# 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_spkb19462 # _entry.id spkb19462 # 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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 GLY 2 1 n LEU 3 1 n SER 4 1 n PRO 5 1 n ALA 6 1 n ALA 7 1 n VAL 8 1 n LEU 9 1 n ILE 10 1 n PHE 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n GLY 15 1 n VAL 16 1 n SER 17 1 n GLN 18 1 n THR 19 1 n TYR 20 1 n ALA 21 # _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 @ 2025-07-06 09:21:47)" _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 92.97 _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 76.73 1 1 A GLY 2 2 90.65 1 2 A LEU 3 2 88.19 1 3 A SER 4 2 93.91 1 4 A PRO 5 2 96.82 1 5 A ALA 6 2 97.68 1 6 A ALA 7 2 97.55 1 7 A VAL 8 2 96.55 1 8 A LEU 9 2 95.28 1 9 A ILE 10 2 95.90 1 10 A PHE 11 2 93.16 1 11 A LEU 12 2 95.53 1 12 A LEU 13 2 95.88 1 13 A LEU 14 2 95.81 1 14 A GLY 15 2 96.94 1 15 A VAL 16 2 95.99 1 16 A SER 17 2 95.47 1 17 A GLN 18 2 92.39 1 18 A THR 19 2 92.73 1 19 A TYR 20 2 89.37 1 20 A ALA 21 2 86.49 1 21 # _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 GLY . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? 3.924 -0.913 18.909 1.00 83.32 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.522 0.369 18.527 1.00 84.36 1 A 1 ATOM 3 C C . MET A 1 1 ? 5.009 0.343 17.078 1.00 85.00 1 A 1 ATOM 4 O O . MET A 1 1 ? 6.026 0.938 16.738 1.00 79.70 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.688 0.694 19.463 1.00 77.75 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.276 0.706 20.925 1.00 74.03 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.932 1.844 21.225 1.00 69.86 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.649 1.571 22.955 1.00 59.82 1 A 1 ATOM 9 N N . GLY A 1 2 ? 4.272 -0.350 16.254 1.00 88.27 2 A 1 ATOM 10 C CA . GLY A 1 2 ? 4.620 -0.440 14.851 1.00 91.12 2 A 1 ATOM 11 C C . GLY A 1 2 ? 3.425 -0.184 13.960 1.00 92.68 2 A 1 ATOM 12 O O . GLY A 1 2 ? 2.372 0.257 14.422 1.00 90.54 2 A 1 ATOM 13 N N . LEU A 1 3 ? 3.588 -0.461 12.664 1.00 91.43 3 A 1 ATOM 14 C CA . LEU A 1 3 ? 2.518 -0.265 11.699 1.00 92.68 3 A 1 ATOM 15 C C . LEU A 1 3 ? 1.581 -1.460 11.692 1.00 94.49 3 A 1 ATOM 16 O O . LEU A 1 3 ? 