# 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_spkb17475 # _entry.id spkb17475 # 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" "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" "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 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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 ASP 2 1 n HIS 3 1 n SER 4 1 n GLN 5 1 n CYS 6 1 n LEU 7 1 n VAL 8 1 n THR 9 1 n ILE 10 1 n TYR 11 1 n ALA 12 1 n ALA 13 1 n ALA 14 1 n VAL 15 1 n LEU 16 1 n LEU 17 1 n GLY 18 1 n LEU 19 1 n ARG 20 1 n LEU 21 1 n GLN 22 1 n GLN 23 1 n GLY 24 1 n SER 25 1 n CYS 26 # _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 @ 2025-07-07 13:56:39)" _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 86.98 _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 74.36 1 1 A ASP 2 2 79.59 1 2 A HIS 3 2 81.96 1 3 A SER 4 2 89.02 1 4 A GLN 5 2 85.38 1 5 A CYS 6 2 91.29 1 6 A LEU 7 2 89.77 1 7 A VAL 8 2 93.62 1 8 A THR 9 2 92.60 1 9 A ILE 10 2 93.66 1 10 A TYR 11 2 89.69 1 11 A ALA 12 2 95.83 1 12 A ALA 13 2 95.44 1 13 A ALA 14 2 96.00 1 14 A VAL 15 2 94.72 1 15 A LEU 16 2 92.38 1 16 A LEU 17 2 92.15 1 17 A GLY 18 2 95.05 1 18 A LEU 19 2 91.98 1 19 A ARG 20 2 84.05 1 20 A LEU 21 2 90.78 1 21 A GLN 22 2 82.76 1 22 A GLN 23 2 78.98 1 23 A GLY 24 2 80.19 1 24 A SER 25 2 72.99 1 25 A CYS 26 2 68.73 1 26 # _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 ASP . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n TYR . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n GLN . 22 A 22 A 23 1 n GLN . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n CYS . 26 A 26 # _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 ? -16.513 -4.496 -4.572 1.00 76.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.549 -4.289 -3.472 1.00 81.62 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.260 -3.495 -2.392 1.00 85.05 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.750 -2.405 -2.688 1.00 79.54 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.307 -3.549 -3.983 1.00 76.10 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.117 -3.634 -3.019 1.00 72.31 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.627 -2.913 -3.766 1.00 65.34 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.371 -3.475 -2.607 1.00 58.62 1 A 1 ATOM 9 N N . ASP A 1 2 ? -16.358 -4.025 -1.203 1.00 83.73 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -17.009 -3.322 -0.100 1.00 86.23 2 A 1 ATOM 11 C C . ASP A 1 2 ? -16.199 -2.088 0.307 1.00 88.16 2 A 1 ATOM 12 O O . ASP A 1 2 ? -14.977 -2.048 0.158 1.00 84.43 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -17.196 -4.269 1.080 1.00 81.57 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -18.120 -5.409 0.691 1.00 73.53 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -19.330 -5.136 0.558 1.00 69.97 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -17.595 -6.519 0.466 1.00 69.11 2 A 1 ATOM 17 N N . HIS A 1 3 ? -16.875 -1.081 0.855 1.00 88.69 3 A 1 ATOM 18 C CA . HIS A 1 3 ? -16.235 0.177 1.250 1.00 90.92 3 A 1 ATOM 19 C C . HIS A 1 3 ? -15.097 -0.056 2.259 1.00 93.05 3 A 1 ATOM 20 O O . HIS A 1 3 ? -14.027 0.547 2.152 1.00 90.74 3 A 1 ATOM 21 C CB . HIS A 1 3 ? -17.310 1.106 1.818 1.00 88.87 3 A 1 ATOM 22 C CG . HIS A 1 3 ? -16.839 2.525 1.921 1.00 83.25 3 A 1 ATOM 23 N ND1 . HIS A 1 3 ? -16.751 3.409 0.870 1.00 70.36 3 A 1 ATOM 24 C CD2 . HIS A 1 3 ? -16.431 3.187 3.041 1.00 69.39 3 A 1 ATOM 25 C CE1 . HIS A 1 3 ? -16.298 4.575 1.355 1.00 71.98 3 A 1 ATOM 26 N NE2 . HIS A 1 3 ? -16.094 4.479 2.667 1.00 72.34 3 A 1 ATOM 27 N N . SER A 1 4 ? -15.287 -0.991 3.188 1.00 90.66 4 A 1 ATOM 28 C CA . SER A 1 4 ? -14.275 -1.368 4.177 1.00 92.28 4 A 1 ATOM 29 C C . SER A 1 4 ? -13.028 -1.984 3.533 1.00 92.68 4 A 1 ATOM 30 O O . SER A 1 4 ? -11.908 -1.670 3.933 1.00 90.11 4 A 1 ATOM 31 C CB . SER A 1 4 ? -14.878 -2.354 5.174 1.00 89.95 4 A 1 ATOM 32 O OG . SER A 1 4 ? -16.067 -1.814 5.733 1.00 78.45 4 A 1 ATOM 33 N N . GLN A 1 5 ? -13.197 -2.824 2.501 1.00 91.76 5 A 1 ATOM 34 C CA . GLN A 1 5 ? -12.077 -3.448 1.791 1.00 92.34 5 A 1 ATOM 35 C C . GLN A 1 5 ? -11.249 -2.413 1.027 1.00 93.33 5 A 1 ATOM 36 O O . GLN A 1 5 ? -10.024 -2.524 0.963 1.00 91.85 5 A 1 ATOM 37 C CB . GLN A 1 5 ? -12.599 -4.531 0.835 1.00 91.32 5 A 1 ATOM 38 C CG . GLN A 1 5 ? -13.232 -5.717 1.567 1.00 83.07 5 A 1 ATOM 39 C CD . GLN A 1 5 ? -12.224 -6.472 2.437 1.00 79.71 5 A 1 ATOM 40 O OE1 . GLN A 1 5 ? -11.046 -6.561 2.131 1.00 73.54 5 A 1 ATOM 41 N NE2 . GLN A 1 5 ? -12.654 -7.041 3.535 1.00 71.49 5 A 1 ATOM 42 N N . CYS A 1 6 ? -11.887 -1.382 0.487 1.00 91.70 6 A 1 ATOM 43 C CA . CYS A 1 6 ? -11.191 -0.277 -0.171 1.00 92.96 6 A 1 ATOM 44 C C . CYS A 1 6 ? -10.264 0.459 0.811 1.00 93.87 6 A 1 ATOM 45 O O . CYS A 1 6 ? -9.088 0.664 0.517 1.00 92.18 6 A 1 ATOM 46 C CB . CYS A 1 6 ? -12.232 0.664 -0.788 1.00 91.67 