# 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_spkb30196 # _entry.id spkb30196 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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" "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" "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 ALA 2 1 n LEU 3 1 n LEU 4 1 n ARG 5 1 n HIS 6 1 n LEU 7 1 n LEU 8 1 n PRO 9 1 n VAL 10 1 n LEU 11 1 n THR 12 1 n VAL 13 1 n GLY 14 1 n SER 15 1 n ALA 16 1 n VAL 17 1 n GLN 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 @ 2025-07-12 15:04:22)" _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 83.33 _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 70.77 1 1 A ALA 2 2 82.19 1 2 A LEU 3 2 83.18 1 3 A LEU 4 2 84.39 1 4 A ARG 5 2 77.95 1 5 A HIS 6 2 82.25 1 6 A LEU 7 2 85.80 1 7 A LEU 8 2 85.14 1 8 A PRO 9 2 88.50 1 9 A VAL 10 2 89.05 1 10 A LEU 11 2 85.94 1 11 A THR 12 2 85.90 1 12 A VAL 13 2 88.71 1 13 A GLY 14 2 87.30 1 14 A SER 15 2 85.21 1 15 A ALA 16 2 88.05 1 16 A VAL 17 2 87.26 1 17 A GLN 18 2 79.03 1 18 A SER 19 2 75.10 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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n HIS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n GLN . 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 ? 0.927 2.490 13.384 1.00 76.38 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.531 2.764 12.068 1.00 78.53 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.691 1.492 11.236 1.00 79.31 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.720 1.548 10.015 1.00 74.41 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.904 3.405 12.245 1.00 71.24 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.836 2.562 13.116 1.00 66.96 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.466 3.291 13.208 1.00 63.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? 6.127 2.415 14.614 1.00 55.80 1 A 1 ATOM 9 N N . ALA A 1 2 ? 1.814 0.362 11.911 1.00 78.61 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 1.970 -0.913 11.214 1.00 83.51 2 A 1 ATOM 11 C C . ALA A 1 2 ? 0.773 -1.215 10.317 1.00 86.55 2 A 1 ATOM 12 O O . ALA A 1 2 ? 0.930 -1.659 9.182 1.00 83.22 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 2.164 -2.030 12.232 1.00 79.06 2 A 1 ATOM 14 N N . LEU A 1 3 ? -0.428 -0.970 10.820 1.00 87.13 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -1.651 -1.231 10.057 1.00 87.56 3 A 1 ATOM 16 C C . LEU A 1 3 ? -1.716 -0.386 8.787 1.00 89.38 3 A 1 ATOM 17 O O . LEU A 1 3 ? -1.733 -0.912 7.678 1.00 87.04 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -2.866 -0.948 10.945 1.00 85.65 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -3.170 -2.088 11.913 1.00 78.91 