# 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_spkb33709 # _entry.id spkb33709 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "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" "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" "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 VAL 2 1 n LEU 3 1 n ILE 4 1 n LYS 5 1 n VAL 6 1 n LEU 7 1 n ALA 8 1 n ASN 9 1 n LEU 10 1 n LEU 11 1 n ILE 12 1 n LEU 13 1 n GLN 14 1 n LEU 15 1 n SER 16 1 n TYR 17 1 n ALA 18 # _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 @ 2025-07-02 19:17:22)" _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 95.28 _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 85.31 1 1 A VAL 2 2 95.32 1 2 A LEU 3 2 96.27 1 3 A ILE 4 2 97.36 1 4 A LYS 5 2 93.81 1 5 A VAL 6 2 98.21 1 6 A LEU 7 2 96.46 1 7 A ALA 8 2 98.45 1 8 A ASN 9 2 96.20 1 9 A LEU 10 2 97.18 1 10 A LEU 11 2 96.76 1 11 A ILE 12 2 97.43 1 12 A LEU 13 2 96.80 1 13 A GLN 14 2 93.83 1 14 A LEU 15 2 96.92 1 15 A SER 16 2 96.90 1 16 A TYR 17 2 92.52 1 17 A ALA 18 2 92.28 1 18 # _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 VAL . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ASN . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLN . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -11.296 5.030 8.610 1.00 91.26 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.330 3.760 7.851 1.00 92.81 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.977 3.059 7.909 1.00 92.33 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.943 3.705 8.032 1.00 88.92 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.683 4.024 6.391 1.00 87.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.136 4.419 6.221 1.00 80.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.577 4.490 4.487 1.00 77.93 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.261 5.078 4.620 1.00 70.44 1 A 1 ATOM 9 N N . VAL A 1 2 ? -10.012 1.741 7.813 1.00 95.72 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -8.774 0.950 7.830 1.00 97.50 2 A 1 ATOM 11 C C . VAL A 1 2 ? -8.409 0.491 6.420 1.00 98.22 2 A 1 ATOM 12 O O . VAL A 1 2 ? -7.243 0.226 6.124 1.00 97.78 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -8.939 -0.272 8.739 1.00 96.23 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -7.623 -1.027 8.847 1.00 90.46 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -9.416 0.159 10.116 1.00 91.36 2 A 1 ATOM 16 N N . LEU A 1 3 ? -9.407 0.394 5.561 1.00 97.99 3 A 1 ATOM 17 C CA . LEU A 1 3 ? -9.186 -0.052 4.184 1.00 98.30 3 A 1 ATOM 18 C C . LEU A 1 3 ? -8.245 0.901 3.455 1.00 98.53 3 A 1 ATOM 19 O O . LEU A 1 3 ? -7.342 0.483 2.730 1.00 98.46 3 A 1 ATOM 20 C CB . LEU A 1 3 ? -10.533 -0.139 3.453 1.00 98.06 3 A 1 ATOM 21 C CG . LEU A 1 3 ? -10.629 -1.275 2.436 1.00 94.45 3 A 1 ATOM 22 C CD1 . LEU A 1 3 ? -9.540 -1.162 1.386 1.00 92.15 3 A 1 ATOM 23 C CD2 . LEU A 1 3 ? -10.545 -2.614 3.143 1.00 92.25 3 A 1 ATOM 24 N N . ILE A 1 4 ? -8.460 2.188 3.648 1.00 98.24 4 A 1 ATOM 25 C CA . ILE A 1 4 ? -7.623 3.202 3.003 1.00 98.34 4 A 1 ATOM 26 C C . ILE A 1 4 ? -6.196 3.142 3.545 1.00 98.43 4 A 1 ATOM 27 O O . ILE A 1 4 ? -5.238 3.464 2.842 1.00 98.26 4 A 1 ATOM 28 C CB . ILE A 1 4 ? -8.220 4.605 3.217 1.00 98.17 4 A 1 ATOM 29 C CG1 . ILE A 1 4 ? -9.606 4.682 2.567 1.00 97.02 4 A 1 ATOM 30 C CG2 . ILE A 1 4 ? -7.306 5.673 2.612 1.00 96.77 4 A 1 ATOM 31 C CD1 . ILE A 1 4 ? -10.358 5.941 2.948 1.00 93.63 4 A 1 ATOM 32 N N . LYS A 1 5 ? -6.048 2.727 4.784 1.00 98.67 5 A 1 ATOM 33 C CA . LYS A 1 5 ? -4.722 2.635 5.399 1.00 98.61 5 A 1 ATOM 34 C C . LYS A 1 5 ? -3.862 1.620 4.661 1.00 98.65 5 A 1 ATOM 35 O O . LYS A 1 5 ? -2.659 1.823 4.500 1.00 98.48 5 A 1 ATOM 36 C CB . LYS A 1 5 ? -4.855 2.242 6.869 1.00 98.43 5 A 1 ATOM 37 C CG . LYS A 1 5 ? -5.562 3.295 7.702 1.00 94.45 5 A 1 ATOM 38 C CD . LYS A 1 5 ? -4.719 4.543 7.853 1.00 90.58 5 A 1 ATOM 39 C CE . LYS A 1 5 ? -3.594 4.347 8.843 1.00 87.06 5 A 1 ATOM 40 N NZ . LYS A 1 5 ? -2.836 5.609 9.042 1.00 79.40 5 A 1 ATOM 41 N N . VAL A 1 6 ? -4.475 0.544 4.217 1.00 98.64 6 A 1 ATOM 42 C CA . VAL A 1 6 ? -3.747 -0.502 3.502 1.00 98.66 6 A 1 ATOM 43 C C . VAL A 1 6 ? -3.193 0.028 2.186 1.00 98.73 6 A 1 ATOM 44 O O . VAL A 1 6 ? -2.007 -0.138 1.891 1.00 98.61 6 A 1 ATOM 45 C CB . VAL A 1 6 ? -4.652 -1.715 3.238 1.00 98.48 6 A 1 ATOM 46 C CG1 . VAL A 1 6 ? -3.875 -2.799 2.507 1.00 97.19 6 A 1 ATOM 47 C CG2 . VAL A 1 6 ? -5.191 -2.259 4.552 1.00 97.13 6 A 1 ATOM 48 N N . LEU A 1 7 ? -4.050 0.654 1.398 1.00 98.46 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -3.605 1.188 0.112 1.00 98.44 7 A 1 ATOM 50 C C . LEU A 1 7 ? -2.608 2.321 0.319 1.00 98.53 7 A 1 ATOM 51 O O . LEU A 1 7 ? -1.683 2.501 -0.479 1.00 98.49 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -4.815 1.653 -0.710 1.00 98.25 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -5.574 2.827 -0.105 1.00 94.47 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -5.026 4.147 -0.654 1.00 92.18 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -7.053 2.714 -0.441 1.00 92.83 7 A 1 ATOM 56 N N . ALA A 1 8 ? -2.785 3.086 1.374 1.00 98.48 8 A 1 ATOM 57 C CA . ALA A 1 8 ? -1.870 4.186 1.679 1.00 98.48 8 A 1 ATOM 58 C C . ALA A 1 8 ? -0.495 3.640 2.050 1.00 98.58 8 A 1 ATOM 59 O O . ALA A 1 8 ? 0.531 4.216 1.688 1.00 98.46 8 A 1 ATOM 60 C CB . ALA A 1 8 ? -2.432 5.025 2.819 1.00 98.27 8 A 1 ATOM 61 N N . ASN A 1 9 ? -0.484 2.529 2.762 1.00 98.47 9 A 1 ATOM 62 C CA . ASN A 1 9 ? 