2.028 -2.605 11.686 1.00 92.56 3 A 1 ATOM 17 C CB . LEU A 1 3 ? 3.101 -0.060 10.306 1.00 89.60 3 A 1 ATOM 18 C CG . LEU A 1 3 ? 3.930 1.212 10.147 1.00 84.61 3 A 1 ATOM 19 C CD1 . LEU A 1 3 ? 4.693 1.191 8.833 1.00 81.93 3 A 1 ATOM 20 C CD2 . LEU A 1 3 ? 3.030 2.436 10.218 1.00 78.24 3 A 1 ATOM 21 N N . SER A 1 4 ? 0.294 -1.182 11.681 1.00 95.04 4 A 1 ATOM 22 C CA . SER A 1 4 ? -0.700 -2.242 11.650 1.00 96.00 4 A 1 ATOM 23 C C . SER A 1 4 ? -0.689 -2.930 10.288 1.00 97.11 4 A 1 ATOM 24 O O . SER A 1 4 ? -0.652 -2.255 9.255 1.00 96.63 4 A 1 ATOM 25 C CB . SER A 1 4 ? -2.090 -1.678 11.932 1.00 93.81 4 A 1 ATOM 26 O OG . SER A 1 4 ? -2.163 -1.139 13.237 1.00 84.87 4 A 1 ATOM 27 N N . PRO A 1 5 ? -0.717 -4.271 10.270 1.00 97.15 5 A 1 ATOM 28 C CA . PRO A 1 5 ? -0.725 -5.028 9.013 1.00 97.65 5 A 1 ATOM 29 C C . PRO A 1 5 ? -1.843 -4.575 8.084 1.00 98.09 5 A 1 ATOM 30 O O . PRO A 1 5 ? -1.666 -4.507 6.865 1.00 97.69 5 A 1 ATOM 31 C CB . PRO A 1 5 ? -0.948 -6.478 9.467 1.00 96.50 5 A 1 ATOM 32 C CG . PRO A 1 5 ? -0.444 -6.511 10.871 1.00 94.64 5 A 1 ATOM 33 C CD . PRO A 1 5 ? -0.716 -5.144 11.444 1.00 96.00 5 A 1 ATOM 34 N N . ALA A 1 6 ? -2.992 -4.257 8.666 1.00 97.55 6 A 1 ATOM 35 C CA . ALA A 1 6 ? -4.136 -3.788 7.896 1.00 97.84 6 A 1 ATOM 36 C C . ALA A 1 6 ? -3.833 -2.463 7.211 1.00 98.13 6 A 1 ATOM 37 O O . ALA A 1 6 ? -4.173 -2.260 6.046 1.00 97.63 6 A 1 ATOM 38 C CB . ALA A 1 6 ? -5.351 -3.642 8.806 1.00 97.24 6 A 1 ATOM 39 N N . ALA A 1 7 ? -3.180 -1.558 7.935 1.00 97.70 7 A 1 ATOM 40 C CA . ALA A 1 7 ? -2.819 -0.252 7.394 1.00 97.75 7 A 1 ATOM 41 C C . ALA A 1 7 ? -1.871 -0.399 6.211 1.00 97.90 7 A 1 ATOM 42 O O . ALA A 1 7 ? -2.013 0.283 5.195 1.00 97.28 7 A 1 ATOM 43 C CB . ALA A 1 7 ? -2.176 0.610 8.476 1.00 97.14 7 A 1 ATOM 44 N N . VAL A 1 8 ? -0.907 -1.297 6.349 1.00 97.80 8 A 1 ATOM 45 C CA . VAL A 1 8 ? 0.054 -1.558 5.280 1.00 97.57 8 A 1 ATOM 46 C C . VAL A 1 8 ? -0.657 -2.095 4.044 1.00 97.53 8 A 1 ATOM 47 O O . VAL A 1 8 ? -0.347 -1.715 2.914 1.00 96.84 8 A 1 ATOM 48 C CB . VAL A 1 8 ? 1.130 -2.554 5.736 1.00 96.94 8 A 1 ATOM 49 C CG1 . VAL A 1 8 ? 2.089 -2.870 4.594 1.00 94.64 8 A 1 ATOM 50 C CG2 . VAL A 1 8 ? 