# 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_spkb24282 # _entry.id spkb24282 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 LYS 2 1 n LEU 3 1 n THR 4 1 n LEU 5 1 n ILE 6 1 n ILE 7 1 n LEU 8 1 n LEU 9 1 n VAL 10 1 n VAL 11 1 n ALA 12 1 n TYR 13 1 n SER 14 1 n TRP 15 1 n CYS 16 1 n SER 17 1 n GLU 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 @ 2025-07-05 22:57:48)" _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 94.04 _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 88.88 1 1 A LYS 2 2 88.38 1 2 A LEU 3 2 94.14 1 3 A THR 4 2 95.64 1 4 A LEU 5 2 95.44 1 5 A ILE 6 2 96.82 1 6 A ILE 7 2 96.80 1 7 A LEU 8 2 95.06 1 8 A LEU 9 2 94.97 1 9 A VAL 10 2 97.56 1 10 A VAL 11 2 97.35 1 11 A ALA 12 2 98.14 1 12 A TYR 13 2 95.26 1 13 A SER 14 2 96.22 1 14 A TRP 15 2 94.26 1 15 A CYS 16 2 95.92 1 16 A SER 17 2 94.55 1 17 A GLU 18 2 86.16 1 18 A ALA 19 2 88.54 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 LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n TRP . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n GLU . 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 ? -14.030 -0.873 -7.763 1.00 95.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.111 -1.022 -6.293 1.00 95.98 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.211 -0.001 -5.598 1.00 96.59 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.038 0.124 -5.940 1.00 94.35 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.697 -2.428 -5.875 1.00 92.52 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.330 -2.859 -4.565 1.00 85.43 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.233 -4.631 -4.327 1.00 80.52 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.121 -4.808 -2.792 1.00 69.94 1 A 1 ATOM 9 N N . LYS A 1 2 ? -13.781 0.729 -4.643 1.00 96.32 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -13.028 1.768 -3.929 1.00 96.52 2 A 1 ATOM 11 C C . LYS A 1 2 ? -12.191 1.181 -2.791 1.00 96.79 2 A 1 ATOM 12 O O . LYS A 1 2 ? -11.084 1.646 -2.525 1.00 96.47 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -13.996 2.813 -3.375 1.00 95.19 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -14.748 3.571 -4.452 1.00 87.64 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -15.648 4.633 -3.853 1.00 83.43 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -16.387 5.395 -4.937 1.00 75.45 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -17.458 4.566 -5.538 1.00 67.59 2 A 1 ATOM 18 N N . LEU A 1 3 ? -12.729 0.167 -2.116 1.00 97.66 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -12.026 -0.463 -0.997 1.00 97.85 3 A 1 ATOM 20 C C . LEU A 1 3 ? -10.700 -1.069 -1.441 1.00 98.20 3 A 1 ATOM 21 O O . LEU A 1 3 ? -9.701 -0.981 -0.724 1.00 97.83 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -12.911 -1.545 -0.373 1.00 97.50 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -14.013 -1.016 0.538 1.00 90.16 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -14.986 -2.131 0.887 1.00 86.19 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -13.420 -0.421 1.803 1.00 87.70 3 A 1 ATOM 26 N N . THR A 1 4 ? -10.689 -1.676 -2.611 1.00 97.69 4 A 1 ATOM 27 C CA . THR A 1 4 ? -9.472 -2.288 -3.138 1.00 97.92 4 A 1 ATOM 28 C C . THR A 1 4 ? -8.370 -1.250 -3.310 1.00 98.11 4 A 1 ATOM 29 O O . THR A 1 4 ? -7.198 -1.531 -3.057 1.00 97.78 4 A 1 ATOM 30 C CB . THR A 1 4 ? -9.745 -2.971 -4.485 1.00 97.72 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? -10.569 -2.151 -5.296 1.00 91.65 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? -10.411 -4.316 -4.279 1.00 88.62 4 A 1 ATOM 33 N N . LEU A 1 5 ? -8.746 -0.058 -3.722 1.00 98.15 5 A 1 ATOM 34 C CA . LEU A 1 5 ? -7.780 1.021 -3.909 1.00 98.11 5 A 1 ATOM 35 C C . LEU A 1 5 ? -7.184 1.448 -2.572 1.00 98.29 5 A 1 ATOM 36 O O . LEU A 1 5 ? -5.981 1.693 -2.470 1.00 98.26 5 A 1 ATOM 37 C CB . LEU A 1 5 ? -8.461 2.209 -4.589 1.00 98.05 5 A 1 ATOM 38 C CG . LEU A 1 5 ? -7.508 3.339 -4.975 1.00 92.93 5 A 1 ATOM 39 C CD1 . LEU A 1 5 ? -6.568 2.887 -6.089 1.00 88.85 5 A 1 ATOM 40 C CD2 . LEU A 1 5 ? -8.293 4.563 -5.424 1.00 90.92 5 A 1 ATOM 41 N N . ILE A 1 6 ? -8.034 1.540 -1.556 1.00 98.19 6 A 1 ATOM 42 C CA . ILE A 1 6 ? -7.592 1.934 -0.218 1.00 98.09 6 A 1 ATOM 43 C C . ILE A 1 6 ? -6.647 0.887 0.355 1.00 98.20 6 A 1 ATOM 44 O O . ILE A 1 6 ? -5.599 1.215 0.915 1.00 98.07 6 A 1 ATOM 45 C CB . ILE A 1 6 ? -8.799 2.129 0.723 1.00 98.07 6 A 1 ATOM 46 C CG1 . ILE A 1 6 ? -9.775 3.155 0.138 1.00 96.53 6 A 1 ATOM 47 C CG2 . ILE A 1 6 ? -8.326 2.577 2.110 1.00 96.22 6 A 1 ATOM 48 C CD1 . ILE A 1 6 ? -9.162 4.523 -0.075 1.00 91.17 6 A 1 ATOM 49 N N . ILE A 1 7 ? -7.029 -0.371 0.216 1.00 97.97 7 A 1 ATOM 50 C CA . ILE A 1 7 ? -6.212 -1.472 0.723 1.00 97.91 7 A 1 ATOM 51 C C . ILE A 1 7 ? -4.856 -1.484 0.026 1.00 98.01 7 A 1 ATOM 52 O O . ILE A 1 7 ? -3.821 -1.677 0.669 1.00 97.98 7 A 1 ATOM 53 C CB . ILE A 1 7 ? -6.936 -2.821 0.517 1.00 97.97 7 A 1 ATOM 54 C CG1 . ILE A 1 7 ? -8.207 -2.876 1.369 1.00 96.66 7 A 1 ATOM 55 C CG2 . ILE A 1 7 ? -6.010 -3.981 0.889 1.00 95.95 7 A 1 ATOM 56 C CD1 . ILE A 1 7 ? -9.141 -3.995 0.971 1.00 91.98 7 A 1 ATOM 57 N N . LEU A 1 8 ? -4.868 -1.277 -1.263 1.00 98.28 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -3.634 -1.250 -2.043 1.00 98.14 8 A 1 ATOM 59 C C . LEU A 1 8 ? -2.715 -0.138 -1.553 1.00 98.23 8 A 1 ATOM 60 O O . LEU A 1 8 ? -1.502 -0.323 -1.445 1.00 98.14 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -3.961 -1.049 -3.523 1.00 98.04 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -2.763 -1.220 -4.455 1.00 90.88 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -2.353 -2.685 -4.544 1.00 88.09 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -3.085 -0.687 -5.841 1.00 90.69 8 A 1 