# 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_spkb09805 # _entry.id spkb09805 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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" "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 PHE 3 1 n SER 4 1 n LEU 5 1 n ALA 6 1 n VAL 7 1 n SER 8 1 n PHE 9 1 n PHE 10 1 n ILE 11 1 n LEU 12 1 n MET 13 1 n SER 14 1 n LEU 15 1 n LEU 16 1 n PHE 17 1 n GLU 18 1 n ASP 19 1 n ALA 20 1 n CYS 21 1 n SER 22 # _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 09:18:58)" _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 89.72 _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 83.81 1 1 A LYS 2 2 85.00 1 2 A PHE 3 2 88.66 1 3 A SER 4 2 91.53 1 4 A LEU 5 2 91.52 1 5 A ALA 6 2 96.67 1 6 A VAL 7 2 95.45 1 7 A SER 8 2 94.01 1 8 A PHE 9 2 91.69 1 9 A PHE 10 2 91.83 1 10 A ILE 11 2 94.61 1 11 A LEU 12 2 91.56 1 12 A MET 13 2 88.88 1 13 A SER 14 2 93.24 1 14 A LEU 15 2 91.58 1 15 A LEU 16 2 91.45 1 16 A PHE 17 2 87.58 1 17 A GLU 18 2 84.66 1 18 A ASP 19 2 87.53 1 19 A ALA 20 2 94.14 1 20 A CYS 21 2 86.23 1 21 A SER 22 2 78.22 1 22 # _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 PHE . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n ASP . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n SER . 22 A 22 # _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 ? 1.858 8.701 14.646 1.00 90.57 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.346 7.810 13.570 1.00 92.16 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.222 7.239 12.691 1.00 93.15 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.451 6.307 11.938 1.00 89.48 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.210 6.682 14.153 1.00 87.02 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.438 7.198 14.905 1.00 79.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.470 5.842 15.497 1.00 73.91 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.916 6.433 17.115 1.00 64.98 1 A 1 ATOM 9 N N . LYS A 1 2 ? 0.015 7.790 12.797 1.00 92.09 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -1.145 7.285 12.035 1.00 93.15 2 A 1 ATOM 11 C C . LYS A 1 2 ? -1.024 7.565 10.531 1.00 92.65 2 A 1 ATOM 12 O O . LYS A 1 2 ? -1.467 6.760 9.719 1.00 91.54 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -2.443 7.893 12.604 1.00 90.77 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -2.704 7.476 14.062 1.00 84.05 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -3.982 8.122 14.603 1.00 80.53 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -4.218 7.709 16.057 1.00 74.29 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -5.407 8.378 16.647 1.00 65.92 2 A 1 ATOM 18 N N . PHE A 1 3 ? -0.371 8.674 10.165 1.00 92.95 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -0.157 9.048 8.767 1.00 94.20 3 A 1 ATOM 20 C C . PHE A 1 3 ? 