# 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_spkb19397 # _entry.id spkb19397 # 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" "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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 ALA 2 1 n ALA 3 1 n ALA 4 1 n GLN 5 1 n GLY 6 1 n LEU 7 1 n LEU 8 1 n PHE 9 1 n TRP 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n GLY 15 1 n PRO 16 1 n PRO 17 1 n CYS 18 1 n ARG 19 1 n VAL 20 1 n PRO 21 1 n GLY 22 # _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 @ 2025-07-05 03:39:10)" _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 89.30 _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 76.16 1 1 A ALA 2 2 87.68 1 2 A ALA 3 2 91.55 1 3 A ALA 4 2 94.42 1 4 A GLN 5 2 89.08 1 5 A GLY 6 2 94.98 1 6 A LEU 7 2 91.21 1 7 A LEU 8 2 91.94 1 8 A PHE 9 2 93.45 1 9 A TRP 10 2 90.64 1 10 A LEU 11 2 92.10 1 11 A LEU 12 2 92.83 1 12 A LEU 13 2 93.38 1 13 A LEU 14 2 92.18 1 14 A GLY 15 2 93.34 1 15 A PRO 16 2 91.42 1 16 A PRO 17 2 90.82 1 17 A CYS 18 2 86.69 1 18 A ARG 19 2 82.38 1 19 A VAL 20 2 86.46 1 20 A PRO 21 2 86.28 1 21 A GLY 22 2 77.32 1 22 # _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 ALA . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n TRP . 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 GLY . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n GLY . 22 A 22 # _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 ? -16.035 1.255 10.707 1.00 82.06 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.547 0.325 9.667 1.00 83.90 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.402 0.958 8.881 1.00 85.14 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.411 2.163 8.645 1.00 80.97 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.688 -0.026 8.708 1.00 77.17 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.719 -0.934 9.362 1.00 71.84 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.031 -1.376 8.225 1.00 68.59 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.922 -2.552 9.236 1.00 59.62 1 A 1 ATOM 9 N N . ALA A 1 2 ? -13.426 0.158 8.488 1.00 84.83 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -12.277 0.651 7.724 1.00 89.19 2 A 1 ATOM 11 C C . ALA A 1 2 ? -12.256 0.008 6.336 1.00 91.56 2 A 1 ATOM 12 O O . ALA A 1 2 ? -11.526 -0.950 6.095 1.00 88.74 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -10.992 0.346 8.479 1.00 84.08 2 A 1 ATOM 14 N N . ALA A 1 3 ? -13.068 0.536 5.442 1.00 