# 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_spkb37543 # _entry.id spkb37543 # 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 "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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 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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O2" 103.120 UNK y UNKNOWN CC[C@@H](C(=O)O)N ? "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 TYR 2 1 n LYS 3 1 n PHE 4 1 n ILE 5 1 n PHE 6 1 n ILE 7 1 n PHE 8 1 n PHE 9 1 n THR 10 1 n VAL 11 1 n PHE 12 1 n PHE 13 1 n LEU 14 1 n ILE 15 1 n ASN 16 1 n ILE 17 1 n ILE 18 1 n GLU 19 1 n GLU 20 1 n SER 21 1 n UNK 22 1 n THR 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 @ 2025-07-03 00:06:37)" _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 89.53 _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 85.90 1 1 A TYR 2 2 86.97 1 2 A LYS 3 2 86.37 1 3 A PHE 4 2 86.86 1 4 A ILE 5 2 93.67 1 5 A PHE 6 2 91.56 1 6 A ILE 7 2 94.69 1 7 A PHE 8 2 89.54 1 8 A PHE 9 2 89.80 1 9 A THR 10 2 93.40 1 10 A VAL 11 2 95.65 1 11 A PHE 12 2 89.56 1 12 A PHE 13 2 88.74 1 13 A LEU 14 2 91.64 1 14 A ILE 15 2 94.26 1 15 A ASN 16 2 90.09 1 16 A ILE 17 2 94.11 1 17 A ILE 18 2 93.22 1 18 A GLU 19 2 85.89 1 19 A GLU 20 2 85.06 1 20 A SER 21 2 89.45 1 21 A UNK 22 2 86.21 1 22 A THR 23 2 79.24 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 TYR . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n UNK . 22 A 22 A 23 1 n THR . 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 ? 6.012 0.386 15.381 1.00 91.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.609 0.798 15.158 1.00 94.13 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.412 1.347 13.748 1.00 94.19 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.430 1.039 13.086 1.00 92.09 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.205 1.864 16.182 1.00 89.82 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.082 1.287 17.580 1.00 80.24 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.595 2.522 18.785 1.00 76.57 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.394 1.491 20.233 1.00 68.34 1 A 1 ATOM 9 N N . TYR A 1 2 ? 5.344 2.167 13.298 1.00 91.98 2 A 1 ATOM 10 C CA . TYR A 1 2 ? 5.244 2.748 11.955 1.00 93.62 2 A 1 ATOM 11 C C . TYR A 1 2 ? 5.251 1.676 10.871 1.00 94.09 2 A 1 ATOM 12 O O . TYR A 1 2 ? 4.552 1.794 9.865 1.00 92.91 2 A 1 ATOM 13 C CB . TYR A 1 2 ? 6.405 3.724 11.722 1.00 91.91 2 A 1 ATOM 14 C CG . TYR A 1 2 ? 