# 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_spkb36775 # _entry.id spkb36775 # 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 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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 LYS 2 1 n PHE 3 1 n MET 4 1 n SER 5 1 n ALA 6 1 n THR 7 1 n ALA 8 1 n VAL 9 1 n PHE 10 1 n ALA 11 1 n ALA 12 1 n ALA 13 1 n LEU 14 1 n SER 15 1 n SER 16 1 n VAL 17 1 n THR 18 1 n GLU 19 1 n ALA 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 @ 2025-07-04 01:16:20)" _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 87.98 _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 81.93 1 1 A LYS 2 2 82.08 1 2 A PHE 3 2 80.84 1 3 A MET 4 2 85.03 1 4 A SER 5 2 86.41 1 5 A ALA 6 2 92.36 1 6 A THR 7 2 91.36 1 7 A ALA 8 2 94.33 1 8 A VAL 9 2 93.06 1 9 A PHE 10 2 89.22 1 10 A ALA 11 2 94.51 1 11 A ALA 12 2 93.84 1 12 A ALA 13 2 94.77 1 13 A LEU 14 2 91.66 1 14 A SER 15 2 91.06 1 15 A SER 16 2 91.54 1 16 A VAL 17 2 92.93 1 17 A THR 18 2 89.77 1 18 A GLU 19 2 79.78 1 19 A ALA 20 2 79.31 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 LYS . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n ALA . 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 ? -2.702 14.075 -1.075 1.00 85.73 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.221 12.719 -1.307 1.00 87.74 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.591 11.708 -0.349 1.00 89.24 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.096 10.664 -0.762 1.00 85.16 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.947 12.295 -2.749 1.00 82.75 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.488 12.429 -3.143 1.00 80.48 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.225 12.003 -4.873 1.00 77.38 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.528 12.307 -5.007 1.00 66.97 1 A 1 ATOM 9 N N . LYS A 1 2 ? -2.624 12.039 0.920 1.00 87.21 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -2.053 11.171 1.947 1.00 89.28 2 A 1 ATOM 11 C C . LYS A 1 2 ? -2.909 9.922 2.142 1.00 89.54 2 A 1 ATOM 12 O O . LYS A 1 2 ? -2.387 8.839 2.391 1.00 89.01 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -1.938 11.940 3.265 1.00 86.86 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -3.265 12.498 3.743 1.00 80.64 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -3.087 13.314 5.006 1.00 79.05 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -4.408 13.894 5.461 1.00 71.43 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -4.231 14.762 6.654 1.00 65.67 2 A 1 ATOM 18 N N . PHE A 1 3 ? -4.221 10.084 2.017 1.00 81.99 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -5.153 8.977 2.178 1.00 85.06 3 A 1 ATOM 20 C C . PHE A 1 3 ? -5.036 7.986 1.028 1.00 89.11 3 A 1 ATOM 21 O O . PHE A 1 3 ? -4.880 6.782 1.240 1.00 86.70 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -6.583 9.513 2.264 1.00 82.26 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -7.603 8.411 2.359 1.00 80.13 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -7.690 7.640 3.498 1.00 79.11 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -8.457 8.147 1.303 1.00 77.73 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -8.617 6.618 3.596 1.00 76.32 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -9.389 7.120 1.386 1.00 76.38 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -9.471 6.356 2.535 1.00 74.44 3 A 1 ATOM 29 N N . MET A 1 4 ? -5.112 8.488 -0.184 1.00 90.64 4 A 1 ATOM 30 C CA . MET A 1 4 ? -5.008 7.637 -1.369 1.00 91.70 4 A 1 ATOM 31 C C . MET A 1 4 ? -3.631 6.983 -1.439 1.00 93.88 4 A 1 ATOM 32 O O . MET A 1 4 ? -3.502 5.820 -1.817 1.00 92.34 4 A 1 ATOM 33 C CB . MET A 1 4 ? -5.259 8.463 -2.629 1.00 88.72 4 A 1 ATOM 34 C CG . MET A 1 4 ? -6.653 9.035 -2.699 1.00 82.53 4 A 1 ATOM 35 S SD . MET A 1 4 ? -6.977 9.914 -4.227 1.00 75.70 4 A 1 ATOM 36 C CE . MET A 1 4 ? -7.067 8.533 -5.369 1.00 64.77 4 A 1 ATOM 37 N N . SER A 1 5 ? -2.623 7.720 -1.065 1.00 86.32 5 A 1 ATOM 38 C CA . SER A 1 5 ? -1.254 7.214 -1.064 1.00 89.10 5 A 1 ATOM 39 C C . SER A 1 5 ? -1.112 6.053 -0.084 1.00 91.95 5 A 1 ATOM 40 O O . SER A 1 5 ? -0.452 5.056 -0.375 1.00 91.00 5 A 1 ATOM 41 C CB . SER A 1 5 ? -0.279 8.328 -0.687 1.00 85.68 5 A 1 ATOM 42 O OG . SER A 1 5 ? 1.046 7.840 -0.688 1.00 74.42 5 A 1 ATOM 43 N N . ALA A 1 6 ? -1.736 6.184 1.062 1.00 90.00 6 A 1 ATOM 44 C CA . ALA A 1 6 ? -1.691 5.146 2.085 1.00 92.66 6 A 1 ATOM 45 C C . ALA A 1 6 ? -2.311 3.852 1.571 1.00 94.76 6 A 1 ATOM 46 O O . ALA A 1 6 ? -1.821 2.758 1.857 1.00 93.46 6 A 1 ATOM 47 C CB . ALA A 1 6 ? -2.423 5.617 3.333 1.00 90.92 6 A 1 ATOM 48 N N . THR A 1 7 ? -3.369 3.984 0.815 1.00 92.69 7 A 1 ATOM 49 C CA . THR A 1 7 ? -4.058 2.829 0.250 1.00 93.30 7 A 1 ATOM 50 C C . THR A 1 7 ? -3.145 2.076 -0.710 1.00 94.61 7 A 1 ATOM 51 O O . THR A 1 7 ? -3.088 0.847 -0.706 1.00 93.87 7 A 1 ATOM 52 C CB . THR A 1 7 ? -5.323 3.258 -0.500 1.00 92.08 7 A 1 ATOM 53 O OG1 . THR A 1 7 ? -6.167 4.009 0.370 1.00 87.16 7 A 1 ATOM 54 C CG2 . THR A 1 7 ? -6.077 2.040 -1.003 1.00 85.81 7 A 1 ATOM 55 N N . ALA A 1 8 ? -2.432 2.814 -1.529 1.00 93.81 8 A 1 ATOM 56 C CA . ALA A 1 8 ? -1.515 2.223 -2.494 1.00 94.56 8 A 1 ATOM 57 C C . ALA A 1 8 ? -0.380 1.493 -1.784 1.00 95.83 8 A 1 ATOM 58 O O . ALA A 1 8 ? 0.015 0.399 -2.185 1.00 94.25 8 A 1 ATOM 59 C CB . ALA A 1 8 ? -0.952 3.310 -3.402 1.00 93.21 8 A 1 ATOM 60 N N . VAL A 1 9 ? 