6 A 1 ATOM 47 S SG . CYS A 1 6 ? -11.417 1.959 -1.756 1.00 85.35 6 A 1 ATOM 48 N N . LEU A 1 7 ? -10.763 0.784 2.001 1.00 93.14 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -9.974 1.453 3.039 1.00 93.83 7 A 1 ATOM 50 C C . LEU A 1 7 ? -8.787 0.598 3.502 1.00 94.95 7 A 1 ATOM 51 O O . LEU A 1 7 ? -7.670 1.104 3.610 1.00 94.72 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -10.879 1.800 4.229 1.00 93.35 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -11.944 2.865 3.934 1.00 85.10 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -12.853 3.026 5.151 1.00 81.62 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -11.317 4.219 3.607 1.00 81.41 7 A 1 ATOM 56 N N . VAL A 1 8 ? -9.009 -0.706 3.715 1.00 95.13 8 A 1 ATOM 57 C CA . VAL A 1 8 ? -7.944 -1.645 4.103 1.00 95.59 8 A 1 ATOM 58 C C . VAL A 1 8 ? -6.865 -1.726 3.022 1.00 96.17 8 A 1 ATOM 59 O O . VAL A 1 8 ? -5.673 -1.695 3.335 1.00 95.29 8 A 1 ATOM 60 C CB . VAL A 1 8 ? -8.530 -3.035 4.406 1.00 94.71 8 A 1 ATOM 61 C CG1 . VAL A 1 8 ? -7.444 -4.092 4.621 1.00 89.15 8 A 1 ATOM 62 C CG2 . VAL A 1 8 ? -9.384 -2.990 5.670 1.00 89.33 8 A 1 ATOM 63 N N . THR A 1 9 ? -7.263 -1.781 1.756 1.00 95.13 9 A 1 ATOM 64 C CA . THR A 1 9 ? -6.324 -1.850 0.629 1.00 95.07 9 A 1 ATOM 65 C C . THR A 1 9 ? -5.465 -0.588 0.535 1.00 95.95 9 A 1 ATOM 66 O O . THR A 1 9 ? -4.248 -0.683 0.389 1.00 95.48 9 A 1 ATOM 67 C CB . THR A 1 9 ? -7.079 -2.071 -0.688 1.00 94.45 9 A 1 ATOM 68 O OG1 . THR A 1 9 ? -7.834 -3.261 -0.616 1.00 86.93 9 A 1 ATOM 69 C CG2 . THR A 1 9 ? -6.132 -2.212 -1.876 1.00 85.18 9 A 1 ATOM 70 N N . ILE A 1 10 ? -6.068 0.584 0.661 1.00 95.68 10 A 1 ATOM 71 C CA . ILE A 1 10 ? -5.344 1.863 0.643 1.00 95.59 10 A 1 ATOM 72 C C . ILE A 1 10 ? -4.363 1.939 1.816 1.00 96.10 10 A 1 ATOM 73 O O . ILE A 1 10 ? -3.198 2.304 1.634 1.00 95.73 10 A 1 ATOM 74 C CB . ILE A 1 10 ? -6.336 3.047 0.658 1.00 95.49 10 A 1 ATOM 75 C CG1 . ILE A 1 10 ? -7.135 3.090 -0.661 1.00 92.85 10 A 1 ATOM 76 C CG2 . ILE A 1 10 ? -5.602 4.382 0.864 1.00 91.50 10 A 1 ATOM 77 C CD1 . ILE A 1 10 ? -8.345 4.012 -0.612 1.00 86.30 10 A 1 ATOM 78 N N . TYR A 1 11 ? -4.818 1.563 3.009 1.00 93.37 11 A 1 ATOM 79 C CA . TYR A 1 11 ? -3.972 1.561 4.201 1.00 93.31 11 A 1 ATOM 80 C C . TYR A 1 11 ? -2.779 0.612 4.048 1.00 94.20 11 A 1 ATOM 81 O O . TYR A 1 11 ? -1.635 1.012 4.282 1.00 94.24 11 A 1 ATOM 82 C CB . TYR A 1 11 ? -4.827 1.190 5.418 1.00 93.73 11 A 1 ATOM 83 C