# 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_spkb36164 # _entry.id spkb36164 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](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" "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 SER 2 1 n PRO 3 1 n SER 4 1 n SER 5 1 n VAL 6 1 n ALA 7 1 n LEU 8 1 n LEU 9 1 n ALA 10 1 n ALA 11 1 n VAL 12 1 n VAL 13 1 n ILE 14 1 n VAL 15 1 n VAL 16 1 n MET 17 1 n GLY 18 1 n GLY 19 1 n ALA 20 1 n ALA 21 1 n GLU 22 1 n ALA 23 # _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 05:58:36)" _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 94.00 _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 84.62 1 1 A SER 2 2 92.36 1 2 A PRO 3 2 96.09 1 3 A SER 4 2 95.75 1 4 A SER 5 2 96.14 1 5 A VAL 6 2 96.58 1 6 A ALA 7 2 97.91 1 7 A LEU 8 2 96.31 1 8 A LEU 9 2 95.23 1 9 A ALA 10 2 97.47 1 10 A ALA 11 2 97.58 1 11 A VAL 12 2 97.28 1 12 A VAL 13 2 97.05 1 13 A ILE 14 2 95.96 1 14 A VAL 15 2 96.90 1 15 A VAL 16 2 97.11 1 16 A MET 17 2 92.47 1 17 A GLY 18 2 96.38 1 18 A GLY 19 2 95.36 1 19 A ALA 20 2 94.15 1 20 A ALA 21 2 93.45 1 21 A GLU 22 2 82.72 1 22 A ALA 23 2 84.72 1 23 # _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 SER . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n MET . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -14.818 -4.564 5.902 1.00 88.34 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.937 -3.422 5.589 1.00 91.63 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.612 -2.548 4.546 1.00 93.32 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.259 -3.075 3.644 1.00 89.80 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.579 -3.896 5.053 1.00 85.82 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.705 -4.512 6.146 1.00 81.37 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.140 -5.158 5.496 1.00 77.82 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.294 -5.541 7.038 1.00 68.84 1 A 1 ATOM 9 N N . SER A 1 2 ? -14.480 -1.239 4.657 1.00 92.55 2 A 1 ATOM 10 C CA . SER A 1 2 ? -14.996 -0.342 3.624 1.00 95.02 2 A 1 ATOM 11 C C . SER A 1 2 ? -14.119 -0.447 2.366 1.00 96.36 2 A 1 ATOM 12 O O . SER A 1 2 ? -12.919 -0.715 2.475 1.00 95.42 2 A 1 ATOM 13 C CB . SER A 1 2 ? -15.060 1.095 4.135 1.00 92.38 2 A 1 ATOM 14 O OG . SER A 1 2 ? -13.791 1.584 4.474 1.00 82.40 2 A 1 ATOM 15 N N . PRO A 1 3 ? -14.692 -0.231 1.154 1.00 96.68 3 A 1 ATOM 16 C CA . PRO A 1 3 ? -13.901 -0.266 -0.085 1.00 97.44 3 A 1 ATOM 17 C C . PRO A 1 3 ? -12.685 0.658 -0.037 1.00 97.92 3 A 1 ATOM 18 O O . PRO A 1 3 ? -11.613 0.303 -0.533 1.00 97.05 3 A 1 ATOM 19 C CB . PRO A 1 3 ? -14.896 0.168 -1.172 1.00 95.89 3 A 1 ATOM 20 C CG . PRO A 1 3 ? -16.244 -0.218 -0.606 1.00 92.90 3 A 1 ATOM 21 C CD . PRO A 1 3 ? -16.104 -0.027 0.894 1.00 94.78 3 A 1 ATOM 22 N N . SER A 1 4 ? -12.813 1.829 0.604 1.00 97.18 4 A 1 ATOM 23 C CA . SER A 1 4 ? -11.721 2.786 0.776 1.00 97.57 4 A 1 ATOM 24 C C . SER A 1 4 ? -10.578 2.209 1.618 1.00 97.94 4 A 1 ATOM 25 O O . SER A 1 4 ? -9.409 2.413 1.296 1.00 97.11 4 A 1 ATOM 26 C CB . SER A 1 4 ? -12.245 4.065 1.424 1.00 96.41 4 A 1 ATOM 27 O OG . SER A 1 4 ? -13.377 4.553 0.722 1.00 88.26 4 A 1 ATOM 28 N N . SER A 1 5 ? -10.893 1.461 2.682 1.00 97.44 5 A 1 ATOM 29 C CA . SER A 1 5 ? -9.887 0.825 3.535 1.00 97.74 5 A 1 ATOM 30 C C . SER A 1 5 ? -9.102 -0.246 2.777 1.00 98.15 5 A 1 ATOM 31 O O . SER A 1 5 ? -7.886 -0.352 2.931 1.00 97.65 5 A 1 ATOM 32 C CB . SER A 1 5 ? -10.543 0.203 4.770 1.00 96.74 5 A 1 ATOM 33 O OG . SER A 1 5 ? -11.237 1.181 5.523 1.00 89.13 5 A 1 ATOM 34 N N . VAL A 1 6 ? -9.786 -1.031 1.931 1.00 97.51 6 A 1 ATOM 35 C CA . VAL A 1 6 ? -9.140 -2.056 1.103 1.00 97.81 6 A 1 ATOM 36 C C . VAL A 1 6 ? -8.211 -1.409 0.073 1.00 98.09 6 A 1 ATOM 37 O O . VAL A 1 6 ? -7.078 -1.861 -0.109 1.00 97.76 6 A 1 ATOM 38 C CB . VAL A 1 6 ? -10.195 -2.947 0.417 1.00 97.07 6 A 1 ATOM 39 C CG1 . VAL A 1 6 ? -9.545 -3.965 -0.515 1.00 93.79 6 A 1 ATOM 40 C CG2 . VAL A 1 6 ? -11.024 -3.693 1.462 1.00 94.00 6 A 1 ATOM 41 N N . ALA A 1 7 ? -8.666 -0.332 -0.576 1.00 97.96 7 A 1 ATOM 42 C CA . ALA A 1 7 ? -7.862 0.393 -1.560 1.00 98.05 7 A 1 ATOM 43 C C . ALA A 1 7 ? -6.602 1.000 -0.928 1.00 98.18 7 A 1 ATOM 44 O O . ALA A 1 7 ? -5.510 0.892 -1.488 1.00 97.71 7 A 1 ATOM 45 C CB . ALA A 1 7 ? -8.724 1.472 -2.216 1.00 97.66 7 A 1 ATOM 46 N N . LEU A 1 8 ? -6.732 1.598 0.265 1.00 97.89 8 A 1 ATOM 47 C CA . LEU A 1 8 ? -5.594 2.163 0.991 1.00 97.89 8 A 1 ATOM 48 