# 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_spkb37674 # _entry.id spkb37674 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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" "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 LEU 3 1 n THR 4 1 n CYS 5 1 n VAL 6 1 n LEU 7 1 n ILE 8 1 n ALA 9 1 n ALA 10 1 n MET 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n VAL 16 1 n CYS 17 1 n GLN 18 1 n LEU 19 1 n ASP 20 1 n SER 21 1 n ALA 22 1 n ASP 23 1 n ALA 24 # _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 @ 2025-07-08 17:15:18)" _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 88.95 _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 83.08 1 1 A LYS 2 2 83.06 1 2 A LEU 3 2 86.47 1 3 A THR 4 2 89.19 1 4 A CYS 5 2 92.58 1 5 A VAL 6 2 93.32 1 6 A LEU 7 2 90.62 1 7 A ILE 8 2 93.48 1 8 A ALA 9 2 96.07 1 9 A ALA 10 2 96.34 1 10 A MET 11 2 89.85 1 11 A LEU 12 2 90.99 1 12 A LEU 13 2 89.55 1 13 A LEU 14 2 89.88 1 14 A ALA 15 2 95.86 1 15 A VAL 16 2 93.68 1 16 A CYS 17 2 91.65 1 17 A GLN 18 2 87.14 1 18 A LEU 19 2 89.68 1 19 A ASP 20 2 87.07 1 20 A SER 21 2 88.25 1 21 A ALA 22 2 88.48 1 22 A ASP 23 2 80.51 1 23 A ALA 24 2 76.30 1 24 # _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 LEU . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n MET . 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 ALA . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ASP . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? -14.359 8.208 9.703 1.00 89.26 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.902 8.275 9.953 1.00 90.55 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.185 6.943 9.734 1.00 91.95 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.070 6.951 9.239 1.00 88.08 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.614 8.823 11.359 1.00 85.78 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.903 10.329 11.427 1.00 79.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.517 11.041 13.034 1.00 74.86 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.816 12.776 12.700 1.00 64.23 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.814 5.800 10.057 1.00 91.62 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -12.156 4.480 9.943 1.00 91.62 2 A 1 ATOM 11 C C . LYS A 1 2 ? -11.731 4.147 8.508 1.00 91.11 2 A 1 ATOM 12 O O . LYS A 1 2 ? -10.604 3.706 8.295 1.00 90.49 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -13.061 3.373 10.522 1.00 89.38 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -13.230 3.483 12.043 1.00 80.09 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -14.087 2.342 