# 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_spkb42067 # _entry.id spkb42067 # 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 "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "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" "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 ARG 3 1 n LEU 4 1 n LEU 5 1 n PHE 6 1 n PHE 7 1 n LEU 8 1 n ILE 9 1 n CYS 10 1 n VAL 11 1 n PHE 12 1 n PHE 13 1 n SER 14 1 n LYS 15 1 n THR 16 1 n SER 17 1 n TYR 18 1 n SER 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 04:47:43)" _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 83.45 _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 78.63 1 1 A LYS 2 2 77.77 1 2 A ARG 3 2 76.52 1 3 A LEU 4 2 87.69 1 4 A LEU 5 2 86.41 1 5 A PHE 6 2 85.31 1 6 A PHE 7 2 85.92 1 7 A LEU 8 2 88.56 1 8 A ILE 9 2 91.11 1 9 A CYS 10 2 90.46 1 10 A VAL 11 2 91.47 1 11 A PHE 12 2 85.50 1 12 A PHE 13 2 84.67 1 13 A SER 14 2 90.15 1 14 A LYS 15 2 83.04 1 15 A THR 16 2 84.47 1 16 A SER 17 2 81.12 1 17 A TYR 18 2 74.17 1 18 A SER 19 2 70.07 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 ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n CYS . 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 SER . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n SER . 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 ? -15.042 -3.890 0.083 1.00 82.25 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.603 -4.171 0.254 1.00 87.04 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.788 -3.342 -0.736 1.00 86.83 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.566 -3.776 -1.863 1.00 83.84 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.333 -5.663 0.010 1.00 81.91 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.043 -6.547 1.022 1.00 74.85 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.080 -8.274 0.507 1.00 70.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.978 -8.997 1.719 1.00 61.93 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.394 -2.153 -0.327 1.00 84.80 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -11.642 -1.257 -1.207 1.00 87.01 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.476 -0.603 -0.463 1.00 86.53 2 A 1 ATOM 12 O O . LYS A 1 2 ? -9.338 -0.692 -0.905 1.00 83.55 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -12.579 -0.179 -1.777 1.00 83.31 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -13.686 -0.751 -2.650 1.00 74.68 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -14.749 0.294 -2.944 1.00 73.95 