# 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_spkb30629 # _entry.id spkb30629 # 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" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 VAL 2 1 n CYS 3 1 n LEU 4 1 n LYS 5 1 n THR 6 1 n LEU 7 1 n SER 8 1 n VAL 9 1 n PHE 10 1 n LEU 11 1 n ALA 12 1 n ALA 13 1 n PHE 14 1 n ALA 15 1 n ALA 16 1 n ALA 17 1 n ASP 18 1 n ALA 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 @ 2025-07-13 15:47:01)" _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 93.68 _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 81.80 1 1 A VAL 2 2 92.06 1 2 A CYS 3 2 92.29 1 3 A LEU 4 2 93.53 1 4 A LYS 5 2 92.78 1 5 A THR 6 2 96.16 1 6 A LEU 7 2 93.84 1 7 A SER 8 2 95.95 1 8 A VAL 9 2 96.61 1 9 A PHE 10 2 94.72 1 10 A LEU 11 2 94.43 1 11 A ALA 12 2 97.46 1 12 A ALA 13 2 97.70 1 13 A PHE 14 2 94.71 1 14 A ALA 15 2 97.88 1 15 A ALA 16 2 97.59 1 16 A ALA 17 2 97.17 1 17 A ASP 18 2 91.57 1 18 A ALA 19 2 87.39 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 VAL . 2 A 2 A 3 1 n CYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ASP . 18 A 18 A 19 1 n ALA . 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 ? -13.636 -3.038 -3.266 1.00 86.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.322 -3.607 -2.928 1.00 88.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.235 -3.877 -1.429 1.00 89.47 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.223 -3.766 -0.712 1.00 85.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.202 -2.643 -3.341 1.00 83.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.155 -2.427 -4.845 1.00 79.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.873 -1.266 -5.325 1.00 75.74 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.033 -1.335 -7.103 1.00 65.65 1 A 1 ATOM 9 N N . VAL A 1 2 ? -11.041 -4.206 -0.957 1.00 92.33 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -10.844 -4.480 0.467 1.00 94.06 2 A 1 ATOM 11 C C . VAL A 1 2 ? -10.804 -3.182 1.264 1.00 95.86 2 A 1 ATOM 12 O O . VAL A 1 2 ? -10.960 -2.093 0.709 1.00 94.73 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -9.538 -5.245 0.693 1.00 92.03 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -9.652 -6.661 0.155 1.00 87.39 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -8.391 -4.509 0.022 1.00 87.99 2 A 1 ATOM 16 N N . CYS A 1 3 ? -10.584 -3.305 2.576 1.00 94.34 3 A 1 ATOM 17 C CA . CYS A 1 3 ? -10.529 -2.134 3.445 1.00 94.86 3 A 1 ATOM 18 C C . CYS A 1 3 ? -9.267 -1.313 3.170 1.00 95.80 3 A 1 ATOM 19 O O . CYS A 1 3 ? -8.355 -1.768 2.485 1.00 94.71 3 A 1 ATOM 20 C CB . CYS