C C . LEU A 1 8 ? -4.602 1.077 1.402 1.00 98.05 8 A 1 ATOM 49 O O . LEU A 1 8 ? -3.396 1.251 1.240 1.00 97.64 8 A 1 ATOM 50 C CB . LEU A 1 8 ? -6.088 2.934 2.222 1.00 97.61 8 A 1 ATOM 51 C CG . LEU A 1 8 ? -6.758 4.278 1.903 1.00 94.36 8 A 1 ATOM 52 C CD1 . LEU A 1 8 ? -7.406 4.844 3.162 1.00 93.76 8 A 1 ATOM 53 C CD2 . LEU A 1 8 ? -5.752 5.294 1.364 1.00 93.32 8 A 1 ATOM 54 N N . LEU A 1 9 ? -5.103 -0.054 1.902 1.00 97.56 9 A 1 ATOM 55 C CA . LEU A 1 9 ? -4.240 -1.170 2.295 1.00 97.36 9 A 1 ATOM 56 C C . LEU A 1 9 ? -3.467 -1.716 1.092 1.00 97.63 9 A 1 ATOM 57 O O . LEU A 1 9 ? -2.258 -1.944 1.183 1.00 97.43 9 A 1 ATOM 58 C CB . LEU A 1 9 ? -5.094 -2.265 2.951 1.00 96.79 9 A 1 ATOM 59 C CG . LEU A 1 9 ? -4.289 -3.461 3.474 1.00 91.38 9 A 1 ATOM 60 C CD1 . LEU A 1 9 ? -3.321 -3.057 4.580 1.00 92.02 9 A 1 ATOM 61 C CD2 . LEU A 1 9 ? -5.242 -4.529 4.004 1.00 91.69 9 A 1 ATOM 62 N N . ALA A 1 10 ? -4.147 -1.897 -0.046 1.00 97.65 10 A 1 ATOM 63 C CA . ALA A 1 10 ? -3.504 -2.358 -1.273 1.00 97.63 10 A 1 ATOM 64 C C . ALA A 1 10 ? -2.428 -1.371 -1.745 1.00 97.79 10 A 1 ATOM 65 O O . ALA A 1 10 ? -1.326 -1.783 -2.112 1.00 97.20 10 A 1 ATOM 66 C CB . ALA A 1 10 ? -4.572 -2.572 -2.351 1.00 97.10 10 A 1 ATOM 67 N N . ALA A 1 11 ? -2.715 -0.063 -1.694 1.00 97.75 11 A 1 ATOM 68 C CA . ALA A 1 11 ? -1.752 0.969 -2.067 1.00 97.82 11 A 1 ATOM 69 C C . ALA A 1 11 ? -0.513 0.939 -1.163 1.00 97.95 11 A 1 ATOM 70 O O . ALA A 1 11 ? 0.611 1.009 -1.656 1.00 97.00 11 A 1 ATOM 71 C CB . ALA A 1 11 ? -2.431 2.340 -2.025 1.00 97.40 11 A 1 ATOM 72 N N . VAL A 1 12 ? -0.703 0.792 0.154 1.00 97.73 12 A 1 ATOM 73 C CA . VAL A 1 12 ? 0.410 0.699 1.109 1.00 97.76 12 A 1 ATOM 74 C C . VAL A 1 12 ? 1.280 -0.524 0.808 1.00 97.87 12 A 1 ATOM 75 O O . VAL A 1 12 ? 2.505 -0.409 0.766 1.00 97.39 12 A 1 ATOM 76 C CB . VAL A 1 12 ? -0.111 0.673 2.560 1.00 97.42 12 A 1 ATOM 77 C CG1 . VAL A 1 12 ? 0.993 0.324 3.562 1.00 96.39 12 A 1 ATOM 78 C CG2 . VAL A 1 12 ? -0.692 2.036 2.941 1.00 96.37 12 A 1 ATOM 79 N N . VAL A 1 13 ? 0.665 -1.677 0.560 1.00 97.68 13 A 1 ATOM 80 C CA . VAL A 1 13 ? 1.412 -2.901 0.235 1.00 97.62 13 A 1 ATOM 81 C C . VAL A 1 13 ? 2.247 -2.712 -1.035 1.00 97.67 13 A 1 ATOM 82 O O . VAL A 1 13 ? 