5.996 5.160 11.967 1.00 85.40 2 A 1 ATOM 15 C CD1 . TYR A 1 2 ? 5.293 5.863 11.000 1.00 84.08 2 A 1 ATOM 16 C CD2 . TYR A 1 2 ? 6.313 5.793 13.158 1.00 83.80 2 A 1 ATOM 17 C CE1 . TYR A 1 2 ? 4.913 7.178 11.219 1.00 81.60 2 A 1 ATOM 18 C CE2 . TYR A 1 2 ? 5.933 7.113 13.384 1.00 83.53 2 A 1 ATOM 19 C CZ . TYR A 1 2 ? 5.238 7.799 12.410 1.00 81.94 2 A 1 ATOM 20 O OH . TYR A 1 2 ? 4.867 9.099 12.624 1.00 78.84 2 A 1 ATOM 21 N N . LYS A 1 3 ? 6.023 0.603 11.089 1.00 94.33 3 A 1 ATOM 22 C CA . LYS A 1 3 ? 6.082 -0.484 10.107 1.00 94.87 3 A 1 ATOM 23 C C . LYS A 1 3 ? 4.713 -1.129 9.921 1.00 95.22 3 A 1 ATOM 24 O O . LYS A 1 3 ? 4.320 -1.451 8.801 1.00 93.82 3 A 1 ATOM 25 C CB . LYS A 1 3 ? 7.101 -1.539 10.536 1.00 93.63 3 A 1 ATOM 26 C CG . LYS A 1 3 ? 8.533 -1.067 10.346 1.00 85.72 3 A 1 ATOM 27 C CD . LYS A 1 3 ? 9.512 -2.213 10.498 1.00 81.06 3 A 1 ATOM 28 C CE . LYS A 1 3 ? 10.925 -1.768 10.163 1.00 73.93 3 A 1 ATOM 29 N NZ . LYS A 1 3 ? 11.866 -2.909 10.179 1.00 64.77 3 A 1 ATOM 30 N N . PHE A 1 4 ? 3.989 -1.317 11.005 1.00 94.19 4 A 1 ATOM 31 C CA . PHE A 1 4 ? 2.656 -1.917 10.946 1.00 94.88 4 A 1 ATOM 32 C C . PHE A 1 4 ? 1.728 -1.078 10.069 1.00 95.50 4 A 1 ATOM 33 O O . PHE A 1 4 ? 1.055 -1.597 9.177 1.00 94.54 4 A 1 ATOM 34 C CB . PHE A 1 4 ? 2.079 -2.044 12.356 1.00 93.64 4 A 1 ATOM 35 C CG . PHE A 1 4 ? 0.739 -2.732 12.377 1.00 85.37 4 A 1 ATOM 36 C CD1 . PHE A 1 4 ? 0.649 -4.109 12.248 1.00 81.62 4 A 1 ATOM 37 C CD2 . PHE A 1 4 ? -0.425 -1.990 12.517 1.00 81.40 4 A 1 ATOM 38 C CE1 . PHE A 1 4 ? -0.584 -4.747 12.264 1.00 78.78 4 A 1 ATOM 39 C CE2 . PHE A 1 4 ? -1.669 -2.621 12.530 1.00 79.17 4 A 1 ATOM 40 C CZ . PHE A 1 4 ? -1.746 -4.000 12.406 1.00 76.37 4 A 1 ATOM 41 N N . ILE A 1 5 ? 1.704 0.222 10.313 1.00 95.83 5 A 1 ATOM 42 C CA . ILE A 1 5 ? 0.863 1.129 9.531 1.00 96.09 5 A 1 ATOM 43 C C . ILE A 1 5 ? 1.355 1.199 8.089 1.00 96.55 5 A 1 ATOM 44 O O . ILE A 1 5 ? 0.553 1.231 7.151 1.00 96.24 5 A 1 ATOM 45 C CB . ILE A 1 5 ? 0.856 2.533 10.159 1.00 95.58 5 A 1 ATOM 46 C CG1 . ILE A 1 5 ? 0.255 2.477 11.565 1.00 92.57 5 A 1 ATOM 47 C CG2 . ILE A 1 5 ? 0.065 3.501 9.275 1.00 91.61 5 A 1 ATOM 48 C CD1 . ILE A 1 5 ? 0.405 3.778 12.329 1.00 84.90 5 A 1 ATOM 49 N N . PHE A 1 6 ? 2.669 1.208 7.906 1.00 95.52 6 A 1 ATOM 50 C CA . PHE A 1 6 ? 3.266 1.282 6.575 1.00 95.85 6 A 1 ATOM 51 C C . PHE A 1 6 ? 2.847 0.092 5.717 1.00 96.16 6 A 1 ATOM 52 O O . PHE A 1 6 ? 2.523 0.248 4.538 1.00 95.82 6 A 1 ATOM 53 C CB . PHE A 1 6 ? 