A 1 3 ? -10.559 -2.578 4.908 1.00 91.47 3 A 1 ATOM 21 S SG . CYS A 1 3 ? -12.074 -3.468 5.336 1.00 82.56 3 A 1 ATOM 22 N N . LEU A 1 4 ? -9.217 -0.108 3.725 1.00 95.38 4 A 1 ATOM 23 C CA . LEU A 1 4 ? -8.064 0.776 3.539 1.00 96.61 4 A 1 ATOM 24 C C . LEU A 1 4 ? -6.803 0.156 4.123 1.00 97.33 4 A 1 ATOM 25 O O . LEU A 1 4 ? -5.692 0.455 3.681 1.00 96.81 4 A 1 ATOM 26 C CB . LEU A 1 4 ? -8.334 2.124 4.218 1.00 95.99 4 A 1 ATOM 27 C CG . LEU A 1 4 ? -9.491 2.902 3.596 1.00 91.33 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? -9.795 4.140 4.427 1.00 88.56 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? -9.162 3.300 2.164 1.00 86.26 4 A 1 ATOM 30 N N . LYS A 1 5 ? -6.979 -0.695 5.116 1.00 97.16 5 A 1 ATOM 31 C CA . LYS A 1 5 ? -5.846 -1.359 5.765 1.00 97.35 5 A 1 ATOM 32 C C . LYS A 1 5 ? -5.039 -2.152 4.738 1.00 97.50 5 A 1 ATOM 33 O O . LYS A 1 5 ? -3.814 -2.094 4.722 1.00 97.25 5 A 1 ATOM 34 C CB . LYS A 1 5 ? -6.364 -2.297 6.863 1.00 97.25 5 A 1 ATOM 35 C CG . LYS A 1 5 ? -5.261 -2.807 7.788 1.00 93.10 5 A 1 ATOM 36 C CD . LYS A 1 5 ? -4.670 -1.687 8.612 1.00 89.69 5 A 1 ATOM 37 C CE . LYS A 1 5 ? -3.687 -2.200 9.658 1.00 85.89 5 A 1 ATOM 38 N NZ . LYS A 1 5 ? -4.381 -2.999 10.701 1.00 79.79 5 A 1 ATOM 39 N N . THR A 1 6 ? -5.721 -2.876 3.874 1.00 97.39 6 A 1 ATOM 40 C CA . THR A 1 6 ? -5.051 -3.675 2.853 1.00 97.49 6 A 1 ATOM 41 C C . THR A 1 6 ? -4.359 -2.777 1.832 1.00 97.72 6 A 1 ATOM 42 O O . THR A 1 6 ? -3.218 -3.025 1.440 1.00 97.13 6 A 1 ATOM 43 C CB . THR A 1 6 ? -6.051 -4.583 2.127 1.00 96.99 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? -6.789 -5.345 3.076 1.00 93.21 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? -5.314 -5.526 1.184 1.00 93.20 6 A 1 ATOM 46 N N . LEU A 1 7 ? -5.040 -1.725 1.405 1.00 96.88 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -4.467 -0.781 0.448 1.00 96.71 7 A 1 ATOM 48 C C . LEU A 1 7 ? -3.193 -0.159 1.004 1.00 97.23 7 A 1 ATOM 49 O O . LEU A 1 7 ? -2.224 0.048 0.278 1.00 96.91 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -5.475 0.318 0.115 1.00 96.31 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -6.455 -0.068 -0.994 1.00 91.09 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -7.354 -1.214 -0.550 1.00 87.84 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -7.287 1.142 -1.391 1.00 87.72 7 A 1 ATOM 54 N N . SER A 1 8 ? -3.201 0.138 2.286 1.00 97.27 8 A 1 ATOM 55 C CA . SER A 1 8 ? -2.037 0.737 2.939 1.00 97.40 8 A 1 ATOM 56 C C . SER A 1 8 ? -0.836 -0.201 2.868 1.00 97.69 8 A 1 ATOM 57 O O . SER A 1 8 ? 