# 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_spkb29081 # _entry.id spkb29081 # 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" "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" "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 LYS 2 1 n PHE 3 1 n ALA 4 1 n VAL 5 1 n ALA 6 1 n VAL 7 1 n ILE 8 1 n PHE 9 1 n THR 10 1 n LEU 11 1 n ALA 12 1 n LEU 13 1 n ALA 14 1 n MET 15 1 n GLY 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 11:37:24)" _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 95.42 _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 91.32 1 1 A LYS 2 2 91.34 1 2 A PHE 3 2 95.78 1 3 A ALA 4 2 98.58 1 4 A VAL 5 2 97.88 1 5 A ALA 6 2 98.48 1 6 A VAL 7 2 98.08 1 7 A ILE 8 2 96.96 1 8 A PHE 9 2 95.84 1 9 A THR 10 2 97.11 1 10 A LEU 11 2 96.73 1 11 A ALA 12 2 98.60 1 12 A LEU 13 2 96.83 1 13 A ALA 14 2 98.70 1 14 A MET 15 2 94.75 1 15 A GLY 16 2 97.96 1 16 A VAL 17 2 97.55 1 17 A GLN 18 2 91.23 1 18 A SER 19 2 85.95 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 LYS . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n GLY . 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 ? 8.721 11.489 7.115 1.00 96.31 1 A 1 ATOM 2 C CA . MET A 1 1 ? 8.198 10.129 7.330 1.00 96.83 1 A 1 ATOM 3 C C . MET A 1 1 ? 7.520 9.609 6.062 1.00 97.27 1 A 1 ATOM 4 O O . MET A 1 1 ? 6.386 9.972 5.770 1.00 95.52 1 A 1 ATOM 5 C CB . MET A 1 1 ? 7.202 10.126 8.486 1.00 94.43 1 A 1 ATOM 6 C CG . MET A 1 1 ? 7.873 10.305 9.838 1.00 89.52 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.742 10.923 11.085 1.00 85.78 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.864 11.266 12.418 1.00 74.88 1 A 1 ATOM 9 N N . LYS A 1 2 ? 8.232 8.779 5.335 1.00 97.11 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 7.725 8.245 4.073 1.00 97.74 2 A 1 ATOM 11 C C . LYS A 1 2 ? 7.319 6.771 4.209 1.00 98.06 2 A 1 ATOM 12 O O . LYS A 1 2 ? 6.811 6.171 3.265 1.00 97.67 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 8.792 8.409 2.987 1.00 96.84 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 8.235 8.892 1.673 1.00 91.05 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 9.117 8.508 0.508 1.00 88.01 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 8.458 8.756 -0.825 1.00 81.46 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 9.340 9.498 -1.765 1.00 74.15 2 A 1 ATOM 18 N N . PHE A 1 3 ? 7.542 6.216 5.395 1.00 98.06 3 A 1 ATOM 19 C CA . PHE A 1 3 ? 7.218 4.816 5.654 1.00 98.42 3 A 1 ATOM 20 C C . PHE A 1 3 ? 5.709 4.588 5.666 1.00 98.67 3 A 1 ATOM 21 O O . PHE A 1 3 ? 5.237 3.471 5.457 1.00 98.40 3 A 1 ATOM 22 C CB . PHE A 1 3 ? 