3.426 -3.078 -1.060 1.00 97.20 13 A 1 ATOM 83 C CB . VAL A 1 13 ? 0.457 -4.103 0.105 1.00 97.13 13 A 1 ATOM 84 C CG1 . VAL A 1 13 ? 1.164 -5.341 -0.447 1.00 95.98 13 A 1 ATOM 85 C CG2 . VAL A 1 13 ? -0.136 -4.459 1.470 1.00 96.04 13 A 1 ATOM 86 N N . ILE A 1 14 ? 1.672 -2.110 -2.081 1.00 97.53 14 A 1 ATOM 87 C CA . ILE A 1 14 ? 2.383 -1.849 -3.335 1.00 97.35 14 A 1 ATOM 88 C C . ILE A 1 14 ? 3.563 -0.899 -3.105 1.00 97.47 14 A 1 ATOM 89 O O . ILE A 1 14 ? 4.667 -1.154 -3.592 1.00 96.76 14 A 1 ATOM 90 C CB . ILE A 1 14 ? 1.410 -1.301 -4.397 1.00 96.80 14 A 1 ATOM 91 C CG1 . ILE A 1 14 ? 0.403 -2.394 -4.818 1.00 95.43 14 A 1 ATOM 92 C CG2 . ILE A 1 14 ? 2.170 -0.791 -5.637 1.00 94.92 14 A 1 ATOM 93 C CD1 . ILE A 1 14 ? -0.805 -1.854 -5.572 1.00 91.38 14 A 1 ATOM 94 N N . VAL A 1 15 ? 3.359 0.184 -2.344 1.00 97.74 15 A 1 ATOM 95 C CA . VAL A 1 15 ? 4.422 1.153 -2.046 1.00 97.53 15 A 1 ATOM 96 C C . VAL A 1 15 ? 5.547 0.503 -1.238 1.00 97.58 15 A 1 ATOM 97 O O . VAL A 1 15 ? 6.724 0.706 -1.545 1.00 96.89 15 A 1 ATOM 98 C CB . VAL A 1 15 ? 3.850 2.384 -1.315 1.00 97.00 15 A 1 ATOM 99 C CG1 . VAL A 1 15 ? 4.950 3.306 -0.786 1.00 95.80 15 A 1 ATOM 100 C CG2 . VAL A 1 15 ? 2.960 3.196 -2.259 1.00 95.76 15 A 1 ATOM 101 N N . VAL A 1 16 ? 5.207 -0.296 -0.227 1.00 98.00 16 A 1 ATOM 102 C CA . VAL A 1 16 ? 6.210 -0.983 0.599 1.00 97.88 16 A 1 ATOM 103 C C . VAL A 1 16 ? 7.005 -1.990 -0.234 1.00 97.80 16 A 1 ATOM 104 O O . VAL A 1 16 ? 8.237 -2.014 -0.164 1.00 97.11 16 A 1 ATOM 105 C CB . VAL A 1 16 ? 5.543 -1.654 1.817 1.00 97.41 16 A 1 ATOM 106 C CG1 . VAL A 1 16 ? 6.514 -2.563 2.571 1.00 95.57 16 A 1 ATOM 107 C CG2 . VAL A 1 16 ? 5.028 -0.594 2.791 1.00 95.99 16 A 1 ATOM 108 N N . MET A 1 17 ? 6.329 -2.803 -1.044 1.00 97.43 17 A 1 ATOM 109 C CA . MET A 1 17 ? 7.002 -3.779 -1.906 1.00 97.21 17 A 1 ATOM 110 C C . MET A 1 17 ? 7.854 -3.099 -2.982 1.00 97.07 17 A 1 ATOM 111 O O . MET A 1 17 ? 8.986 -3.515 -3.227 1.00 95.84 17 A 1 ATOM 112 C CB . MET A 1 17 ? 5.975 -4.721 -2.549 1.00 96.55 17 A 1 ATOM 113 C CG . MET A 1 17 ? 5.415 -5.727 -1.546 1.00 91.78 17 A 1 ATOM 114 S SD . MET A 1 17 ? 4.379 -6.985 -2.329 1.00 86.89 17 A 1 ATOM 115 C CE . MET A 1 17 ? 4.152 -8.104 -0.936 1.00 76.97 17 A 1 ATOM 116 N N . GLY A 1 18 ? 