0.771 1.901 3.158 1.00 98.48 9 A 1 ATOM 63 C C . ASN A 1 9 ? 1.532 1.394 1.943 1.00 98.60 9 A 1 ATOM 64 O O . ASN A 1 9 ? 2.759 1.430 1.916 1.00 98.47 9 A 1 ATOM 65 C CB . ASN A 1 9 ? 0.493 0.741 4.114 1.00 98.24 9 A 1 ATOM 66 C CG . ASN A 1 9 ? 0.278 1.231 5.529 1.00 95.28 9 A 1 ATOM 67 O OD1 . ASN A 1 9 ? 0.849 2.224 5.947 1.00 90.46 9 A 1 ATOM 68 N ND2 . ASN A 1 9 ? -0.546 0.534 6.290 1.00 91.63 9 A 1 ATOM 69 N N . LEU A 1 10 ? 0.806 0.925 0.944 1.00 98.62 10 A 1 ATOM 70 C CA . LEU A 1 10 ? 1.438 0.424 -0.275 1.00 98.59 10 A 1 ATOM 71 C C . LEU A 1 10 ? 2.178 1.543 -0.991 1.00 98.67 10 A 1 ATOM 72 O O . LEU A 1 10 ? 3.273 1.340 -1.515 1.00 98.54 10 A 1 ATOM 73 C CB . LEU A 1 10 ? 0.374 -0.170 -1.194 1.00 98.46 10 A 1 ATOM 74 C CG . LEU A 1 10 ? -0.230 -1.463 -0.659 1.00 96.38 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? -1.439 -1.856 -1.485 1.00 93.58 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? 0.806 -2.582 -0.686 1.00 94.59 10 A 1 ATOM 77 N N . LEU A 1 11 ? 1.577 2.716 -1.019 1.00 98.56 11 A 1 ATOM 78 C CA . LEU A 1 11 ? 2.198 3.865 -1.670 1.00 98.51 11 A 1 ATOM 79 C C . LEU A 1 11 ? 3.452 4.296 -0.914 1.00 98.60 11 A 1 ATOM 80 O O . LEU A 1 11 ? 4.497 4.543 -1.512 1.00 98.45 11 A 1 ATOM 81 C CB . LEU A 1 11 ? 1.211 5.031 -1.729 1.00 98.32 11 A 1 ATOM 82 C CG . LEU A 1 11 ? 1.661 6.138 -2.678 1.00 95.07 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? 1.375 5.738 -4.120 1.00 92.82 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? 0.941 7.440 -2.353 1.00 93.74 11 A 1 ATOM 85 N N . ILE A 1 12 ? 3.339 4.385 0.399 1.00 98.64 12 A 1 ATOM 86 C CA . ILE A 1 12 ? 4.472 4.785 1.232 1.00 98.52 12 A 1 ATOM 87 C C . ILE A 1 12 ? 5.558 3.718 1.202 1.00 98.53 12 A 1 ATOM 88 O O . ILE A 1 12 ? 6.751 4.032 1.214 1.00 98.28 12 A 1 ATOM 89 C CB . ILE A 1 12 ? 4.013 5.028 2.677 1.00 98.23 12 A 1 ATOM 90 C CG1 . ILE A 1 12 ? 3.006 6.179 2.727 1.00 96.90 12 A 1 ATOM 91 C CG2 . ILE A 1 12 ? 5.218 5.348 3.568 1.00 96.67 12 A 1 ATOM 92 C CD1 . ILE A 1 12 ? 2.258 6.243 4.044 1.00 93.70 12 A 1 ATOM 93 N N . LEU A 1 13 ? 5.142 2.469 1.164 1.00 98.72 13 A 1 ATOM 94 C CA . LEU A 1 13 ? 6.089 1.356 1.138 1.00 98.62 13 A 1 ATOM 95 C C . LEU A 1 13 ? 6.956 1.421 -0.112 1.00 98.64 13 A 1 ATOM 96 O O . LEU A 1 13 ? 8.171 1.234 -0.045 1.00 98.36 13 A 1 ATOM 97 C CB . LEU A 1 13 ? 5.322 0.035 1.175 1.00 98.38 13 A 1 ATOM 98 C CG . LEU A 1 13 ? 6.220 -1.198 1.133 1.00 95.73 13 A 1 ATOM 99 C CD1 . LEU A 1 13 ? 7.055 -1.279 2.407 1.00 92.80 13 A 1 ATOM 100 C CD2 . LEU A 1 13 ? 5.379 -2.452 0.985 1.00 93.18 13 A 1 ATOM 101 N N . GLN A 1 14 ? 