# 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_spkb30793 # _entry.id spkb30793 # 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 11:12:35)" _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 ? -13.634 -3.065 -3.295 1.00 86.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.316 -3.621 -2.953 1.00 88.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.232 -3.893 -1.455 1.00 89.47 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.222 -3.785 -0.739 1.00 85.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.204 -2.646 -3.359 1.00 83.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.154 -2.425 -4.862 1.00 79.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.881 -1.249 -5.335 1.00 75.74 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.035 -1.315 -7.114 1.00 65.65 1 A 1 ATOM 9 N N . VAL A 1 2 ? -11.038 -4.221 -0.979 1.00 92.33 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -10.844 -4.498 0.444 1.00 94.06 2 A 1 ATOM 11 C C . VAL A 1 2 ? -10.805 -3.201 1.243 1.00 95.86 2 A 1 ATOM 12 O O . VAL A 1 2 ? -10.961 -2.112 0.690 1.00 94.73 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -9.540 -5.264 0.672 1.00 92.03 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -9.651 -6.679 0.131 1.00 87.39 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -8.390 -4.526 0.006 1.00 87.99 2 A 1 ATOM 16 N N . CYS A 1 3 ? -10.587 -3.325 2.555 1.00 94.34 3 A 1 ATOM 17 C CA . CYS A 1 3 ? -10.534 -2.156 3.426 1.00 94.86 3 A 1 ATOM 18 C C . CYS A 1 3 ? -9.273 -1.334 3.153 1.00 95.80 3 A 1 ATOM 19 O O . CYS A 1 3 ? -8.359 -1.786 2.469 1.00 94.71 3 A 1 ATOM 20 C CB . CYS A 1 3 ? -10.564 -2.601 4.888 1.00 91.47 3 A 1 ATOM 21 S SG . CYS A 1 3 ? -12.078 -3.494 5.315 1.00 82.56 3 A 1 ATOM 22 N N . LEU A 1 4 ? -9.226 -0.127 3.708 1.00 95.38 4 A 1 ATOM 23 C CA . LEU A 1 4 ? -8.074 0.759 3.523 1.00 96.61 4 A 1 ATOM 24 C C . LEU A 1 4 ? -6.813 0.141 4.109 1.00 97.33 4 A 1 ATOM 25 O O . LEU A 1 4 ? -5.702 0.442 3.669 1.00 96.81 4 A 1 ATOM 26 C CB . LEU A 1 4 ? -8.348 2.107 4.202 1.00 95.99 4 A 1 ATOM 27 C CG . LEU A 1 4 ? -9.505 2.882 3.578 1.00 91.33 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? -9.811 4.120 4.408 1.00 88.56 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? -9.176 3.279 2.146 1.00 86.26 4 A 1 ATOM 30 N N . LYS A 1 5 ? -6.988 -0.710 5.102 1.00 97.16 5 A 1 ATOM 31 C CA . LYS A 1 5 ? -5.856 -1.373 5.753 1.00 97.35 5 A 1 ATOM 32 C C . LYS A 1 5 ? -5.046 -2.164 4.728 1.00 97.50 5 A 1 ATOM 33 O O . LYS A 1 5 ? -3.820 -2.104 4.714 1.00 97.25 5 A 1 ATOM 34 C CB . LYS A 1 5 ? -6.375 -2.313 6.850 1.00 97.25 5 A 1 ATOM 35 C CG . LYS A 1 5 ? -5.273 -2.821 7.777 1.00 93.10 5 A 1 ATOM 36 C CD . LYS A 1 5 ? -4.685 -1.702 8.603 1.00 89.69 5 A 1 ATOM 37 C CE . LYS A 1 5 ? -3.703 -2.213 9.651 1.00 85.89 5 A 1 ATOM 38 N NZ . LYS A 1 5 ? -4.398 -3.016 10.691 1.00 79.79 5 A 1 ATOM 39 N N . THR A 1 6 ? -5.726 -2.890 3.861 1.00 97.39 6 A 1 ATOM 40 C CA . THR A 1 6 ? -5.052 -3.687 2.840 1.00 97.49 6 A 1 ATOM 41 C C . THR A 1 6 ? -4.359 -2.788 1.822 1.00 97.72 6 A 1 ATOM 42 O O . THR A 1 6 ? -3.217 -3.033 1.433 1.00 97.13 6 A 