# 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_spkb14603 # _entry.id spkb14603 # 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" "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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 LEU 2 1 n PRO 3 1 n LEU 4 1 n THR 5 1 n MET 6 1 n THR 7 1 n VAL 8 1 n LEU 9 1 n ILE 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n PRO 15 1 n THR 16 1 n GLY 17 1 n GLN 18 1 n ALA 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 @ 2025-07-10 13:17:52)" _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 91.01 _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 78.13 1 1 A LEU 2 2 87.87 1 2 A PRO 3 2 94.61 1 3 A LEU 4 2 94.11 1 4 A THR 5 2 94.40 1 5 A MET 6 2 90.87 1 6 A THR 7 2 93.40 1 7 A VAL 8 2 95.11 1 8 A LEU 9 2 92.89 1 9 A ILE 10 2 94.12 1 10 A LEU 11 2 93.43 1 11 A LEU 12 2 94.41 1 12 A LEU 13 2 94.87 1 13 A LEU 14 2 92.69 1 14 A PRO 15 2 93.90 1 15 A THR 16 2 90.41 1 16 A GLY 17 2 90.17 1 17 A GLN 18 2 83.28 1 18 A ALA 19 2 80.35 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 LEU . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n ALA . 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 ? -9.120 -7.070 -8.312 1.00 84.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.738 -5.919 -7.476 1.00 85.82 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.268 -6.407 -6.104 1.00 86.16 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.304 -7.601 -5.822 1.00 82.62 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.928 -4.958 -7.359 1.00 79.43 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.563 -3.575 -6.852 1.00 74.32 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.904 -2.401 -7.096 1.00 69.73 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.791 -1.459 -5.578 1.00 62.34 1 A 1 ATOM 9 N N . LEU A 1 2 ? -7.814 -5.495 -5.246 1.00 90.33 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -7.256 -5.817 -3.937 1.00 91.70 2 A 1 ATOM 11 C C . LEU A 1 2 ? -8.343 -5.890 -2.866 1.00 93.71 2 A 1 ATOM 12 O O . LEU A 1 2 ? -9.364 -5.212 -2.983 1.00 92.94 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -6.238 -4.748 -3.537 1.00 88.99 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -5.157 -4.454 -4.570 1.00 84.56 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -4.558 -3.080 -4.318 1.00 81.65 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -4.078 -5.528 -4.524 1.00 79.05 2 A 1 ATOM 17 N N . PRO A 1 3 ? -8.131 -6.691 -1.789 1.00 95.10 3 A 1 ATOM 18 C CA . PRO A 1 3 ? -9.002 -6.635 -0.613 1.00 96.02 3 A 1 ATOM 19 C C . PRO A 1 3 ? -8.865 -5.289 0.101 1.00 96.64 3 A 1 ATOM 20 O O . PRO A 1 3 ? -7.858 -4.595 -0.047 1.00 95.55 3 A 1 ATOM 21 C