7.821 4.381 6.991 1.00 98.09 3 A 1 ATOM 23 C CG . PHE A 1 3 ? 8.648 3.127 6.878 1.00 96.53 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? 8.033 1.888 6.783 1.00 94.19 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? 10.032 3.200 6.866 1.00 94.29 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? 8.784 0.727 6.676 1.00 92.84 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? 10.795 2.045 6.762 1.00 92.64 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? 10.172 0.806 6.668 1.00 91.48 3 A 1 ATOM 29 N N . ALA A 1 4 ? 4.961 5.666 5.899 1.00 98.52 4 A 1 ATOM 30 C CA . ALA A 1 4 ? 3.505 5.593 5.928 1.00 98.65 4 A 1 ATOM 31 C C . ALA A 1 4 ? 2.951 5.134 4.585 1.00 98.71 4 A 1 ATOM 32 O O . ALA A 1 4 ? 1.916 4.477 4.525 1.00 98.51 4 A 1 ATOM 33 C CB . ALA A 1 4 ? 2.928 6.951 6.304 1.00 98.51 4 A 1 ATOM 34 N N . VAL A 1 5 ? 3.644 5.479 3.519 1.00 98.53 5 A 1 ATOM 35 C CA . VAL A 1 5 ? 3.237 5.098 2.168 1.00 98.50 5 A 1 ATOM 36 C C . VAL A 1 5 ? 3.354 3.588 1.975 1.00 98.49 5 A 1 ATOM 37 O O . VAL A 1 5 ? 2.484 2.960 1.373 1.00 98.22 5 A 1 ATOM 38 C CB . VAL A 1 5 ? 4.085 5.828 1.113 1.00 98.22 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? 3.615 5.481 -0.292 1.00 96.67 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? 4.027 7.334 1.325 1.00 96.51 5 A 1 ATOM 41 N N . ALA A 1 6 ? 4.434 3.023 2.493 1.00 98.53 6 A 1 ATOM 42 C CA . ALA A 1 6 ? 4.670 1.589 2.381 1.00 98.55 6 A 1 ATOM 43 C C . ALA A 1 6 ? 3.698 0.800 3.252 1.00 98.58 6 A 1 ATOM 44 O O . ALA A 1 6 ? 3.239 -0.275 2.867 1.00 98.33 6 A 1 ATOM 45 C CB . ALA A 1 6 ? 6.109 1.271 2.771 1.00 98.39 6 A 1 ATOM 46 N N . VAL A 1 7 ? 3.389 1.348 4.416 1.00 98.58 7 A 1 ATOM 47 C CA . VAL A 1 7 ? 2.470 0.703 5.353 1.00 98.60 7 A 1 ATOM 48 C C . VAL A 1 7 ? 1.041 0.738 4.823 1.00 98.60 7 A 1 ATOM 49 O O . VAL A 1 7 ? 0.315 -0.252 4.907 1.00 98.41 7 A 1 ATOM 50 C CB . VAL A 1 7 ? 2.539 1.372 6.738 1.00 98.45 7 A 1 ATOM 51 C CG1 . VAL A 1 7 ? 1.541 0.742 7.698 1.00 97.19 7 A 1 ATOM 52 C CG2 . VAL A 1 7 ? 3.944 1.264 7.314 1.00 96.70 7 A 1 ATOM 53 N N . ILE A 1 8 ? 0.649 1.884 4.286 1.00 98.36 8 A 1 ATOM 54 C CA . ILE A 1 8 ? -0.699 2.047 3.754 1.00 98.16 8 A 1 ATOM 55 C C . ILE A 1 8 ? -0.920 1.156 2.533 1.00 98.12 8 A 1 ATOM 56 O O . ILE A 1 8 ? -2.029 0.680 2.289 1.00 97.94 8 A 1 ATOM 57 C CB . ILE A 1 8 ? -0.976 3.531 3.412 1.00 98.06 8 A 1 ATOM 58 C CG1 . ILE A 1 8 ? -2.471 3.789 3.269 1.00 96.88 8 A 1 ATOM 59 C CG2 . ILE A 1 8 ? -0.240 3.944 2.137 1.00 96.26 8 A 1 ATOM 60 C CD1 . ILE A 1 8 ? -3.052 4.586 4.393 1.00 91.87 8 A 1 ATOM 61 N N . PHE A 1 9 ? 