7.340 -2.031 -3.594 1.00 96.57 18 A 1 ATOM 117 C CA . GLY A 1 18 ? 8.085 -1.263 -4.593 1.00 96.57 18 A 1 ATOM 118 C C . GLY A 1 18 ? 9.294 -0.559 -3.993 1.00 96.91 18 A 1 ATOM 119 O O . GLY A 1 18 ? 10.388 -0.606 -4.561 1.00 95.47 18 A 1 ATOM 120 N N . GLY A 1 19 ? 9.131 0.054 -2.818 1.00 95.61 19 A 1 ATOM 121 C CA . GLY A 1 19 ? 10.227 0.706 -2.104 1.00 95.40 19 A 1 ATOM 122 C C . GLY A 1 19 ? 11.304 -0.276 -1.667 1.00 95.97 19 A 1 ATOM 123 O O . GLY A 1 19 ? 12.494 0.024 -1.751 1.00 94.44 19 A 1 ATOM 124 N N . ALA A 1 20 ? 10.911 -1.475 -1.237 1.00 94.76 20 A 1 ATOM 125 C CA . ALA A 1 20 ? 11.857 -2.528 -0.869 1.00 94.80 20 A 1 ATOM 126 C C . ALA A 1 20 ? 12.661 -3.025 -2.074 1.00 94.87 20 A 1 ATOM 127 O O . ALA A 1 20 ? 13.812 -3.436 -1.917 1.00 92.90 20 A 1 ATOM 128 C CB . ALA A 1 20 ? 11.103 -3.681 -0.204 1.00 93.43 20 A 1 ATOM 129 N N . ALA A 1 21 ? 12.086 -2.984 -3.277 1.00 94.07 21 A 1 ATOM 130 C CA . ALA A 1 21 ? 12.783 -3.365 -4.506 1.00 94.00 21 A 1 ATOM 131 C C . ALA A 1 21 ? 13.803 -2.312 -4.956 1.00 94.36 21 A 1 ATOM 132 O O . ALA A 1 21 ? 14.754 -2.644 -5.666 1.00 92.42 21 A 1 ATOM 133 C CB . ALA A 1 21 ? 11.753 -3.634 -5.607 1.00 92.38 21 A 1 ATOM 134 N N . GLU A 1 22 ? 13.619 -1.046 -4.547 1.00 91.34 22 A 1 ATOM 135 C CA . GLU A 1 22 ? 14.563 0.043 -4.848 1.00 92.00 22 A 1 ATOM 136 C C . GLU A 1 22 ? 15.689 0.152 -3.813 1.00 91.60 22 A 1 ATOM 137 O O . GLU A 1 22 ? 16.662 0.870 -4.048 1.00 88.10 22 A 1 ATOM 138 C CB . GLU A 1 22 ? 13.812 1.375 -4.948 1.00 87.64 22 A 1 ATOM 139 C CG . GLU A 1 22 ? 13.054 1.527 -6.260 1.00 78.97 22 A 1 ATOM 140 C CD . GLU A 1 22 ? 12.405 2.899 -6.382 1.00 75.29 22 A 1 ATOM 141 O OE1 . GLU A 1 22 ? 13.131 3.892 -6.575 1.00 68.17 22 A 1 ATOM 142 O OE2 . GLU A 1 22 ? 11.173 2.976 -6.271 1.00 71.34 22 A 1 ATOM 143 N N . ALA A 1 23 ? 15.591 -0.541 -2.680 1.00 89.71 23 A 1 ATOM 144 C CA . ALA A 1 23 ? 16.586 -0.497 -1.615 1.00 89.18 23 A 1 ATOM 145 C C . ALA A 1 23 ? 17.735 -1.483 -1.853 1.00 86.40 23 A 1 ATOM 146 O O . ALA A 1 23 ? 17.517 -2.548 -2.453 1.00 81.51 23 A 1 ATOM 147 C CB . ALA A 1 23 ? 15.904 -0.745 -0.265 1.00 84.23 23 A 1 ATOM 148 O OXT . ALA A 1 23 ? 18.870 -1.192 -1.413 1.00 77.29 23 A 1 #