# 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_spkb40217 # _entry.id spkb40217 # 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" "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" "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" "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 LEU 4 1 n TRP 5 1 n ALA 6 1 n LEU 7 1 n ALA 8 1 n VAL 9 1 n LEU 10 1 n SER 11 1 n HIS 12 1 n LEU 13 1 n PRO 14 1 n LEU 15 1 n LEU 16 1 n ASP 17 1 n ALA 18 # _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 @ 2025-07-08 18:31:11)" _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 90.69 _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 84.28 1 1 A ALA 2 2 93.64 1 2 A LEU 3 2 94.25 1 3 A LEU 4 2 94.81 1 4 A TRP 5 2 91.10 1 5 A ALA 6 2 95.15 1 6 A LEU 7 2 93.12 1 7 A ALA 8 2 95.65 1 8 A VAL 9 2 94.04 1 9 A LEU 10 2 93.05 1 10 A SER 11 2 93.43 1 11 A HIS 12 2 87.42 1 12 A LEU 13 2 91.28 1 13 A PRO 14 2 92.89 1 14 A LEU 15 2 91.70 1 15 A LEU 16 2 89.34 1 16 A ASP 17 2 80.14 1 17 A ALA 18 2 81.36 1 18 # _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 LEU . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n HIS . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -3.705 -0.369 15.932 1.00 90.18 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.913 0.627 15.184 1.00 90.52 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.023 -0.050 14.134 1.00 91.57 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.334 0.613 13.377 1.00 91.05 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.036 1.404 16.160 1.00 85.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.887 2.282 17.073 1.00 80.36 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.890 3.069 18.340 1.00 76.90 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.133 4.120 19.081 1.00 67.75 1 A 1 ATOM 9 N N . ALA A 1 2 ? -2.040 -1.361 14.084 1.00 91.72 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -1.226 -2.097 13.105 1.00 94.19 2 A 1 ATOM 11 C C . ALA A 1 2 ? -1.955 -2.247 11.770 1.00 95.68 2 A 1 ATOM 12 O O . ALA A 1 2 ? -1.368 -2.096 10.703 1.00 94.41 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -0.875 -3.468 13.671 1.00 92.22 2 A 1 ATOM 14 N N . LEU A 1 3 ? -3.248 -2.544 11.811 1.00 96.43 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -4.043 -2.714 10.586 1.00 96.46 3 A 1 ATOM 16 C C . LEU A 1 3 ? -4.159 -1.395 9.827 1.00 96.71 3 A 1 ATOM 17 O O . LEU A 1 3 ? -4.052 -1.359 8.605 1.00 96.27 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -5.437 -3.233 10.967 1.00 96.18 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -5.588 -4.727 10.697 1.00 92.38 