# 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_spkb26597 # _entry.id spkb26597 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 LYS 2 1 n LYS 3 1 n TRP 4 1 n PHE 5 1 n VAL 6 1 n CYS 7 1 n LEU 8 1 n LEU 9 1 n GLY 10 1 n LEU 11 1 n VAL 12 1 n ALA 13 1 n LEU 14 1 n THR 15 1 n VAL 16 1 n GLN 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 @ 2025-07-13 06:32:21)" _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 89.73 _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 80.11 1 1 A LYS 2 2 82.80 1 2 A LYS 3 2 85.12 1 3 A TRP 4 2 86.46 1 4 A PHE 5 2 90.27 1 5 A VAL 6 2 95.49 1 6 A CYS 7 2 95.54 1 7 A LEU 8 2 93.36 1 8 A LEU 9 2 92.50 1 9 A GLY 10 2 96.01 1 10 A LEU 11 2 91.92 1 11 A VAL 12 2 94.98 1 12 A ALA 13 2 96.41 1 13 A LEU 14 2 92.35 1 14 A THR 15 2 91.95 1 15 A VAL 16 2 92.02 1 16 A GLN 17 2 84.03 1 17 A ALA 18 2 86.54 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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n GLN . 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 ? -3.371 4.877 11.907 1.00 85.89 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.867 3.526 12.248 1.00 87.81 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.831 3.055 11.225 1.00 89.66 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.904 3.412 10.055 1.00 85.86 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.028 2.543 12.273 1.00 81.44 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.137 2.984 13.229 1.00 75.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.565 3.102 14.915 1.00 71.67 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.073 3.531 15.745 1.00 63.29 1 A 1 ATOM 9 N N . LYS A 1 2 ? -0.882 2.258 11.691 1.00 91.77 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 0.159 1.736 10.809 1.00 92.86 2 A 1 ATOM 11 C C . LYS A 1 2 ? -0.379 0.632 9.902 1.00 94.00 2 A 1 ATOM 12 O O . LYS A 1 2 ? 0.138 0.422 8.802 1.00 91.57 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 1.333 1.211 11.645 1.00 89.69 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 0.888 0.475 12.903 1.00 79.20 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 1.971 0.499 13.959 1.00 77.36 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 2.534 -0.885 14.196 1.00 67.89 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 3.689 -0.836 15.124 1.00 60.83 2 A 1 ATOM 18 N N . LYS A 1 3 ? -1.394 -0.042 10.366 1.00 92.15 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -2.007 -1.122 9.585 1.00 93.71 3 A 1 ATOM 20 C C . LYS A 1 3 ? -2.581 -0.583 8.275 1.00 94.77 3 A 1 ATOM 21 O O . LYS A 1 3 ? -2.470 -1.221 7.226 1.00 93.30 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -3.102 -1.795 10.413 1.00 91.88 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -2.862 -3.273 10.632 1.00 84.48 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -3.728 -4.112 9.723 1.00 80.54 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -3.469 -5.595 9.861 1.00 71.20 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -4.689 -6.365 10.209 1.00 64.01 3 A 1 ATOM 27 N N . TRP A 1 4 ? -3.176 0.596 8.348 1.00 92.06 4 A 1 ATOM 28 C CA . TRP A 1 4 ? -3.742 1.232 7.164 1.00 93.01 4 A 1 ATOM 29 C C . TRP A 1 4 ? -2.648 1.625 6.187 1.00 94.45 4 A 1 ATOM 30 O O . TRP A 1 4 ? -2.869 1.646 4.975 1.00 92.40 4 A 1 ATOM 31 C CB . TRP A 1 4 ? -4.547 2.468 7.573 1.00 92.25 4 A 1 ATOM 32 C CG . TRP A 1 4 ? -5.899 2.117 8.108 1.00 88.80 4 A 1 ATOM 33 C CD1 . TRP A 1 4 ? -6.269 2.062 9.407 1.00 82.87 4 A 1 ATOM 34 C CD2 . TRP A 1 4 ? -7.078 1.768 7.338 1.00 88.69 4 A 1 ATOM 35 N NE1 . TRP A 1 4 ? -7.600 1.702 9.498 1.00 81.82 4 A 1 ATOM 36 C CE2 . TRP A 1 4 ? -8.115 1.512 8.241 1.00 88.79 4 A 1 ATOM 37 C CE3 . TRP A 1 4 ? -7.326 1.660 5.967 1.00 82.33 4 A 1 ATOM 38 C CZ2 . TRP A 1 4 ? -9.392 1.152 7.807 1.00 83.44 4 A 1 ATOM 39 C CZ3 . TRP A 1 4 ? -8.600 1.304 5.539 1.00 74.15 4 A 1 ATOM 40 C CH2 . TRP A 1 4 ? -9.617 1.049 6.457 1.00 75.37 4 A 1 ATOM 41 N N . PHE A 1 5 ? -1.472 1.927 6.726 1.00 92.93 5 A 1 ATOM 42 C CA . PHE A 1 5 ? -0.338 2.313 5.895 1.00 93.93 5 A 1 ATOM 43 C C . PHE A 1 5 ? 0.057 1.172 4.969 1.00 95.43 5 A 1 ATOM 44 O O . PHE A 1 5 ? 0.332 1.387 3.787 1.00 94.92 5 A 1 ATOM 45 C CB . PHE A 1 5 ? 0.847 2.706 6.776 1.00 93.83 5 A 1 ATOM 46 C CG . PHE A 1 5 ? 0.859 4.176 7.111 1.00 90.29 5 A 1 ATOM 47 C CD1 . PHE A 1 5 ? 0.055 4.684 8.116 1.00 85.81 5 A 1 ATOM 48 C CD2 . PHE A 1 5 ? 1.676 5.044 6.400 1.00 87.12 5 A 1 ATOM 49 C CE1 . PHE A 1 5 ? 0.062 6.040 8.408 1.00 85.52 5 A 1 ATOM 50 C CE2 . PHE A 1 5 ? 1.688 6.400 6.694 1.00 86.54 5 A 1 ATOM 51 C CZ . PHE A 1 5 ? 0.881 6.899 7.699 1.00 86.65 5 A 1 ATOM 52 N N . VAL A 1 6 ? 0.090 -0.024 5.511 1.00 96.74 6 A 1 ATOM 53 C CA . VAL A 1 6 ? 0.456 -1.202 4.729 1.00 96.63 6 A 1 ATOM 54 C C . VAL A 1 6 ? -0.595 -1.466 3.655 1.00 96.67 6 A 1 ATOM 55 O O . VAL A 1 6 ? -0.267 -1.795 2.514 1.00 96.05 6 A 1 ATOM 56 C CB . VAL A 1 6 ? 0.604 -2.440 5.633 1.00 96.15 6 A 1 ATOM 57 C CG1 . VAL A 1 6 ? 1.030 -3.651 4.819 1.00 92.90 6 A 1 ATOM 58 C CG2 . VAL A 1 6 ? 