0.287 0.231 2.607 1.00 97.47 8 A 1 ATOM 58 C CB . SER A 1 8 ? -2.356 1.054 4.400 1.00 96.98 8 A 1 ATOM 59 O OG . SER A 1 8 ? -1.243 1.656 5.023 1.00 88.91 8 A 1 ATOM 60 N N . VAL A 1 9 ? -1.078 -1.486 3.083 1.00 97.12 9 A 1 ATOM 61 C CA . VAL A 1 9 ? -0.004 -2.482 3.038 1.00 97.29 9 A 1 ATOM 62 C C . VAL A 1 9 ? 0.571 -2.581 1.626 1.00 97.71 9 A 1 ATOM 63 O O . VAL A 1 9 ? 1.791 -2.611 1.436 1.00 97.47 9 A 1 ATOM 64 C CB . VAL A 1 9 ? -0.516 -3.861 3.488 1.00 96.91 9 A 1 ATOM 65 C CG1 . VAL A 1 9 ? 0.579 -4.917 3.358 1.00 95.15 9 A 1 ATOM 66 C CG2 . VAL A 1 9 ? -1.004 -3.792 4.928 1.00 94.61 9 A 1 ATOM 67 N N . PHE A 1 10 ? -0.310 -2.624 0.641 1.00 96.61 10 A 1 ATOM 68 C CA . PHE A 1 10 ? 0.123 -2.718 -0.750 1.00 96.64 10 A 1 ATOM 69 C C . PHE A 1 10 ? 0.927 -1.488 -1.153 1.00 97.16 10 A 1 ATOM 70 O O . PHE A 1 10 ? 1.964 -1.602 -1.807 1.00 96.89 10 A 1 ATOM 71 C CB . PHE A 1 10 ? -1.091 -2.863 -1.667 1.00 96.53 10 A 1 ATOM 72 C CG . PHE A 1 10 ? -1.576 -4.289 -1.769 1.00 95.09 10 A 1 ATOM 73 C CD1 . PHE A 1 10 ? -2.126 -4.932 -0.676 1.00 92.87 10 A 1 ATOM 74 C CD2 . PHE A 1 10 ? -1.473 -4.982 -2.968 1.00 93.22 10 A 1 ATOM 75 C CE1 . PHE A 1 10 ? -2.564 -6.244 -0.763 1.00 92.54 10 A 1 ATOM 76 C CE2 . PHE A 1 10 ? -1.915 -6.293 -3.064 1.00 92.10 10 A 1 ATOM 77 C CZ . PHE A 1 10 ? -2.458 -6.924 -1.962 1.00 92.23 10 A 1 ATOM 78 N N . LEU A 1 11 ? 0.464 -0.312 -0.760 1.00 96.93 11 A 1 ATOM 79 C CA . LEU A 1 11 ? 1.158 0.930 -1.082 1.00 96.87 11 A 1 ATOM 80 C C . LEU A 1 11 ? 2.520 0.981 -0.402 1.00 97.46 11 A 1 ATOM 81 O O . LEU A 1 11 ? 3.498 1.445 -0.989 1.00 97.37 11 A 1 ATOM 82 C CB . LEU A 1 11 ? 0.312 2.123 -0.637 1.00 96.50 11 A 1 ATOM 83 C CG . LEU A 1 11 ? -0.949 2.314 -1.478 1.00 91.50 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? -1.843 3.373 -0.859 1.00 89.31 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? -0.586 2.698 -2.906 1.00 89.53 11 A 1 ATOM 86 N N . ALA A 1 12 ? 2.582 0.514 0.835 1.00 97.46 12 A 1 ATOM 87 C CA . ALA A 1 12 ? 3.835 0.509 1.582 1.00 97.46 12 A 1 ATOM 88 C C . ALA A 1 12 ? 4.867 -0.380 0.892 1.00 97.86 12 A 1 ATOM 89 O O . ALA A 1 12 ? 6.032 -0.004 0.753 1.00 97.48 12 A 1 ATOM 90 C CB . ALA A 1 12 ? 3.592 0.022 3.007 1.00 97.03 12 A 1 ATOM 91 N N . ALA A 1 13 ? 4.439 -1.555 0.457 1.00 97.72 13 A 1 ATOM 92 C CA . ALA A 1 13 ? 5.335 -2.484 -0.222 1.00 97.79 13 A 1 ATOM 93 C C . ALA A 1 13 ? 5.785 -1.920 -1.563 1.00 98.03 13 A 1 ATOM 94 O O . ALA A 1 13 ? 6.951 -2.036 -1.943 1.00 97.57 13 A 1 ATOM 95 C CB . ALA A 1 13 ? 4.637 -3.826 -0.424 1.00 97.40 13 A 1 ATOM 96 N N . PHE A 1 14 ? 4.867 -1.292 -2.282 1.00 97.23 14 A 1 ATOM 97 C CA . PHE A 1 14 ? 