89.70 3 A 1 ATOM 15 C CA . ALA A 1 3 ? -13.141 0.019 4.070 1.00 92.16 3 A 1 ATOM 16 C C . ALA A 1 3 ? -11.947 0.483 3.232 1.00 93.63 3 A 1 ATOM 17 O O . ALA A 1 3 ? -11.756 0.027 2.105 1.00 92.31 3 A 1 ATOM 18 C CB . ALA A 1 3 ? -14.453 0.464 3.427 1.00 89.97 3 A 1 ATOM 19 N N . ALA A 1 4 ? -11.151 1.381 3.779 1.00 95.02 4 A 1 ATOM 20 C CA . ALA A 1 4 ? -9.992 1.936 3.077 1.00 94.97 4 A 1 ATOM 21 C C . ALA A 1 4 ? -8.722 1.123 3.339 1.00 95.02 4 A 1 ATOM 22 O O . ALA A 1 4 ? -7.614 1.648 3.239 1.00 93.31 4 A 1 ATOM 23 C CB . ALA A 1 4 ? -9.796 3.390 3.492 1.00 93.76 4 A 1 ATOM 24 N N . GLN A 1 5 ? -8.882 -0.139 3.661 1.00 95.57 5 A 1 ATOM 25 C CA . GLN A 1 5 ? -7.724 -1.007 3.925 1.00 94.92 5 A 1 ATOM 26 C C . GLN A 1 5 ? -6.848 -1.127 2.683 1.00 95.36 5 A 1 ATOM 27 O O . GLN A 1 5 ? -5.624 -1.213 2.786 1.00 93.91 5 A 1 ATOM 28 C CB . GLN A 1 5 ? -8.200 -2.392 4.367 1.00 93.74 5 A 1 ATOM 29 C CG . GLN A 1 5 ? -8.663 -2.390 5.814 1.00 87.58 5 A 1 ATOM 30 C CD . GLN A 1 5 ? -8.264 -3.678 6.511 1.00 84.87 5 A 1 ATOM 31 O OE1 . GLN A 1 5 ? -8.879 -4.717 6.332 1.00 78.58 5 A 1 ATOM 32 N NE2 . GLN A 1 5 ? -7.199 -3.629 7.288 1.00 77.20 5 A 1 ATOM 33 N N . GLY A 1 6 ? -7.472 -1.110 1.522 1.00 95.53 6 A 1 ATOM 34 C CA . GLY A 1 6 ? -6.726 -1.159 0.264 1.00 94.95 6 A 1 ATOM 35 C C . GLY A 1 6 ? -5.789 0.027 0.126 1.00 95.44 6 A 1 ATOM 36 O O . GLY A 1 6 ? -4.660 -0.112 -0.345 1.00 93.99 6 A 1 ATOM 37 N N . LEU A 1 7 ? -6.252 1.196 0.556 1.00 95.10 7 A 1 ATOM 38 C CA . LEU A 1 7 ? -5.441 2.416 0.500 1.00 94.42 7 A 1 ATOM 39 C C . LEU A 1 7 ? -4.196 2.274 1.375 1.00 95.10 7 A 1 ATOM 40 O O . LEU A 1 7 ? -3.100 2.667 0.974 1.00 94.20 7 A 1 ATOM 41 C CB . LEU A 1 7 ? -6.282 3.611 0.956 1.00 93.96 7 A 1 ATOM 42 C CG . LEU A 1 7 ? -5.562 4.950 0.850 1.00 88.18 7 A 1 ATOM 43 C CD1 . LEU A 1 7 ? -5.377 5.344 -0.617 1.00 84.22 7 A 1 ATOM 44 C CD2 . LEU A 1 7 ? -6.341 6.026 1.580 1.00 84.51 7 A 1 ATOM 45 N N . LEU A 1 8 ? -4.369 1.705 2.552 1.00 94.72 8 A 1 ATOM 46 C CA . LEU A 1 8 ? -3.247 1.492 3.471 1.00 94.59 8 A 1 ATOM 47 C C . LEU A 1 8 ? -2.232 0.527 2.862 1.00 95.25 8 A 1 ATOM 48 O O . LEU A 1 8 ? -1.022 0.732 2.969 1.00 94.83 8 A 1 ATOM 49 C CB . LEU A 1 8 ? -3.772 0.944 4.800 1.00 94.46 8 A 1 ATOM 50 C CG . LEU A 1 8 ? -2.733 0.955 5.917 1.00 89.68 8 A 1 ATOM 51 C CD1 . LEU A 1 8 ? -2.470 2.384 6.396 1.00 85.84 8 A 1 ATOM 52 C CD2 . LEU A 1 8 ? -3.205 0.100 7.082 1.00 86.19 8 A 1 ATOM 53 N N . PHE A 1 9 ? -2.736 -0.511 2.216 1.00 94.79 9 A 1 ATOM 54 C CA . PHE A 1 9 ? -1.884 -1.502 1.556 1.00 94.81 9 A 1 ATOM 55 C C . PHE A 1 9 ? -1.076 -0.852 0.428 1.00 95.74 9 A 1 ATOM 56 O O . PHE A 1 9 ? 