CG . TYR A 1 11 ? -4.024 1.173 6.699 1.00 91.61 11 A 1 ATOM 84 C CD1 . TYR A 1 11 ? -3.672 2.390 7.323 1.00 87.98 11 A 1 ATOM 85 C CD2 . TYR A 1 11 ? -3.590 -0.043 7.255 1.00 86.72 11 A 1 ATOM 86 C CE1 . TYR A 1 11 ? -2.894 2.385 8.488 1.00 85.97 11 A 1 ATOM 87 C CE2 . TYR A 1 11 ? -2.805 -0.056 8.422 1.00 85.71 11 A 1 ATOM 88 C CZ . TYR A 1 11 ? -2.457 1.161 9.034 1.00 85.85 11 A 1 ATOM 89 O OH . TYR A 1 11 ? -1.686 1.155 10.162 1.00 83.60 11 A 1 ATOM 90 N N . ALA A 1 12 ? -3.017 -0.619 3.594 1.00 95.85 12 A 1 ATOM 91 C CA . ALA A 1 12 ? -1.956 -1.601 3.376 1.00 95.99 12 A 1 ATOM 92 C C . ALA A 1 12 ? -0.938 -1.120 2.331 1.00 96.52 12 A 1 ATOM 93 O O . ALA A 1 12 ? 0.269 -1.234 2.551 1.00 95.51 12 A 1 ATOM 94 C CB . ALA A 1 12 ? -2.588 -2.933 2.959 1.00 95.28 12 A 1 ATOM 95 N N . ALA A 1 13 ? -1.398 -0.533 1.234 1.00 95.87 13 A 1 ATOM 96 C CA . ALA A 1 13 ? -0.522 0.023 0.207 1.00 95.58 13 A 1 ATOM 97 C C . ALA A 1 13 ? 0.346 1.167 0.750 1.00 96.16 13 A 1 ATOM 98 O O . ALA A 1 13 ? 1.548 1.204 0.487 1.00 94.81 13 A 1 ATOM 99 C CB . ALA A 1 13 ? -1.377 0.483 -0.978 1.00 94.78 13 A 1 ATOM 100 N N . ALA A 1 14 ? -0.225 2.064 1.548 1.00 96.34 14 A 1 ATOM 101 C CA . ALA A 1 14 ? 0.507 3.166 2.165 1.00 96.27 14 A 1 ATOM 102 C C . ALA A 1 14 ? 1.576 2.668 3.151 1.00 96.73 14 A 1 ATOM 103 O O . ALA A 1 14 ? 2.706 3.158 3.130 1.00 95.28 14 A 1 ATOM 104 C CB . ALA A 1 14 ? -0.493 4.098 2.853 1.00 95.37 14 A 1 ATOM 105 N N . VAL A 1 15 ? 1.253 1.674 3.976 1.00 96.14 15 A 1 ATOM 106 C CA . VAL A 1 15 ? 2.204 1.067 4.917 1.00 95.91 15 A 1 ATOM 107 C C . VAL A 1 15 ? 3.354 0.392 4.172 1.00 96.40 15 A 1 ATOM 108 O O . VAL A 1 15 ? 4.518 0.632 4.495 1.00 95.39 15 A 1 ATOM 109 C CB . VAL A 1 15 ? 1.492 0.074 5.854 1.00 95.10 15 A 1 ATOM 110 C CG1 . VAL A 1 15 ? 2.480 -0.735 6.699 1.00 92.62 15 A 1 ATOM 111 C CG2 . VAL A 1 15 ? 0.566 0.819 6.810 1.00 91.46 15 A 1 ATOM 112 N N . LEU A 1 16 ? 3.061 -0.402 3.154 1.00 95.74 16 A 1 ATOM 113 C CA . LEU A 1 16 ? 4.082 -1.076 2.350 1.00 95.08 16 A 1 ATOM 114 C C . LEU A 1 16 ? 4.994 -0.074 1.643 1.00 95.59 16 A 1 ATOM 115 O O . LEU A 1 16 ? 6.214 -0.244 1.656 1.00 94.90 16 A 1 ATOM 116 C CB . LEU A 1 16 ? 3.409 -2.004 1.325 1.00 94.88 16 A 1 ATOM 117 C CG . LEU A 1 16 ? 2.780 -3.264 1.934 1.00 89.74 16 A 1 ATOM 118 C CD1 . LEU A 1 16 ? 1.964 -3.987 0.863 1.00 86.43 16 A 1 ATOM 119 C CD2 . LEU A 1 16 ? 3.839 -4.222 2.475 1.00 86.72 16 A 1 ATOM 120 N N . LEU A 1 17 ? 