1 ATOM 43 C CB . THR A 1 6 ? -6.049 -4.595 2.112 1.00 96.99 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? -6.788 -5.361 3.059 1.00 93.21 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? -5.309 -5.536 1.169 1.00 93.20 6 A 1 ATOM 46 N N . LEU A 1 7 ? -5.041 -1.735 1.393 1.00 96.88 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -4.468 -0.791 0.438 1.00 96.71 7 A 1 ATOM 48 C C . LEU A 1 7 ? -3.197 -0.166 0.997 1.00 97.23 7 A 1 ATOM 49 O O . LEU A 1 7 ? -2.227 0.043 0.273 1.00 96.91 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -5.477 0.306 0.102 1.00 96.31 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -6.455 -0.082 -1.008 1.00 91.09 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -7.353 -1.229 -0.565 1.00 87.84 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -7.289 1.127 -1.406 1.00 87.72 7 A 1 ATOM 54 N N . SER A 1 8 ? -3.208 0.130 2.279 1.00 97.27 8 A 1 ATOM 55 C CA . SER A 1 8 ? -2.046 0.732 2.935 1.00 97.40 8 A 1 ATOM 56 C C . SER A 1 8 ? -0.844 -0.203 2.866 1.00 97.69 8 A 1 ATOM 57 O O . SER A 1 8 ? 0.280 0.231 2.607 1.00 97.47 8 A 1 ATOM 58 C CB . SER A 1 8 ? -2.369 1.048 4.395 1.00 96.98 8 A 1 ATOM 59 O OG . SER A 1 8 ? -1.259 1.652 5.021 1.00 88.91 8 A 1 ATOM 60 N N . VAL A 1 9 ? -1.083 -1.489 3.081 1.00 97.12 9 A 1 ATOM 61 C CA . VAL A 1 9 ? -0.007 -2.483 3.039 1.00 97.29 9 A 1 ATOM 62 C C . VAL A 1 9 ? 0.572 -2.581 1.629 1.00 97.71 9 A 1 ATOM 63 O O . VAL A 1 9 ? 1.792 -2.608 1.441 1.00 97.47 9 A 1 ATOM 64 C CB . VAL A 1 9 ? -0.517 -3.863 3.487 1.00 96.91 9 A 1 ATOM 65 C CG1 . VAL A 1 9 ? 0.581 -4.916 3.360 1.00 95.15 9 A 1 ATOM 66 C CG2 . VAL A 1 9 ? -1.009 -3.795 4.926 1.00 94.61 9 A 1 ATOM 67 N N . PHE A 1 10 ? -0.308 -2.625 0.641 1.00 96.61 10 A 1 ATOM 68 C CA . PHE A 1 10 ? 0.130 -2.719 -0.749 1.00 96.64 10 A 1 ATOM 69 C C . PHE A 1 10 ? 0.931 -1.488 -1.151 1.00 97.16 10 A 1 ATOM 70 O O . PHE A 1 10 ? 1.970 -1.600 -1.803 1.00 96.89 10 A 1 ATOM 71 C CB . PHE A 1 10 ? -1.082 -2.867 -1.669 1.00 96.53 10 A 1 ATOM 72 C CG . PHE A 1 10 ? -1.565 -4.294 -1.772 1.00 95.09 10 A 1 ATOM 73 C CD1 . PHE A 1 10 ? -2.114 -4.938 -0.680 1.00 92.87 10 A 1 ATOM 74 C CD2 . PHE A 1 10 ? -1.459 -4.987 -2.971 1.00 93.22 10 A 1 ATOM 75 C CE1 . PHE A 1 10 ? -2.549 -6.251 -0.768 1.00 92.54 10 A 1 ATOM 76 C CE2 . PHE A 1 10 ? -1.898 -6.298 -3.069 1.00 92.10 10 A 1 ATOM 77 C CZ . PHE A 1 10 ? -2.440 -6.931 -1.967 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 ? 1.157 0.931 -1.080 1.00 96.87 11 A 1 ATOM 80 C C . LEU A 1 11 ? 2.516 0.986 -0.397 1.00 97.46 11 A 1 ATOM 81 O O . LEU A 1 11 ? 3.495 1.451 -0.982 1.00 97.37 11 A 1 ATOM 82 C CB . LEU A 1 11 ? 0.307 2.123 -0.638 1.00 96.50 11 A 1 ATOM 83 C CG . LEU A 1 11 ? -0.954 2.310 -1.481 1.00 91.50 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? -1.850 3.369 -0.865 1.00 89.31 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? -0.588 2.693 -2.909 1.00 89.53 11 A 1 ATOM 86 N N . ALA A 1 12 ? 2.576 0.520 0.840 1.00 97.46 12 A 1 ATOM 87 C CA . ALA A 1 12 ? 3.829 0.518 1.590 1.00 97.46 12 A 1 ATOM 88 C C . ALA A 1 12 ? 4.864 -0.369 0.903 1.00 97.86 12 A 1 ATOM 89 O O . ALA A 1 12 ? 