0.119 -1.107 0.277 1.00 95.47 9 A 1 ATOM 57 C CB . PHE A 1 9 ? -2.761 -2.627 1.008 1.00 94.73 9 A 1 ATOM 58 C CG . PHE A 1 9 ? -1.960 -3.719 0.343 1.00 93.95 9 A 1 ATOM 59 C CD1 . PHE A 1 9 ? -1.161 -4.565 1.097 1.00 92.27 9 A 1 ATOM 60 C CD2 . PHE A 1 9 ? -2.023 -3.893 -1.031 1.00 92.07 9 A 1 ATOM 61 C CE1 . PHE A 1 9 ? -0.428 -5.577 0.489 1.00 91.19 9 A 1 ATOM 62 C CE2 . PHE A 1 9 ? -1.288 -4.902 -1.647 1.00 90.76 9 A 1 ATOM 63 C CZ . PHE A 1 9 ? -0.490 -5.744 -0.888 1.00 92.21 9 A 1 ATOM 64 N N . TRP A 1 10 ? -1.742 -0.001 -0.359 1.00 94.04 10 A 1 ATOM 65 C CA . TRP A 1 10 ? -1.076 0.705 -1.455 1.00 94.07 10 A 1 ATOM 66 C C . TRP A 1 10 ? -0.017 1.662 -0.917 1.00 94.97 10 A 1 ATOM 67 O O . TRP A 1 10 ? 1.064 1.781 -1.498 1.00 93.99 10 A 1 ATOM 68 C CB . TRP A 1 10 ? -2.104 1.467 -2.294 1.00 93.67 10 A 1 ATOM 69 C CG . TRP A 1 10 ? -2.869 0.576 -3.219 1.00 91.53 10 A 1 ATOM 70 C CD1 . TRP A 1 10 ? -4.214 0.411 -3.242 1.00 88.57 10 A 1 ATOM 71 C CD2 . TRP A 1 10 ? -2.336 -0.273 -4.261 1.00 90.79 10 A 1 ATOM 72 N NE1 . TRP A 1 10 ? -4.552 -0.488 -4.232 1.00 87.34 10 A 1 ATOM 73 C CE2 . TRP A 1 10 ? -3.420 -0.926 -4.872 1.00 89.61 10 A 1 ATOM 74 C CE3 . TRP A 1 10 ? -1.049 -0.530 -4.736 1.00 89.32 10 A 1 ATOM 75 C CZ2 . TRP A 1 10 ? -3.241 -1.829 -5.930 1.00 89.45 10 A 1 ATOM 76 C CZ3 . TRP A 1 10 ? -0.870 -1.427 -5.792 1.00 85.64 10 A 1 ATOM 77 C CH2 . TRP A 1 10 ? -1.965 -2.068 -6.372 1.00 85.91 10 A 1 ATOM 78 N N . LEU A 1 11 ? -0.316 2.326 0.192 1.00 94.69 11 A 1 ATOM 79 C CA . LEU A 1 11 ? 0.628 3.261 0.805 1.00 94.14 11 A 1 ATOM 80 C C . LEU A 1 11 ? 1.908 2.541 1.221 1.00 95.00 11 A 1 ATOM 81 O O . LEU A 1 11 ? 3.004 3.085 1.075 1.00 94.32 11 A 1 ATOM 82 C CB . LEU A 1 11 ? -0.026 3.918 2.026 1.00 93.79 11 A 1 ATOM 83 C CG . LEU A 1 11 ? -0.994 5.041 1.656 1.00 89.69 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? -1.895 5.371 2.842 1.00 87.79 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? -0.229 6.284 1.224 1.00 87.38 11 A 1 ATOM 86 N N . LEU A 1 12 ? 1.765 1.323 1.714 1.00 94.73 12 A 1 ATOM 87 C CA . LEU A 1 12 ? 2.920 0.520 2.119 1.00 94.58 12 A 1 ATOM 88 C C . LEU A 1 12 ? 3.758 0.126 0.902 1.00 95.46 12 A 1 ATOM 89 O O . LEU A 1 12 ? 4.986 0.183 0.946 1.00 94.84 12 A 1 ATOM 90 C CB . LEU A 1 12 ? 