4.438 0.983 1.082 1.00 96.23 17 A 1 ATOM 121 C CA . LEU A 1 17 ? 5.213 2.043 0.449 1.00 95.54 17 A 1 ATOM 122 C C . LEU A 1 17 ? 6.123 2.742 1.462 1.00 96.19 17 A 1 ATOM 123 O O . LEU A 1 17 ? 7.308 2.931 1.195 1.00 95.50 17 A 1 ATOM 124 C CB . LEU A 1 17 ? 4.253 3.032 -0.228 1.00 94.99 17 A 1 ATOM 125 C CG . LEU A 1 17 ? 4.957 4.178 -0.969 1.00 88.71 17 A 1 ATOM 126 C CD1 . LEU A 1 17 ? 5.782 3.665 -2.155 1.00 84.92 17 A 1 ATOM 127 C CD2 . LEU A 1 17 ? 3.916 5.168 -1.485 1.00 85.15 17 A 1 ATOM 128 N N . GLY A 1 18 ? 5.603 3.083 2.634 1.00 95.44 18 A 1 ATOM 129 C CA . GLY A 1 18 ? 6.375 3.701 3.708 1.00 95.09 18 A 1 ATOM 130 C C . GLY A 1 18 ? 7.533 2.822 4.176 1.00 95.61 18 A 1 ATOM 131 O O . GLY A 1 18 ? 8.658 3.304 4.309 1.00 94.08 18 A 1 ATOM 132 N N . LEU A 1 19 ? 7.295 1.524 4.354 1.00 95.46 19 A 1 ATOM 133 C CA . LEU A 1 19 ? 8.330 0.562 4.730 1.00 94.77 19 A 1 ATOM 134 C C . LEU A 1 19 ? 9.403 0.428 3.648 1.00 95.30 19 A 1 ATOM 135 O O . LEU A 1 19 ? 10.591 0.397 3.966 1.00 94.11 19 A 1 ATOM 136 C CB . LEU A 1 19 ? 7.688 -0.803 5.018 1.00 94.73 19 A 1 ATOM 137 C CG . LEU A 1 19 ? 6.855 -0.858 6.304 1.00 89.98 19 A 1 ATOM 138 C CD1 . LEU A 1 19 ? 6.118 -2.197 6.371 1.00 85.54 19 A 1 ATOM 139 C CD2 . LEU A 1 19 ? 7.718 -0.714 7.553 1.00 85.97 19 A 1 ATOM 140 N N . ARG A 1 20 ? 9.021 0.384 2.373 1.00 93.97 20 A 1 ATOM 141 C CA . ARG A 1 20 ? 9.968 0.313 1.252 1.00 93.07 20 A 1 ATOM 142 C C . ARG A 1 20 ? 10.851 1.553 1.175 1.00 93.54 20 A 1 ATOM 143 O O . ARG A 1 20 ? 12.057 1.430 0.969 1.00 91.44 20 A 1 ATOM 144 C CB . ARG A 1 20 ? 9.211 0.117 -0.066 1.00 92.45 20 A 1 ATOM 145 C CG . ARG A 1 20 ? 8.650 -1.306 -0.234 1.00 86.07 20 A 1 ATOM 146 C CD . ARG A 1 20 ? 9.773 -2.331 -0.414 1.00 83.35 20 A 1 ATOM 147 N NE . ARG A 1 20 ? 9.233 -3.677 -0.681 1.00 78.23 20 A 1 ATOM 148 C CZ . ARG A 1 20 ? 9.031 -4.214 -1.875 1.00 75.22 20 A 1 ATOM 149 N NH1 . ARG A 1 20 ? 9.307 -3.566 -2.984 1.00 67.85 20 A 1 ATOM 150 N NH2 . ARG A 1 20 ? 8.546 -5.425 -1.965 1.00 69.36 20 A 1 ATOM 151 N N . LEU A 1 21 ? 10.279 2.734 1.383 1.00 94.60 21 A 1 ATOM 152 C CA . LEU A 1 21 ? 11.033 3.985 1.414 1.00 93.55 21 A 1 ATOM 153 C C . LEU A 1 21 ? 11.980 4.038 2.617 1.00 94.01 21 A 1 ATOM 154 O O . LEU A 1 21 ? 13.128 4.454 2.481 1.00 92.89 21 A 1 ATOM 155 C CB . LEU A 1 21 ? 10.057 5.168 1.441 1.00 93.92 21 A 1 ATOM 156 C CG . LEU A 1 21 ? 9.276 5.366 0.131 1.00 89.94 21 A 1 ATOM 157 C CD1 . LEU A 1 21 ? 