ATOM 65 N N . LEU A 1 9 ? -3.295 1.007 -1.250 1.00 98.02 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -2.534 2.155 -0.760 1.00 97.90 9 A 1 ATOM 67 C C . LEU A 1 9 ? -1.913 1.843 0.598 1.00 98.01 9 A 1 ATOM 68 O O . LEU A 1 9 ? -0.749 2.166 0.840 1.00 97.81 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -3.453 3.376 -0.653 1.00 97.76 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -2.717 4.699 -0.419 1.00 92.10 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -1.964 5.125 -1.678 1.00 88.07 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -3.699 5.791 -0.015 1.00 90.11 9 A 1 ATOM 73 N N . VAL A 1 10 ? -2.684 1.215 1.467 1.00 98.27 10 A 1 ATOM 74 C CA . VAL A 1 10 ? -2.205 0.855 2.802 1.00 98.16 10 A 1 ATOM 75 C C . VAL A 1 10 ? -1.052 -0.136 2.699 1.00 98.18 10 A 1 ATOM 76 O O . VAL A 1 10 ? -0.048 -0.012 3.407 1.00 97.79 10 A 1 ATOM 77 C CB . VAL A 1 10 ? -3.342 0.256 3.650 1.00 97.91 10 A 1 ATOM 78 C CG1 . VAL A 1 10 ? -2.814 -0.238 4.989 1.00 96.30 10 A 1 ATOM 79 C CG2 . VAL A 1 10 ? -4.435 1.295 3.878 1.00 96.28 10 A 1 ATOM 80 N N . VAL A 1 11 ? -1.196 -1.113 1.826 1.00 98.26 11 A 1 ATOM 81 C CA . VAL A 1 11 ? -0.156 -2.120 1.629 1.00 98.09 11 A 1 ATOM 82 C C . VAL A 1 11 ? 1.120 -1.462 1.116 1.00 98.12 11 A 1 ATOM 83 O O . VAL A 1 11 ? 2.222 -1.790 1.561 1.00 97.76 11 A 1 ATOM 84 C CB . VAL A 1 11 ? -0.625 -3.204 0.645 1.00 97.75 11 A 1 ATOM 85 C CG1 . VAL A 1 11 ? 0.509 -4.163 0.322 1.00 95.64 11 A 1 ATOM 86 C CG2 . VAL A 1 11 ? -1.801 -3.971 1.232 1.00 95.84 11 A 1 ATOM 87 N N . ALA A 1 12 ? 0.965 -0.542 0.191 1.00 98.30 12 A 1 ATOM 88 C CA . ALA A 1 12 ? 2.105 0.171 -0.373 1.00 98.24 12 A 1 ATOM 89 C C . ALA A 1 12 ? 2.828 0.973 0.703 1.00 98.27 12 A 1 ATOM 90 O O . ALA A 1 12 ? 4.056 1.004 0.742 1.00 97.91 12 A 1 ATOM 91 C CB . ALA A 1 12 ? 1.636 1.093 -1.491 1.00 97.99 12 A 1 ATOM 92 N N . TYR A 1 13 ? 2.060 1.609 1.565 1.00 98.19 13 A 1 ATOM 93 C CA . TYR A 1 13 ? 2.631 2.398 2.654 1.00 98.12 13 A 1 ATOM 94 C C . TYR A 1 13 ? 3.388 1.501 3.627 1.00 98.11 13 A 1 ATOM 95 O O . TYR A 1 13 ? 4.491 1.837 4.066 1.00 97.57 13 A 1 ATOM 96 C CB . TYR A 1 13 ? 1.519 3.148 3.397 1.00 97.88 13 A 1 ATOM 97 C CG . TYR A 1 13 ? 1.314 4.555 2.874 1.00 96.08 13 A 1 ATOM 98 C CD1 . TYR A 1 13 ? 2.269 5.538 3.098 1.00 93.27 13 A 1 ATOM 99 C CD2 . TYR A 1 13 ? 0.163 4.887 2.174 1.00 93.70 13 A 1 ATOM 100 C CE1 . TYR A 1 13 ? 2.080 6.828 2.621 1.00 92.32 13 A 1 ATOM 101 C CE2 . TYR A 1 13 ? -0.029 6.179 1.694 1.00 93.19 13 A 1 ATOM 102 C CZ . TYR A 1 13 ? 0.931 7.141 1.920 1.00 93.05 13 A 1 ATOM 103 O OH . TYR A 1 13 ? 0.745 8.414 1.454 1.00 91.59 13 A 1 ATOM 104 N N . SER A 1 14 ? 2.801 0.362 3.950 1.00 98.30 14 A 1 ATOM 105 C CA . SER A 1 14 ? 3.416 -0.590 4.865 1.00 98.22 14 A 1 ATOM 106 C C . SER A 1 14 ? 4.715 -1.138 4.282 1.00 98.26 14 A 1 ATOM 107 O O . SER A 1 14 ? 