0.760 8.055 8.042 1.00 95.21 3 A 1 ATOM 21 O O . PHE A 1 3 ? 0.451 7.646 6.928 1.00 93.63 3 A 1 ATOM 22 C CB . PHE A 1 3 ? 0.406 10.472 8.720 1.00 92.73 3 A 1 ATOM 23 C CG . PHE A 1 3 ? 0.556 10.992 7.308 1.00 88.39 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? 1.814 11.005 6.682 1.00 85.72 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -0.570 11.436 6.608 1.00 85.00 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? 1.947 11.467 5.366 1.00 83.31 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -0.447 11.896 5.286 1.00 83.26 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? 0.813 11.912 4.669 1.00 80.90 3 A 1 ATOM 29 N N . SER A 1 4 ? 1.827 7.599 8.698 1.00 93.85 4 A 1 ATOM 30 C CA . SER A 1 4 ? 2.745 6.613 8.115 1.00 94.13 4 A 1 ATOM 31 C C . SER A 1 4 ? 2.043 5.290 7.798 1.00 94.79 4 A 1 ATOM 32 O O . SER A 1 4 ? 2.334 4.680 6.773 1.00 93.35 4 A 1 ATOM 33 C CB . SER A 1 4 ? 3.915 6.347 9.064 1.00 91.95 4 A 1 ATOM 34 O OG . SER A 1 4 ? 4.516 7.567 9.467 1.00 81.12 4 A 1 ATOM 35 N N . LEU A 1 5 ? 1.084 4.876 8.623 1.00 94.09 5 A 1 ATOM 36 C CA . LEU A 1 5 ? 0.276 3.686 8.369 1.00 94.57 5 A 1 ATOM 37 C C . LEU A 1 5 ? -0.584 3.855 7.114 1.00 95.33 5 A 1 ATOM 38 O O . LEU A 1 5 ? -0.656 2.944 6.294 1.00 94.68 5 A 1 ATOM 39 C CB . LEU A 1 5 ? -0.603 3.413 9.599 1.00 94.07 5 A 1 ATOM 40 C CG . LEU A 1 5 ? -1.310 2.050 9.522 1.00 89.01 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? -0.359 0.918 9.917 1.00 84.64 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? -2.504 2.037 10.481 1.00 85.74 5 A 1 ATOM 43 N N . ALA A 1 6 ? -1.206 5.021 6.947 1.00 96.50 6 A 1 ATOM 44 C CA . ALA A 1 6 ? -2.016 5.325 5.770 1.00 96.92 6 A 1 ATOM 45 C C . ALA A 1 6 ? -1.171 5.346 4.487 1.00 97.16 6 A 1 ATOM 46 O O . ALA A 1 6 ? -1.588 4.783 3.479 1.00 96.30 6 A 1 ATOM 47 C CB . ALA A 1 6 ? -2.734 6.661 5.998 1.00 96.48 6 A 1 ATOM 48 N N . VAL A 1 7 ? 0.025 5.919 4.537 1.00 96.90 7 A 1 ATOM 49 C CA . VAL A 1 7 ? 0.963 5.924 3.405 1.00 96.87 7 A 1 ATOM 50 C C . VAL A 1 7 ? 1.417 4.504 3.069 1.00 97.11 7 A 1 ATOM 51 O O . VAL A 1 7 ? 1.374 4.111 1.907 1.00 96.37 7 A 1 ATOM 52 C CB . VAL A 1 7 ? 2.170 6.836 3.696 1.00 96.02 7 A 1 ATOM 53 C CG1 . VAL A 1 7 ? 3.239 6.760 2.602 1.00 92.23 7 A 1 ATOM 54 C CG2 . VAL A 1 7 ? 1.725 8.295 3.797 1.00 92.63 7 A 1 ATOM 55 N N . SER A 1 8 ? 1.785 3.713 4.066 1.00 96.01 8 A 1 ATOM 56 C CA . SER A 1 8 ? 2.184 2.319 3.859 1.00 96.11 8 A 1 ATOM 57 C C . SER A 1 8 ? 