0.134 2.092 -0.735 1.00 93.02 9 A 1 ATOM 61 C CA . VAL A 1 9 ? 1.216 1.496 0.043 1.00 94.24 9 A 1 ATOM 62 C C . VAL A 1 9 ? 0.745 0.212 0.717 1.00 95.27 9 A 1 ATOM 63 O O . VAL A 1 9 ? 1.469 -0.784 0.765 1.00 94.65 9 A 1 ATOM 64 C CB . VAL A 1 9 ? 1.734 2.479 1.104 1.00 93.48 9 A 1 ATOM 65 C CG1 . VAL A 1 9 ? 2.786 1.817 1.978 1.00 90.38 9 A 1 ATOM 66 C CG2 . VAL A 1 9 ? 2.306 3.718 0.435 1.00 90.37 9 A 1 ATOM 67 N N . PHE A 1 10 ? -0.455 0.248 1.226 1.00 91.62 10 A 1 ATOM 68 C CA . PHE A 1 10 ? -1.031 -0.911 1.897 1.00 91.18 10 A 1 ATOM 69 C C . PHE A 1 10 ? -1.124 -2.096 0.947 1.00 92.74 10 A 1 ATOM 70 O O . PHE A 1 10 ? -0.735 -3.216 1.283 1.00 91.56 10 A 1 ATOM 71 C CB . PHE A 1 10 ? -2.421 -0.558 2.421 1.00 90.44 10 A 1 ATOM 72 C CG . PHE A 1 10 ? -3.055 -1.693 3.184 1.00 90.22 10 A 1 ATOM 73 C CD1 . PHE A 1 10 ? -2.691 -1.940 4.496 1.00 87.82 10 A 1 ATOM 74 C CD2 . PHE A 1 10 ? -4.007 -2.502 2.589 1.00 88.10 10 A 1 ATOM 75 C CE1 . PHE A 1 10 ? -3.262 -2.984 5.209 1.00 86.54 10 A 1 ATOM 76 C CE2 . PHE A 1 10 ? -4.582 -3.554 3.292 1.00 85.62 10 A 1 ATOM 77 C CZ . PHE A 1 10 ? -4.208 -3.795 4.603 1.00 85.63 10 A 1 ATOM 78 N N . ALA A 1 11 ? -1.641 -1.846 -0.237 1.00 95.04 11 A 1 ATOM 79 C CA . ALA A 1 11 ? -1.780 -2.892 -1.245 1.00 94.70 11 A 1 ATOM 80 C C . ALA A 1 11 ? -0.418 -3.378 -1.719 1.00 95.31 11 A 1 ATOM 81 O O . ALA A 1 11 ? -0.216 -4.572 -1.943 1.00 93.86 11 A 1 ATOM 82 C CB . ALA A 1 11 ? -2.583 -2.365 -2.427 1.00 93.64 11 A 1 ATOM 83 N N . ALA A 1 12 ? 0.508 -2.459 -1.873 1.00 94.80 12 A 1 ATOM 84 C CA . ALA A 1 12 ? 1.852 -2.791 -2.326 1.00 93.99 12 A 1 ATOM 85 C C . ALA A 1 12 ? 2.555 -3.698 -1.325 1.00 94.60 12 A 1 ATOM 86 O O . ALA A 1 12 ? 3.209 -4.668 -1.705 1.00 92.63 12 A 1 ATOM 87 C CB . ALA A 1 12 ? 2.658 -1.515 -2.528 1.00 93.18 12 A 1 ATOM 88 N N . ALA A 1 13 ? 2.423 -3.385 -0.054 1.00 95.33 13 A 1 ATOM 89 C CA . ALA A 1 13 ? 3.048 -4.171 1.003 1.00 95.10 13 A 1 ATOM 90 C C . ALA A 1 13 ? 2.471 -5.581 1.049 1.00 95.40 13 A 1 ATOM 91 O O . ALA A 1 13 ? 3.209 -6.560 1.172 1.00 93.69 13 A 1 ATOM 92 C CB . ALA A 1 13 ? 2.851 -3.481 2.346 1.00 94.34 13 A 1 ATOM 93 N N . LEU A 1 14 ? 1.179 -5.678 0.948 1.00 95.43 14 A 1 ATOM 94 C CA . LEU A 1 14 ? 0.501 -6.971 0.977 1.00 94.85 14 A 1 ATOM 95 C C . LEU A 1 14 ? 0.884 -7.813 -0.228 1.00 94.96 14 A 1 ATOM 96 O O . LEU A 1 14 ? 1.139 -9.013 -0.113 1.00 93.31 14 A 1 ATOM 97 C CB . LEU A 1 14 ? -1.011 -6.761 1.028 1.00 93.59 14 A 1 ATOM 98 C CG . LEU A 1 14 ? -1.805 -8.052 1.211 1.00 88.97 14 A 1 ATOM 99 C CD1 . LEU A 1 14 ? -2.930 -7.838 2.204 1.00 86.60 14 A 1 ATOM 100 C CD2 . LEU A 1 14 ? -2.369 -8.526 -0.115 1.00 85.60 14 A 1 ATOM 101 N N . SER A 1 15 ? 0.927 -7.197 -1.388 1.00 94.47 15 A 1 ATOM 102 C CA . SER A 1 15 ? 