12.598 1.00 77.87 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -14.205 2.437 14.118 1.00 70.54 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -15.048 1.346 14.683 1.00 64.79 2 A 1 ATOM 18 N N . LEU A 1 3 ? -12.592 4.390 7.513 1.00 91.40 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -12.289 4.086 6.111 1.00 91.99 3 A 1 ATOM 20 C C . LEU A 1 3 ? -11.099 4.905 5.596 1.00 93.47 3 A 1 ATOM 21 O O . LEU A 1 3 ? -10.224 4.370 4.919 1.00 92.17 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -13.541 4.341 5.263 1.00 91.23 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -13.396 3.854 3.812 1.00 79.50 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -13.407 2.328 3.736 1.00 76.37 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -14.545 4.404 2.971 1.00 75.62 3 A 1 ATOM 26 N N . THR A 1 4 ? -11.029 6.185 5.949 1.00 92.79 4 A 1 ATOM 27 C CA . THR A 1 4 ? -9.930 7.072 5.551 1.00 93.27 4 A 1 ATOM 28 C C . THR A 1 4 ? -8.596 6.588 6.116 1.00 94.26 4 A 1 ATOM 29 O O . THR A 1 4 ? -7.599 6.574 5.397 1.00 93.37 4 A 1 ATOM 30 C CB . THR A 1 4 ? -10.205 8.505 6.021 1.00 92.31 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? -11.550 8.859 5.752 1.00 80.33 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? -9.304 9.515 5.315 1.00 78.01 4 A 1 ATOM 33 N N . CYS A 1 5 ? -8.563 6.139 7.373 1.00 93.78 5 A 1 ATOM 34 C CA . CYS A 1 5 ? -7.353 5.597 7.991 1.00 94.55 5 A 1 ATOM 35 C C . CYS A 1 5 ? -6.878 4.324 7.277 1.00 95.29 5 A 1 ATOM 36 O O . CYS A 1 5 ? -5.684 4.159 7.055 1.00 94.65 5 A 1 ATOM 37 C CB . CYS A 1 5 ? -7.610 5.311 9.476 1.00 92.85 5 A 1 ATOM 38 S SG . CYS A 1 5 ? -7.983 6.826 10.395 1.00 84.39 5 A 1 ATOM 39 N N . VAL A 1 6 ? -7.807 3.438 6.887 1.00 94.13 6 A 1 ATOM 40 C CA . VAL A 1 6 ? -7.483 2.210 6.145 1.00 94.81 6 A 1 ATOM 41 C C . VAL A 1 6 ? -6.922 2.546 4.758 1.00 95.77 6 A 1 ATOM 42 O O . VAL A 1 6 ? -5.918 1.965 4.349 1.00 95.28 6 A 1 ATOM 43 C CB . VAL A 1 6 ? -8.714 1.287 6.042 1.00 94.10 6 A 1 ATOM 44 C CG1 . VAL A 1 6 ? -8.453 0.065 5.149 1.00 89.93 6 A 1 ATOM 45 C CG2 . VAL A 1 6 ? -9.116 0.770 7.426 1.00 89.21 6 A 1 ATOM 46 N N . LEU A 1 7 ? -7.518 3.504 4.051 1.00 94.01 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -7.038 3.931 2.734 1.00 94.07 7 A 1 ATOM 48 C C . LEU A 1 7 ? -5.635 4.544 2.814 1.00 95.16 7 A 1 ATOM 49 O O . LEU A 1 7 ? -4.774 4.204 2.003 1.00 95.99 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -8.030 4.930 2.118 1.00 94.16 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -9.356 4.297 1.666 1.00 85.05 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -10.348 5.400 1.300 1.00 82.57 