5.176 -0.703 -3.577 1.00 97.12 14 A 1 ATOM 98 C C . PHE A 1 14 ? 6.174 0.436 -3.431 1.00 97.51 14 A 1 ATOM 99 O O . PHE A 1 14 ? 7.123 0.546 -4.209 1.00 97.12 14 A 1 ATOM 100 C CB . PHE A 1 14 ? 3.894 -0.185 -4.226 1.00 96.53 14 A 1 ATOM 101 C CG . PHE A 1 14 ? 4.131 0.337 -5.621 1.00 95.18 14 A 1 ATOM 102 C CD1 . PHE A 1 14 ? 4.228 -0.539 -6.690 1.00 93.10 14 A 1 ATOM 103 C CD2 . PHE A 1 14 ? 4.256 1.694 -5.850 1.00 92.99 14 A 1 ATOM 104 C CE1 . PHE A 1 14 ? 4.452 -0.068 -7.973 1.00 92.16 14 A 1 ATOM 105 C CE2 . PHE A 1 14 ? 4.487 2.174 -7.139 1.00 91.96 14 A 1 ATOM 106 C CZ . PHE A 1 14 ? 4.585 1.293 -8.196 1.00 90.88 14 A 1 ATOM 107 N N . ALA A 1 15 ? 5.969 1.282 -2.439 1.00 97.92 15 A 1 ATOM 108 C CA . ALA A 1 15 ? 6.865 2.411 -2.198 1.00 97.95 15 A 1 ATOM 109 C C . ALA A 1 15 ? 8.263 1.930 -1.837 1.00 98.18 15 A 1 ATOM 110 O O . ALA A 1 15 ? 9.261 2.512 -2.264 1.00 97.88 15 A 1 ATOM 111 C CB . ALA A 1 15 ? 6.312 3.280 -1.073 1.00 97.48 15 A 1 ATOM 112 N N . ALA A 1 16 ? 8.346 0.875 -1.049 1.00 97.97 16 A 1 ATOM 113 C CA . ALA A 1 16 ? 9.634 0.323 -0.636 1.00 97.77 16 A 1 ATOM 114 C C . ALA A 1 16 ? 10.389 -0.248 -1.829 1.00 97.93 16 A 1 ATOM 115 O O . ALA A 1 16 ? 11.607 -0.094 -1.937 1.00 97.27 16 A 1 ATOM 116 C CB . ALA A 1 16 ? 9.424 -0.762 0.414 1.00 97.01 16 A 1 ATOM 117 N N . ALA A 1 17 ? 9.678 -0.909 -2.720 1.00 97.55 17 A 1 ATOM 118 C CA . ALA A 1 17 ? 10.291 -1.497 -3.907 1.00 97.37 17 A 1 ATOM 119 C C . ALA A 1 17 ? 10.614 -0.439 -4.954 1.00 97.57 17 A 1 ATOM 120 O O . ALA A 1 17 ? 11.553 -0.595 -5.735 1.00 96.76 17 A 1 ATOM 121 C CB . ALA A 1 17 ? 9.362 -2.552 -4.503 1.00 96.59 17 A 1 ATOM 122 N N . ASP A 1 18 ? 9.841 0.623 -4.966 1.00 95.58 18 A 1 ATOM 123 C CA . ASP A 1 18 ? 10.039 1.704 -5.939 1.00 95.45 18 A 1 ATOM 124 C C . ASP A 1 18 ? 11.391 2.376 -5.752 1.00 95.44 18 A 1 ATOM 125 O O . ASP A 1 18 ? 12.127 2.607 -6.719 1.00 94.02 18 A 1 ATOM 126 C CB . ASP A 1 18 ? 8.933 2.745 -5.798 1.00 93.02 18 A 1 ATOM 127 C CG . ASP A 1 18 ? 9.052 3.810 -6.869 1.00 87.84 18 A 1 ATOM 128 O OD1 . ASP A 1 18 ? 8.873 3.480 -8.051 1.00 86.16 18 A 1 ATOM 129 O OD2 . ASP A 1 18 ? 9.318 4.973 -6.527 1.00 85.04 18 A 1 ATOM 130 N N . ALA A 1 19 ? 11.736 2.706 -4.503 1.00 92.57 19 A 1 ATOM 131 C CA . ALA A 1 19 ? 12.997 3.376 -4.208 1.00 91.29 19 A 1 ATOM 132 C C . ALA A 1 19 ? 13.577 2.890 -2.885 1.00 89.69 19 A 1 ATOM 133 O O . ALA A 1 19 ? 12.973 3.143 -1.837 1.00 84.54 19 A 1 ATOM 134 C CB . ALA A 1 19 ? 12.793 4.885 -4.156 1.00 87.23 19 A 1 ATOM 135 O OXT . ALA A 1 19 ? 14.655 2.269 -2.897 1.00 79.02 19 A 1 #