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -3.822 -1.558 13.180 1.00 75.98 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -4.092 -3.101 11.242 1.00 73.75 3 A 1 ATOM 22 N N . LEU A 1 4 ? -1.763 0.928 8.943 1.00 88.17 4 A 1 ATOM 23 C CA . LEU A 1 4 ? -1.844 1.838 7.796 1.00 88.21 4 A 1 ATOM 24 C C . LEU A 1 4 ? -0.573 1.792 6.956 1.00 89.15 4 A 1 ATOM 25 O O . LEU A 1 4 ? -0.621 1.866 5.730 1.00 86.81 4 A 1 ATOM 26 C CB . LEU A 1 4 ? -2.104 3.263 8.301 1.00 86.64 4 A 1 ATOM 27 C CG . LEU A 1 4 ? -3.088 4.030 7.421 1.00 82.86 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? -3.717 5.175 8.211 1.00 78.35 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? -2.396 4.578 6.189 1.00 74.96 4 A 1 ATOM 30 N N . ARG A 1 5 ? 0.568 1.658 7.608 1.00 87.05 5 A 1 ATOM 31 C CA . ARG A 1 5 ? 1.866 1.618 6.922 1.00 87.94 5 A 1 ATOM 32 C C . ARG A 1 5 ? 1.949 0.435 5.965 1.00 88.63 5 A 1 ATOM 33 O O . ARG A 1 5 ? 2.513 0.552 4.880 1.00 86.11 5 A 1 ATOM 34 C CB . ARG A 1 5 ? 2.976 1.532 7.969 1.00 85.54 5 A 1 ATOM 35 C CG . ARG A 1 5 ? 4.329 1.161 7.383 1.00 78.15 5 A 1 ATOM 36 C CD . ARG A 1 5 ? 4.844 2.266 6.471 1.00 77.63 5 A 1 ATOM 37 N NE . ARG A 1 5 ? 6.147 1.912 5.920 1.00 71.32 5 A 1 ATOM 38 C CZ . ARG A 1 5 ? 6.903 2.727 5.206 1.00 68.62 5 A 1 ATOM 39 N NH1 . ARG A 1 5 ? 6.494 3.953 4.936 1.00 62.97 5 A 1 ATOM 40 N NH2 . ARG A 1 5 ? 8.077 2.317 4.755 1.00 63.54 5 A 1 ATOM 41 N N . HIS A 1 6 ? 1.405 -0.704 6.358 1.00 87.29 6 A 1 ATOM 42 C CA . HIS A 1 6 ? 1.459 -1.907 5.530 1.00 87.63 6 A 1 ATOM 43 C C . HIS A 1 6 ? 0.354 -1.910 4.475 1.00 89.68 6 A 1 ATOM 44 O O . HIS A 1 6 ? 0.547 -2.400 3.367 1.00 86.80 6 A 1 ATOM 45 C CB . HIS A 1 6 ? 1.331 -3.148 6.419 1.00 86.34 6 A 1 ATOM 46 C CG . HIS A 1 6 ? 2.598 -3.443 7.178 1.00 82.53 6 A 1 ATOM 47 N ND1 . HIS A 1 6 ? 2.701 -4.458 8.106 1.00 73.91 6 A 1 ATOM 48 C CD2 . HIS A 1 6 ? 3.826 -2.860 7.145 1.00 74.84 6 A 1 ATOM 49 C CE1 . HIS A 1 6 ? 3.932 -4.478 8.594 1.00 76.13 6 A 1 ATOM 50 N NE2 . HIS A 1 6 ? 4.640 -3.515 8.035 1.00 77.39 6 A 1 ATOM 51 N N . LEU A 1 7 ? -0.800 -1.372 4.798 1.00 88.83 7 A 1 ATOM 52 C CA . LEU A 1 7 ? -1.925 -1.318 3.868 1.00 89.08 7 A 1 ATOM 53 C C . LEU A 1 7 ? -1.653 -0.366 2.706 1.00 90.38 7 A 1 ATOM 54 O O . LEU A 1 7 ? -2.037 -0.636 1.571 1.00 88.25 7 A 1 ATOM 55 C CB . LEU A 1 7 ? -3.189 -0.889 4.611 1.00 87.99 7 A 1 ATOM 56 C CG . LEU A 1 7 ? -4.039 -2.066 5.082 1.00 83.77 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? -3.365 -2.804 6.237 1.00 79.81 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? -5.415 -1.576 5.516 1.00 78.26 7 A 1 ATOM 59 N N . LEU A 1 8 ? -1.001 0.740 2.989 1.00 89.12 8 A 1 ATOM 60 C CA . LEU A 1 8 ? -0.690 1.739 1.964 1.00 89.07 8 A 1 ATOM 61 C C . LEU A 1 8 ? 