4.789 1.334 6.693 1.00 95.25 6 A 1 ATOM 54 C CG . PHE A 1 6 ? 5.467 1.487 5.359 1.00 91.80 6 A 1 ATOM 55 C CD1 . PHE A 1 6 ? 5.477 2.711 4.709 1.00 88.05 6 A 1 ATOM 56 C CD2 . PHE A 1 6 ? 6.079 0.398 4.762 1.00 88.86 6 A 1 ATOM 57 C CE1 . PHE A 1 6 ? 6.093 2.855 3.475 1.00 86.20 6 A 1 ATOM 58 C CE2 . PHE A 1 6 ? 6.699 0.531 3.521 1.00 87.02 6 A 1 ATOM 59 C CZ . PHE A 1 6 ? 6.706 1.761 2.879 1.00 86.63 6 A 1 ATOM 60 N N . ILE A 1 7 ? 2.861 -1.099 6.312 1.00 96.43 7 A 1 ATOM 61 C CA . ILE A 1 7 ? 2.473 -2.309 5.585 1.00 96.60 7 A 1 ATOM 62 C C . ILE A 1 7 ? 1.019 -2.214 5.130 1.00 96.91 7 A 1 ATOM 63 O O . ILE A 1 7 ? 0.704 -2.470 3.964 1.00 96.50 7 A 1 ATOM 64 C CB . ILE A 1 7 ? 2.674 -3.557 6.463 1.00 96.27 7 A 1 ATOM 65 C CG1 . ILE A 1 7 ? 4.164 -3.782 6.721 1.00 94.00 7 A 1 ATOM 66 C CG2 . ILE A 1 7 ? 2.064 -4.784 5.781 1.00 93.41 7 A 1 ATOM 67 C CD1 . ILE A 1 7 ? 4.426 -4.763 7.849 1.00 87.44 7 A 1 ATOM 68 N N . PHE A 1 8 ? 0.137 -1.864 6.037 1.00 95.07 8 A 1 ATOM 69 C CA . PHE A 1 8 ? -1.283 -1.750 5.708 1.00 95.19 8 A 1 ATOM 70 C C . PHE A 1 8 ? -1.513 -0.659 4.666 1.00 95.40 8 A 1 ATOM 71 O O . PHE A 1 8 ? -2.288 -0.837 3.723 1.00 95.05 8 A 1 ATOM 72 C CB . PHE A 1 8 ? -2.094 -1.458 6.973 1.00 94.75 8 A 1 ATOM 73 C CG . PHE A 1 8 ? -2.420 -2.708 7.752 1.00 88.99 8 A 1 ATOM 74 C CD1 . PHE A 1 8 ? -1.431 -3.394 8.432 1.00 84.88 8 A 1 ATOM 75 C CD2 . PHE A 1 8 ? -3.720 -3.191 7.781 1.00 86.14 8 A 1 ATOM 76 C CE1 . PHE A 1 8 ? -1.727 -4.553 9.129 1.00 83.01 8 A 1 ATOM 77 C CE2 . PHE A 1 8 ? -4.025 -4.348 8.483 1.00 83.28 8 A 1 ATOM 78 C CZ . PHE A 1 8 ? -3.027 -5.029 9.158 1.00 83.17 8 A 1 ATOM 79 N N . PHE A 1 9 ? -0.827 0.469 4.819 1.00 95.78 9 A 1 ATOM 80 C CA . PHE A 1 9 ? -0.948 1.579 3.875 1.00 95.96 9 A 1 ATOM 81 C C . PHE A 1 9 ? -0.501 1.144 2.483 1.00 96.24 9 A 1 ATOM 82 O O . PHE A 1 9 ? -1.150 1.455 1.484 1.00 95.47 9 A 1 ATOM 83 C CB . PHE A 1 9 ? -0.107 2.762 4.349 1.00 95.35 9 A 1 ATOM 84 C CG . PHE A 1 9 ? -0.365 4.010 3.547 1.00 88.64 9 A 1 ATOM 85 C CD1 . PHE A 1 9 ? 0.321 4.245 2.362 1.00 85.37 9 A 1 ATOM 86 C CD2 . PHE A 1 9 ? -1.303 4.938 3.980 1.00 85.81 9 A 1 ATOM 87 C CE1 . PHE A 1 9 ? 0.073 5.390 1.615 1.00 83.18 9 A 1 ATOM 88 C CE2 . PHE A 1 9 ? -1.552 6.086 3.234 1.00 83.28 9 A 1 ATOM 89 C CZ . PHE A 1 9 ? -0.862 6.308 2.054 1.00 82.72 9 A 1 ATOM 90 N N . THR A 1 10 ? 0.606 0.413 2.421 1.00 95.85 10 A 1 ATOM 91 C CA . THR A 1 10 ? 1.133 -0.065 1.144 1.00 96.12 10 A 1 ATOM 92 C C . THR A 1 10 ? 