# 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_spkb16963 # _entry.id spkb16963 # 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 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 ILE 2 1 n GLU 3 1 n VAL 4 1 n LEU 5 1 n LEU 6 1 n VAL 7 1 n THR 8 1 n ILE 9 1 n CYS 10 1 n PHE 11 1 n THR 12 1 n VAL 13 1 n PHE 14 1 n PRO 15 1 n TYR 16 1 n GLN 17 1 n GLY 18 1 n SER 19 1 n PRO 20 # _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 19:07:23)" _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 85.82 _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 82.32 1 1 A ILE 2 2 88.64 1 2 A GLU 3 2 84.10 1 3 A VAL 4 2 93.29 1 4 A LEU 5 2 91.79 1 5 A LEU 6 2 91.02 1 6 A VAL 7 2 92.96 1 7 A THR 8 2 90.63 1 8 A ILE 9 2 92.30 1 9 A CYS 10 2 91.06 1 10 A PHE 11 2 88.10 1 11 A THR 12 2 90.00 1 12 A VAL 13 2 91.15 1 13 A PHE 14 2 86.26 1 14 A PRO 15 2 89.60 1 15 A TYR 16 2 77.84 1 16 A GLN 17 2 76.09 1 17 A GLY 18 2 77.29 1 18 A SER 19 2 73.30 1 19 A PRO 20 2 71.14 1 20 # _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 ILE . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n GLN . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n PRO . 20 A 20 # _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 ? -12.776 -1.359 11.277 1.00 87.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.349 -0.215 10.545 1.00 91.34 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.255 0.576 9.836 1.00 91.09 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.258 0.696 8.616 1.00 88.59 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.104 0.709 11.510 1.00 85.13 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.262 0.016 12.206 1.00 76.48 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.078 1.089 13.387 1.00 72.62 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.364 -0.008 13.965 1.00 65.39 1 A 1 ATOM 9 N N . ILE A 1 2 ? -11.331 1.132 10.628 1.00 91.28 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -10.235 1.927 10.078 1.00 93.29 2 A 1 ATOM 11 C C . ILE A 1 2 ? -8.981 1.086 9.845 1.00 94.27 2 A 1 ATOM 12 O O . ILE A 1 2 ? -8.087 1.477 9.093 1.00 93.44 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -9.914 3.110 11.018 1.00 91.40 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -8.968 4.101 10.339 1.00 85.47 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -9.307 2.605 12.330 1.00 