# 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_spkb17669 # _entry.id spkb17669 # 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 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" "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" "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 PHE 2 1 n LEU 3 1 n ILE 4 1 n GLN 5 1 n CYS 6 1 n LEU 7 1 n ILE 8 1 n SER 9 1 n ALA 10 1 n VAL 11 1 n ILE 12 1 n PHE 13 1 n TYR 14 1 n ILE 15 1 n GLN 16 1 n VAL 17 # _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 @ 2025-07-07 16:11:17)" _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 94.58 _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 86.49 1 1 A PHE 2 2 91.62 1 2 A LEU 3 2 93.99 1 3 A ILE 4 2 96.15 1 4 A GLN 5 2 93.12 1 5 A CYS 6 2 97.19 1 6 A LEU 7 2 95.47 1 7 A ILE 8 2 96.70 1 8 A SER 9 2 95.80 1 9 A ALA 10 2 97.77 1 10 A VAL 11 2 97.22 1 11 A ILE 12 2 96.57 1 12 A PHE 13 2 95.70 1 13 A TYR 14 2 95.91 1 14 A ILE 15 2 96.32 1 15 A GLN 16 2 93.43 1 16 A VAL 17 2 91.24 1 17 # _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 PHE . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n VAL . 17 A 17 # _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 ? -10.959 -4.399 2.883 1.00 90.71 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.792 -4.435 3.779 1.00 92.69 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.490 -4.361 2.994 1.00 93.43 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.568 -3.635 3.368 1.00 92.43 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.799 -5.708 4.635 1.00 89.06 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.641 -5.765 5.624 1.00 83.12 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.707 -7.227 6.661 1.00 79.19 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.229 -6.981 7.645 1.00 71.26 1 A 1 ATOM 9 N N . PHE A 1 2 ? -8.413 -5.106 1.905 1.00 93.15 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -7.216 -5.118 1.068 1.00 95.44 2 A 1 ATOM 11 C C . PHE A 1 2 ? -6.892 -3.723 0.543 1.00 97.05 2 A 1 ATOM 12 O O . PHE A 1 2 ? -5.728 -3.314 0.517 1.00 96.56 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -7.407 -6.089 -0.101 1.00 93.87 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -6.177 -6.222 -0.956 1.00 91.13 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -5.094 -6.965 -0.518 1.00 89.43 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -6.114 -5.605 -2.190 1.00 89.04 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -3.956 -7.095 -1.296 1.00 88.09 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -4.971 -5.727 -2.979 1.00 87.22 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -3.899 -6.472 -2.530 1.00 86.88 2 A 1 ATOM 20 N N . LEU A 1 3 ? -7.936 -2.990 0.154 1.00 95.70 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -7.751 -1.640 -0.370 1.00 96.64 3 A 1 ATOM 22 C C . LEU A 1 3 ? -7.138 -0.729 0.691 1.00 97.19 3 A 1 ATOM 23 O O . LEU A 1 3 ? -6.300 0.122 0.388 1.00 97.01 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -9.087 -1.058 -0.857 1.00 96.32 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -9.533 -1.504 -2.256 1.00 92.22 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -8.504 -1.057 -3.285 1.00 88.40 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -9.706 -3.016 -2.315 1.00 88.41 3 A 1 ATOM 28 N N . ILE A 1 4 ? -7.554 -0.921 1.944 1.00 97.74 4 A 1 ATOM 29 C CA . ILE A 1 4 ? -7.027 -0.132 3.054 1.00 97.75 4 A 1 ATOM 30 C C . ILE A 1 4 ? -5.539 -0.423 3.243 1.00 97.89 4 A 1 ATOM 31 O O . ILE A 1 4 ? -4.741 0.488 3.481 1.00 97.56 4 A 1 ATOM 32 C CB . ILE A 1 4 ? -7.791 -0.433 4.358 1.00 97.44 4 A 1 ATOM 33 C CG1 . ILE A 1 4 ? -9.269 -0.073 4.198 1.00 95.19 4 A 1 ATOM 34 C CG2 . ILE A 1 4 ? -7.172 0.344 5.522 1.00 94.76 4 A 1 ATOM 35 C CD1 . ILE A 1 4 ? -10.114 -0.494 5.385 1.00 90.87 4 A 1 ATOM 36 N N . GLN A 1 5 ? -5.166 -1.695 3.136 1.00 97.75 5 A 1 ATOM 37 C CA . GLN A 1 5 ? -3.768 -2.094 3.275 1.00 97.75 5 A 1 ATOM 38 C C . GLN A 1 5 ? -2.925 -1.459 2.176 1.00 97.87 5 A 1 ATOM 39 O O . GLN A 1 5 ? -1.785 -1.049 2.410 1.00 97.18 5 A 1 ATOM 40 C CB . GLN A 1 5 ? -3.639 -3.620 3.217 1.00 97.18 5 A 1 ATOM 41 C CG . GLN A 1 5 ? -4.315 -4.324 4.383 1.00 92.15 5 A 1 ATOM 42 C CD . GLN A 1 5 ? -3.723 -3.912 5.715 1.00 89.57 5 A 1 ATOM 43 O OE1 . GLN A 1 5 ? -2.509 -3.787 5.852 1.00 85.56 5 A 1 ATOM 44 N NE2 . GLN A 1 5 ? -4.565 -3.696 6.702 1.00 83.04 5 A 1 ATOM 45 N N . CYS A 1 6 ? -3.480 -1.382 0.975 1.00 97.80 6 A 1 ATOM 46 C CA . CYS A 1 6 ? -2.790 -0.762 -0.150 1.00 97.87 6 A 1 ATOM 47 C C . CYS A 1 6 ? -2.527 0.713 0.129 1.00 98.04 6 A 1 ATOM 48 O O . CYS A 1 6 ? -1.461 1.234 -0.196 1.00 97.43 6 A 1 ATOM 49 C CB . CYS A 1 6 ? -3.622 -0.911 -1.427 1.00 97.47 6 A 1 ATOM 50 S SG . CYS A 1 6 ? -3.756 -2.633 -1.976 1.00 94.52 6 A 1 ATOM 51 N N . LEU A 1 7 ? -3.503 1.375 0.746 1.00 97.36 7 A 1 ATOM 52 C CA . LEU A 1 7 ? -3.376 2.786 1.086 1.00 97.56 7 A 1 ATOM 53 C C . LEU A 1 7 ? -2.249 2.998 2.091 1.00 97.83 7 A 1 ATOM 54 O O . LEU A 1 7 ? -1.425 3.901 1.931 1.00 97.62 7 A 1 ATOM 55 C CB . LEU A 1 7 ? -4.696 3.313 1.657 1.00 97.40 7 A 1 ATOM 56 C CG . LEU A 1 7 ? -4.675 4.789 2.054 1.00 93.21 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? -4.445 5.665 0.830 1.00 91.11 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? -5.977 5.171 2.740 1.00 91.68 7 A 1 ATOM 59 N N . ILE A 1 8 ? -2.215 2.162 3.119 1.00 97.82 8 A 1 ATOM 60 C CA . ILE A 1 8 ? -1.184 2.245 4.151 1.00 97.77 8 A 1 ATOM 61 C C . ILE A 1 8 ? 