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -9.165 3.384 0.457 1.00 83.93 7 A 1 ATOM 54 N N . ILE A 1 8 ? -5.377 5.399 3.799 1.00 95.37 8 A 1 ATOM 55 C CA . ILE A 1 8 ? -4.056 5.999 4.019 1.00 95.40 8 A 1 ATOM 56 C C . ILE A 1 8 ? -3.030 4.910 4.344 1.00 95.97 8 A 1 ATOM 57 O O . ILE A 1 8 ? -1.946 4.890 3.759 1.00 95.95 8 A 1 ATOM 58 C CB . ILE A 1 8 ? -4.123 7.073 5.125 1.00 95.56 8 A 1 ATOM 59 C CG1 . ILE A 1 8 ? -4.956 8.285 4.652 1.00 93.06 8 A 1 ATOM 60 C CG2 . ILE A 1 8 ? -2.711 7.544 5.520 1.00 91.59 8 A 1 ATOM 61 C CD1 . ILE A 1 8 ? -5.355 9.233 5.784 1.00 84.90 8 A 1 ATOM 62 N N . ALA A 1 9 ? -3.370 3.971 5.232 1.00 96.16 9 A 1 ATOM 63 C CA . ALA A 1 9 ? -2.482 2.866 5.583 1.00 96.07 9 A 1 ATOM 64 C C . ALA A 1 9 ? -2.164 1.985 4.364 1.00 96.60 9 A 1 ATOM 65 O O . ALA A 1 9 ? -1.008 1.617 4.159 1.00 95.94 9 A 1 ATOM 66 C CB . ALA A 1 9 ? -3.127 2.048 6.711 1.00 95.58 9 A 1 ATOM 67 N N . ALA A 1 10 ? -3.160 1.689 3.520 1.00 96.57 10 A 1 ATOM 68 C CA . ALA A 1 10 ? -2.962 0.920 2.293 1.00 96.53 10 A 1 ATOM 69 C C . ALA A 1 10 ? -2.045 1.655 1.302 1.00 96.78 10 A 1 ATOM 70 O O . ALA A 1 10 ? -1.149 1.040 0.725 1.00 95.68 10 A 1 ATOM 71 C CB . ALA A 1 10 ? -4.331 0.613 1.673 1.00 96.16 10 A 1 ATOM 72 N N . MET A 1 11 ? -2.225 2.971 1.116 1.00 94.27 11 A 1 ATOM 73 C CA . MET A 1 11 ? -1.356 3.780 0.250 1.00 94.25 11 A 1 ATOM 74 C C . MET A 1 11 ? 0.084 3.811 0.763 1.00 95.06 11 A 1 ATOM 75 O O . MET A 1 11 ? 1.018 3.671 -0.026 1.00 94.36 11 A 1 ATOM 76 C CB . MET A 1 11 ? -1.897 5.209 0.132 1.00 94.04 11 A 1 ATOM 77 C CG . MET A 1 11 ? -3.118 5.285 -0.784 1.00 89.90 11 A 1 ATOM 78 S SD . MET A 1 11 ? -3.699 6.983 -1.035 1.00 83.45 11 A 1 ATOM 79 C CE . MET A 1 11 ? -4.983 6.684 -2.258 1.00 73.45 11 A 1 ATOM 80 N N . LEU A 1 12 ? 0.283 3.951 2.074 1.00 94.87 12 A 1 ATOM 81 C CA . LEU A 1 12 ? 1.612 3.943 2.681 1.00 94.88 12 A 1 ATOM 82 C C . LEU A 1 12 ? 2.290 2.583 2.515 1.00 95.45 12 A 1 ATOM 83 O O . LEU A 1 12 ? 3.460 2.533 2.144 1.00 94.77 12 A 1 ATOM 84 C CB . LEU A 1 12 ? 1.511 4.321 4.166 1.00 94.53 12 A 1 ATOM 85 C CG . LEU A 1 12 ? 1.191 5.801 4.421 1.00 86.41 12 A 1 ATOM 86 C CD1 . LEU A 1 12 ? 0.920 6.013 5.911 1.00 82.85 12 A 1 ATOM 87 C CD2 . LEU A 1 12 ? 2.335 6.719 3.999 1.00 84.18 12 A 1 ATOM 88 N N . LEU A 1 13 ? 1.563 1.481 2.720 1.00 95.07 13 A 1 ATOM 89 C CA . LEU A 1 13 ? 2.093 0.132 2.512 1.00 94.45 13 A 1 ATOM 90 C C . LEU A 1 13 ? 2.512 -0.079 1.055 1.00 94.91 13 A 1 ATOM 91 O O . LEU A 1 13 ? 3.611 -0.570 0.801 1.00 94.33 13 A 1 ATOM 92 C CB . LEU A 1 13 ? 1.041 -0.909 2.927 1.00 93.91 13 A 1 ATOM 93 C CG . LEU A 1 13 ? 