1.622 -2.172 6.733 1.00 93.32 6 A 1 ATOM 59 N N . CYS A 1 7 ? -1.846 -1.310 4.038 1.00 96.69 7 A 1 ATOM 60 C CA . CYS A 1 7 ? -2.955 -1.529 3.112 1.00 96.75 7 A 1 ATOM 61 C C . CYS A 1 7 ? -2.947 -0.476 2.003 1.00 97.11 7 A 1 ATOM 62 O O . CYS A 1 7 ? -3.214 -0.778 0.840 1.00 96.49 7 A 1 ATOM 63 C CB . CYS A 1 7 ? -4.279 -1.476 3.875 1.00 96.27 7 A 1 ATOM 64 S SG . CYS A 1 7 ? -5.508 -2.598 3.176 1.00 89.94 7 A 1 ATOM 65 N N . LEU A 1 8 ? -2.641 0.754 2.389 1.00 95.28 8 A 1 ATOM 66 C CA . LEU A 1 8 ? -2.591 1.856 1.432 1.00 95.98 8 A 1 ATOM 67 C C . LEU A 1 8 ? -1.458 1.659 0.438 1.00 96.79 8 A 1 ATOM 68 O O . LEU A 1 8 ? -1.634 1.852 -0.768 1.00 96.67 8 A 1 ATOM 69 C CB . LEU A 1 8 ? -2.413 3.182 2.182 1.00 95.97 8 A 1 ATOM 70 C CG . LEU A 1 8 ? -3.187 4.340 1.568 1.00 92.03 8 A 1 ATOM 71 C CD1 . LEU A 1 8 ? -3.987 5.070 2.644 1.00 86.66 8 A 1 ATOM 72 C CD2 . LEU A 1 8 ? -2.243 5.308 0.880 1.00 87.49 8 A 1 ATOM 73 N N . LEU A 1 9 ? -0.292 1.283 0.950 1.00 96.44 9 A 1 ATOM 74 C CA . LEU A 1 9 ? 0.871 1.048 0.097 1.00 96.11 9 A 1 ATOM 75 C C . LEU A 1 9 ? 0.607 -0.105 -0.862 1.00 96.36 9 A 1 ATOM 76 O O . LEU A 1 9 ? 1.005 -0.055 -2.031 1.00 95.73 9 A 1 ATOM 77 C CB . LEU A 1 9 ? 2.096 0.747 0.967 1.00 95.62 9 A 1 ATOM 78 C CG . LEU A 1 9 ? 2.946 1.981 1.267 1.00 89.63 9 A 1 ATOM 79 C CD1 . LEU A 1 9 ? 3.774 1.777 2.527 1.00 84.60 9 A 1 ATOM 80 C CD2 . LEU A 1 9 ? 3.859 2.269 0.080 1.00 85.51 9 A 1 ATOM 81 N N . GLY A 1 10 ? -0.044 -1.125 -0.354 1.00 96.06 10 A 1 ATOM 82 C CA . GLY A 1 10 ? -0.374 -2.287 -1.176 1.00 95.59 10 A 1 ATOM 83 C C . GLY A 1 10 ? -1.321 -1.917 -2.302 1.00 96.43 10 A 1 ATOM 84 O O . GLY A 1 10 ? -1.189 -2.399 -3.426 1.00 95.94 10 A 1 ATOM 85 N N . LEU A 1 11 ? -2.264 -1.049 -1.996 1.00 95.38 11 A 1 ATOM 86 C CA . LEU A 1 11 ? -3.234 -0.595 -2.988 1.00 95.38 11 A 1 ATOM 87 C C . LEU A 1 11 ? -2.548 0.209 -4.082 1.00 96.10 11 A 1 ATOM 88 O O . LEU A 1 11 ? -2.855 0.053 -5.267 1.00 95.27 11 A 1 ATOM 89 C CB . LEU A 1 11 ? -4.306 0.263 -2.308 1.00 94.95 11 A 1 ATOM 90 C CG . LEU A 1 11 ? -5.577 0.410 -3.139 1.00 89.97 11 A 1 ATOM 91 C CD1 . LEU A 1 11 ? -6.441 -0.841 -3.003 1.00 83.78 11 A 1 ATOM 92 C CD2 . LEU A 1 11 ? -6.356 1.636 -2.708 1.00 84.54 11 A 1 ATOM 93 N N . VAL A 1 12 ? -1.627 1.070 -3.686 1.00 96.77 12 A 1 ATOM 94 C CA . VAL A 1 12 ? -0.885 1.898 -4.637 1.00 96.31 12 A 1 ATOM 95 C C . VAL A 1 12 ? -0.068 1.016 -5.568 1.00 96.54 12 A 1 ATOM 96 O O . VAL A 1 12 ? -0.022 1.254 -6.779 1.00 95.84 12 A 1 ATOM 97 C CB . VAL A 1 12 ? 0.041 2.883 -3.898 1.00 95.45 12 A 1 ATOM 98 C CG1 . VAL A 1 12 ? 0.893 3.669 -4.887 1.00 91.72 12 A 1 ATOM 99 C CG2 . VAL A 1 12 ? -0.777 3.837 -3.046 1.00 92.26 12 A 1 ATOM 100 N N . ALA A 1 13 ? 0.576 0.016 -5.000 1.00 96.89 13 A 1 ATOM 101 C CA . ALA A 1 13 ? 1.401 -0.902 -5.784 1.00 96.71 13 A 1 ATOM 102 C C . ALA A 1 13 ? 0.543 -1.668 -6.789 1.00 96.80 13 A 1 ATOM 103 O O . ALA A 1 13 ? 