0.141 0.947 1.781 1.00 98.18 9 A 1 ATOM 62 C CA . PHE A 1 9 ? 0.089 0.109 0.589 1.00 98.01 9 A 1 ATOM 63 C C . PHE A 1 9 ? -0.084 -1.355 0.966 1.00 98.24 9 A 1 ATOM 64 O O . PHE A 1 9 ? -0.872 -2.077 0.356 1.00 98.12 9 A 1 ATOM 65 C CB . PHE A 1 9 ? 1.367 0.299 -0.225 1.00 97.71 9 A 1 ATOM 66 C CG . PHE A 1 9 ? 1.111 0.476 -1.698 1.00 96.30 9 A 1 ATOM 67 C CD1 . PHE A 1 9 ? 0.561 1.652 -2.183 1.00 93.66 9 A 1 ATOM 68 C CD2 . PHE A 1 9 ? 1.437 -0.533 -2.592 1.00 94.21 9 A 1 ATOM 69 C CE1 . PHE A 1 9 ? 0.327 1.821 -3.538 1.00 93.19 9 A 1 ATOM 70 C CE2 . PHE A 1 9 ? 1.208 -0.372 -3.954 1.00 93.22 9 A 1 ATOM 71 C CZ . PHE A 1 9 ? 0.651 0.808 -4.427 1.00 93.44 9 A 1 ATOM 72 N N . THR A 1 10 ? 0.657 -1.772 1.973 1.00 98.32 10 A 1 ATOM 73 C CA . THR A 1 10 ? 0.593 -3.150 2.452 1.00 98.39 10 A 1 ATOM 74 C C . THR A 1 10 ? -0.756 -3.431 3.107 1.00 98.54 10 A 1 ATOM 75 O O . THR A 1 10 ? -1.309 -4.521 2.965 1.00 98.30 10 A 1 ATOM 76 C CB . THR A 1 10 ? 1.724 -3.427 3.454 1.00 98.17 10 A 1 ATOM 77 O OG1 . THR A 1 10 ? 2.963 -3.001 2.908 1.00 94.81 10 A 1 ATOM 78 C CG2 . THR A 1 10 ? 1.829 -4.907 3.779 1.00 93.21 10 A 1 ATOM 79 N N . LEU A 1 11 ? -1.272 -2.439 3.818 1.00 98.54 11 A 1 ATOM 80 C CA . LEU A 1 11 ? -2.556 -2.567 4.500 1.00 98.45 11 A 1 ATOM 81 C C . LEU A 1 11 ? -3.693 -2.712 3.496 1.00 98.57 11 A 1 ATOM 82 O O . LEU A 1 11 ? -4.617 -3.498 3.699 1.00 98.41 11 A 1 ATOM 83 C CB . LEU A 1 11 ? -2.792 -1.350 5.395 1.00 98.17 11 A 1 ATOM 84 C CG . LEU A 1 11 ? -2.979 -1.685 6.873 1.00 95.06 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? -2.192 -0.725 7.747 1.00 93.13 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? -4.447 -1.658 7.238 1.00 93.52 11 A 1 ATOM 87 N N . ALA A 1 12 ? -3.609 -1.957 2.417 1.00 98.66 12 A 1 ATOM 88 C CA . ALA A 1 12 ? -4.625 -2.007 1.371 1.00 98.65 12 A 1 ATOM 89 C C . ALA A 1 12 ? -4.647 -3.374 0.691 1.00 98.72 12 A 1 ATOM 90 O O . ALA A 1 12 ? -5.701 -3.859 0.289 1.00 98.50 12 A 1 ATOM 91 C CB . ALA A 1 12 ? -4.358 -0.916 0.345 1.00 98.46 12 A 1 ATOM 92 N N . LEU A 1 13 ? -3.482 -3.980 0.582 1.00 98.67 13 A 1 ATOM 93 C CA . LEU A 1 13 ? -3.353 -5.294 -0.036 1.00 98.60 13 A 1 ATOM 94 C C . LEU A 1 13 ? -3.910 -6.377 0.877 1.00 98.69 13 A 1 ATOM 95 O O . LEU A 1 13 ? -4.538 -7.331 0.416 1.00 98.50 13 A 1 ATOM 96 C CB . LEU A 1 13 ? -1.882 -5.568 -0.352 1.00 98.31 13 A 1 ATOM 97 C CG . LEU A 1 13 ? -1.639 -6.143 -1.739 1.00 95.40 13 A 1 ATOM 98 C CD1 . LEU A 1 13 ? -0.587 -5.332 -2.477 1.00 93.17 13 A 1 ATOM 99 C CD2 . LEU A 1 13 ? -1.229 -7.597 -1.656 1.00 93.31 13 A 1 ATOM 100 N N . ALA A 1 14 ? -3.675 -6.222 2.173 1.00 98.79 14 A 1 ATOM 101 C CA . ALA A 