1.888 -2.001 6.933 1.00 94.50 8 A 1 ATOM 51 N N . LEU A 1 9 ? -1.602 -2.979 4.271 1.00 97.33 9 A 1 ATOM 52 C CA . LEU A 1 9 ? -2.370 -3.567 3.178 1.00 97.06 9 A 1 ATOM 53 C C . LEU A 1 9 ? -3.161 -2.498 2.431 1.00 97.21 9 A 1 ATOM 54 O O . LEU A 1 9 ? -3.206 -2.492 1.199 1.00 97.20 9 A 1 ATOM 55 C CB . LEU A 1 9 ? -3.325 -4.632 3.720 1.00 96.84 9 A 1 ATOM 56 C CG . LEU A 1 9 ? -4.118 -5.379 2.652 1.00 93.18 9 A 1 ATOM 57 C CD1 . LEU A 1 9 ? -3.182 -6.179 1.757 1.00 91.68 9 A 1 ATOM 58 C CD2 . LEU A 1 9 ? -5.149 -6.286 3.294 1.00 91.77 9 A 1 ATOM 59 N N . ILE A 1 10 ? -3.777 -1.604 3.184 1.00 97.16 10 A 1 ATOM 60 C CA . ILE A 1 10 ? -4.552 -0.512 2.597 1.00 96.79 10 A 1 ATOM 61 C C . ILE A 1 10 ? -3.655 0.380 1.748 1.00 97.12 10 A 1 ATOM 62 O O . ILE A 1 10 ? -4.013 0.776 0.634 1.00 96.74 10 A 1 ATOM 63 C CB . ILE A 1 10 ? -5.233 0.321 3.696 1.00 96.55 10 A 1 ATOM 64 C CG1 . ILE A 1 10 ? -6.249 -0.529 4.471 1.00 95.55 10 A 1 ATOM 65 C CG2 . ILE A 1 10 ? -5.925 1.538 3.083 1.00 95.12 10 A 1 ATOM 66 C CD1 . ILE A 1 10 ? -7.380 -1.046 3.607 1.00 92.20 10 A 1 ATOM 67 N N . PHE A 1 11 ? -2.491 0.690 2.282 1.00 96.29 11 A 1 ATOM 68 C CA . PHE A 1 11 ? -1.523 1.518 1.571 1.00 95.82 11 A 1 ATOM 69 C C . PHE A 1 11 ? -1.114 0.865 0.257 1.00 96.50 11 A 1 ATOM 70 O O . PHE A 1 11 ? -1.035 1.523 -0.784 1.00 96.14 11 A 1 ATOM 71 C CB . PHE A 1 11 ? -0.296 1.747 2.450 1.00 95.29 11 A 1 ATOM 72 C CG . PHE A 1 11 ? 0.821 2.448 1.727 1.00 92.92 11 A 1 ATOM 73 C CD1 . PHE A 1 11 ? 0.698 3.779 1.367 1.00 90.76 11 A 1 ATOM 74 C CD2 . PHE A 1 11 ? 1.989 1.774 1.416 1.00 90.98 11 A 1 ATOM 75 C CE1 . PHE A 1 11 ? 1.722 4.430 0.699 1.00 90.08 11 A 1 ATOM 76 C CE2 . PHE A 1 11 ? 3.017 2.419 0.743 1.00 89.57 11 A 1 ATOM 77 C CZ . PHE A 1 11 ? 2.885 3.749 0.382 1.00 90.37 11 A 1 ATOM 78 N N . LEU A 1 12 ? -0.856 -0.436 0.318 1.00 96.98 12 A 1 ATOM 79 C CA . LEU A 1 12 ? -0.469 -1.185 -0.872 1.00 96.96 12 A 1 ATOM 80 C C . LEU A 1 12 ? -1.588 -1.168 -1.906 1.00 97.41 12 A 1 ATOM 81 O O . LEU A 1 12 ? -1.343 -0.993 -3.101 1.00 97.16 12 A 1 ATOM 82 C CB . LEU A 1 12 ? -0.135 -2.629 -0.494 1.00 96.81 12 A 1 ATOM 83 C CG . LEU A 1 12 ? 0.467 -3.458 -1.626 1.00 94.13 12 A 1 ATOM 84 C CD1 . LEU A 1 12 ? 1.851 -2.943 -1.990 1.00 92.28 12 A 1 ATOM 85 C CD2 . LEU A 1 12 ? 