2.439 -0.730 2.859 1.00 94.46 12 A 1 ATOM 91 C CG . LEU A 1 12 ? 3.567 -1.492 3.551 1.00 91.00 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? 3.983 -0.782 4.841 1.00 88.69 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? 3.133 -2.910 3.860 1.00 88.85 12 A 1 ATOM 94 N N . LEU A 1 13 ? 3.088 -0.268 -0.182 1.00 95.20 13 A 1 ATOM 95 C CA . LEU A 1 13 ? 3.769 -0.675 -1.409 1.00 95.12 13 A 1 ATOM 96 C C . LEU A 1 13 ? 4.413 0.516 -2.114 1.00 95.72 13 A 1 ATOM 97 O O . LEU A 1 13 ? 5.559 0.438 -2.562 1.00 94.92 13 A 1 ATOM 98 C CB . LEU A 1 13 ? 2.767 -1.354 -2.347 1.00 94.78 13 A 1 ATOM 99 C CG . LEU A 1 13 ? 2.444 -2.798 -1.971 1.00 91.97 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? 1.223 -3.270 -2.748 1.00 89.98 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? 3.627 -3.715 -2.261 1.00 89.34 13 A 1 ATOM 102 N N . LEU A 1 14 ? 3.675 1.619 -2.204 1.00 94.77 14 A 1 ATOM 103 C CA . LEU A 1 14 ? 4.159 2.816 -2.887 1.00 94.30 14 A 1 ATOM 104 C C . LEU A 1 14 ? 5.303 3.458 -2.112 1.00 94.91 14 A 1 ATOM 105 O O . LEU A 1 14 ? 6.248 3.975 -2.710 1.00 93.09 14 A 1 ATOM 106 C CB . LEU A 1 14 ? 3.005 3.805 -3.054 1.00 93.32 14 A 1 ATOM 107 C CG . LEU A 1 14 ? 1.952 3.349 -4.065 1.00 91.35 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? 0.696 4.195 -3.931 1.00 88.53 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? 2.502 3.437 -5.483 1.00 87.15 14 A 1 ATOM 110 N N . GLY A 1 15 ? 5.224 3.418 -0.788 1.00 93.42 15 A 1 ATOM 111 C CA . GLY A 1 15 ? 6.276 3.982 0.049 1.00 93.06 15 A 1 ATOM 112 C C . GLY A 1 15 ? 5.706 4.757 1.222 1.00 94.05 15 A 1 ATOM 113 O O . GLY A 1 15 ? 5.171 5.846 1.038 1.00 92.81 15 A 1 ATOM 114 N N . PRO A 1 16 ? 5.819 4.218 2.436 1.00 92.75 16 A 1 ATOM 115 C CA . PRO A 1 16 ? 5.340 4.885 3.649 1.00 92.48 16 A 1 ATOM 116 C C . PRO A 1 16 ? 6.092 6.195 3.895 1.00 93.09 16 A 1 ATOM 117 O O . PRO A 1 16 ? 7.136 6.433 3.279 1.00 91.07 16 A 1 ATOM 118 C CB . PRO A 1 16 ? 5.613 3.856 4.755 1.00 90.50 16 A 1 ATOM 119 C CG . PRO A 1 16 ? 6.640 2.935 4.201 1.00 88.42 16 A 1 ATOM 120 C CD . PRO A 1 16 ? 6.423 2.924 2.707 1.00 91.62 16 A 1 ATOM 121 N N . PRO A 1 17 ? 5.583 7.049 4.794 1.00 92.48 17 A 1 ATOM 122 C CA . PRO A 1 17 ? 6.208 8.349 5.069 1.00 91.88 17 A 1 ATOM 123 C C . PRO A 1 17 ? 7.638 8.244 5.589 1.00 92.55 17 A 1 ATOM 124 O O . PRO A 1 17 ? 8.427 9.176 5.425 1.00 89.73 17 A 1 ATOM 125 C CB . PRO A 1 17 ? 5.282 8.979 6.119 1.00 89.70 17 A 1 ATOM 126 C CG . PRO A 1 17 ? 