82.70 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -9.601 4.821 9.167 1.00 77.26 2 A 1 ATOM 17 N N . GLU A 1 3 ? -8.912 -0.064 10.480 1.00 90.18 3 A 1 ATOM 18 C CA . GLU A 1 3 ? -7.745 -0.942 10.368 1.00 91.49 3 A 1 ATOM 19 C C . GLU A 1 3 ? -7.513 -1.358 8.920 1.00 92.53 3 A 1 ATOM 20 O O . GLU A 1 3 ? -6.383 -1.366 8.435 1.00 92.13 3 A 1 ATOM 21 C CB . GLU A 1 3 ? -7.932 -2.193 11.232 1.00 89.77 3 A 1 ATOM 22 C CG . GLU A 1 3 ? -8.047 -1.885 12.719 1.00 80.34 3 A 1 ATOM 23 C CD . GLU A 1 3 ? -9.446 -1.428 13.088 1.00 77.81 3 A 1 ATOM 24 O OE1 . GLU A 1 3 ? -10.364 -1.637 12.279 1.00 69.47 3 A 1 ATOM 25 O OE2 . GLU A 1 3 ? -9.615 -0.861 14.171 1.00 73.22 3 A 1 ATOM 26 N N . VAL A 1 4 ? -8.578 -1.690 8.224 1.00 95.38 4 A 1 ATOM 27 C CA . VAL A 1 4 ? -8.485 -2.105 6.824 1.00 95.52 4 A 1 ATOM 28 C C . VAL A 1 4 ? -7.961 -0.964 5.957 1.00 95.80 4 A 1 ATOM 29 O O . VAL A 1 4 ? -7.220 -1.188 4.996 1.00 94.75 4 A 1 ATOM 30 C CB . VAL A 1 4 ? -9.853 -2.575 6.301 1.00 94.12 4 A 1 ATOM 31 C CG1 . VAL A 1 4 ? -9.753 -3.011 4.844 1.00 88.47 4 A 1 ATOM 32 C CG2 . VAL A 1 4 ? -10.391 -3.710 7.157 1.00 88.97 4 A 1 ATOM 33 N N . LEU A 1 5 ? -8.339 0.256 6.296 1.00 94.77 5 A 1 ATOM 34 C CA . LEU A 1 5 ? -7.900 1.426 5.539 1.00 94.72 5 A 1 ATOM 35 C C . LEU A 1 5 ? -6.387 1.599 5.633 1.00 95.16 5 A 1 ATOM 36 O O . LEU A 1 5 ? -5.725 1.879 4.634 1.00 94.56 5 A 1 ATOM 37 C CB . LEU A 1 5 ? -8.604 2.680 6.058 1.00 94.30 5 A 1 ATOM 38 C CG . LEU A 1 5 ? -8.249 3.955 5.299 1.00 89.96 5 A 1 ATOM 39 C CD1 . LEU A 1 5 ? -8.677 3.854 3.841 1.00 85.73 5 A 1 ATOM 40 C CD2 . LEU A 1 5 ? -8.917 5.158 5.952 1.00 85.13 5 A 1 ATOM 41 N N . LEU A 1 6 ? -5.839 1.428 6.828 1.00 94.06 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -4.399 1.567 7.040 1.00 94.26 6 A 1 ATOM 43 C C . LEU A 1 6 ? -3.629 0.552 6.206 1.00 94.76 6 A 1 ATOM 44 O O . LEU A 1 6 ? -2.640 0.888 5.549 1.00 94.30 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -4.074 1.411 8.529 1.00 93.14 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -2.617 1.697 8.887 1.00 87.55 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -2.528 2.324 10.272 1.00 85.23 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -1.792 0.418 8.858 1.00 84.88 6 A 1 ATOM 49 N N . VAL A 1 7 ? -4.086 -0.692 6.218 1.00 94.44 7 A 1 ATOM 50 C CA . VAL A 1 7 ? -3.439 -1.752 5.443 1.00 94.23 7 A 1 ATOM 