CB . PRO A 1 3 ? -8.513 -7.794 0.270 1.00 94.13 3 A 1 ATOM 22 C CG . PRO A 1 3 ? -7.111 -8.055 -0.179 1.00 91.50 3 A 1 ATOM 23 C CD . PRO A 1 3 ? -7.088 -7.691 -1.648 1.00 93.32 3 A 1 ATOM 24 N N . LEU A 1 4 ? -9.883 -4.924 0.892 1.00 96.81 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -9.971 -3.597 1.511 1.00 96.94 4 A 1 ATOM 26 C C . LEU A 1 4 ? -8.780 -3.310 2.430 1.00 97.27 4 A 1 ATOM 27 O O . LEU A 1 4 ? -8.183 -2.235 2.364 1.00 96.87 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -11.302 -3.483 2.269 1.00 96.58 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -11.852 -2.065 2.389 1.00 91.94 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -13.354 -2.112 2.675 1.00 88.65 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -11.156 -1.271 3.472 1.00 87.81 4 A 1 ATOM 32 N N . THR A 1 5 ? -8.404 -4.283 3.269 1.00 96.34 5 A 1 ATOM 33 C CA . THR A 1 5 ? -7.272 -4.144 4.192 1.00 96.47 5 A 1 ATOM 34 C C . THR A 1 5 ? -5.961 -3.924 3.443 1.00 96.40 5 A 1 ATOM 35 O O . THR A 1 5 ? -5.152 -3.074 3.815 1.00 95.55 5 A 1 ATOM 36 C CB . THR A 1 5 ? -7.143 -5.392 5.082 1.00 95.81 5 A 1 ATOM 37 O OG1 . THR A 1 5 ? -8.397 -5.695 5.679 1.00 91.03 5 A 1 ATOM 38 C CG2 . THR A 1 5 ? -6.113 -5.181 6.180 1.00 89.18 5 A 1 ATOM 39 N N . MET A 1 6 ? -5.753 -4.676 2.375 1.00 96.03 6 A 1 ATOM 40 C CA . MET A 1 6 ? -4.548 -4.558 1.555 1.00 95.36 6 A 1 ATOM 41 C C . MET A 1 6 ? -4.508 -3.210 0.836 1.00 95.63 6 A 1 ATOM 42 O O . MET A 1 6 ? -3.451 -2.598 0.705 1.00 95.21 6 A 1 ATOM 43 C CB . MET A 1 6 ? -4.496 -5.714 0.561 1.00 94.64 6 A 1 ATOM 44 C CG . MET A 1 6 ? -3.093 -6.070 0.118 1.00 90.57 6 A 1 ATOM 45 S SD . MET A 1 6 ? -3.058 -7.624 -0.791 1.00 84.08 6 A 1 ATOM 46 C CE . MET A 1 6 ? -1.288 -7.849 -0.971 1.00 75.41 6 A 1 ATOM 47 N N . THR A 1 7 ? -5.654 -2.741 0.396 1.00 95.34 7 A 1 ATOM 48 C CA . THR A 1 7 ? -5.774 -1.433 -0.250 1.00 95.12 7 A 1 ATOM 49 C C . THR A 1 7 ? -5.381 -0.306 0.705 1.00 95.56 7 A 1 ATOM 50 O O . THR A 1 7 ? -4.674 0.620 0.309 1.00 94.48 7 A 1 ATOM 51 C CB . THR A 1 7 ? -7.204 -1.214 -0.756 1.00 94.23 7 A 1 ATOM 52 O OG1 . THR A 1 7 ? -7.575 -2.276 -1.631 1.00 90.30 7 A 1 ATOM 53 C CG2 . THR A 1 7 ? -7.327 0.098 -1.519 1.00 88.77 7 A 1 ATOM 54 N N . VAL A 1 8 ? -5.803 -0.390 1.960 1.00 95.74 8 A 1 ATOM 55 C CA . VAL A 1 8 ? -5.453 0.609 2.977 1.00 95.82 8 A 1 ATOM 56 C C . VAL A 1 8 ? -3.945 0.628 3.228 1.00 96.12 8 A 1 ATOM 57 O O . VAL A 1 8 ? -3.336 1.696 3.297 1.00 95.44 8 A 1 ATOM 58 C CB . VAL A 1 8 ? -6.220 0.355 4.289 1.00 95.60 8 A 1 ATOM 59 C CG1 . VAL A 1 8 ? -5.757 1.289 5.404 1.00 93.81 8 A 1 ATOM 60 C CG2 . VAL A 1 8 ? -7.715 0.541 4.071 1.00 93.25 8 A 1 ATOM 61 N N . LEU A 1 9 ? -3.330 -0.553 3.340 1.00 