4.539 7.831 6.716 1.00 87.89 17 A 1 ATOM 127 C CD . PRO A 1 17 ? 4.404 6.821 5.607 1.00 91.53 17 A 1 ATOM 128 N N . CYS A 1 18 ? 7.984 7.129 6.208 1.00 90.79 18 A 1 ATOM 129 C CA . CYS A 1 18 ? 9.331 6.939 6.749 1.00 89.94 18 A 1 ATOM 130 C C . CYS A 1 18 ? 10.308 6.423 5.699 1.00 90.68 18 A 1 ATOM 131 O O . CYS A 1 18 ? 11.501 6.310 5.968 1.00 86.87 18 A 1 ATOM 132 C CB . CYS A 1 18 ? 9.277 5.962 7.923 1.00 86.28 18 A 1 ATOM 133 S SG . CYS A 1 18 ? 8.571 4.369 7.456 1.00 75.57 18 A 1 ATOM 134 N N . ARG A 1 19 ? 9.816 6.120 4.511 1.00 89.01 19 A 1 ATOM 135 C CA . ARG A 1 19 ? 10.663 5.605 3.440 1.00 90.62 19 A 1 ATOM 136 C C . ARG A 1 19 ? 11.106 6.729 2.519 1.00 91.78 19 A 1 ATOM 137 O O . ARG A 1 19 ? 10.281 7.504 2.040 1.00 90.14 19 A 1 ATOM 138 C CB . ARG A 1 19 ? 9.906 4.540 2.644 1.00 88.88 19 A 1 ATOM 139 C CG . ARG A 1 19 ? 10.818 3.799 1.684 1.00 81.76 19 A 1 ATOM 140 C CD . ARG A 1 19 ? 10.049 2.770 0.884 1.00 80.80 19 A 1 ATOM 141 N NE . ARG A 1 19 ? 10.938 2.079 -0.057 1.00 77.48 19 A 1 ATOM 142 C CZ . ARG A 1 19 ? 10.574 1.651 -1.253 1.00 74.67 19 A 1 ATOM 143 N NH1 . ARG A 1 19 ? 9.346 1.818 -1.691 1.00 69.26 19 A 1 ATOM 144 N NH2 . ARG A 1 19 ? 11.457 1.054 -2.029 1.00 71.77 19 A 1 ATOM 145 N N . VAL A 1 20 ? 12.405 6.797 2.253 1.00 89.44 20 A 1 ATOM 146 C CA . VAL A 1 20 ? 12.957 7.823 1.368 1.00 89.47 20 A 1 ATOM 147 C C . VAL A 1 20 ? 13.376 7.183 0.047 1.00 90.96 20 A 1 ATOM 148 O O . VAL A 1 20 ? 14.218 6.284 0.044 1.00 89.26 20 A 1 ATOM 149 C CB . VAL A 1 20 ? 14.164 8.512 2.021 1.00 87.13 20 A 1 ATOM 150 C CG1 . VAL A 1 20 ? 14.725 9.585 1.098 1.00 78.81 20 A 1 ATOM 151 C CG2 . VAL A 1 20 ? 13.754 9.130 3.348 1.00 80.12 20 A 1 ATOM 152 N N . PRO A 1 21 ? 12.811 7.621 -1.070 1.00 88.95 21 A 1 ATOM 153 C CA . PRO A 1 21 ? 13.156 7.081 -2.381 1.00 88.35 21 A 1 ATOM 154 C C . PRO A 1 21 ? 14.560 7.507 -2.814 1.00 88.56 21 A 1 ATOM 155 O O . PRO A 1 21 ? 14.947 8.666 -2.656 1.00 82.91 21 A 1 ATOM 156 C CB . PRO A 1 21 ? 12.087 7.670 -3.310 1.00 85.39 21 A 1 ATOM 157 C CG . PRO A 1 21 ? 11.644 8.925 -2.632 1.00 83.07 21 A 1 ATOM 158 C CD . PRO A 1 21 ? 11.795 8.669 -1.144 1.00 86.76 21 A 1 ATOM 159 N N . GLY A 1 22 ? 15.336 6.575 -3.362 1.00 83.11 22 A 1 ATOM 160 C CA . GLY A 1 22 ? 16.685 6.877 -3.808 1.00 80.27 22 A 1 ATOM 161 C C . GLY A 1 22 ? 17.231 5.822 -4.743 1.00 77.20 22 A 1 ATOM 162 O O . GLY A 1 22 ? 16.535 4.837 -5.024 1.00 72.41 22 A 1 ATOM 163 O OXT . GLY A 1 22 ? 18.373 5.974 -5.228 1.00 73.61 22 A 1 #