0.156 -1.032 0.482 1.00 96.43 10 A 1 ATOM 93 O O . THR A 1 10 ? -0.085 -0.954 -0.724 1.00 95.21 10 A 1 ATOM 94 C CB . THR A 1 10 ? 2.483 -0.760 1.346 1.00 95.11 10 A 1 ATOM 95 O OG1 . THR A 1 10 ? 3.401 0.142 1.952 1.00 88.16 10 A 1 ATOM 96 C CG2 . THR A 1 10 ? 3.058 -1.215 0.016 1.00 86.93 10 A 1 ATOM 97 N N . VAL A 1 11 ? -0.397 -1.948 1.246 1.00 96.84 11 A 1 ATOM 98 C CA . VAL A 1 11 ? -1.346 -2.925 0.713 1.00 96.83 11 A 1 ATOM 99 C C . VAL A 1 11 ? -2.572 -2.221 0.135 1.00 96.99 11 A 1 ATOM 100 O O . VAL A 1 11 ? -2.987 -2.506 -0.989 1.00 95.98 11 A 1 ATOM 101 C CB . VAL A 1 11 ? -1.774 -3.923 1.802 1.00 96.14 11 A 1 ATOM 102 C CG1 . VAL A 1 11 ? -2.882 -4.836 1.289 1.00 93.29 11 A 1 ATOM 103 C CG2 . VAL A 1 11 ? -0.580 -4.762 2.240 1.00 93.51 11 A 1 ATOM 104 N N . PHE A 1 12 ? -3.151 -1.317 0.895 1.00 95.74 12 A 1 ATOM 105 C CA . PHE A 1 12 ? -4.323 -0.578 0.429 1.00 95.50 12 A 1 ATOM 106 C C . PHE A 1 12 ? -3.993 0.241 -0.813 1.00 95.64 12 A 1 ATOM 107 O O . PHE A 1 12 ? -4.782 0.303 -1.758 1.00 95.02 12 A 1 ATOM 108 C CB . PHE A 1 12 ? -4.835 0.338 1.540 1.00 94.92 12 A 1 ATOM 109 C CG . PHE A 1 12 ? -5.812 -0.355 2.453 1.00 89.89 12 A 1 ATOM 110 C CD1 . PHE A 1 12 ? -7.103 -0.625 2.023 1.00 85.19 12 A 1 ATOM 111 C CD2 . PHE A 1 12 ? -5.434 -0.730 3.734 1.00 85.81 12 A 1 ATOM 112 C CE1 . PHE A 1 12 ? -8.005 -1.266 2.857 1.00 82.37 12 A 1 ATOM 113 C CE2 . PHE A 1 12 ? -6.334 -1.373 4.574 1.00 83.07 12 A 1 ATOM 114 C CZ . PHE A 1 12 ? -7.621 -1.639 4.134 1.00 82.00 12 A 1 ATOM 115 N N . PHE A 1 13 ? -2.820 0.855 -0.827 1.00 95.83 13 A 1 ATOM 116 C CA . PHE A 1 13 ? -2.384 1.654 -1.970 1.00 95.57 13 A 1 ATOM 117 C C . PHE A 1 13 ? -2.253 0.786 -3.217 1.00 95.96 13 A 1 ATOM 118 O O . PHE A 1 13 ? -2.724 1.157 -4.291 1.00 94.99 13 A 1 ATOM 119 C CB . PHE A 1 13 ? -1.051 2.328 -1.652 1.00 94.82 13 A 1 ATOM 120 C CG . PHE A 1 13 ? -0.583 3.232 -2.762 1.00 88.36 13 A 1 ATOM 121 C CD1 . PHE A 1 13 ? -1.169 4.473 -2.962 1.00 83.90 13 A 1 ATOM 122 C CD2 . PHE A 1 13 ? 0.444 2.829 -3.604 1.00 84.49 13 A 1 ATOM 123 C CE1 . PHE A 1 13 ? -0.741 5.302 -3.988 1.00 80.68 13 A 1 ATOM 124 C CE2 . PHE A 1 13 ? 0.877 3.655 -4.638 1.00 81.06 13 A 1 ATOM 125 C CZ . PHE A 1 13 ? 0.284 4.892 -4.828 1.00 80.45 13 A 1 ATOM 126 N N . LEU A 1 14 ? -1.626 -0.378 -3.076 1.00 95.97 14 A 1 ATOM 127 C CA . LEU A 1 14 ? -1.441 -1.289 -4.203 1.00 96.17 14 A 1 ATOM 128 C C . LEU A 1 14 ? -2.782 -1.763 -4.749 1.00 96.31 14 A 1 ATOM 129 O O . LEU A 1 14 ? -2.981 -1.804 -5.963 1.00 95.53 14 A 1 ATOM 130 C CB . LEU A 1 14 ? -0.604 -2.494 -3.764 1.00 95.46 14 A 1 ATOM 131 C CG . LEU A 1 14 ? 