0.953 -1.123 4.443 1.00 83.42 13 A 1 ATOM 94 C CD1 . LEU A 1 13 ? -0.322 -1.897 4.784 1.00 79.09 13 A 1 ATOM 95 C CD2 . LEU A 1 13 ? 2.152 -1.913 4.962 1.00 81.22 13 A 1 ATOM 96 N N . LEU A 1 14 ? 1.688 0.330 0.089 1.00 94.99 14 A 1 ATOM 97 C CA . LEU A 1 14 ? 2.018 0.232 -1.332 1.00 94.57 14 A 1 ATOM 98 C C . LEU A 1 14 ? 3.247 1.076 -1.679 1.00 95.22 14 A 1 ATOM 99 O O . LEU A 1 14 ? 4.124 0.603 -2.402 1.00 94.58 14 A 1 ATOM 100 C CB . LEU A 1 14 ? 0.809 0.665 -2.176 1.00 94.12 14 A 1 ATOM 101 C CG . LEU A 1 14 ? -0.334 -0.358 -2.200 1.00 84.07 14 A 1 ATOM 102 C CD1 . LEU A 1 14 ? -1.568 0.269 -2.849 1.00 79.85 14 A 1 ATOM 103 C CD2 . LEU A 1 14 ? 0.046 -1.615 -2.982 1.00 81.63 14 A 1 ATOM 104 N N . ALA A 1 15 ? 3.348 2.292 -1.149 1.00 96.11 15 A 1 ATOM 105 C CA . ALA A 1 15 ? 4.497 3.163 -1.377 1.00 96.07 15 A 1 ATOM 106 C C . ALA A 1 15 ? 5.787 2.559 -0.802 1.00 96.43 15 A 1 ATOM 107 O O . ALA A 1 15 ? 6.814 2.558 -1.480 1.00 95.14 15 A 1 ATOM 108 C CB . ALA A 1 15 ? 4.209 4.543 -0.775 1.00 95.56 15 A 1 ATOM 109 N N . VAL A 1 16 ? 5.740 1.997 0.408 1.00 95.91 16 A 1 ATOM 110 C CA . VAL A 1 16 ? 6.890 1.332 1.032 1.00 95.42 16 A 1 ATOM 111 C C . VAL A 1 16 ? 7.292 0.092 0.237 1.00 95.57 16 A 1 ATOM 112 O O . VAL A 1 16 ? 8.475 -0.085 -0.049 1.00 94.62 16 A 1 ATOM 113 C CB . VAL A 1 16 ? 6.593 0.989 2.504 1.00 94.43 16 A 1 ATOM 114 C CG1 . VAL A 1 16 ? 7.693 0.132 3.127 1.00 89.82 16 A 1 ATOM 115 C CG2 . VAL A 1 16 ? 6.475 2.267 3.332 1.00 89.97 16 A 1 ATOM 116 N N . CYS A 1 17 ? 6.332 -0.738 -0.189 1.00 94.02 17 A 1 ATOM 117 C CA . CYS A 1 17 ? 6.618 -1.918 -1.006 1.00 93.70 17 A 1 ATOM 118 C C . CYS A 1 17 ? 7.231 -1.543 -2.363 1.00 93.94 17 A 1 ATOM 119 O O . CYS A 1 17 ? 8.119 -2.235 -2.846 1.00 92.40 17 A 1 ATOM 120 C CB . CYS A 1 17 ? 5.330 -2.726 -1.216 1.00 92.50 17 A 1 ATOM 121 S SG . CYS A 1 17 ? 4.797 -3.532 0.309 1.00 83.37 17 A 1 ATOM 122 N N . GLN A 1 18 ? 6.782 -0.455 -2.986 1.00 93.75 18 A 1 ATOM 123 C CA . GLN A 1 18 ? 7.353 0.026 -4.248 1.00 94.32 18 A 1 ATOM 124 C C . GLN A 1 18 ? 8.771 0.572 -4.059 1.00 94.64 18 A 1 ATOM 125 O O . GLN A 1 18 ? 9.634 0.304 -4.894 1.00 93.12 18 A 1 ATOM 126 C CB . GLN A 1 18 ? 6.455 1.095 -4.875 1.00 93.91 18 A 1 ATOM 127 C CG . GLN A 1 18 ? 5.229 0.470 -5.542 1.00 85.04 18 A 1 ATOM 128 C CD . GLN A 1 18 ? 4.445 1.472 -6.382 1.00 80.93 18 A 1 ATOM 129 O OE1 . GLN A 1 18 ? 4.426 2.670 -6.146 1.00 75.13 18 A 1 ATOM 130 N NE2 . GLN A 1 18 ? 3.778 1.010 -7.420 1.00 73.38 18 A 1 ATOM 131 N N . LEU A 1 19 ? 9.029 1.299 -2.970 1.00 94.77 19 A 1 ATOM 132 C CA . LEU A 1 19 ? 10.369 1.792 -2.648 1.00 94.57 19 A 1 ATOM 133 C C . LEU A 1 19 ? 