0.536 -4.926 -1.227 1.00 92.48 12 A 1 ATOM 86 N N . LEU A 1 13 ? -2.805 -1.342 -1.437 1.00 97.15 13 A 1 ATOM 87 C CA . LEU A 1 13 ? -3.978 -1.341 -2.302 1.00 97.04 13 A 1 ATOM 88 C C . LEU A 1 13 ? -4.112 -0.008 -3.030 1.00 97.23 13 A 1 ATOM 89 O O . LEU A 1 13 ? -4.351 0.040 -4.243 1.00 96.92 13 A 1 ATOM 90 C CB . LEU A 1 13 ? -5.233 -1.624 -1.468 1.00 96.87 13 A 1 ATOM 91 C CG . LEU A 1 13 ? -6.047 -2.827 -1.945 1.00 94.94 13 A 1 ATOM 92 C CD1 . LEU A 1 13 ? -6.982 -3.306 -0.844 1.00 93.57 13 A 1 ATOM 93 C CD2 . LEU A 1 13 ? -6.828 -2.477 -3.191 1.00 93.30 13 A 1 ATOM 94 N N . LEU A 1 14 ? -3.942 1.077 -2.288 1.00 97.47 14 A 1 ATOM 95 C CA . LEU A 1 14 ? -4.021 2.417 -2.858 1.00 97.22 14 A 1 ATOM 96 C C . LEU A 1 14 ? -2.909 2.637 -3.873 1.00 97.30 14 A 1 ATOM 97 O O . LEU A 1 14 ? -3.119 3.265 -4.913 1.00 96.66 14 A 1 ATOM 98 C CB . LEU A 1 14 ? -3.933 3.457 -1.743 1.00 96.85 14 A 1 ATOM 99 C CG . LEU A 1 14 ? -5.163 3.511 -0.836 1.00 94.93 14 A 1 ATOM 100 C CD1 . LEU A 1 14 ? -4.873 4.350 0.400 1.00 93.30 14 A 1 ATOM 101 C CD2 . LEU A 1 14 ? -6.356 4.078 -1.592 1.00 92.72 14 A 1 ATOM 102 N N . GLY A 1 15 ? -1.734 2.114 -3.564 1.00 97.09 15 A 1 ATOM 103 C CA . GLY A 1 15 ? -0.598 2.238 -4.465 1.00 96.80 15 A 1 ATOM 104 C C . GLY A 1 15 ? -0.860 1.571 -5.799 1.00 97.27 15 A 1 ATOM 105 O O . GLY A 1 15 ? -0.590 2.137 -6.859 1.00 96.60 15 A 1 ATOM 106 N N . VAL A 1 16 ? -1.400 0.363 -5.753 1.00 97.34 16 A 1 ATOM 107 C CA . VAL A 1 16 ? -1.728 -0.375 -6.972 1.00 97.10 16 A 1 ATOM 108 C C . VAL A 1 16 ? -2.803 0.360 -7.764 1.00 97.32 16 A 1 ATOM 109 O O . VAL A 1 16 ? -2.746 0.433 -8.995 1.00 96.78 16 A 1 ATOM 110 C CB . VAL A 1 16 ? -2.204 -1.798 -6.640 1.00 96.39 16 A 1 ATOM 111 C CG1 . VAL A 1 16 ? -2.635 -2.530 -7.906 1.00 93.48 16 A 1 ATOM 112 C CG2 . VAL A 1 16 ? -1.103 -2.573 -5.938 1.00 93.52 16 A 1 ATOM 113 N N . SER A 1 17 ? -3.765 0.915 -7.051 1.00 97.24 17 A 1 ATOM 114 C CA . SER A 1 17 ? -4.860 1.646 -7.677 1.00 97.00 17 A 1 ATOM 115 C C . SER A 1 17 ? -4.346 2.843 -8.468 1.00 97.06 17 A 1 ATOM 116 O O . SER A 1 17 ? -4.753 3.068 -9.607 1.00 95.81 17 A 1 ATOM 117 C CB . SER A 1 17 ? -5.859 2.118 -6.623 1.00 96.06 17 A 1 ATOM 118 O OG . SER A 1 17 ? -6.975 2.719 -7.238 1.00 89.66 17 A 1 ATOM 119 N N . GLN A 1 18 ? -3.444 3.603 -7.880 1.00 97.26 18 A 1 