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -6.788 -5.268 11.477 1.00 90.08 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -5.802 -4.966 9.208 1.00 89.50 3 A 1 ATOM 22 N N . LEU A 1 4 ? -4.365 -0.306 10.524 1.00 96.90 4 A 1 ATOM 23 C CA . LEU A 1 4 ? -4.493 1.018 9.895 1.00 96.71 4 A 1 ATOM 24 C C . LEU A 1 4 ? -3.161 1.461 9.289 1.00 96.64 4 A 1 ATOM 25 O O . LEU A 1 4 ? -3.127 2.140 8.271 1.00 96.46 4 A 1 ATOM 26 C CB . LEU A 1 4 ? -4.948 2.026 10.955 1.00 96.62 4 A 1 ATOM 27 C CG . LEU A 1 4 ? -6.285 1.646 11.597 1.00 93.12 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? -6.527 2.542 12.814 1.00 91.21 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? -7.426 1.821 10.603 1.00 90.78 4 A 1 ATOM 30 N N . TRP A 1 5 ? -2.052 1.078 9.901 1.00 95.45 5 A 1 ATOM 31 C CA . TRP A 1 5 ? -0.721 1.463 9.408 1.00 95.32 5 A 1 ATOM 32 C C . TRP A 1 5 ? -0.408 0.740 8.098 1.00 95.89 5 A 1 ATOM 33 O O . TRP A 1 5 ? 0.075 1.343 7.144 1.00 95.63 5 A 1 ATOM 34 C CB . TRP A 1 5 ? 0.327 1.107 10.460 1.00 94.94 5 A 1 ATOM 35 C CG . TRP A 1 5 ? 1.649 1.705 10.119 1.00 92.86 5 A 1 ATOM 36 C CD1 . TRP A 1 5 ? 2.066 2.965 10.415 1.00 88.87 5 A 1 ATOM 37 C CD2 . TRP A 1 5 ? 2.736 1.075 9.401 1.00 91.07 5 A 1 ATOM 38 N NE1 . TRP A 1 5 ? 3.339 3.159 9.923 1.00 88.33 5 A 1 ATOM 39 C CE2 . TRP A 1 5 ? 3.779 2.024 9.297 1.00 89.42 5 A 1 ATOM 40 C CE3 . TRP A 1 5 ? 2.919 -0.190 8.836 1.00 88.54 5 A 1 ATOM 41 C CZ2 . TRP A 1 5 ? 4.986 1.726 8.646 1.00 87.97 5 A 1 ATOM 42 C CZ3 . TRP A 1 5 ? 4.117 -0.484 8.187 1.00 85.40 5 A 1 ATOM 43 C CH2 . TRP A 1 5 ? 5.137 0.469 8.096 1.00 85.71 5 A 1 ATOM 44 N N . ALA A 1 6 ? -0.689 -0.541 8.019 1.00 95.75 6 A 1 ATOM 45 C CA . ALA A 1 6 ? -0.423 -1.325 6.806 1.00 95.32 6 A 1 ATOM 46 C C . ALA A 1 6 ? -1.213 -0.779 5.614 1.00 95.60 6 A 1 ATOM 47 O O . ALA A 1 6 ? -0.731 -0.787 4.485 1.00 94.21 6 A 1 ATOM 48 C CB . ALA A 1 6 ? -0.798 -2.779 7.064 1.00 94.88 6 A 1 ATOM 49 N N . LEU A 1 7 ? -2.413 -0.302 5.848 1.00 95.57 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -3.257 0.236 4.774 1.00 95.25 7 A 1 ATOM 51 C C . LEU A 1 7 ? -2.678 1.543 4.236 1.00 95.20 7 A 1 ATOM 52 O O . LEU A 1 7 ? -2.735 1.809 3.038 1.00 94.58 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -4.670 0.462 5.321 1.00 95.07 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -5.737 0.185 4.267 1.00 91.01 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -6.928 -0.524 4.910 1.00 89.16 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -6.198 1.479 3.629 1.00 89.12 7 A 1 ATOM 57 N N . ALA A 1 8 ? -2.117 2.360 5.101 1.00 96.09 8 A 1 ATOM 58 C CA . ALA A 1 8 ? -1.527 3.644 4.697 1.00 95.92 8 A 1 ATOM 59 C C . ALA A 1 8 ? -0.319 3.420 3.786 1.00 95.91 8 A 1 ATOM 60 O O . ALA A 1 8 ? -0.077 4.192 2.863 1.00 94.58 8 A 1 ATOM 61 C CB . ALA A 1 8 ? -1.103 4.416 5.944 1.00 95.77 8 A 1 ATOM 62 N N . VAL A 1 9 ? 