1.046 1.493 3.262 1.00 96.52 8 A 1 ATOM 58 O O . SER A 1 8 ? 1.270 0.723 2.338 1.00 95.64 8 A 1 ATOM 59 C CB . SER A 1 8 ? 2.633 1.681 5.174 1.00 95.01 8 A 1 ATOM 60 O OG . SER A 1 8 ? 3.754 2.360 5.708 1.00 84.77 8 A 1 ATOM 61 N N . PHE A 1 9 ? -0.178 1.689 3.738 1.00 94.66 9 A 1 ATOM 62 C CA . PHE A 1 9 ? -1.364 1.032 3.199 1.00 94.91 9 A 1 ATOM 63 C C . PHE A 1 9 ? -1.617 1.433 1.744 1.00 95.57 9 A 1 ATOM 64 O O . PHE A 1 9 ? -1.881 0.570 0.912 1.00 95.28 9 A 1 ATOM 65 C CB . PHE A 1 9 ? -2.564 1.374 4.081 1.00 94.63 9 A 1 ATOM 66 C CG . PHE A 1 9 ? -3.833 0.686 3.637 1.00 92.18 9 A 1 ATOM 67 C CD1 . PHE A 1 9 ? -4.763 1.365 2.833 1.00 88.49 9 A 1 ATOM 68 C CD2 . PHE A 1 9 ? -4.070 -0.641 4.018 1.00 89.78 9 A 1 ATOM 69 C CE1 . PHE A 1 9 ? -5.940 0.723 2.424 1.00 87.82 9 A 1 ATOM 70 C CE2 . PHE A 1 9 ? -5.247 -1.285 3.612 1.00 87.32 9 A 1 ATOM 71 C CZ . PHE A 1 9 ? -6.183 -0.604 2.819 1.00 88.00 9 A 1 ATOM 72 N N . PHE A 1 10 ? -1.479 2.720 1.422 1.00 94.85 10 A 1 ATOM 73 C CA . PHE A 1 10 ? -1.639 3.220 0.059 1.00 95.23 10 A 1 ATOM 74 C C . PHE A 1 10 ? -0.617 2.601 -0.902 1.00 95.79 10 A 1 ATOM 75 O O . PHE A 1 10 ? -0.992 2.146 -1.981 1.00 95.20 10 A 1 ATOM 76 C CB . PHE A 1 10 ? -1.538 4.749 0.076 1.00 95.22 10 A 1 ATOM 77 C CG . PHE A 1 10 ? -1.775 5.361 -1.284 1.00 92.51 10 A 1 ATOM 78 C CD1 . PHE A 1 10 ? -0.689 5.712 -2.106 1.00 88.62 10 A 1 ATOM 79 C CD2 . PHE A 1 10 ? -3.087 5.538 -1.744 1.00 89.62 10 A 1 ATOM 80 C CE1 . PHE A 1 10 ? -0.913 6.243 -3.386 1.00 87.12 10 A 1 ATOM 81 C CE2 . PHE A 1 10 ? -3.312 6.065 -3.026 1.00 87.45 10 A 1 ATOM 82 C CZ . PHE A 1 10 ? -2.227 6.416 -3.844 1.00 88.52 10 A 1 ATOM 83 N N . ILE A 1 11 ? 0.649 2.530 -0.499 1.00 96.39 11 A 1 ATOM 84 C CA . ILE A 1 11 ? 1.711 1.897 -1.293 1.00 96.36 11 A 1 ATOM 85 C C . ILE A 1 11 ? 1.408 0.408 -1.492 1.00 96.39 11 A 1 ATOM 86 O O . ILE A 1 11 ? 1.487 -0.094 -2.609 1.00 95.93 11 A 1 ATOM 87 C CB . ILE A 1 11 ? 3.085 2.119 -0.623 1.00 96.47 11 A 1 ATOM 88 C CG1 . ILE A 1 11 ? 3.471 3.616 -0.668 1.00 94.52 11 A 1 ATOM 89 C CG2 . ILE A 1 11 ? 4.180 1.280 -1.310 1.00 93.31 11 A 1 ATOM 90 C CD1 . ILE A 1 11 ? 4.642 3.975 0.250 1.00 87.51 11 A 1 ATOM 91 N N . LEU A 1 12 ? 1.016 -0.280 -0.427 1.00 95.42 12 A 1 ATOM 92 C CA . LEU A 1 12 ? 0.687 -1.703 -0.475 1.00 95.19 12 A 1 ATOM 93 C C . LEU A 1 12 ? -0.491 -1.975 -1.416 1.00 95.10 12 A 1 ATOM 94 O O . LEU A 1 12 ? -0.440 -2.899 -2.224 1.00 95.15 12 A 1 ATOM 95 C CB . LEU A 1 12 ? 0.419 -2.178 0.968 1.00 95.23 12 A 1 ATOM 96 C CG . LEU A 1 12 ? 1.078 -3.523 1.311 1.00 88.49 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? 