95.34 9 A 1 ATOM 62 C CA . LEU A 1 9 ? -1.885 -0.657 3.540 1.00 95.06 9 A 1 ATOM 63 C C . LEU A 1 9 ? -1.105 -0.065 2.365 1.00 95.64 9 A 1 ATOM 64 O O . LEU A 1 9 ? -0.118 0.642 2.565 1.00 95.70 9 A 1 ATOM 65 C CB . LEU A 1 9 ? -1.483 -2.121 3.752 1.00 94.78 9 A 1 ATOM 66 C CG . LEU A 1 9 ? -1.883 -2.699 5.107 1.00 89.82 9 A 1 ATOM 67 C CD1 . LEU A 1 9 ? -1.672 -4.207 5.117 1.00 88.36 9 A 1 ATOM 68 C CD2 . LEU A 1 9 ? -1.071 -2.060 6.229 1.00 88.39 9 A 1 ATOM 69 N N . ILE A 1 10 ? -1.559 -0.327 1.156 1.00 95.10 10 A 1 ATOM 70 C CA . ILE A 1 10 ? -0.926 0.217 -0.042 1.00 94.78 10 A 1 ATOM 71 C C . ILE A 1 10 ? -1.069 1.740 -0.091 1.00 95.42 10 A 1 ATOM 72 O O . ILE A 1 10 ? -0.118 2.447 -0.433 1.00 94.90 10 A 1 ATOM 73 C CB . ILE A 1 10 ? -1.505 -0.464 -1.295 1.00 94.66 10 A 1 ATOM 74 C CG1 . ILE A 1 10 ? -1.005 -1.919 -1.364 1.00 93.66 10 A 1 ATOM 75 C CG2 . ILE A 1 10 ? -1.113 0.284 -2.567 1.00 93.55 10 A 1 ATOM 76 C CD1 . ILE A 1 10 ? -1.760 -2.782 -2.350 1.00 90.92 10 A 1 ATOM 77 N N . LEU A 1 11 ? -2.230 2.252 0.292 1.00 95.53 11 A 1 ATOM 78 C CA . LEU A 1 11 ? -2.457 3.696 0.350 1.00 95.45 11 A 1 ATOM 79 C C . LEU A 1 11 ? -1.602 4.387 1.413 1.00 96.05 11 A 1 ATOM 80 O O . LEU A 1 11 ? -1.359 5.591 1.317 1.00 95.47 11 A 1 ATOM 81 C CB . LEU A 1 11 ? -3.943 3.983 0.610 1.00 95.21 11 A 1 ATOM 82 C CG . LEU A 1 11 ? -4.853 3.724 -0.597 1.00 91.02 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? -6.315 3.752 -0.170 1.00 89.33 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? -4.619 4.756 -1.690 1.00 89.38 11 A 1 ATOM 85 N N . LEU A 1 12 ? -1.139 3.640 2.423 1.00 96.19 12 A 1 ATOM 86 C CA . LEU A 1 12 ? -0.232 4.169 3.437 1.00 96.17 12 A 1 ATOM 87 C C . LEU A 1 12 ? 1.229 4.094 2.991 1.00 96.59 12 A 1 ATOM 88 O O . LEU A 1 12 ? 2.007 5.019 3.239 1.00 95.75 12 A 1 ATOM 89 C CB . LEU A 1 12 ? -0.415 3.394 4.749 1.00 96.06 12 A 1 ATOM 90 C CG . LEU A 1 12 ? -1.721 3.693 5.489 1.00 93.18 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? -1.956 2.655 6.581 1.00 90.61 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? -1.685 5.085 6.103 1.00 90.75 12 A 1 ATOM 93 N N . LEU A 1 13 ? 1.611 2.994 2.331 1.00 96.74 13 A 1 ATOM 94 C CA . LEU A 1 13 ? 3.004 2.741 1.975 1.00 96.61 13 A 1 ATOM 95 C C . LEU A 1 13 ? 3.435 3.446 0.689 1.00 96.65 13 A 1 ATOM 96 O O . LEU A 1 13 ? 4.583 3.879 0.581 1.00 95.52 13 A 1 ATOM 97 C CB . LEU A 1 13 ? 3.238 1.231 1.856 1.00 96.40 13 A 1 ATOM 98 C CG . LEU A 1 13 ? 3.148 0.472 3.183 1.00 94.37 13 A 1 ATOM 99 C CD1 . LEU A 1 13 ? 3.111 -1.031 2.929 1.00 91.61 13 A 1 ATOM 100 C CD2 . LEU A 1 13 ? 4.331 0.810 4.083 1.00 91.07 13 A 1 ATOM 101 N N . LEU A 1 14 ? 