0.443 2.369 4.033 1.00 95.11 9 A 1 ATOM 63 C CA . VAL A 1 9 ? 1.634 2.064 3.224 1.00 94.63 9 A 1 ATOM 64 C C . VAL A 1 9 ? 1.224 1.584 1.831 1.00 94.74 9 A 1 ATOM 65 O O . VAL A 1 9 ? 1.870 1.908 0.835 1.00 93.99 9 A 1 ATOM 66 C CB . VAL A 1 9 ? 2.480 0.985 3.917 1.00 94.27 9 A 1 ATOM 67 C CG1 . VAL A 1 9 ? 3.710 0.655 3.083 1.00 92.84 9 A 1 ATOM 68 C CG2 . VAL A 1 9 ? 2.908 1.471 5.296 1.00 92.69 9 A 1 ATOM 69 N N . LEU A 1 10 ? 0.156 0.810 1.733 1.00 95.44 10 A 1 ATOM 70 C CA . LEU A 1 10 ? -0.316 0.285 0.449 1.00 94.84 10 A 1 ATOM 71 C C . LEU A 1 10 ? -0.971 1.388 -0.384 1.00 94.88 10 A 1 ATOM 72 O O . LEU A 1 10 ? -1.080 1.275 -1.597 1.00 94.31 10 A 1 ATOM 73 C CB . LEU A 1 10 ? -1.328 -0.843 0.708 1.00 94.62 10 A 1 ATOM 74 C CG . LEU A 1 10 ? -0.687 -2.231 0.692 1.00 91.89 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? -0.095 -2.513 -0.682 1.00 89.04 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? 0.400 -2.318 1.748 1.00 89.35 10 A 1 ATOM 77 N N . SER A 1 11 ? -1.401 2.460 0.243 1.00 95.32 11 A 1 ATOM 78 C CA . SER A 1 11 ? -2.052 3.578 -0.454 1.00 94.97 11 A 1 ATOM 79 C C . SER A 1 11 ? -1.104 4.238 -1.454 1.00 94.99 11 A 1 ATOM 80 O O . SER A 1 11 ? -1.540 4.768 -2.472 1.00 93.45 11 A 1 ATOM 81 C CB . SER A 1 11 ? -2.518 4.615 0.567 1.00 93.96 11 A 1 ATOM 82 O OG . SER A 1 11 ? -3.741 4.211 1.144 1.00 87.90 11 A 1 ATOM 83 N N . HIS A 1 12 ? 0.191 4.212 -1.186 1.00 92.73 12 A 1 ATOM 84 C CA . HIS A 1 12 ? 1.177 4.838 -2.077 1.00 92.98 12 A 1 ATOM 85 C C . HIS A 1 12 ? 1.842 3.792 -2.980 1.00 94.45 12 A 1 ATOM 86 O O . HIS A 1 12 ? 2.859 4.067 -3.610 1.00 92.17 12 A 1 ATOM 87 C CB . HIS A 1 12 ? 2.228 5.580 -1.234 1.00 91.64 12 A 1 ATOM 88 C CG . HIS A 1 12 ? 3.279 4.662 -0.687 1.00 89.28 12 A 1 ATOM 89 N ND1 . HIS A 1 12 ? 4.590 5.050 -0.540 1.00 79.34 12 A 1 ATOM 90 C CD2 . HIS A 1 12 ? 3.210 3.384 -0.263 1.00 80.04 12 A 1 ATOM 91 C CE1 . HIS A 1 12 ? 5.282 4.047 -0.035 1.00 80.35 12 A 1 ATOM 92 N NE2 . HIS A 1 12 ? 4.470 3.007 0.147 1.00 81.21 12 A 1 ATOM 93 N N . LEU A 1 13 ? 1.288 2.597 -3.068 1.00 93.77 13 A 1 ATOM 94 C CA . LEU A 1 13 ? 1.849 1.527 -3.905 1.00 93.61 13 A 1 ATOM 95 C C . LEU A 1 13 ? 0.759 0.887 -4.769 1.00 94.31 13 A 1 ATOM 96 O O . LEU A 1 13 ? 0.508 -0.313 -4.679 1.00 92.69 13 A 1 ATOM 97 C CB . LEU A 1 13 ? 2.506 0.481 -3.002 1.00 92.69 13 A 1 ATOM 98 C CG . LEU A 1 13 ? 4.027 0.569 -3.009 1.00 90.70 13 A 1 ATOM 99 C CD1 . LEU A 1 13 ? 