51 C C . VAL A 1 7 ? -3.533 -1.454 3.952 1.00 94.48 7 A 1 ATOM 52 O O . VAL A 1 7 ? -2.573 -1.650 3.204 1.00 93.66 7 A 1 ATOM 53 C CB . VAL A 1 7 ? -4.078 -3.116 5.745 1.00 93.19 7 A 1 ATOM 54 C CG1 . VAL A 1 7 ? -3.448 -4.206 4.889 1.00 90.11 7 A 1 ATOM 55 C CG2 . VAL A 1 7 ? -3.928 -3.455 7.220 1.00 90.59 7 A 1 ATOM 56 N N . THR A 1 8 ? -4.683 -0.975 3.526 1.00 92.51 8 A 1 ATOM 57 C CA . THR A 1 8 ? -4.902 -0.658 2.118 1.00 92.48 8 A 1 ATOM 58 C C . THR A 1 8 ? -3.969 0.460 1.662 1.00 92.89 8 A 1 ATOM 59 O O . THR A 1 8 ? -3.399 0.396 0.572 1.00 91.72 8 A 1 ATOM 60 C CB . THR A 1 8 ? -6.356 -0.237 1.880 1.00 91.70 8 A 1 ATOM 61 O OG1 . THR A 1 8 ? -7.231 -1.279 2.299 1.00 86.90 8 A 1 ATOM 62 C CG2 . THR A 1 8 ? -6.608 0.051 0.407 1.00 86.20 8 A 1 ATOM 63 N N . ILE A 1 9 ? -3.805 1.479 2.490 1.00 93.88 9 A 1 ATOM 64 C CA . ILE A 1 9 ? -2.933 2.601 2.163 1.00 93.52 9 A 1 ATOM 65 C C . ILE A 1 9 ? -1.490 2.131 2.014 1.00 93.98 9 A 1 ATOM 66 O O . ILE A 1 9 ? -0.816 2.458 1.039 1.00 92.99 9 A 1 ATOM 67 C CB . ILE A 1 9 ? -3.026 3.699 3.239 1.00 93.26 9 A 1 ATOM 68 C CG1 . ILE A 1 9 ? -4.423 4.330 3.234 1.00 91.59 9 A 1 ATOM 69 C CG2 . ILE A 1 9 ? -1.967 4.774 2.994 1.00 91.06 9 A 1 ATOM 70 C CD1 . ILE A 1 9 ? -4.685 5.218 4.435 1.00 88.12 9 A 1 ATOM 71 N N . CYS A 1 10 ? -1.016 1.353 2.976 1.00 92.12 10 A 1 ATOM 72 C CA . CYS A 1 10 ? 0.356 0.852 2.945 1.00 92.03 10 A 1 ATOM 73 C C . CYS A 1 10 ? 0.607 0.002 1.704 1.00 91.76 10 A 1 ATOM 74 O O . CYS A 1 10 ? 1.635 0.132 1.047 1.00 90.30 10 A 1 ATOM 75 C CB . CYS A 1 10 ? 0.637 0.029 4.202 1.00 91.09 10 A 1 ATOM 76 S SG . CYS A 1 10 ? 0.649 1.040 5.692 1.00 89.05 10 A 1 ATOM 77 N N . PHE A 1 11 ? -0.343 -0.872 1.387 1.00 91.58 11 A 1 ATOM 78 C CA . PHE A 1 11 ? -0.204 -1.752 0.232 1.00 91.20 11 A 1 ATOM 79 C C . PHE A 1 11 ? -0.326 -0.976 -1.076 1.00 91.77 11 A 1 ATOM 80 O O . PHE A 1 11 ? 0.266 -1.352 -2.086 1.00 90.24 11 A 1 ATOM 81 C CB . PHE A 1 11 ? -1.260 -2.855 0.295 1.00 90.36 11 A 1 ATOM 82 C CG . PHE A 1 11 ? -0.919 -4.032 -0.574 1.00 88.88 11 A 1 ATOM 83 C CD1 . PHE A 1 11 ? 0.200 -4.798 -0.307 1.00 85.42 11 A 1 ATOM 84 C CD2 . PHE A 1 11 ? -1.723 -4.360 -1.656 1.00 85.58 11 A 1 ATOM 85 C CE1 . PHE A 1 11 ? 