8.192 6.419 0.340 1.00 84.08 21 A 1 ATOM 158 C CD2 . LEU A 1 21 ? 10.184 5.813 -1.010 1.00 83.26 21 A 1 ATOM 159 N N . GLN A 1 22 ? 11.527 3.575 3.782 1.00 92.63 22 A 1 ATOM 160 C CA . GLN A 1 22 ? 12.334 3.553 5.003 1.00 91.15 22 A 1 ATOM 161 C C . GLN A 1 22 ? 13.494 2.555 4.914 1.00 90.76 22 A 1 ATOM 162 O O . GLN A 1 22 ? 14.588 2.835 5.408 1.00 88.64 22 A 1 ATOM 163 C CB . GLN A 1 22 ? 11.418 3.237 6.191 1.00 90.01 22 A 1 ATOM 164 C CG . GLN A 1 22 ? 12.142 3.366 7.528 1.00 80.63 22 A 1 ATOM 165 C CD . GLN A 1 22 ? 11.189 3.142 8.690 1.00 76.01 22 A 1 ATOM 166 O OE1 . GLN A 1 22 ? 10.790 2.027 8.988 1.00 69.55 22 A 1 ATOM 167 N NE2 . GLN A 1 22 ? 10.792 4.185 9.376 1.00 65.49 22 A 1 ATOM 168 N N . GLN A 1 23 ? 13.284 1.409 4.267 1.00 89.17 23 A 1 ATOM 169 C CA . GLN A 1 23 ? 14.321 0.387 4.076 1.00 86.34 23 A 1 ATOM 170 C C . GLN A 1 23 ? 15.342 0.759 2.993 1.00 84.71 23 A 1 ATOM 171 O O . GLN A 1 23 ? 16.368 0.091 2.882 1.00 82.56 23 A 1 ATOM 172 C CB . GLN A 1 23 ? 13.662 -0.964 3.769 1.00 86.05 23 A 1 ATOM 173 C CG . GLN A 1 23 ? 13.040 -1.578 5.026 1.00 77.22 23 A 1 ATOM 174 C CD . GLN A 1 23 ? 12.381 -2.927 4.768 1.00 72.18 23 A 1 ATOM 175 O OE1 . GLN A 1 23 ? 12.189 -3.372 3.646 1.00 67.78 23 A 1 ATOM 176 N NE2 . GLN A 1 23 ? 12.009 -3.639 5.812 1.00 64.81 23 A 1 ATOM 177 N N . GLY A 1 24 ? 15.103 1.830 2.234 1.00 85.57 24 A 1 ATOM 178 C CA . GLY A 1 24 ? 15.948 2.158 1.092 1.00 80.94 24 A 1 ATOM 179 C C . GLY A 1 24 ? 15.769 1.123 -0.009 1.00 78.97 24 A 1 ATOM 180 O O . GLY A 1 24 ? 16.573 0.204 -0.144 1.00 75.26 24 A 1 ATOM 181 N N . SER A 1 25 ? 14.681 1.248 -0.766 1.00 78.00 25 A 1 ATOM 182 C CA . SER A 1 25 ? 14.386 0.324 -1.862 1.00 75.42 25 A 1 ATOM 183 C C . SER A 1 25 ? 15.289 0.622 -3.071 1.00 72.97 25 A 1 ATOM 184 O O . SER A 1 25 ? 14.838 1.139 -4.087 1.00 69.60 25 A 1 ATOM 185 C CB . SER A 1 25 ? 12.896 0.374 -2.210 1.00 74.82 25 A 1 ATOM 186 O OG . SER A 1 25 ? 12.520 -0.755 -2.979 1.00 67.11 25 A 1 ATOM 187 N N . CYS A 1 26 ? 16.570 0.312 -2.953 1.00 78.30 26 A 1 ATOM 188 C CA . CYS A 1 26 ? 17.515 0.167 -4.050 1.00 75.42 26 A 1 ATOM 189 C C . CYS A 1 26 ? 17.761 -1.322 -4.267 1.00 69.64 26 A 1 ATOM 190 O O . CYS A 1 26 ? 18.095 -2.019 -3.286 1.00 64.66 26 A 1 ATOM 191 C CB . CYS A 1 26 ? 18.820 0.912 -3.750 1.00 69.72 26 A 1 ATOM 192 S SG . CYS A 1 26 ? 18.572 2.712 -3.753 1.00 62.90 26 A 1 ATOM 193 O OXT . CYS A 1 26 ? 17.631 -1.802 -5.429 1.00 60.44 26 A 1 #