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -15.978 -0.339 -3.570 1.00 66.55 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -17.050 0.664 -3.758 1.00 59.56 2 A 1 ATOM 18 N N . ARG A 1 3 ? -10.784 0.047 0.656 1.00 88.06 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -9.754 0.740 1.433 1.00 91.17 3 A 1 ATOM 20 C C . ARG A 1 3 ? -8.734 -0.246 1.992 1.00 92.10 3 A 1 ATOM 21 O O . ARG A 1 3 ? -7.536 0.034 1.981 1.00 88.23 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -10.388 1.529 2.579 1.00 87.35 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -10.972 2.864 2.144 1.00 75.58 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -12.387 2.685 1.604 1.00 74.66 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -13.115 3.950 1.579 1.00 67.87 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -14.311 4.110 1.058 1.00 63.04 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -14.936 3.103 0.483 1.00 59.15 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -14.900 5.281 1.113 1.00 54.51 3 A 1 ATOM 29 N N . LEU A 1 4 ? -9.216 -1.374 2.472 1.00 90.30 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -8.334 -2.397 3.033 1.00 91.92 4 A 1 ATOM 31 C C . LEU A 1 4 ? -7.393 -2.948 1.970 1.00 93.80 4 A 1 ATOM 32 O O . LEU A 1 4 ? -6.196 -3.113 2.220 1.00 92.94 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -9.186 -3.517 3.646 1.00 91.75 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -8.951 -3.682 5.148 1.00 83.63 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -10.181 -4.285 5.816 1.00 78.23 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -7.745 -4.559 5.403 1.00 78.96 4 A 1 ATOM 37 N N . LEU A 1 5 ? -7.925 -3.199 0.785 1.00 90.00 5 A 1 ATOM 38 C CA . LEU A 1 5 ? -7.114 -3.697 -0.325 1.00 90.34 5 A 1 ATOM 39 C C . LEU A 1 5 ? -6.097 -2.649 -0.754 1.00 91.38 5 A 1 ATOM 40 O O . LEU A 1 5 ? -4.932 -2.971 -0.989 1.00 91.93 5 A 1 ATOM 41 C CB . LEU A 1 5 ? -8.030 -4.074 -1.491 1.00 90.77 5 A 1 ATOM 42 C CG . LEU A 1 5 ? -8.490 -5.527 -1.447 1.00 80.87 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? -9.748 -5.695 -2.290 1.00 76.77 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? -7.392 -6.443 -1.980 1.00 79.20 5 A 1 ATOM 45 N N . PHE A 1 6 ? -6.528 -1.405 -0.844 1.00 89.77 6 A 1 ATOM 46 C CA . PHE A 1 6 ? -5.645 -0.306 -1.223 1.00 90.52 6 A 1 ATOM 47 C C . PHE A 1 6 ? -4.535 -0.126 -0.190 1.00 91.36 6 A 1 ATOM 48 O O . PHE A 1 6 ? -3.384 0.112 -0.548 1.00 90.75 6 A 1 ATOM 49 C CB . PHE A 1 6 ? -6.464 0.975 -1.356 1.00 90.00 6 A 1 ATOM 