2.537 3.582 -0.272 1.00 95.93 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 2.864 4.221 -1.548 1.00 95.43 14 A 1 ATOM 103 C C . LEU A 1 14 ? 3.289 5.687 -1.408 1.00 95.45 14 A 1 ATOM 104 O O . LEU A 1 14 ? 4.309 6.065 -1.987 1.00 94.11 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 1.702 4.087 -2.534 1.00 94.43 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 1.605 2.732 -3.232 1.00 91.18 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 0.337 2.670 -4.075 1.00 87.93 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 2.818 2.479 -4.119 1.00 87.05 14 A 1 ATOM 109 N N . PRO A 1 15 ? 2.562 6.540 -0.647 1.00 95.40 15 A 1 ATOM 110 C CA . PRO A 1 15 ? 3.008 7.933 -0.471 1.00 94.79 15 A 1 ATOM 111 C C . PRO A 1 15 ? 4.327 8.045 0.280 1.00 94.67 15 A 1 ATOM 112 O O . PRO A 1 15 ? 5.045 9.030 0.111 1.00 92.62 15 A 1 ATOM 113 C CB . PRO A 1 15 ? 1.867 8.595 0.317 1.00 93.18 15 A 1 ATOM 114 C CG . PRO A 1 15 ? 1.135 7.461 0.948 1.00 92.11 15 A 1 ATOM 115 C CD . PRO A 1 15 ? 1.282 6.311 -0.016 1.00 94.54 15 A 1 ATOM 116 N N . THR A 1 16 ? 4.670 7.044 1.097 1.00 94.35 16 A 1 ATOM 117 C CA . THR A 1 16 ? 5.950 7.001 1.808 1.00 93.69 16 A 1 ATOM 118 C C . THR A 1 16 ? 7.096 6.607 0.875 1.00 93.11 16 A 1 ATOM 119 O O . THR A 1 16 ? 8.257 6.921 1.141 1.00 90.04 16 A 1 ATOM 120 C CB . THR A 1 16 ? 5.885 6.014 2.987 1.00 91.94 16 A 1 ATOM 121 O OG1 . THR A 1 16 ? 4.700 6.240 3.741 1.00 85.77 16 A 1 ATOM 122 C CG2 . THR A 1 16 ? 7.073 6.172 3.922 1.00 83.94 16 A 1 ATOM 123 N N . GLY A 1 17 ? 6.776 5.930 -0.225 1.00 91.50 17 A 1 ATOM 124 C CA . GLY A 1 17 ? 7.778 5.486 -1.186 1.00 89.80 17 A 1 ATOM 125 C C . GLY A 1 17 ? 8.530 4.242 -0.753 1.00 90.62 17 A 1 ATOM 126 O O . GLY A 1 17 ? 9.604 3.950 -1.286 1.00 88.76 17 A 1 ATOM 127 N N . GLN A 1 18 ? 7.977 3.504 0.211 1.00 92.75 18 A 1 ATOM 128 C CA . GLN A 1 18 ? 8.584 2.267 0.712 1.00 91.75 18 A 1 ATOM 129 C C . GLN A 1 18 ? 8.328 1.087 -0.219 1.00 90.42 18 A 1 ATOM 130 O O . GLN A 1 18 ? 9.160 0.191 -0.328 1.00 86.35 18 A 1 ATOM 131 C CB . GLN A 1 18 ? 8.044 1.943 2.111 1.00 89.24 18 A 1 ATOM 132 C CG . GLN A 1 18 ? 8.585 2.853 3.199 1.00 83.02 18 A 1 ATOM 133 C CD . GLN A 1 18 ? 10.042 2.567 3.530 1.00 76.78 18 A 1 ATOM 134 O OE1 . GLN A 1 18 ? 10.593 1.547 3.146 1.00 70.89 18 A 1 ATOM 135 N NE2 . GLN A 1 18 ? 10.681 3.459 4.257 1.00 68.34 18 A 1 ATOM 136 N N . ALA A 1 19 ? 7.174 1.082 -0.881 1.00 87.21 19 A 1 ATOM 137 C CA . ALA A 1 19 ? 6.783 0.003 -1.782 1.00 84.68 19 A 1 ATOM 138 C C . ALA A 1 19 ? 7.479 0.156 -3.133 1.00 80.88 19 A 1 ATOM 139 O O . ALA A 1 19 ? 7.143 1.082 -3.888 1.00 77.02 19 A 1 ATOM 140 C CB . ALA A 1 19 ? 5.270 -0.027 -1.942 1.00 79.87 19 A 1 ATOM 141 O OXT . ALA A 1 19 ? 8.367 -0.674 -3.439 1.00 72.43 19 A 1 #