ATOM 120 C CA . GLN A 1 18 ? -2.893 4.781 -8.545 1.00 96.90 18 A 1 ATOM 121 C C . GLN A 1 18 ? -2.000 4.384 -9.715 1.00 97.00 18 A 1 ATOM 122 O O . GLN A 1 18 ? -1.863 5.135 -10.677 1.00 95.72 18 A 1 ATOM 123 C CB . GLN A 1 18 ? -2.107 5.639 -7.550 1.00 96.27 18 A 1 ATOM 124 C CG . GLN A 1 18 ? -0.806 5.021 -7.100 1.00 92.71 18 A 1 ATOM 125 C CD . GLN A 1 18 ? 0.003 5.945 -6.222 1.00 89.26 18 A 1 ATOM 126 O OE1 . GLN A 1 18 ? 1.000 6.512 -6.651 1.00 83.31 18 A 1 ATOM 127 N NE2 . GLN A 1 18 ? -0.420 6.124 -4.983 1.00 83.10 18 A 1 ATOM 128 N N . THR A 1 19 ? -1.397 3.211 -9.633 1.00 95.87 19 A 1 ATOM 129 C CA . THR A 1 19 ? -0.544 2.716 -10.715 1.00 95.35 19 A 1 ATOM 130 C C . THR A 1 19 ? -1.374 2.428 -11.961 1.00 95.18 19 A 1 ATOM 131 O O . THR A 1 19 ? -0.924 2.646 -13.088 1.00 93.24 19 A 1 ATOM 132 C CB . THR A 1 19 ? 0.198 1.442 -10.293 1.00 94.05 19 A 1 ATOM 133 O OG1 . THR A 1 19 ? 1.012 1.716 -9.157 1.00 89.09 19 A 1 ATOM 134 C CG2 . THR A 1 19 ? 1.088 0.935 -11.411 1.00 86.33 19 A 1 ATOM 135 N N . TYR A 1 20 ? -2.581 1.940 -11.740 1.00 94.52 20 A 1 ATOM 136 C CA . TYR A 1 20 ? -3.480 1.619 -12.842 1.00 93.13 20 A 1 ATOM 137 C C . TYR A 1 20 ? -4.404 2.785 -13.184 1.00 92.79 20 A 1 ATOM 138 O O . TYR A 1 20 ? -5.163 2.718 -14.148 1.00 90.73 20 A 1 ATOM 139 C CB . TYR A 1 20 ? -4.314 0.383 -12.486 1.00 91.81 20 A 1 ATOM 140 C CG . TYR A 1 20 ? -3.568 -0.917 -12.694 1.00 89.85 20 A 1 ATOM 141 C CD1 . TYR A 1 20 ? -2.555 -1.304 -11.836 1.00 87.61 20 A 1 ATOM 142 C CD2 . TYR A 1 20 ? -3.885 -1.749 -13.757 1.00 86.99 20 A 1 ATOM 143 C CE1 . TYR A 1 20 ? -1.866 -2.488 -12.029 1.00 86.46 20 A 1 ATOM 144 C CE2 . TYR A 1 20 ? -3.206 -2.939 -13.959 1.00 86.53 20 A 1 ATOM 145 C CZ . TYR A 1 20 ? -2.198 -3.304 -13.091 1.00 86.76 20 A 1 ATOM 146 O OH . TYR A 1 20 ? -1.517 -4.478 -13.285 1.00 85.25 20 A 1 ATOM 147 N N . ALA A 1 21 ? -4.324 3.857 -12.403 1.00 92.15 21 A 1 ATOM 148 C CA . ALA A 1 21 ? -5.183 5.018 -12.595 1.00 90.74 21 A 1 ATOM 149 C C . ALA A 1 21 ? -4.375 6.303 -12.479 1.00 87.63 21 A 1 ATOM 150 O O . ALA A 1 21 ? -3.887 6.606 -11.384 1.00 83.67 21 A 1 ATOM 151 C CB . ALA A 1 21 ? -6.319 5.006 -11.588 1.00 86.15 21 A 1 ATOM 152 O OXT . ALA A 1 21 ? -4.241 7.020 -13.486 1.00 78.61 21 A 1 #