0.150 1.153 0.821 1.00 90.02 8 A 1 ATOM 62 O O . LEU A 1 8 ? -0.249 1.219 -0.341 1.00 88.17 8 A 1 ATOM 63 C CB . LEU A 1 8 ? 0.037 2.922 2.609 1.00 87.59 8 A 1 ATOM 64 C CG . LEU A 1 8 ? -0.195 4.227 1.858 1.00 82.11 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? -1.547 4.820 2.244 1.00 78.36 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? 0.920 5.215 2.173 1.00 76.71 8 A 1 ATOM 67 N N . PRO A 1 9 ? 1.316 0.587 1.122 1.00 89.68 9 A 1 ATOM 68 C CA . PRO A 1 9 ? 2.184 0.019 0.083 1.00 89.82 9 A 1 ATOM 69 C C . PRO A 1 9 ? 1.541 -1.168 -0.624 1.00 90.70 9 A 1 ATOM 70 O O . PRO A 1 9 ? 1.746 -1.362 -1.821 1.00 88.24 9 A 1 ATOM 71 C CB . PRO A 1 9 ? 3.434 -0.414 0.858 1.00 87.51 9 A 1 ATOM 72 C CG . PRO A 1 9 ? 2.964 -0.600 2.264 1.00 85.03 9 A 1 ATOM 73 C CD . PRO A 1 9 ? 1.888 0.435 2.456 1.00 88.50 9 A 1 ATOM 74 N N . VAL A 1 10 ? 0.763 -1.950 0.088 1.00 90.98 10 A 1 ATOM 75 C CA . VAL A 1 10 ? 0.082 -3.108 -0.494 1.00 90.99 10 A 1 ATOM 76 C C . VAL A 1 10 ? -0.864 -2.660 -1.606 1.00 91.51 10 A 1 ATOM 77 O O . VAL A 1 10 ? -0.944 -3.289 -2.661 1.00 89.57 10 A 1 ATOM 78 C CB . VAL A 1 10 ? -0.705 -3.866 0.588 1.00 89.40 10 A 1 ATOM 79 C CG1 . VAL A 1 10 ? -1.578 -4.941 -0.047 1.00 84.90 10 A 1 ATOM 80 C CG2 . VAL A 1 10 ? 0.248 -4.496 1.586 1.00 86.01 10 A 1 ATOM 81 N N . LEU A 1 11 ? -1.570 -1.566 -1.366 1.00 90.34 11 A 1 ATOM 82 C CA . LEU A 1 11 ? -2.505 -1.026 -2.350 1.00 89.54 11 A 1 ATOM 83 C C . LEU A 1 11 ? -1.759 -0.517 -3.575 1.00 90.23 11 A 1 ATOM 84 O O . LEU A 1 11 ? -2.200 -0.708 -4.707 1.00 87.75 11 A 1 ATOM 85 C CB . LEU A 1 11 ? -3.308 0.112 -1.715 1.00 88.50 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -4.763 -0.274 -1.455 1.00 83.68 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -5.377 0.621 -0.393 1.00 79.39 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -5.551 -0.164 -2.754 1.00 78.12 11 A 1 ATOM 89 N N . THR A 1 12 ? -0.639 0.121 -3.359 1.00 89.02 12 A 1 ATOM 90 C CA . THR A 1 12 ? 0.177 0.656 -4.452 1.00 88.56 12 A 1 ATOM 91 C C . THR A 1 12 ? 0.657 -0.470 -5.365 1.00 88.70 12 A 1 ATOM 92 O O . THR A 1 12 ? 0.609 -0.353 -6.588 1.00 87.02 12 A 1 ATOM 93 C CB . THR A 1 12 ? 1.393 1.400 -3.891 1.00 86.85 12 A 1 ATOM 94 O OG1 . THR A 1 12 ? 0.964 2.375 -2.952 1.00 81.61 12 A 1 ATOM 95 C CG2 . THR A 1 12 ? 2.149 2.102 -5.012 1.00 79.52 12 A 1 ATOM 96 N N . VAL A 1 13 ? 1.116 -1.555 -4.781 1.00 91.73 13 A 1 ATOM 97 C CA . VAL A 1 13 ? 1.600 -2.702 -5.547 1.00 91.30 13 A 1 ATOM 98 C C . VAL A 1 13 ? 0.473 -3.302 -6.380 1.00 91.28 13 A 1 ATOM 99 O O . VAL A 1 13 ? 0.661 -3.641 -7.548 1.00 88.01 13 A 1 ATOM 100 C CB . VAL A 1 13 ? 2.177 -3.773 -4.609 1.00 89.43 13 A 1 ATOM 101 C CG1 . VAL A 1 13 ? 