0.520 -5.883 -1.104 1.00 84.80 11 A 1 ATOM 86 C CE2 . PHE A 1 11 ? -1.403 -5.449 -2.461 1.00 84.36 11 A 1 ATOM 87 C CZ . PHE A 1 11 ? -0.283 -6.208 -2.184 1.00 84.88 11 A 1 ATOM 88 N N . THR A 1 12 ? -1.090 0.108 -1.059 1.00 92.67 12 A 1 ATOM 89 C CA . THR A 1 12 ? -1.264 0.935 -2.252 1.00 92.66 12 A 1 ATOM 90 C C . THR A 1 12 ? -0.017 1.768 -2.527 1.00 92.80 12 A 1 ATOM 91 O O . THR A 1 12 ? 0.395 1.924 -3.676 1.00 90.68 12 A 1 ATOM 92 C CB . THR A 1 12 ? -2.472 1.866 -2.096 1.00 91.59 12 A 1 ATOM 93 O OG1 . THR A 1 12 ? -3.643 1.093 -1.864 1.00 85.25 12 A 1 ATOM 94 C CG2 . THR A 1 12 ? -2.680 2.704 -3.346 1.00 84.33 12 A 1 ATOM 95 N N . VAL A 1 13 ? 0.593 2.299 -1.477 1.00 93.57 13 A 1 ATOM 96 C CA . VAL A 1 13 ? 1.795 3.121 -1.609 1.00 93.14 13 A 1 ATOM 97 C C . VAL A 1 13 ? 2.999 2.266 -1.996 1.00 93.25 13 A 1 ATOM 98 O O . VAL A 1 13 ? 3.808 2.655 -2.840 1.00 91.55 13 A 1 ATOM 99 C CB . VAL A 1 13 ? 2.085 3.878 -0.306 1.00 91.60 13 A 1 ATOM 100 C CG1 . VAL A 1 13 ? 3.380 4.667 -0.426 1.00 87.34 13 A 1 ATOM 101 C CG2 . VAL A 1 13 ? 0.939 4.817 0.028 1.00 87.59 13 A 1 ATOM 102 N N . PHE A 1 14 ? 3.119 1.101 -1.381 1.00 91.18 14 A 1 ATOM 103 C CA . PHE A 1 14 ? 4.224 0.192 -1.655 1.00 90.48 14 A 1 ATOM 104 C C . PHE A 1 14 ? 3.713 -1.210 -1.970 1.00 91.08 14 A 1 ATOM 105 O O . PHE A 1 14 ? 3.928 -2.146 -1.199 1.00 88.98 14 A 1 ATOM 106 C CB . PHE A 1 14 ? 5.164 0.143 -0.456 1.00 88.93 14 A 1 ATOM 107 C CG . PHE A 1 14 ? 5.665 1.502 -0.041 1.00 86.15 14 A 1 ATOM 108 C CD1 . PHE A 1 14 ? 6.530 2.207 -0.851 1.00 83.15 14 A 1 ATOM 109 C CD2 . PHE A 1 14 ? 5.252 2.063 1.156 1.00 83.27 14 A 1 ATOM 110 C CE1 . PHE A 1 14 ? 6.992 3.457 -0.476 1.00 81.86 14 A 1 ATOM 111 C CE2 . PHE A 1 14 ? 5.708 3.314 1.540 1.00 82.18 14 A 1 ATOM 112 C CZ . PHE A 1 14 ? 6.578 4.011 0.723 1.00 81.55 14 A 1 ATOM 113 N N . PRO A 1 15 ? 3.042 -1.385 -3.118 1.00 91.66 15 A 1 ATOM 114 C CA . PRO A 1 15 ? 2.483 -2.685 -3.500 1.00 90.89 15 A 1 ATOM 115 C C . PRO A 1 15 ? 3.557 -3.721 -3.802 1.00 90.91 15 A 1 ATOM 116 O O . PRO A 1 15 ? 3.337 -4.918 -3.629 1.00 88.25 15 A 1 ATOM 117 C CB . PRO A 1 15 ? 1.656 -2.370 -4.750 1.00 88.58 15 A 1 ATOM 118 C CG . PRO A 1 15 ? 2.252 -1.116 -5.293 1.00 86.85 15 A 1 ATOM 119 C CD . PRO A 1 15 ? 2.782 -0.344 -4.116 1.00 90.03 15 A 1 ATOM 120 N N . TYR A 1 16 ? 4.712 -3.274 -4.255 1.00 86.88 16 A 1 ATOM 121 C CA . TYR A 1 16 ? 5.822 -4.167 -4.594 1.00 86.52 16 A 1 ATOM 122 C C . TYR A 1 16 ? 7.035 -3.921 -3.700 1.00 86.54 16 A 1 ATOM 123 O O . TYR A 1 16 ? 