11.329 0.633 -2.374 1.00 94.80 19 A 1 ATOM 134 O O . LEU A 1 19 ? 12.431 0.620 -2.920 1.00 93.67 19 A 1 ATOM 135 C CB . LEU A 1 19 ? 10.288 2.737 -1.440 1.00 93.76 19 A 1 ATOM 136 C CG . LEU A 1 19 ? 9.757 4.133 -1.788 1.00 86.05 19 A 1 ATOM 137 C CD1 . LEU A 1 19 ? 9.318 4.862 -0.523 1.00 78.87 19 A 1 ATOM 138 C CD2 . LEU A 1 19 ? 10.829 4.972 -2.480 1.00 80.94 19 A 1 ATOM 139 N N . ASP A 1 20 ? 10.898 -0.362 -1.599 1.00 92.85 20 A 1 ATOM 140 C CA . ASP A 1 20 ? 11.690 -1.557 -1.304 1.00 92.53 20 A 1 ATOM 141 C C . ASP A 1 20 ? 11.991 -2.359 -2.577 1.00 92.76 20 A 1 ATOM 142 O O . ASP A 1 20 ? 13.117 -2.813 -2.785 1.00 91.18 20 A 1 ATOM 143 C CB . ASP A 1 20 ? 10.918 -2.397 -0.282 1.00 90.94 20 A 1 ATOM 144 C CG . ASP A 1 20 ? 11.747 -3.526 0.295 1.00 82.94 20 A 1 ATOM 145 O OD1 . ASP A 1 20 ? 12.740 -3.222 0.988 1.00 76.20 20 A 1 ATOM 146 O OD2 . ASP A 1 20 ? 11.363 -4.694 0.094 1.00 77.15 20 A 1 ATOM 147 N N . SER A 1 21 ? 11.012 -2.489 -3.488 1.00 91.85 21 A 1 ATOM 148 C CA . SER A 1 21 ? 11.188 -3.183 -4.768 1.00 91.70 21 A 1 ATOM 149 C C . SER A 1 21 ? 12.021 -2.387 -5.773 1.00 91.06 21 A 1 ATOM 150 O O . SER A 1 21 ? 12.561 -2.976 -6.712 1.00 89.53 21 A 1 ATOM 151 C CB . SER A 1 21 ? 9.828 -3.504 -5.383 1.00 89.33 21 A 1 ATOM 152 O OG . SER A 1 21 ? 9.997 -4.287 -6.556 1.00 76.05 21 A 1 ATOM 153 N N . ALA A 1 22 ? 12.101 -1.061 -5.645 1.00 89.53 22 A 1 ATOM 154 C CA . ALA A 1 22 ? 12.897 -0.209 -6.532 1.00 89.68 22 A 1 ATOM 155 C C . ALA A 1 22 ? 14.374 -0.158 -6.114 1.00 89.27 22 A 1 ATOM 156 O O . ALA A 1 22 ? 15.225 0.172 -6.941 1.00 86.10 22 A 1 ATOM 157 C CB . ALA A 1 22 ? 12.282 1.193 -6.572 1.00 87.84 22 A 1 ATOM 158 N N . ASP A 1 23 ? 14.672 -0.490 -4.856 1.00 86.16 23 A 1 ATOM 159 C CA . ASP A 1 23 ? 16.040 -0.555 -4.328 1.00 86.83 23 A 1 ATOM 160 C C . ASP A 1 23 ? 16.680 -1.937 -4.544 1.00 86.37 23 A 1 ATOM 161 O O . ASP A 1 23 ? 17.878 -2.108 -4.343 1.00 83.49 23 A 1 ATOM 162 C CB . ASP A 1 23 ? 16.017 -0.156 -2.843 1.00 84.23 23 A 1 ATOM 163 C CG . ASP A 1 23 ? 17.357 0.368 -2.353 1.00 75.51 23 A 1 ATOM 164 O OD1 . ASP A 1 23 ? 18.011 -0.337 -1.557 1.00 70.00 23 A 1 ATOM 165 O OD2 . ASP A 1 23 ? 17.723 1.499 -2.733 1.00 71.52 23 A 1 ATOM 166 N N . ALA A 1 24 ? 15.902 -2.927 -4.992 1.00 83.88 24 A 1 ATOM 167 C CA . ALA A 1 24 ? 16.347 -4.286 -5.280 1.00 82.26 24 A 1 ATOM 168 C C . ALA A 1 24 ? 16.809 -4.465 -6.734 1.00 78.52 24 A 1 ATOM 169 O O . ALA A 1 24 ? 16.216 -3.843 -7.640 1.00 71.65 24 A 1 ATOM 170 C CB . ALA A 1 24 ? 15.235 -5.271 -4.915 1.00 75.43 24 A 1 ATOM 171 O OXT . ALA A 1 24 ? 17.762 -5.255 -6.959 1.00 66.03 24 A 1 #