1 ATOM 134 N N . ALA A 1 18 ? 4.451 -1.849 6.688 1.00 86.01 18 A 1 ATOM 135 C CA . ALA A 1 18 ? 4.561 -0.686 7.568 1.00 85.45 18 A 1 ATOM 136 C C . ALA A 1 18 ? 5.239 -1.061 8.883 1.00 85.21 18 A 1 ATOM 137 O O . ALA A 1 18 ? 5.149 -2.203 9.335 1.00 80.80 18 A 1 ATOM 138 C CB . ALA A 1 18 ? 3.183 -0.099 7.836 1.00 81.36 18 A 1 ATOM 139 N N . ASP A 1 19 ? 5.917 -0.088 9.477 1.00 82.32 19 A 1 ATOM 140 C CA . ASP A 1 19 ? 6.595 -0.316 10.755 1.00 80.93 19 A 1 ATOM 141 C C . ASP A 1 19 ? 5.576 -0.467 11.883 1.00 81.43 19 A 1 ATOM 142 O O . ASP A 1 19 ? 4.370 -0.336 11.670 1.00 73.79 19 A 1 ATOM 143 C CB . ASP A 1 19 ? 7.567 0.832 11.048 1.00 75.39 19 A 1 ATOM 144 C CG . ASP A 1 19 ? 6.858 2.163 11.172 1.00 69.48 19 A 1 ATOM 145 O OD1 . ASP A 1 19 ? 5.632 2.201 11.147 1.00 65.14 19 A 1 ATOM 146 O OD2 . ASP A 1 19 ? 7.566 3.178 11.296 1.00 65.90 19 A 1 ATOM 147 N N . SER A 1 20 ? 6.058 -0.747 13.076 1.00 78.51 20 A 1 ATOM 148 C CA . SER A 1 20 ? 5.170 -0.949 14.229 1.00 78.82 20 A 1 ATOM 149 C C . SER A 1 20 ? 4.897 0.359 14.960 1.00 75.09 20 A 1 ATOM 150 O O . SER A 1 20 ? 4.494 0.331 16.134 1.00 67.65 20 A 1 ATOM 151 C CB . SER A 1 20 ? 5.789 -1.963 15.184 1.00 71.26 20 A 1 ATOM 152 O OG . SER A 1 20 ? 6.028 -3.178 14.522 1.00 65.56 20 A 1 ATOM 153 O OXT . SER A 1 20 ? 5.055 1.448 14.373 1.00 66.12 20 A 1 #