8.125 -4.414 -3.975 1.00 83.15 16 A 1 ATOM 124 C CB . TYR A 1 16 ? 6.217 -3.993 -6.058 1.00 84.17 16 A 1 ATOM 125 C CG . TYR A 1 16 ? 5.844 -2.642 -6.633 1.00 76.92 16 A 1 ATOM 126 C CD1 . TYR A 1 16 ? 6.468 -1.486 -6.201 1.00 76.04 16 A 1 ATOM 127 C CD2 . TYR A 1 16 ? 4.852 -2.546 -7.596 1.00 73.68 16 A 1 ATOM 128 C CE1 . TYR A 1 16 ? 6.114 -0.255 -6.723 1.00 70.19 16 A 1 ATOM 129 C CE2 . TYR A 1 16 ? 4.492 -1.315 -8.123 1.00 71.91 16 A 1 ATOM 130 C CZ . TYR A 1 16 ? 5.129 -0.177 -7.685 1.00 70.83 16 A 1 ATOM 131 O OH . TYR A 1 16 ? 4.773 1.037 -8.198 1.00 67.25 16 A 1 ATOM 132 N N . GLN A 1 17 ? 6.839 -3.153 -2.625 1.00 86.46 17 A 1 ATOM 133 C CA . GLN A 1 17 ? 7.922 -2.851 -1.688 1.00 85.52 17 A 1 ATOM 134 C C . GLN A 1 17 ? 9.152 -2.320 -2.423 1.00 82.95 17 A 1 ATOM 135 O O . GLN A 1 17 ? 10.285 -2.692 -2.117 1.00 76.17 17 A 1 ATOM 136 C CB . GLN A 1 17 ? 8.294 -4.102 -0.887 1.00 82.09 17 A 1 ATOM 137 C CG . GLN A 1 17 ? 7.120 -4.700 -0.146 1.00 74.12 17 A 1 ATOM 138 C CD . GLN A 1 17 ? 7.475 -6.011 0.524 1.00 70.76 17 A 1 ATOM 139 O OE1 . GLN A 1 17 ? 8.603 -6.212 0.957 1.00 65.75 17 A 1 ATOM 140 N NE2 . GLN A 1 17 ? 6.521 -6.922 0.613 1.00 60.97 17 A 1 ATOM 141 N N . GLY A 1 18 ? 8.931 -1.458 -3.406 1.00 80.92 18 A 1 ATOM 142 C CA . GLY A 1 18 ? 10.019 -0.896 -4.192 1.00 77.24 18 A 1 ATOM 143 C C . GLY A 1 18 ? 10.962 -0.057 -3.352 1.00 77.47 18 A 1 ATOM 144 O O . GLY A 1 18 ? 10.679 0.249 -2.196 1.00 73.52 18 A 1 ATOM 145 N N . SER A 1 19 ? 12.086 0.329 -3.954 1.00 79.21 19 A 1 ATOM 146 C CA . SER A 1 19 ? 13.076 1.145 -3.260 1.00 77.01 19 A 1 ATOM 147 C C . SER A 1 19 ? 12.910 2.612 -3.641 1.00 76.10 19 A 1 ATOM 148 O O . SER A 1 19 ? 13.156 2.971 -4.791 1.00 70.84 19 A 1 ATOM 149 C CB . SER A 1 19 ? 14.488 0.687 -3.605 1.00 72.69 19 A 1 ATOM 150 O OG . SER A 1 19 ? 15.447 1.457 -2.917 1.00 63.93 19 A 1 ATOM 151 N N . PRO A 1 20 ? 12.486 3.463 -2.697 1.00 76.94 20 A 1 ATOM 152 C CA . PRO A 1 20 ? 12.297 4.895 -2.963 1.00 76.31 20 A 1 ATOM 153 C C . PRO A 1 20 ? 13.610 5.569 -3.362 1.00 74.31 20 A 1 ATOM 154 O O . PRO A 1 20 ? 13.599 6.375 -4.302 1.00 68.08 20 A 1 ATOM 155 C CB . PRO A 1 20 ? 11.780 5.454 -1.631 1.00 68.69 20 A 1 ATOM 156 C CG . PRO A 1 20 ? 11.250 4.273 -0.890 1.00 67.30 20 A 1 ATOM 157 C CD . PRO A 1 20 ? 12.115 3.110 -1.329 1.00 70.72 20 A 1 ATOM 158 O OXT . PRO A 1 20 ? 14.630 5.295 -2.738 1.00 66.79 20 A 1 #