0.868 -2.173 -3.528 1.00 86.55 14 A 1 ATOM 132 C CD1 . LEU A 1 14 ? 1.571 -3.347 -2.870 1.00 82.38 14 A 1 ATOM 133 C CD2 . LEU A 1 14 ? 1.554 -1.839 -4.853 1.00 84.73 14 A 1 ATOM 134 N N . ILE A 1 15 ? -3.695 -2.115 -3.867 1.00 96.94 15 A 1 ATOM 135 C CA . ILE A 1 15 ? -5.021 -2.577 -4.282 1.00 96.75 15 A 1 ATOM 136 C C . ILE A 1 15 ? -5.743 -1.481 -5.063 1.00 96.64 15 A 1 ATOM 137 O O . ILE A 1 15 ? -6.380 -1.754 -6.083 1.00 95.42 15 A 1 ATOM 138 C CB . ILE A 1 15 ? -5.858 -2.999 -3.061 1.00 95.96 15 A 1 ATOM 139 C CG1 . ILE A 1 15 ? -5.235 -4.229 -2.395 1.00 92.70 15 A 1 ATOM 140 C CG2 . ILE A 1 15 ? -7.297 -3.303 -3.485 1.00 91.75 15 A 1 ATOM 141 C CD1 . ILE A 1 15 ? -5.827 -4.526 -1.032 1.00 87.93 15 A 1 ATOM 142 N N . ASN A 1 16 ? -5.636 -0.257 -4.591 1.00 95.81 16 A 1 ATOM 143 C CA . ASN A 1 16 ? -6.280 0.872 -5.262 1.00 95.71 16 A 1 ATOM 144 C C . ASN A 1 16 ? -5.682 1.097 -6.649 1.00 95.88 16 A 1 ATOM 145 O O . ASN A 1 16 ? -6.411 1.322 -7.617 1.00 94.19 16 A 1 ATOM 146 C CB . ASN A 1 16 ? -6.127 2.134 -4.415 1.00 94.69 16 A 1 ATOM 147 C CG . ASN A 1 16 ? -6.985 3.259 -4.944 1.00 87.50 16 A 1 ATOM 148 O OD1 . ASN A 1 16 ? -6.760 3.773 -6.023 1.00 77.88 16 A 1 ATOM 149 N ND2 . ASN A 1 16 ? -7.986 3.664 -4.182 1.00 79.06 16 A 1 ATOM 150 N N . ILE A 1 17 ? -4.361 1.014 -6.755 1.00 96.72 17 A 1 ATOM 151 C CA . ILE A 1 17 ? -3.683 1.198 -8.040 1.00 96.68 17 A 1 ATOM 152 C C . ILE A 1 17 ? -4.069 0.098 -9.017 1.00 96.67 17 A 1 ATOM 153 O O . ILE A 1 17 ? -4.309 0.353 -10.197 1.00 95.50 17 A 1 ATOM 154 C CB . ILE A 1 17 ? -2.157 1.229 -7.851 1.00 95.99 17 A 1 ATOM 155 C CG1 . ILE A 1 17 ? -1.745 2.441 -7.006 1.00 92.11 17 A 1 ATOM 156 C CG2 . ILE A 1 17 ? -1.448 1.261 -9.201 1.00 91.81 17 A 1 ATOM 157 C CD1 . ILE A 1 17 ? -2.075 3.772 -7.658 1.00 87.38 17 A 1 ATOM 158 N N . ILE A 1 18 ? -4.121 -1.140 -8.538 1.00 96.54 18 A 1 ATOM 159 C CA . ILE A 1 18 ? -4.481 -2.275 -9.387 1.00 96.24 18 A 1 ATOM 160 C C . ILE A 1 18 ? -5.903 -2.113 -9.914 1.00 95.76 18 A 1 ATOM 161 O O . ILE A 1 18 ? -6.169 -2.377 -11.087 1.00 94.66 18 A 1 ATOM 162 C CB . ILE A 1 18 ? -4.350 -3.596 -8.611 1.00 95.34 18 A 1 ATOM 163 C CG1 . ILE A 1 18 ? -2.882 -3.863 -8.266 1.00 91.47 18 A 1 ATOM 164 C CG2 . ILE A 1 18 ? -4.916 -4.757 -9.429 1.00 90.65 18 A 1 ATOM 165 C CD1 . ILE A 1 18 ? -2.701 -4.943 -7.215 1.00 85.10 18 A 