1 14 ? -4.147 -7.176 3.169 1.00 98.77 14 A 1 ATOM 102 C C . ALA A 1 14 ? -5.661 -7.103 3.342 1.00 98.79 14 A 1 ATOM 103 O O . ALA A 1 14 ? -6.288 -8.070 3.761 1.00 98.55 14 A 1 ATOM 104 C CB . ALA A 1 14 ? -3.448 -6.919 4.502 1.00 98.58 14 A 1 ATOM 105 N N . MET A 1 15 ? -6.243 -5.961 3.005 1.00 98.59 15 A 1 ATOM 106 C CA . MET A 1 15 ? -7.686 -5.740 3.132 1.00 98.47 15 A 1 ATOM 107 C C . MET A 1 15 ? -8.490 -6.586 2.151 1.00 98.55 15 A 1 ATOM 108 O O . MET A 1 15 ? -9.708 -6.662 2.248 1.00 98.13 15 A 1 ATOM 109 C CB . MET A 1 15 ? -8.011 -4.260 2.933 1.00 98.08 15 A 1 ATOM 110 C CG . MET A 1 15 ? -8.236 -3.541 4.252 1.00 95.44 15 A 1 ATOM 111 S SD . MET A 1 15 ? -9.974 -3.267 4.560 1.00 90.64 15 A 1 ATOM 112 C CE . MET A 1 15 ? -9.977 -3.193 6.347 1.00 80.14 15 A 1 ATOM 113 N N . GLY A 1 16 ? -7.817 -7.212 1.227 1.00 98.18 16 A 1 ATOM 114 C CA . GLY A 1 16 ? -8.488 -8.052 0.241 1.00 98.02 16 A 1 ATOM 115 C C . GLY A 1 16 ? -8.159 -7.656 -1.182 1.00 98.14 16 A 1 ATOM 116 O O . GLY A 1 16 ? -9.010 -7.747 -2.068 1.00 97.49 16 A 1 ATOM 117 N N . VAL A 1 17 ? -6.922 -7.226 -1.373 1.00 98.45 17 A 1 ATOM 118 C CA . VAL A 1 17 ? -6.444 -6.798 -2.690 1.00 98.39 17 A 1 ATOM 119 C C . VAL A 1 17 ? -7.275 -5.648 -3.254 1.00 98.44 17 A 1 ATOM 120 O O . VAL A 1 17 ? -8.353 -5.854 -3.810 1.00 97.94 17 A 1 ATOM 121 C CB . VAL A 1 17 ? -6.435 -7.970 -3.682 1.00 98.03 17 A 1 ATOM 122 C CG1 . VAL A 1 17 ? -5.774 -7.553 -4.986 1.00 95.94 17 A 1 ATOM 123 C CG2 . VAL A 1 17 ? -5.731 -9.179 -3.091 1.00 95.67 17 A 1 ATOM 124 N N . GLN A 1 18 ? -6.752 -4.430 -3.091 1.00 97.77 18 A 1 ATOM 125 C CA . GLN A 1 18 ? -7.442 -3.241 -3.592 1.00 97.41 18 A 1 ATOM 126 C C . GLN A 1 18 ? -6.460 -2.335 -4.322 1.00 96.86 18 A 1 ATOM 127 O O . GLN A 1 18 ? -5.459 -1.903 -3.746 1.00 93.58 18 A 1 ATOM 128 C CB . GLN A 1 18 ? -8.108 -2.482 -2.446 1.00 96.16 18 A 1 ATOM 129 C CG . GLN A 1 18 ? -9.607 -2.618 -2.441 1.00 91.02 18 A 1 ATOM 130 C CD . GLN A 1 18 ? -10.305 -1.395 -1.898 1.00 87.80 18 A 1 ATOM 131 O OE1 . GLN A 1 18 ? -10.726 -0.527 -2.649 1.00 81.12 18 A 1 ATOM 132 N NE2 . GLN A 1 18 ? -10.428 -1.294 -0.585 1.00 79.37 18 A 1 ATOM 133 N N . SER A 1 19 ? -6.760 -2.055 -5.578 1.00 94.51 19 A 1 ATOM 134 C CA . SER A 1 19 ? -5.894 -1.215 -6.401 1.00 91.58 19 A 1 ATOM 135 C C . SER A 1 19 ? -6.706 -0.295 -7.317 1.00 87.30 19 A 1 ATOM 136 O O . SER A 1 19 ? -6.125 0.416 -8.147 1.00 81.18 19 A 1 ATOM 137 C CB . SER A 1 19 ? -4.949 -2.087 -7.220 1.00 88.10 19 A 1 ATOM 138 O OG . SER A 1 19 ? -3.801 -1.360 -7.608 1.00 80.16 19 A 1 ATOM 139 O OXT . SER A 1 19 ? -7.942 -0.260 -7.213 1.00 78.81 19 A 1 #