1.073 -3.722 2.825 1.00 83.17 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? 0.371 -4.699 0.663 1.00 84.70 12 A 1 ATOM 99 N N . MET A 1 13 ? -1.525 -1.142 -1.354 1.00 95.06 13 A 1 ATOM 100 C CA . MET A 1 13 ? -2.670 -1.239 -2.258 1.00 94.61 13 A 1 ATOM 101 C C . MET A 1 13 ? -2.275 -0.961 -3.708 1.00 94.79 13 A 1 ATOM 102 O O . MET A 1 13 ? -2.737 -1.663 -4.595 1.00 94.28 13 A 1 ATOM 103 C CB . MET A 1 13 ? -3.773 -0.269 -1.812 1.00 94.05 13 A 1 ATOM 104 C CG . MET A 1 13 ? -4.481 -0.787 -0.558 1.00 89.24 13 A 1 ATOM 105 S SD . MET A 1 13 ? -5.568 -2.196 -0.878 1.00 80.10 13 A 1 ATOM 106 C CE . MET A 1 13 ? -5.372 -3.114 0.646 1.00 68.92 13 A 1 ATOM 107 N N . SER A 1 14 ? -1.397 0.005 -3.950 1.00 95.19 14 A 1 ATOM 108 C CA . SER A 1 14 ? -0.908 0.306 -5.298 1.00 95.26 14 A 1 ATOM 109 C C . SER A 1 14 ? -0.117 -0.870 -5.879 1.00 95.45 14 A 1 ATOM 110 O O . SER A 1 14 ? -0.360 -1.254 -7.017 1.00 93.86 14 A 1 ATOM 111 C CB . SER A 1 14 ? -0.046 1.572 -5.294 1.00 94.66 14 A 1 ATOM 112 O OG . SER A 1 14 ? -0.785 2.685 -4.822 1.00 85.00 14 A 1 ATOM 113 N N . LEU A 1 15 ? 0.754 -1.492 -5.092 1.00 95.45 15 A 1 ATOM 114 C CA . LEU A 1 15 ? 1.525 -2.665 -5.512 1.00 95.00 15 A 1 ATOM 115 C C . LEU A 1 15 ? 0.625 -3.872 -5.786 1.00 95.34 15 A 1 ATOM 116 O O . LEU A 1 15 ? 0.778 -4.531 -6.808 1.00 94.68 15 A 1 ATOM 117 C CB . LEU A 1 15 ? 2.554 -3.011 -4.420 1.00 95.13 15 A 1 ATOM 118 C CG . LEU A 1 15 ? 3.719 -2.019 -4.319 1.00 89.25 15 A 1 ATOM 119 C CD1 . LEU A 1 15 ? 4.537 -2.318 -3.061 1.00 83.46 15 A 1 ATOM 120 C CD2 . LEU A 1 15 ? 4.651 -2.109 -5.525 1.00 84.35 15 A 1 ATOM 121 N N . LEU A 1 16 ? -0.339 -4.138 -4.909 1.00 95.74 16 A 1 ATOM 122 C CA . LEU A 1 16 ? -1.298 -5.227 -5.107 1.00 95.39 16 A 1 ATOM 123 C C . LEU A 1 16 ? -2.176 -4.989 -6.335 1.00 95.37 16 A 1 ATOM 124 O O . LEU A 1 16 ? -2.494 -5.931 -7.055 1.00 95.14 16 A 1 ATOM 125 C CB . LEU A 1 16 ? -2.184 -5.369 -3.860 1.00 95.12 16 A 1 ATOM 126 C CG . LEU A 1 16 ? -1.487 -6.014 -2.654 1.00 89.13 16 A 1 ATOM 127 C CD1 . LEU A 1 16 ? -2.421 -5.949 -1.444 1.00 81.96 16 A 1 ATOM 128 C CD2 . LEU A 1 16 ? -1.147 -7.484 -2.903 1.00 83.76 16 A 1 ATOM 129 N N . PHE A 1 17 ? -2.569 -3.744 -6.572 1.00 95.05 17 A 1 ATOM 130 C CA . PHE A 1 17 ? -3.363 -3.388 -7.737 1.00 94.50 17 A 1 ATOM 131 C C . PHE A 1 17 ? -2.557 -3.558 -9.026 1.00 94.94 17 A 1 ATOM 132 O O . PHE A 1 17 ? -3.076 -4.113 -9.988 1.00 94.30 17 A 1 ATOM 133 C CB . PHE A 1 17 ? -3.885 -1.960 -7.580 1.00 93.46 17 A 1 ATOM 134 C CG . PHE A 1 17 ? -4.771 -1.536 -8.728 1.00 88.32 17 A 1 ATOM 135 C CD1 . PHE A 1 17 ? -4.247 -0.774 -9.784 1.00 81.87 17 A 1 ATOM 136 C CD2 . PHE A 1 17 ? -6.108 -1.953 -8.766 1.00 81.85 17 A 1 ATOM 137 C CE1 . PHE A 1 17 ? -5.054 -0.421 -10.873 1.00 79.17 17 A 1 ATOM 138 C CE2 . PHE A 1 17 ? -6.922 -1.607 -9.857 1.00 80.78 17 A 1 ATOM 139 C CZ . PHE A 1 17 ? -6.393 -0.840 -10.909 1.00 79.18 17 A 1 ATOM 140 N N . GLU A 1 18 ? -1.298 -3.137 -9.033 1.00 94.28 18 A 1 ATOM 141 C CA . GLU A 1 18 ? -0.415 -3.294 -10.184 1.00 94.63 18 A 1 ATOM 142 C C . GLU A 1 18 ? -0.138 -4.772 -10.482 1.00 94.69 18 A 1 ATOM 143 O O . GLU A 1 18 ? -0.250 -5.195 -11.632 1.00 92.39 18 A 1 ATOM 144 C CB . GLU A 1 18 ? 0.873 -2.502 -9.926 1.00 92.27 18 A 1 ATOM 145 C CG . GLU A 1 18 ? 1.713 -2.340 -11.188 1.00 80.76 18 A 1 ATOM 146 C CD . GLU A 1 18 ? 2.949 -1.455 -10.975 1.00 75.32 18 A 1 ATOM 147 O OE1 . GLU A 1 18 ? 3.899 -1.566 -11.785 1.00 68.00 18 A 1 ATOM 148 O OE2 . GLU A 1 18 ? 2.963 -0.647 -10.023 1.00 69.58 18 A 1 ATOM 149 N N . ASP A 1 19 ? 0.117 -5.574 -9.445 1.00 93.69 19 A 1 ATOM 150 C CA . ASP A 1 19 ? 0.311 -7.025 -9.570 1.00 94.71 19 A 1 ATOM 151 C C . ASP A 1 19 ? -0.959 -7.728 -10.066 1.00 95.28 19 A 1 ATOM 152 O O . ASP A 1 19 ? -0.901 -8.574 -10.957 1.00 93.18 19 A 1 ATOM 153 C CB . ASP A 1 19 ? 0.754 -7.572 -8.207 1.00 93.13 19 A 1 ATOM 154 C CG . ASP A 1 19 ? 1.172 -9.033 -8.270 1.00 81.79 19 A 1 ATOM 155 O OD1 . ASP A 1 19 ? 0.396 -9.882 -7.789 1.00 72.57 19 A 1 ATOM 156 O OD2 . ASP A 1 19 ? 2.294 -9.287 -8.752 1.00 75.91 19 A 1 ATOM 157 N N . ALA A 1 20 ? -2.129 -7.344 -9.549 1.00 94.99 20 A 1 ATOM 158 C CA . ALA A 1 20 ? -3.409 -7.926 -9.956 1.00 94.99 20 A 1 ATOM 159 C C . ALA A 1 20 ? -3.888 -7.455 -11.343 1.00 94.21 20 A 1 ATOM 160 O O . ALA A 1 20 ? -4.696 -8.142 -11.971 1.00 92.40 20 A 1 ATOM 161 C CB . ALA A 1 20 ? -4.458 -7.607 -8.882 1.00 94.13 20 A 1 ATOM 162 N N . CYS A 1 21 ? -3.441 -6.292 -11.794 1.00 90.61 21 A 1 ATOM 163 C CA . CYS A 1 21 ? -3.803 -5.723 -13.095 1.00 89.99 21 A 1 ATOM 164 C C . CYS A 1 21 ? -2.800 -6.103 -14.202 1.00 88.09 21 A 1 ATOM 165 O O . CYS A 1 21 ? -3.075 -5.852 -15.378 1.00 86.39 21 A 1 ATOM 166 C CB . CYS A 1 21 ? -3.952 -4.199 -12.937 1.00 86.57 21 A 1 ATOM 167 S SG . CYS A 1 21 ? -4.816 -3.463 -14.351 1.00 75.70 21 A 1 ATOM 168 N N . SER A 1 22 ? -1.664 -6.669 -13.839 1.00 86.96 22 A 1 ATOM 169 C CA . SER A 1 22 ? -0.662 -7.163 -14.778 1.00 85.88 22 A 1 ATOM 170 C C . SER A 1 22 ? -1.066 -8.478 -15.440 1.00 79.73 22 A 1 ATOM 171 O O . SER A 1 22 ? -1.799 -9.271 -14.811 1.00 73.89 22 A 1 ATOM 172 C CB . SER A 1 22 ? 0.691 -7.287 -14.089 1.00 80.46 22 A 1 ATOM 173 O OG . SER A 1 22 ? 1.697 -7.514 -15.073 1.00 71.06 22 A 1 ATOM 174 O OXT . SER A 1 22 ? -0.633 -8.701 -16.590 1.00 69.58 22 A 1 #