6.341 1.686 -1.241 1.00 98.47 14 A 1 ATOM 102 C CA . GLN A 1 14 ? 7.070 1.769 -2.506 1.00 98.39 14 A 1 ATOM 103 C C . GLN A 1 14 ? 8.077 2.912 -2.477 1.00 98.42 14 A 1 ATOM 104 O O . GLN A 1 14 ? 9.193 2.779 -2.976 1.00 97.51 14 A 1 ATOM 105 C CB . GLN A 1 14 ? 6.087 1.957 -3.652 1.00 97.93 14 A 1 ATOM 106 C CG . GLN A 1 14 ? 5.293 0.690 -3.910 1.00 94.69 14 A 1 ATOM 107 C CD . GLN A 1 14 ? 4.348 0.860 -5.074 1.00 91.11 14 A 1 ATOM 108 O OE1 . GLN A 1 14 ? 4.607 0.394 -6.174 1.00 85.83 14 A 1 ATOM 109 N NE2 . GLN A 1 14 ? 3.248 1.536 -4.850 1.00 82.08 14 A 1 ATOM 110 N N . LEU A 1 15 ? 7.685 4.025 -1.896 1.00 98.51 15 A 1 ATOM 111 C CA . LEU A 1 15 ? 8.579 5.176 -1.796 1.00 98.40 15 A 1 ATOM 112 C C . LEU A 1 15 ? 9.708 4.899 -0.812 1.00 98.39 15 A 1 ATOM 113 O O . LEU A 1 15 ? 10.837 5.349 -1.018 1.00 97.87 15 A 1 ATOM 114 C CB . LEU A 1 15 ? 7.787 6.404 -1.346 1.00 98.17 15 A 1 ATOM 115 C CG . LEU A 1 15 ? 6.872 6.961 -2.429 1.00 96.76 15 A 1 ATOM 116 C CD1 . LEU A 1 15 ? 5.894 7.954 -1.829 1.00 93.80 15 A 1 ATOM 117 C CD2 . LEU A 1 15 ? 7.699 7.635 -3.513 1.00 93.48 15 A 1 ATOM 118 N N . SER A 1 16 ? 9.404 4.178 0.245 1.00 98.34 16 A 1 ATOM 119 C CA . SER A 1 16 ? 10.405 3.842 1.259 1.00 98.22 16 A 1 ATOM 120 C C . SER A 1 16 ? 11.444 2.876 0.700 1.00 98.17 16 A 1 ATOM 121 O O . SER A 1 16 ? 12.632 2.984 1.004 1.00 97.30 16 A 1 ATOM 122 C CB . SER A 1 16 ? 9.730 3.225 2.483 1.00 97.53 16 A 1 ATOM 123 O OG . SER A 1 16 ? 8.888 4.167 3.117 1.00 91.81 16 A 1 ATOM 124 N N . TYR A 1 17 ? 10.984 1.932 -0.112 1.00 97.23 17 A 1 ATOM 125 C CA . TYR A 1 17 ? 11.885 0.947 -0.705 1.00 96.67 17 A 1 ATOM 126 C C . TYR A 1 17 ? 12.571 1.495 -1.955 1.00 96.24 17 A 1 ATOM 127 O O . TYR A 1 17 ? 13.575 0.939 -2.408 1.00 94.30 17 A 1 ATOM 128 C CB . TYR A 1 17 ? 11.100 -0.325 -1.069 1.00 95.30 17 A 1 ATOM 129 C CG . TYR A 1 17 ? 10.733 -1.158 0.148 1.00 92.71 17 A 1 ATOM 130 C CD1 . TYR A 1 17 ? 11.375 -0.978 1.362 1.00 90.18 17 A 1 ATOM 131 C CD2 . TYR A 1 17 ? 9.750 -2.138 0.056 1.00 90.02 17 A 1 ATOM 132 C CE1 . TYR A 1 17 ? 11.052 -1.750 2.467 1.00 89.69 17 A 1 ATOM 133 C CE2 . TYR A 1 17 ? 9.421 -2.926 1.152 1.00 89.54 17 A 1 ATOM 134 C CZ . TYR A 1 17 ? 10.075 -2.722 2.354 1.00 90.00 17 A 1 ATOM 135 O OH . TYR A 1 17 ? 9.753 -3.490 3.448 1.00 88.31 17 A 1 ATOM 136 N N . ALA A 1 18 ? 12.042 2.565 -2.503 1.00 96.82 18 A 1 ATOM 137 C CA . ALA A 1 18 ? 12.599 3.150 -3.715 1.00 95.22 18 A 1 ATOM 138 C C . ALA A 1 18 ? 13.893 3.895 -3.416 1.00 93.21 18 A 1 ATOM 139 O O . ALA A 1 18 ? 13.949 4.603 -2.397 1.00 89.77 18 A 1 ATOM 140 C CB . ALA A 1 18 ? 11.588 4.077 -4.365 1.00 93.09 18 A 1 ATOM 141 O OXT . ALA A 1 18 ? 14.838 3.784 -4.205 1.00 85.56 18 A 1 #