0.953 -1.882 -7.929 1.00 95.48 13 A 1 ATOM 104 C CB . ALA A 1 13 ? 2.123 -1.873 -4.858 1.00 96.19 13 A 1 ATOM 105 N N . LEU A 1 14 ? -0.637 -2.061 -6.361 1.00 96.36 14 A 1 ATOM 106 C CA . LEU A 1 14 ? -1.556 -2.800 -7.226 1.00 95.79 14 A 1 ATOM 107 C C . LEU A 1 14 ? -2.063 -1.912 -8.353 1.00 95.98 14 A 1 ATOM 108 O O . LEU A 1 14 ? -2.215 -2.359 -9.492 1.00 94.56 14 A 1 ATOM 109 C CB . LEU A 1 14 ? -2.731 -3.326 -6.397 1.00 95.44 14 A 1 ATOM 110 C CG . LEU A 1 14 ? -2.911 -4.839 -6.489 1.00 91.22 14 A 1 ATOM 111 C CD1 . LEU A 1 14 ? -3.315 -5.412 -5.142 1.00 84.43 14 A 1 ATOM 112 C CD2 . LEU A 1 14 ? -3.944 -5.183 -7.543 1.00 84.98 14 A 1 ATOM 113 N N . THR A 1 15 ? -2.303 -0.655 -8.038 1.00 95.86 15 A 1 ATOM 114 C CA . THR A 1 15 ? -2.777 0.311 -9.028 1.00 95.23 15 A 1 ATOM 115 C C . THR A 1 15 ? -1.722 0.533 -10.104 1.00 95.40 15 A 1 ATOM 116 O O . THR A 1 15 ? -2.044 0.604 -11.295 1.00 93.40 15 A 1 ATOM 117 C CB . THR A 1 15 ? -3.110 1.644 -8.345 1.00 93.92 15 A 1 ATOM 118 O OG1 . THR A 1 15 ? -3.995 1.412 -7.255 1.00 86.27 15 A 1 ATOM 119 C CG2 . THR A 1 15 ? -3.794 2.590 -9.321 1.00 83.58 15 A 1 ATOM 120 N N . VAL A 1 16 ? -0.475 0.654 -9.683 1.00 95.65 16 A 1 ATOM 121 C CA . VAL A 1 16 ? 0.631 0.864 -10.620 1.00 94.84 16 A 1 ATOM 122 C C . VAL A 1 16 ? 0.853 -0.384 -11.461 1.00 94.84 16 A 1 ATOM 123 O O . VAL A 1 16 ? 1.092 -0.294 -12.668 1.00 92.51 16 A 1 ATOM 124 C CB . VAL A 1 16 ? 1.923 1.229 -9.868 1.00 93.33 16 A 1 ATOM 125 C CG1 . VAL A 1 16 ? 3.093 1.347 -10.837 1.00 86.22 16 A 1 ATOM 126 C CG2 . VAL A 1 16 ? 1.745 2.535 -9.116 1.00 86.72 16 A 1 ATOM 127 N N . GLN A 1 17 ? 0.778 -1.527 -10.806 1.00 93.90 17 A 1 ATOM 128 C CA . GLN A 1 17 ? 0.975 -2.800 -11.496 1.00 92.69 17 A 1 ATOM 129 C C . GLN A 1 17 ? -0.096 -3.012 -12.550 1.00 92.28 17 A 1 ATOM 130 O O . GLN A 1 17 ? 0.203 -3.360 -13.691 1.00 87.08 17 A 1 ATOM 131 C CB . GLN A 1 17 ? 0.955 -3.952 -10.490 1.00 90.08 17 A 1 ATOM 132 C CG . GLN A 1 17 ? 2.260 -4.726 -10.470 1.00 81.43 17 A 1 ATOM 133 C CD . GLN A 1 17 ? 2.278 -5.825 -11.514 1.00 77.71 17 A 1 ATOM 134 O OE1 . GLN A 1 17 ? 1.854 -5.645 -12.642 1.00 72.22 17 A 1 ATOM 135 N NE2 . GLN A 1 17 ? 2.779 -6.995 -11.148 1.00 68.89 17 A 1 ATOM 136 N N . ALA A 1 18 ? -1.336 -2.774 -12.147 1.00 92.99 18 A 1 ATOM 137 C CA . ALA A 1 18 ? -2.480 -2.919 -13.057 1.00 91.20 18 A 1 ATOM 138 C C . ALA A 1 18 ? -2.426 -4.261 -13.790 1.00 88.87 18 A 1 ATOM 139 O O . ALA A 1 18 ? -1.936 -4.335 -14.921 1.00 82.30 18 A 1 ATOM 140 C CB . ALA A 1 18 ? -2.505 -1.776 -14.054 1.00 86.87 18 A 1 ATOM 141 O OXT . ALA A 1 18 ? -2.882 -5.269 -13.199 1.00 76.99 18 A 1 #