1.294 -7.891 -2.620 1.00 93.70 15 A 1 ATOM 103 C C . SER A 1 15 ? 2.748 -8.345 -2.574 1.00 93.94 15 A 1 ATOM 104 O O . SER A 1 15 ? 3.092 -9.422 -3.058 1.00 91.53 15 A 1 ATOM 105 C CB . SER A 1 15 ? 1.081 -6.976 -3.822 1.00 91.93 15 A 1 ATOM 106 O OG . SER A 1 15 ? 1.456 -7.633 -5.016 1.00 80.82 15 A 1 ATOM 107 N N . SER A 1 16 ? 3.593 -7.532 -1.984 1.00 94.19 16 A 1 ATOM 108 C CA . SER A 1 16 ? 5.016 -7.834 -1.886 1.00 94.09 16 A 1 ATOM 109 C C . SER A 1 16 ? 5.269 -9.031 -0.976 1.00 94.74 16 A 1 ATOM 110 O O . SER A 1 16 ? 6.037 -9.930 -1.316 1.00 92.18 16 A 1 ATOM 111 C CB . SER A 1 16 ? 5.781 -6.622 -1.357 1.00 92.28 16 A 1 ATOM 112 O OG . SER A 1 16 ? 7.159 -6.911 -1.257 1.00 81.76 16 A 1 ATOM 113 N N . VAL A 1 17 ? 4.628 -9.043 0.174 1.00 95.42 17 A 1 ATOM 114 C CA . VAL A 1 17 ? 4.816 -10.123 1.141 1.00 95.44 17 A 1 ATOM 115 C C . VAL A 1 17 ? 4.260 -11.444 0.623 1.00 95.89 17 A 1 ATOM 116 O O . VAL A 1 17 ? 4.842 -12.505 0.857 1.00 93.98 17 A 1 ATOM 117 C CB . VAL A 1 17 ? 4.153 -9.778 2.489 1.00 93.55 17 A 1 ATOM 118 C CG1 . VAL A 1 17 ? 2.640 -9.675 2.337 1.00 87.85 17 A 1 ATOM 119 C CG2 . VAL A 1 17 ? 4.506 -10.828 3.521 1.00 88.36 17 A 1 ATOM 120 N N . THR A 1 18 ? 3.148 -11.390 -0.069 1.00 93.50 18 A 1 ATOM 121 C CA . THR A 1 18 ? 2.525 -12.602 -0.598 1.00 93.26 18 A 1 ATOM 122 C C . THR A 1 18 ? 3.241 -13.104 -1.844 1.00 93.34 18 A 1 ATOM 123 O O . THR A 1 18 ? 3.261 -14.303 -2.125 1.00 91.78 18 A 1 ATOM 124 C CB . THR A 1 18 ? 1.045 -12.356 -0.929 1.00 90.61 18 A 1 ATOM 125 O OG1 . THR A 1 18 ? 0.429 -13.600 -1.280 1.00 84.18 18 A 1 ATOM 126 C CG2 . THR A 1 18 ? 0.899 -11.394 -2.094 1.00 81.75 18 A 1 ATOM 127 N N . GLU A 1 19 ? 3.824 -12.184 -2.582 1.00 89.59 19 A 1 ATOM 128 C CA . GLU A 1 19 ? 4.528 -12.536 -3.808 1.00 89.14 19 A 1 ATOM 129 C C . GLU A 1 19 ? 5.925 -13.060 -3.507 1.00 89.77 19 A 1 ATOM 130 O O . GLU A 1 19 ? 6.430 -13.942 -4.203 1.00 85.52 19 A 1 ATOM 131 C CB . GLU A 1 19 ? 4.633 -11.313 -4.721 1.00 85.25 19 A 1 ATOM 132 C CG . GLU A 1 19 ? 5.273 -11.640 -6.056 1.00 76.59 19 A 1 ATOM 133 C CD . GLU A 1 19 ? 5.353 -10.430 -6.962 1.00 72.48 19 A 1 ATOM 134 O OE1 . GLU A 1 19 ? 4.297 -9.878 -7.301 1.00 63.76 19 A 1 ATOM 135 O OE2 . GLU A 1 19 ? 6.471 -10.031 -7.320 1.00 65.95 19 A 1 ATOM 136 N N . ALA A 1 20 ? 6.557 -12.540 -2.484 1.00 85.21 20 A 1 ATOM 137 C CA . ALA A 1 20 ? 7.909 -12.935 -2.099 1.00 83.72 20 A 1 ATOM 138 C C . ALA A 1 20 ? 8.001 -14.453 -1.913 1.00 80.77 20 A 1 ATOM 139 O O . ALA A 1 20 ? 8.802 -15.089 -2.615 1.00 76.92 20 A 1 ATOM 140 C CB . ALA A 1 20 ? 8.319 -12.209 -0.821 1.00 77.77 20 A 1 ATOM 141 O OXT . ALA A 1 20 ? 7.294 -14.992 -1.075 1.00 71.48 20 A 1 #