50 C CG . PHE A 1 6 ? -5.689 2.077 -2.028 1.00 85.59 6 A 1 ATOM 51 C CD1 . PHE A 1 6 ? -4.985 3.010 -1.274 1.00 81.75 6 A 1 ATOM 52 C CD2 . PHE A 1 6 ? -5.662 2.160 -3.417 1.00 82.47 6 A 1 ATOM 53 C CE1 . PHE A 1 6 ? -4.263 4.022 -1.900 1.00 78.64 6 A 1 ATOM 54 C CE2 . PHE A 1 6 ? -4.942 3.173 -4.045 1.00 79.36 6 A 1 ATOM 55 C CZ . PHE A 1 6 ? -4.244 4.102 -3.284 1.00 78.24 6 A 1 ATOM 56 N N . PHE A 1 7 ? -4.886 -0.256 1.078 1.00 90.21 7 A 1 ATOM 57 C CA . PHE A 1 7 ? -3.913 -0.135 2.160 1.00 90.76 7 A 1 ATOM 58 C C . PHE A 1 7 ? -2.861 -1.237 2.057 1.00 91.59 7 A 1 ATOM 59 O O . PHE A 1 7 ? -1.669 -0.978 2.224 1.00 90.96 7 A 1 ATOM 60 C CB . PHE A 1 7 ? -4.632 -0.211 3.504 1.00 91.17 7 A 1 ATOM 61 C CG . PHE A 1 7 ? -3.779 0.310 4.637 1.00 86.27 7 A 1 ATOM 62 C CD1 . PHE A 1 7 ? -2.973 -0.551 5.378 1.00 82.04 7 A 1 ATOM 63 C CD2 . PHE A 1 7 ? -3.787 1.666 4.945 1.00 82.82 7 A 1 ATOM 64 C CE1 . PHE A 1 7 ? -2.181 -0.062 6.415 1.00 79.39 7 A 1 ATOM 65 C CE2 . PHE A 1 7 ? -2.996 2.157 5.984 1.00 79.77 7 A 1 ATOM 66 C CZ . PHE A 1 7 ? -2.198 1.292 6.716 1.00 80.09 7 A 1 ATOM 67 N N . LEU A 1 8 ? -3.306 -2.441 1.767 1.00 92.16 8 A 1 ATOM 68 C CA . LEU A 1 8 ? -2.391 -3.571 1.604 1.00 92.09 8 A 1 ATOM 69 C C . LEU A 1 8 ? -1.454 -3.339 0.426 1.00 92.44 8 A 1 ATOM 70 O O . LEU A 1 8 ? -0.254 -3.609 0.521 1.00 92.20 8 A 1 ATOM 71 C CB . LEU A 1 8 ? -3.209 -4.853 1.401 1.00 92.15 8 A 1 ATOM 72 C CG . LEU A 1 8 ? -3.366 -5.652 2.696 1.00 84.65 8 A 1 ATOM 73 C CD1 . LEU A 1 8 ? -4.606 -6.536 2.624 1.00 80.63 8 A 1 ATOM 74 C CD2 . LEU A 1 8 ? -2.135 -6.514 2.934 1.00 82.16 8 A 1 ATOM 75 N N . ILE A 1 9 ? -1.994 -2.823 -0.663 1.00 93.29 9 A 1 ATOM 76 C CA . ILE A 1 9 ? -1.198 -2.529 -1.853 1.00 93.05 9 A 1 ATOM 77 C C . ILE A 1 9 ? -0.182 -1.430 -1.539 1.00 93.14 9 A 1 ATOM 78 O O . ILE A 1 9 ? 0.966 -1.495 -1.981 1.00 91.91 9 A 1 ATOM 79 C CB . ILE A 1 9 ? -2.121 -2.115 -3.017 1.00 93.05 9 A 1 ATOM 80 C CG1 . ILE A 1 9 ? -2.975 -3.302 -3.488 1.00 90.23 9 A 1 ATOM 81 C CG2 . ILE A 1 9 ? -1.278 -1.595 -4.195 1.00 89.32 9 A 1 ATOM 82 C CD1 . ILE A 1 9 ? -4.240 -2.862 -4.194 1.00 84.90 9 A 1 ATOM 83 N N . CYS A 1 10 ? -0.598 -0.446 -0.772 1.00 92.92 10 A 1 ATOM 84 C CA . CYS A 1 10 ? 0.277 0.665 -0.398 1.00 92.46 10 A 1 ATOM 85 C C . CYS A 1 10 ? 1.453 0.164 0.443 1.00 92.47 10 A 1 ATOM 86 O O . CYS A 1 10 ? 2.593 0.569 0.220 1.00 91.16 10 A 1 ATOM 87 C CB . CYS A 1 10 ? -0.533 1.714 0.369 1.00 91.30 10 A 1 ATOM 88 S SG . CYS A 1 10 ? 0.321 3.302 0.400 1.00 82.45 10 A 1 ATOM 89 N N . VAL A 1 11 ? 