6.028 0.009 0.766 1.00 97.48 12 A 1 ATOM 90 C CB . ALA A 1 12 ? 3.583 0.031 3.015 1.00 97.03 12 A 1 ATOM 91 N N . ALA A 1 13 ? 4.440 -1.546 0.468 1.00 97.72 13 A 1 ATOM 92 C CA . ALA A 1 13 ? 5.339 -2.473 -0.209 1.00 97.79 13 A 1 ATOM 93 C C . ALA A 1 13 ? 5.791 -1.908 -1.549 1.00 98.03 13 A 1 ATOM 94 O O . ALA A 1 13 ? 6.959 -2.022 -1.926 1.00 97.57 13 A 1 ATOM 95 C CB . ALA A 1 13 ? 4.646 -3.816 -0.412 1.00 97.40 13 A 1 ATOM 96 N N . PHE A 1 14 ? 4.874 -1.284 -2.271 1.00 97.23 14 A 1 ATOM 97 C CA . PHE A 1 14 ? 5.184 -0.695 -3.565 1.00 97.12 14 A 1 ATOM 98 C C . PHE A 1 14 ? 6.179 0.448 -3.417 1.00 97.51 14 A 1 ATOM 99 O O . PHE A 1 14 ? 7.129 0.559 -4.194 1.00 97.12 14 A 1 ATOM 100 C CB . PHE A 1 14 ? 3.902 -0.181 -4.218 1.00 96.53 14 A 1 ATOM 101 C CG . PHE A 1 14 ? 4.143 0.341 -5.612 1.00 95.18 14 A 1 ATOM 102 C CD1 . PHE A 1 14 ? 4.244 -0.535 -6.681 1.00 93.10 14 A 1 ATOM 103 C CD2 . PHE A 1 14 ? 4.264 1.699 -5.842 1.00 92.99 14 A 1 ATOM 104 C CE1 . PHE A 1 14 ? 4.470 -0.065 -7.963 1.00 92.16 14 A 1 ATOM 105 C CE2 . PHE A 1 14 ? 4.497 2.179 -7.131 1.00 91.96 14 A 1 ATOM 106 C CZ . PHE A 1 14 ? 4.599 1.297 -8.188 1.00 90.88 14 A 1 ATOM 107 N N . ALA A 1 15 ? 5.970 1.294 -2.427 1.00 97.92 15 A 1 ATOM 108 C CA . ALA A 1 15 ? 6.861 2.426 -2.184 1.00 97.95 15 A 1 ATOM 109 C C . ALA A 1 15 ? 8.261 1.949 -1.820 1.00 98.18 15 A 1 ATOM 110 O O . ALA A 1 15 ? 9.258 2.532 -2.245 1.00 97.88 15 A 1 ATOM 111 C CB . ALA A 1 15 ? 6.304 3.294 -1.062 1.00 97.48 15 A 1 ATOM 112 N N . ALA A 1 16 ? 8.344 0.894 -1.030 1.00 97.97 16 A 1 ATOM 113 C CA . ALA A 1 16 ? 9.632 0.346 -0.614 1.00 97.77 16 A 1 ATOM 114 C C . ALA A 1 16 ? 10.392 -0.223 -1.805 1.00 97.93 16 A 1 ATOM 115 O O . ALA A 1 16 ? 11.610 -0.067 -1.910 1.00 97.27 16 A 1 ATOM 116 C CB . ALA A 1 16 ? 9.424 -0.738 0.436 1.00 97.01 16 A 1 ATOM 117 N N . ALA A 1 17 ? 9.685 -0.888 -2.697 1.00 97.55 17 A 1 ATOM 118 C CA . ALA A 1 17 ? 10.302 -1.475 -3.882 1.00 97.37 17 A 1 ATOM 119 C C . ALA A 1 17 ? 10.625 -0.417 -4.930 1.00 97.57 17 A 1 ATOM 120 O O . ALA A 1 17 ? 11.566 -0.572 -5.708 1.00 96.76 17 A 1 ATOM 121 C CB . ALA A 1 17 ? 9.378 -2.533 -4.480 1.00 96.59 17 A 1 ATOM 122 N N . ASP A 1 18 ? 9.849 0.644 -4.944 1.00 95.58 18 A 1 ATOM 123 C CA . ASP A 1 18 ? 10.047 1.724 -5.917 1.00 95.45 18 A 1 ATOM 124 C C . ASP A 1 18 ? 11.398 2.400 -5.728 1.00 95.44 18 A 1 ATOM 125 O O . ASP A 1 18 ? 12.134 2.631 -6.693 1.00 94.02 18 A 1 ATOM 126 C CB . ASP A 1 18 ? 8.938 2.763 -5.779 1.00 93.02 18 A 1 ATOM 127 C CG . ASP A 1 18 ? 9.057 3.829 -6.851 1.00 87.84 18 A 1 ATOM 128 O OD1 . ASP A 1 18 ? 8.879 3.498 -8.032 1.00 86.16 18 A 1 ATOM 129 O OD2 . ASP A 1 18 ? 9.322 4.991 -6.509 1.00 85.04 18 A 1 ATOM 130 N N . ALA A 1 19 ? 11.739 2.731 -4.478 1.00 92.57 19 A 1 ATOM 131 C CA . ALA A 1 19 ? 12.998 3.404 -4.181 1.00 91.29 19 A 1 ATOM 132 C C . ALA A 1 19 ? 13.579 2.917 -2.860 1.00 89.69 19 A 1 ATOM 133 O O . ALA A 1 19 ? 12.974 3.167 -1.811 1.00 84.54 19 A 1 ATOM 134 C CB . ALA A 1 19 ? 12.790 4.913 -4.127 1.00 87.23 19 A 1 ATOM 135 O OXT . ALA A 1 19 ? 14.658 2.299 -2.872 1.00 79.02 19 A 1 #