0.193 2.005 3.539 1.00 97.94 8 A 1 ATOM 62 O O . ILE A 1 8 ? 1.152 2.731 3.822 1.00 97.94 8 A 1 ATOM 63 C CB . ILE A 1 8 ? -1.444 1.221 5.274 1.00 97.62 8 A 1 ATOM 64 C CG1 . ILE A 1 8 ? -2.771 1.525 5.971 1.00 96.40 8 A 1 ATOM 65 C CG2 . ILE A 1 8 ? -0.298 1.246 6.289 1.00 95.78 8 A 1 ATOM 66 C CD1 . ILE A 1 8 ? -3.211 0.432 6.929 1.00 92.34 8 A 1 ATOM 67 N N . SER A 1 9 ? 0.293 0.985 2.689 1.00 97.77 9 A 1 ATOM 68 C CA . SER A 1 9 ? 1.553 0.648 2.032 1.00 97.58 9 A 1 ATOM 69 C C . SER A 1 9 ? 2.037 1.802 1.160 1.00 97.91 9 A 1 ATOM 70 O O . SER A 1 9 ? 3.233 2.088 1.100 1.00 97.50 9 A 1 ATOM 71 C CB . SER A 1 9 ? 1.386 -0.609 1.181 1.00 96.64 9 A 1 ATOM 72 O OG . SER A 1 9 ? 1.027 -1.712 1.992 1.00 87.43 9 A 1 ATOM 73 N N . ALA A 1 10 ? 1.104 2.462 0.487 1.00 97.80 10 A 1 ATOM 74 C CA . ALA A 1 10 ? 1.436 3.592 -0.374 1.00 97.78 10 A 1 ATOM 75 C C . ALA A 1 10 ? 2.033 4.738 0.437 1.00 98.15 10 A 1 ATOM 76 O O . ALA A 1 10 ? 3.000 5.372 0.009 1.00 97.76 10 A 1 ATOM 77 C CB . ALA A 1 10 ? 0.191 4.067 -1.117 1.00 97.35 10 A 1 ATOM 78 N N . VAL A 1 11 ? 1.465 4.996 1.612 1.00 97.75 11 A 1 ATOM 79 C CA . VAL A 1 11 ? 1.952 6.059 2.484 1.00 98.05 11 A 1 ATOM 80 C C . VAL A 1 11 ? 3.360 5.742 2.973 1.00 98.31 11 A 1 ATOM 81 O O . VAL A 1 11 ? 4.239 6.604 2.975 1.00 97.98 11 A 1 ATOM 82 C CB . VAL A 1 11 ? 1.019 6.265 3.689 1.00 97.76 11 A 1 ATOM 83 C CG1 . VAL A 1 11 ? 1.595 7.305 4.644 1.00 95.38 11 A 1 ATOM 84 C CG2 . VAL A 1 11 ? -0.363 6.689 3.217 1.00 95.30 11 A 1 ATOM 85 N N . ILE A 1 12 ? 3.574 4.499 3.386 1.00 98.09 12 A 1 ATOM 86 C CA . ILE A 1 12 ? 4.882 4.063 3.869 1.00 97.90 12 A 1 ATOM 87 C C . ILE A 1 12 ? 5.924 4.206 2.768 1.00 97.95 12 A 1 ATOM 88 O O . ILE A 1 12 ? 7.032 4.690 3.004 1.00 97.63 12 A 1 ATOM 89 C CB . ILE A 1 12 ? 4.832 2.603 4.353 1.00 97.51 12 A 1 ATOM 90 C CG1 . ILE A 1 12 ? 3.906 2.479 5.563 1.00 96.02 12 A 1 ATOM 91 C CG2 . ILE A 1 12 ? 6.238 2.117 4.710 1.00 95.73 12 A 1 ATOM 92 C CD1 . ILE A 1 12 ? 3.629 1.044 5.964 1.00 91.71 12 A 1 ATOM 93 N N . PHE A 1 13 ? 5.569 3.788 1.566 1.00 98.20 13 A 1 ATOM 94 C CA . PHE A 1 13 ? 6.466 3.884 0.418 1.00 98.04 13 A 1 ATOM 95 C C . PHE A 1 13 ? 6.835 5.339 0.142 1.00 98.18 13 A 1 ATOM 96 O O . PHE A 1 13 ? 7.987 5.651 -0.164 1.00 97.85 13 A 1 ATOM 97 C CB . PHE A 1 13 ? 5.806 3.269 -0.818 1.00 97.60 13 A 1 ATOM 98 C CG . PHE A 1 13 ? 6.725 3.220 -2.013 1.00 96.08 13 A 1 ATOM 99 C CD1 . PHE A 1 13 ? 7.698 2.238 -2.111 1.00 93.45 13 A 1 ATOM 100 C CD2 . PHE A 1 13 ? 