1.184 -0.715 1.374 1.00 93.69 11 A 1 ATOM 90 C CA . VAL A 1 11 ? 2.230 -1.287 2.228 1.00 93.32 11 A 1 ATOM 91 C C . VAL A 1 11 ? 3.176 -2.142 1.385 1.00 93.27 11 A 1 ATOM 92 O O . VAL A 1 11 ? 4.397 -2.087 1.556 1.00 91.86 11 A 1 ATOM 93 C CB . VAL A 1 11 ? 1.609 -2.118 3.365 1.00 92.70 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? 2.687 -2.828 4.177 1.00 87.69 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? 0.805 -1.222 4.304 1.00 87.79 11 A 1 ATOM 96 N N . PHE A 1 12 ? 2.612 -2.905 0.479 1.00 91.64 12 A 1 ATOM 97 C CA . PHE A 1 12 ? 3.407 -3.748 -0.413 1.00 91.36 12 A 1 ATOM 98 C C . PHE A 1 12 ? 4.280 -2.890 -1.322 1.00 91.69 12 A 1 ATOM 99 O O . PHE A 1 12 ? 5.455 -3.201 -1.531 1.00 90.53 12 A 1 ATOM 100 C CB . PHE A 1 12 ? 2.470 -4.624 -1.242 1.00 91.29 12 A 1 ATOM 101 C CG . PHE A 1 12 ? 3.185 -5.814 -1.827 1.00 84.51 12 A 1 ATOM 102 C CD1 . PHE A 1 12 ? 3.723 -5.751 -3.107 1.00 80.42 12 A 1 ATOM 103 C CD2 . PHE A 1 12 ? 3.319 -6.981 -1.078 1.00 81.91 12 A 1 ATOM 104 C CE1 . PHE A 1 12 ? 4.389 -6.847 -3.644 1.00 78.40 12 A 1 ATOM 105 C CE2 . PHE A 1 12 ? 3.986 -8.080 -1.615 1.00 79.38 12 A 1 ATOM 106 C CZ . PHE A 1 12 ? 4.519 -8.011 -2.895 1.00 79.39 12 A 1 ATOM 107 N N . PHE A 1 13 ? 3.724 -1.819 -1.838 1.00 92.80 13 A 1 ATOM 108 C CA . PHE A 1 13 ? 4.454 -0.903 -2.709 1.00 91.88 13 A 1 ATOM 109 C C . PHE A 1 13 ? 5.563 -0.198 -1.939 1.00 92.32 13 A 1 ATOM 110 O O . PHE A 1 13 ? 6.653 0.012 -2.466 1.00 90.34 13 A 1 ATOM 111 C CB . PHE A 1 13 ? 3.485 0.115 -3.307 1.00 90.85 13 A 1 ATOM 112 C CG . PHE A 1 13 ? 3.777 0.403 -4.757 1.00 84.14 13 A 1 ATOM 113 C CD1 . PHE A 1 13 ? 4.725 1.354 -5.116 1.00 79.58 13 A 1 ATOM 114 C CD2 . PHE A 1 13 ? 3.103 -0.290 -5.754 1.00 79.89 13 A 1 ATOM 115 C CE1 . PHE A 1 13 ? 4.996 1.617 -6.452 1.00 76.08 13 A 1 ATOM 116 C CE2 . PHE A 1 13 ? 3.369 -0.030 -7.097 1.00 76.47 13 A 1 ATOM 117 C CZ . PHE A 1 13 ? 4.315 0.923 -7.443 1.00 76.99 13 A 1 ATOM 118 N N . SER A 1 14 ? 5.301 0.147 -0.697 1.00 93.02 14 A 1 ATOM 119 C CA . SER A 1 14 ? 6.294 0.802 0.154 1.00 92.51 14 A 1 ATOM 120 C C . SER A 1 14 ? 7.515 -0.097 0.355 1.00 92.48 14 A 1 ATOM 121 O O . SER A 1 14 ? 8.635 0.394 0.495 1.00 90.35 14 A 1 ATOM 122 C CB . SER A 1 14 ? 5.670 1.152 1.502 1.00 91.15 14 A 1 ATOM 123 O OG . SER A 1 14 ? 6.537 2.006 2.216 1.00 81.42 14 A 1 ATOM 124 N N . LYS A 1 15 ? 7.288 -1.401 0.351 1.00 91.89 15 A 1 ATOM 125 C CA . LYS A 1 15 ? 8.375 -2.373 0.517 1.00 91.18 15 A 1 ATOM 126 C C . LYS A 1 15 ? 9.076 -2.684 -0.802 1.00 90.26 15 A 1 ATOM 127 O O . LYS A 1 15 ? 