4.482 1.727 -2.140 1.00 86.87 13 A 1 ATOM 100 C CD2 . LEU A 1 13 ? 4.619 -0.738 -2.493 1.00 85.62 13 A 1 ATOM 101 N N . PRO A 1 14 ? 0.130 1.670 -5.657 1.00 94.03 14 A 1 ATOM 102 C CA . PRO A 1 14 ? -0.943 1.153 -6.521 1.00 93.78 14 A 1 ATOM 103 C C . PRO A 1 14 ? -0.407 0.320 -7.683 1.00 94.23 14 A 1 ATOM 104 O O . PRO A 1 14 ? -1.094 -0.556 -8.199 1.00 91.65 14 A 1 ATOM 105 C CB . PRO A 1 14 ? -1.632 2.426 -7.029 1.00 92.03 14 A 1 ATOM 106 C CG . PRO A 1 14 ? -0.543 3.457 -7.018 1.00 91.15 14 A 1 ATOM 107 C CD . PRO A 1 14 ? 0.359 3.103 -5.851 1.00 93.35 14 A 1 ATOM 108 N N . LEU A 1 15 ? 0.826 0.591 -8.120 1.00 94.46 15 A 1 ATOM 109 C CA . LEU A 1 15 ? 1.443 -0.148 -9.233 1.00 94.26 15 A 1 ATOM 110 C C . LEU A 1 15 ? 1.838 -1.560 -8.807 1.00 94.36 15 A 1 ATOM 111 O O . LEU A 1 15 ? 1.705 -2.505 -9.581 1.00 92.72 15 A 1 ATOM 112 C CB . LEU A 1 15 ? 2.683 0.619 -9.704 1.00 93.93 15 A 1 ATOM 113 C CG . LEU A 1 15 ? 2.321 1.886 -10.473 1.00 91.58 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? 3.465 2.889 -10.383 1.00 87.54 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 2.074 1.535 -11.940 1.00 84.77 15 A 1 ATOM 116 N N . LEU A 1 16 ? 2.341 -1.712 -7.598 1.00 93.70 16 A 1 ATOM 117 C CA . LEU A 1 16 ? 2.743 -3.031 -7.084 1.00 92.48 16 A 1 ATOM 118 C C . LEU A 1 16 ? 1.533 -3.912 -6.793 1.00 92.40 16 A 1 ATOM 119 O O . LEU A 1 16 ? 1.671 -4.980 -6.204 1.00 90.78 16 A 1 ATOM 120 C CB . LEU A 1 16 ? 3.574 -2.838 -5.808 1.00 91.76 16 A 1 ATOM 121 C CG . LEU A 1 16 ? 5.069 -3.018 -6.059 1.00 89.55 16 A 1 ATOM 122 C CD1 . LEU A 1 16 ? 5.845 -2.719 -4.786 1.00 83.74 16 A 1 ATOM 123 C CD2 . LEU A 1 16 ? 5.344 -4.465 -6.486 1.00 80.33 16 A 1 ATOM 124 N N . ASP A 1 17 ? 0.368 -3.483 -7.227 1.00 86.23 17 A 1 ATOM 125 C CA . ASP A 1 17 ? -0.866 -4.255 -7.014 1.00 85.01 17 A 1 ATOM 126 C C . ASP A 1 17 ? -0.973 -5.392 -8.040 1.00 84.83 17 A 1 ATOM 127 O O . ASP A 1 17 ? -2.057 -5.799 -8.449 1.00 83.13 17 A 1 ATOM 128 C CB . ASP A 1 17 ? -2.051 -3.290 -7.145 1.00 81.56 17 A 1 ATOM 129 C CG . ASP A 1 17 ? -3.308 -4.012 -7.540 1.00 75.93 17 A 1 ATOM 130 O OD1 . ASP A 1 17 ? -3.553 -5.101 -7.014 1.00 72.80 17 A 1 ATOM 131 O OD2 . ASP A 1 17 ? -4.042 -3.483 -8.385 1.00 71.66 17 A 1 ATOM 132 N N . ALA A 1 18 ? 0.166 -5.934 -8.473 1.00 86.92 18 A 1 ATOM 133 C CA . ALA A 1 18 ? 0.187 -7.010 -9.465 1.00 86.31 18 A 1 ATOM 134 C C . ALA A 1 18 ? -0.689 -8.187 -9.025 1.00 82.31 18 A 1 ATOM 135 O O . ALA A 1 18 ? -0.554 -8.643 -7.884 1.00 77.72 18 A 1 ATOM 136 C CB . ALA A 1 18 ? 1.619 -7.483 -9.677 1.00 81.69 18 A 1 ATOM 137 O OXT . ALA A 1 18 ? -1.482 -8.684 -9.835 1.00 73.18 18 A 1 #