6.612 4.156 -3.027 1.00 94.14 13 A 1 ATOM 101 C CE1 . PHE A 1 13 ? 8.549 2.187 -3.203 1.00 92.94 13 A 1 ATOM 102 C CE2 . PHE A 1 13 ? 7.466 4.117 -4.127 1.00 93.08 13 A 1 ATOM 103 C CZ . PHE A 1 13 ? 8.435 3.130 -4.212 1.00 93.11 13 A 1 ATOM 104 N N . TYR A 1 14 ? 5.853 6.216 0.256 1.00 98.21 14 A 1 ATOM 105 C CA . TYR A 1 14 ? 6.062 7.645 0.027 1.00 98.17 14 A 1 ATOM 106 C C . TYR A 1 14 ? 7.072 8.212 1.023 1.00 98.21 14 A 1 ATOM 107 O O . TYR A 1 14 ? 7.900 9.058 0.669 1.00 97.82 14 A 1 ATOM 108 C CB . TYR A 1 14 ? 4.732 8.395 0.151 1.00 97.94 14 A 1 ATOM 109 C CG . TYR A 1 14 ? 4.823 9.843 -0.276 1.00 96.34 14 A 1 ATOM 110 C CD1 . TYR A 1 14 ? 5.147 10.835 0.640 1.00 94.05 14 A 1 ATOM 111 C CD2 . TYR A 1 14 ? 4.592 10.203 -1.599 1.00 94.17 14 A 1 ATOM 112 C CE1 . TYR A 1 14 ? 5.244 12.164 0.245 1.00 93.92 14 A 1 ATOM 113 C CE2 . TYR A 1 14 ? 4.687 11.530 -2.001 1.00 93.87 14 A 1 ATOM 114 C CZ . TYR A 1 14 ? 5.015 12.503 -1.074 1.00 94.46 14 A 1 ATOM 115 O OH . TYR A 1 14 ? 5.109 13.820 -1.465 1.00 93.78 14 A 1 ATOM 116 N N . ILE A 1 15 ? 7.001 7.736 2.267 1.00 97.77 15 A 1 ATOM 117 C CA . ILE A 1 15 ? 7.917 8.187 3.311 1.00 97.70 15 A 1 ATOM 118 C C . ILE A 1 15 ? 9.311 7.603 3.108 1.00 97.75 15 A 1 ATOM 119 O O . ILE A 1 15 ? 10.316 8.278 3.337 1.00 96.98 15 A 1 ATOM 120 C CB . ILE A 1 15 ? 7.391 7.800 4.704 1.00 97.40 15 A 1 ATOM 121 C CG1 . ILE A 1 15 ? 6.056 8.492 4.976 1.00 95.72 15 A 1 ATOM 122 C CG2 . ILE A 1 15 ? 8.408 8.169 5.781 1.00 94.96 15 A 1 ATOM 123 C CD1 . ILE A 1 15 ? 5.358 7.969 6.217 1.00 92.29 15 A 1 ATOM 124 N N . GLN A 1 16 ? 9.356 6.341 2.687 1.00 97.96 16 A 1 ATOM 125 C CA . GLN A 1 16 ? 10.627 5.651 2.487 1.00 97.66 16 A 1 ATOM 126 C C . GLN A 1 16 ? 11.454 6.290 1.378 1.00 97.62 16 A 1 ATOM 127 O O . GLN A 1 16 ? 12.675 6.396 1.492 1.00 95.80 16 A 1 ATOM 128 C CB . GLN A 1 16 ? 10.380 4.179 2.158 1.00 96.90 16 A 1 ATOM 129 C CG . GLN A 1 16 ? 9.865 3.392 3.350 1.00 93.84 16 A 1 ATOM 130 C CD . GLN A 1 16 ? 9.583 1.945 3.001 1.00 90.60 16 A 1 ATOM 131 O OE1 . GLN A 1 16 ? 9.480 1.589 1.831 1.00 86.44 16 A 1 ATOM 132 N NE2 . GLN A 1 16 ? 9.455 1.098 4.008 1.00 84.04 16 A 1 ATOM 133 N N . VAL A 1 17 ? 10.790 6.707 0.308 1.00 96.12 17 A 1 ATOM 134 C CA . VAL A 1 17 ? 11.479 7.315 -0.838 1.00 95.21 17 A 1 ATOM 135 C C . VAL A 1 17 ? 10.865 8.651 -1.220 1.00 93.90 17 A 1 ATOM 136 O O . VAL A 1 17 ? 10.542 8.880 -2.395 1.00 90.78 17 A 1 ATOM 137 C CB . VAL A 1 17 ? 11.468 6.375 -2.067 1.00 92.87 17 A 1 ATOM 138 C CG1 . VAL A 1 17 ? 12.327 5.165 -1.791 1.00 86.44 17 A 1 ATOM 139 C CG2 . VAL A 1 17 ? 10.052 5.947 -2.401 1.00 87.38 17 A 1 ATOM 140 O OXT . VAL A 1 17 ? 10.722 9.510 -0.334 1.00 87.20 17 A 1 #