10.216 -3.156 -0.787 1.00 87.57 15 A 1 ATOM 128 C CB . LYS A 1 15 ? 7.810 -3.657 1.127 1.00 90.28 15 A 1 ATOM 129 C CG . LYS A 1 15 ? 7.684 -3.569 2.638 1.00 81.58 15 A 1 ATOM 130 C CD . LYS A 1 15 ? 8.999 -3.932 3.311 1.00 77.80 15 A 1 ATOM 131 C CE . LYS A 1 15 ? 8.827 -4.188 4.804 1.00 73.01 15 A 1 ATOM 132 N NZ . LYS A 1 15 ? 10.096 -4.629 5.406 1.00 63.83 15 A 1 ATOM 133 N N . THR A 1 16 ? 8.409 -2.434 -1.908 1.00 90.84 16 A 1 ATOM 134 C CA . THR A 1 16 ? 8.965 -2.740 -3.229 1.00 89.27 16 A 1 ATOM 135 C C . THR A 1 16 ? 9.424 -1.496 -3.984 1.00 88.05 16 A 1 ATOM 136 O O . THR A 1 16 ? 10.101 -1.618 -5.004 1.00 84.42 16 A 1 ATOM 137 C CB . THR A 1 16 ? 7.927 -3.497 -4.071 1.00 87.00 16 A 1 ATOM 138 O OG1 . THR A 1 16 ? 6.711 -2.776 -4.091 1.00 77.13 16 A 1 ATOM 139 C CG2 . THR A 1 16 ? 7.688 -4.890 -3.523 1.00 74.56 16 A 1 ATOM 140 N N . SER A 1 17 ? 9.083 -0.336 -3.487 1.00 86.52 17 A 1 ATOM 141 C CA . SER A 1 17 ? 9.428 0.922 -4.153 1.00 84.22 17 A 1 ATOM 142 C C . SER A 1 17 ? 10.425 1.729 -3.330 1.00 82.68 17 A 1 ATOM 143 O O . SER A 1 17 ? 11.592 1.822 -3.685 1.00 79.35 17 A 1 ATOM 144 C CB . SER A 1 17 ? 8.161 1.733 -4.422 1.00 81.44 17 A 1 ATOM 145 O OG . SER A 1 17 ? 8.375 2.643 -5.479 1.00 72.53 17 A 1 ATOM 146 N N . TYR A 1 18 ? 9.953 2.294 -2.230 1.00 82.18 18 A 1 ATOM 147 C CA . TYR A 1 18 ? 10.744 3.124 -1.307 1.00 80.68 18 A 1 ATOM 148 C C . TYR A 1 18 ? 11.984 3.723 -1.972 1.00 79.75 18 A 1 ATOM 149 O O . TYR A 1 18 ? 13.082 3.175 -1.892 1.00 75.93 18 A 1 ATOM 150 C CB . TYR A 1 18 ? 11.141 2.308 -0.070 1.00 79.85 18 A 1 ATOM 151 C CG . TYR A 1 18 ? 10.945 3.099 1.211 1.00 73.83 18 A 1 ATOM 152 C CD1 . TYR A 1 18 ? 11.879 4.046 1.610 1.00 71.57 18 A 1 ATOM 153 C CD2 . TYR A 1 18 ? 9.829 2.881 2.005 1.00 71.39 18 A 1 ATOM 154 C CE1 . TYR A 1 18 ? 11.700 4.770 2.781 1.00 66.72 18 A 1 ATOM 155 C CE2 . TYR A 1 18 ? 9.643 3.606 3.185 1.00 70.49 18 A 1 ATOM 156 C CZ . TYR A 1 18 ? 10.583 4.541 3.569 1.00 69.76 18 A 1 ATOM 157 O OH . TYR A 1 18 ? 10.401 5.247 4.736 1.00 67.87 18 A 1 ATOM 158 N N . SER A 1 19 ? 11.780 4.861 -2.605 1.00 78.99 19 A 1 ATOM 159 C CA . SER A 1 19 ? 12.877 5.557 -3.270 1.00 76.28 19 A 1 ATOM 160 C C . SER A 1 19 ? 13.024 6.987 -2.746 1.00 71.73 19 A 1 ATOM 161 O O . SER A 1 19 ? 12.138 7.436 -1.992 1.00 65.84 19 A 1 ATOM 162 C CB . SER A 1 19 ? 12.641 5.580 -4.774 1.00 70.48 19 A 1 ATOM 163 O OG . SER A 1 19 ? 12.982 4.357 -5.363 1.00 63.73 19 A 1 ATOM 164 O OXT . SER A 1 19 ? 14.014 7.662 -3.088 1.00 63.43 19 A 1 #