2.596 -4.999 -5.403 1.00 83.07 13 A 1 ATOM 102 C CG2 . VAL A 1 13 ? 3.359 -3.220 -3.835 1.00 86.18 13 A 1 ATOM 103 N N . GLY A 1 14 ? -0.693 -3.434 -5.778 1.00 88.17 14 A 1 ATOM 104 C CA . GLY A 1 14 ? -1.849 -3.985 -6.481 1.00 86.35 14 A 1 ATOM 105 C C . GLY A 1 14 ? -2.249 -3.116 -7.656 1.00 87.95 14 A 1 ATOM 106 O O . GLY A 1 14 ? -2.613 -3.617 -8.720 1.00 86.73 14 A 1 ATOM 107 N N . SER A 1 15 ? -2.167 -1.813 -7.486 1.00 88.45 15 A 1 ATOM 108 C CA . SER A 1 15 ? -2.508 -0.863 -8.546 1.00 88.16 15 A 1 ATOM 109 C C . SER A 1 15 ? -1.539 -0.989 -9.716 1.00 88.70 15 A 1 ATOM 110 O O . SER A 1 15 ? -1.932 -0.881 -10.874 1.00 86.10 15 A 1 ATOM 111 C CB . SER A 1 15 ? -2.467 0.561 -8.001 1.00 84.94 15 A 1 ATOM 112 O OG . SER A 1 15 ? -2.864 1.472 -8.990 1.00 74.94 15 A 1 ATOM 113 N N . ALA A 1 16 ? -0.275 -1.222 -9.420 1.00 88.77 16 A 1 ATOM 114 C CA . ALA A 1 16 ? 0.754 -1.369 -10.451 1.00 88.73 16 A 1 ATOM 115 C C . ALA A 1 16 ? 0.435 -2.547 -11.367 1.00 89.67 16 A 1 ATOM 116 O O . ALA A 1 16 ? 0.641 -2.483 -12.576 1.00 86.74 16 A 1 ATOM 117 C CB . ALA A 1 16 ? 2.113 -1.575 -9.796 1.00 86.35 16 A 1 ATOM 118 N N . VAL A 1 17 ? -0.054 -3.629 -10.797 1.00 91.44 17 A 1 ATOM 119 C CA . VAL A 1 17 ? -0.411 -4.822 -11.567 1.00 91.07 17 A 1 ATOM 120 C C . VAL A 1 17 ? -1.587 -4.538 -12.494 1.00 91.52 17 A 1 ATOM 121 O O . VAL A 1 17 ? -1.643 -5.038 -13.618 1.00 88.45 17 A 1 ATOM 122 C CB . VAL A 1 17 ? -0.769 -5.980 -10.626 1.00 87.98 17 A 1 ATOM 123 C CG1 . VAL A 1 17 ? -1.196 -7.201 -11.427 1.00 79.20 17 A 1 ATOM 124 C CG2 . VAL A 1 17 ? 0.409 -6.319 -9.732 1.00 81.15 17 A 1 ATOM 125 N N . GLN A 1 18 ? -2.514 -3.740 -12.018 1.00 87.07 18 A 1 ATOM 126 C CA . GLN A 1 18 ? -3.699 -3.380 -12.799 1.00 86.16 18 A 1 ATOM 127 C C . GLN A 1 18 ? -3.362 -2.408 -13.922 1.00 85.22 18 A 1 ATOM 128 O O . GLN A 1 18 ? -4.042 -2.377 -14.948 1.00 80.85 18 A 1 ATOM 129 C CB . GLN A 1 18 ? -4.750 -2.751 -11.883 1.00 82.78 18 A 1 ATOM 130 C CG . GLN A 1 18 ? -5.915 -2.192 -12.667 1.00 77.73 18 A 1 ATOM 131 C CD . GLN A 1 18 ? -7.195 -2.973 -12.437 1.00 75.13 18 A 1 ATOM 132 O OE1 . GLN A 1 18 ? -8.130 -2.462 -11.854 1.00 69.47 18 A 1 ATOM 133 N NE2 . GLN A 1 18 ? -7.251 -4.200 -12.909 1.00 66.88 18 A 1 ATOM 134 N N . SER A 1 19 ? -2.325 -1.624 -13.735 1.00 83.97 19 A 1 ATOM 135 C CA . SER A 1 19 ? -1.925 -0.625 -14.730 1.00 81.25 19 A 1 ATOM 136 C C . SER A 1 19 ? -1.764 -1.236 -16.124 1.00 77.50 19 A 1 ATOM 137 O O . SER A 1 19 ? -1.831 -2.467 -16.256 1.00 71.10 19 A 1 ATOM 138 C CB . SER A 1 19 ? -0.614 0.034 -14.305 1.00 74.70 19 A 1 ATOM 139 O OG . SER A 1 19 ? 0.460 -0.850 -14.444 1.00 68.61 19 A 1 ATOM 140 O OXT . SER A 1 19 ? -1.583 -0.472 -17.098 1.00 68.60 19 A 1 #