1 ATOM 166 N N . GLU A 1 19 ? -6.804 -1.692 -9.059 1.00 96.00 19 A 1 ATOM 167 C CA . GLU A 1 19 ? -8.200 -1.486 -9.454 1.00 95.31 19 A 1 ATOM 168 C C . GLU A 1 19 ? -8.307 -0.380 -10.497 1.00 94.58 19 A 1 ATOM 169 O O . GLU A 1 19 ? -9.030 -0.519 -11.491 1.00 92.11 19 A 1 ATOM 170 C CB . GLU A 1 19 ? -9.039 -1.138 -8.222 1.00 93.65 19 A 1 ATOM 171 C CG . GLU A 1 19 ? -10.536 -1.231 -8.477 1.00 82.92 19 A 1 ATOM 172 C CD . GLU A 1 19 ? -11.084 0.011 -9.144 1.00 76.90 19 A 1 ATOM 173 O OE1 . GLU A 1 19 ? -10.667 1.119 -8.772 1.00 70.70 19 A 1 ATOM 174 O OE2 . GLU A 1 19 ? -11.937 -0.127 -10.043 1.00 70.85 19 A 1 ATOM 175 N N . GLU A 1 20 ? -7.584 0.705 -10.284 1.00 95.39 20 A 1 ATOM 176 C CA . GLU A 1 20 ? -7.596 1.832 -11.220 1.00 94.82 20 A 1 ATOM 177 C C . GLU A 1 20 ? -6.950 1.451 -12.547 1.00 94.31 20 A 1 ATOM 178 O O . GLU A 1 20 ? -7.437 1.824 -13.616 1.00 90.06 20 A 1 ATOM 179 C CB . GLU A 1 20 ? -6.862 3.030 -10.609 1.00 92.69 20 A 1 ATOM 180 C CG . GLU A 1 20 ? -6.905 4.269 -11.484 1.00 82.64 20 A 1 ATOM 181 C CD . GLU A 1 20 ? -8.317 4.815 -11.620 1.00 76.07 20 A 1 ATOM 182 O OE1 . GLU A 1 20 ? -9.110 4.653 -10.680 1.00 69.88 20 A 1 ATOM 183 O OE2 . GLU A 1 20 ? -8.620 5.403 -12.671 1.00 69.71 20 A 1 ATOM 184 N N . SER A 1 21 ? -5.856 0.705 -12.485 1.00 93.75 21 A 1 ATOM 185 C CA . SER A 1 21 ? -5.133 0.283 -13.687 1.00 93.13 21 A 1 ATOM 186 C C . SER A 1 21 ? -5.875 -0.825 -14.424 1.00 91.31 21 A 1 ATOM 187 O O . SER A 1 21 ? -5.792 -0.931 -15.648 1.00 85.92 21 A 1 ATOM 188 C CB . SER A 1 21 ? -3.728 -0.194 -13.321 1.00 91.97 21 A 1 ATOM 189 O OG . SER A 1 21 ? -3.005 -0.535 -14.484 1.00 80.60 21 A 1 HETATM 190 N N . UNK A 1 22 ? -6.583 -1.661 -13.692 1.00 90.76 22 A 1 HETATM 191 C CA . UNK A 1 22 ? -7.320 -2.778 -14.274 1.00 87.83 22 A 1 HETATM 192 C C . UNK A 1 22 ? -8.484 -2.317 -15.135 1.00 85.49 22 A 1 HETATM 193 O O . UNK A 1 22 ? -8.858 -2.987 -16.095 1.00 80.76 22 A 1 ATOM 194 N N . THR A 1 23 ? -9.044 -1.182 -14.797 1.00 87.35 23 A 1 ATOM 195 C CA . THR A 1 23 ? -10.184 -0.639 -15.536 1.00 86.43 23 A 1 ATOM 196 C C . THR A 1 23 ? -9.741 0.505 -16.440 1.00 81.88 23 A 1 ATOM 197 O O . THR A 1 23 ? -10.031 0.477 -17.638 1.00 74.74 23 A 1 ATOM 198 C CB . THR A 1 23 ? -11.272 -0.137 -14.576 1.00 81.17 23 A 1 ATOM 199 O OG1 . THR A 1 23 ? -10.707 0.812 -13.665 1.00 74.34 23 A 1 ATOM 200 C CG2 . THR A 1 23 ? -11.873 -1.284 -13.791 1.00 73.28 23 A 1 ATOM 201 O OXT . THR A 1 23 ? -9.118 1.423 -15.936 1.00 74.74 23 A 1 #