5.719 -1.262 4.979 1.00 97.55 14 A 1 ATOM 108 C CB . SER A 1 14 ? 2.456 -1.739 5.155 1.00 97.77 14 A 1 ATOM 109 O OG . SER A 1 14 ? 2.993 -2.573 6.155 1.00 87.22 14 A 1 ATOM 110 N N . TRP A 1 15 ? 4.687 -1.465 2.992 1.00 98.12 15 A 1 ATOM 111 C CA . TRP A 1 15 ? 5.862 -1.998 2.310 1.00 98.11 15 A 1 ATOM 112 C C . TRP A 1 15 ? 6.965 -0.947 2.230 1.00 98.21 15 A 1 ATOM 113 O O . TRP A 1 15 ? 8.134 -1.241 2.469 1.00 97.58 15 A 1 ATOM 114 C CB . TRP A 1 15 ? 5.485 -2.463 0.905 1.00 97.69 15 A 1 ATOM 115 C CG . TRP A 1 15 ? 6.374 -3.548 0.400 1.00 95.93 15 A 1 ATOM 116 C CD1 . TRP A 1 15 ? 6.340 -4.854 0.772 1.00 92.02 15 A 1 ATOM 117 C CD2 . TRP A 1 15 ? 7.440 -3.433 -0.559 1.00 94.34 15 A 1 ATOM 118 N NE1 . TRP A 1 15 ? 7.316 -5.555 0.108 1.00 93.14 15 A 1 ATOM 119 C CE2 . TRP A 1 15 ? 8.010 -4.711 -0.722 1.00 94.80 15 A 1 ATOM 120 C CE3 . TRP A 1 15 ? 7.960 -2.367 -1.298 1.00 92.56 15 A 1 ATOM 121 C CZ2 . TRP A 1 15 ? 9.077 -4.941 -1.595 1.00 91.63 15 A 1 ATOM 122 C CZ3 . TRP A 1 15 ? 9.028 -2.595 -2.171 1.00 87.82 15 A 1 ATOM 123 C CH2 . TRP A 1 15 ? 9.572 -3.874 -2.308 1.00 87.73 15 A 1 ATOM 124 N N . CYS A 1 16 ? 6.584 0.275 1.915 1.00 97.71 16 A 1 ATOM 125 C CA . CYS A 1 16 ? 7.540 1.376 1.813 1.00 97.66 16 A 1 ATOM 126 C C . CYS A 1 16 ? 8.134 1.704 3.180 1.00 97.57 16 A 1 ATOM 127 O O . CYS A 1 16 ? 9.308 2.048 3.285 1.00 96.81 16 A 1 ATOM 128 C CB . CYS A 1 16 ? 6.857 2.614 1.226 1.00 96.82 16 A 1 ATOM 129 S SG . CYS A 1 16 ? 8.040 3.908 0.809 1.00 88.93 16 A 1 ATOM 130 N N . SER A 1 17 ? 7.320 1.599 4.213 1.00 97.76 17 A 1 ATOM 131 C CA . SER A 1 17 ? 7.760 1.890 5.577 1.00 97.53 17 A 1 ATOM 132 C C . SER A 1 17 ? 8.813 0.887 6.042 1.00 97.20 17 A 1 ATOM 133 O O . SER A 1 17 ? 9.716 1.231 6.804 1.00 95.77 17 A 1 ATOM 134 C CB . SER A 1 17 ? 6.573 1.869 6.536 1.00 96.29 17 A 1 ATOM 135 O OG . SER A 1 17 ? 6.977 2.317 7.817 1.00 82.77 17 A 1 ATOM 136 N N . GLU A 1 18 ? 8.686 -0.360 5.581 1.00 96.30 18 A 1 ATOM 137 C CA . GLU A 1 18 ? 9.637 -1.415 5.938 1.00 95.49 18 A 1 ATOM 138 C C . GLU A 1 18 ? 11.001 -1.187 5.303 1.00 94.11 18 A 1 ATOM 139 O O . GLU A 1 18 ? 12.022 -1.623 5.836 1.00 88.81 18 A 1 ATOM 140 C CB . GLU A 1 18 ? 9.095 -2.780 5.511 1.00 93.62 18 A 1 ATOM 141 C CG . GLU A 1 18 ? 8.325 -3.475 6.611 1.00 83.50 18 A 1 ATOM 142 C CD . GLU A 1 18 ? 9.229 -3.877 7.759 1.00 78.42 18 A 1 ATOM 143 O OE1 . GLU A 1 18 ? 10.233 -4.555 7.510 1.00 71.86 18 A 1 ATOM 144 O OE2 . GLU A 1 18 ? 8.928 -3.506 8.909 1.00 73.32 18 A 1 ATOM 145 N N . ALA A 1 19 ? 11.009 -0.516 4.174 1.00 94.95 19 A 1 ATOM 146 C CA . ALA A 1 19 ? 12.242 -0.251 3.447 1.00 93.17 19 A 1 ATOM 147 C C . ALA A 1 19 ? 13.093 0.802 4.156 1.00 89.60 19 A 1 ATOM 148 O O . ALA A 1 19 ? 12.544 1.667 4.847 1.00 83.70 19 A 1 ATOM 149 C CB . ALA A 1 19 ? 11.930 0.179 2.017 1.00 89.69 19 A 1 ATOM 150 O OXT . ALA A 1 19 ? 14.328 0.765 4.018 1.00 80.11 19 A 1 #