# 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_spkb10961 # _entry.id spkb10961 # 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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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" "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" # _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 GLY 2 1 n LEU 3 1 n ARG 4 1 n GLY 5 1 n GLY 6 1 n GLY 7 1 n GLY 8 1 n ARG 9 1 n ALA 10 1 n GLY 11 1 n GLY 12 1 n PRO 13 1 n ALA 14 1 n PRO 15 1 n GLY 16 1 n TRP 17 1 n THR 18 1 n CYS 19 1 n LEU 20 1 n LEU 21 1 n LEU 22 1 n CYS 23 1 n ALA 24 1 n ALA 25 1 n LEU 26 1 n ARG 27 1 n SER 28 1 n LEU 29 1 n LEU 30 1 n ALA 31 # _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 @ 2025-07-03 09:19:23)" _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 88.08 _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 76.58 1 1 A GLY 2 2 83.91 1 2 A LEU 3 2 81.57 1 3 A ARG 4 2 72.63 1 4 A GLY 5 2 77.01 1 5 A GLY 6 2 76.03 1 6 A GLY 7 2 75.06 1 7 A GLY 8 2 72.72 1 8 A ARG 9 2 67.17 1 9 A ALA 10 2 77.82 1 10 A GLY 11 2 80.57 1 11 A GLY 12 2 86.50 1 12 A PRO 13 2 87.59 1 13 A ALA 14 2 92.21 1 14 A PRO 15 2 91.23 1 15 A GLY 16 2 95.94 1 16 A TRP 17 2 91.68 1 17 A THR 18 2 95.26 1 18 A CYS 19 2 96.13 1 19 A LEU 20 2 94.95 1 20 A LEU 21 2 94.71 1 21 A LEU 22 2 95.13 1 22 A CYS 23 2 96.93 1 23 A ALA 24 2 98.16 1 24 A ALA 25 2 98.30 1 25 A LEU 26 2 96.42 1 26 A ARG 27 2 90.84 1 27 A SER 28 2 97.43 1 28 A LEU 29 2 96.92 1 29 A LEU 30 2 95.88 1 30 A ALA 31 2 92.99 1 31 # _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 GLY . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n TRP . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n CYS . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n CYS . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n ARG . 27 A 27 A 28 1 n SER . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n ALA . 31 A 31 # _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 ? -33.207 2.545 15.257 1.00 81.55 1 A 1 ATOM 2 C CA . MET A 1 1 ? -31.788 2.777 15.615 1.00 83.69 1 A 1 ATOM 3 C C . MET A 1 1 ? -30.940 1.607 15.140 1.00 85.15 1 A 1 ATOM 4 O O . MET A 1 1 ? -31.355 0.476 15.331 1.00 76.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -31.624 2.936 17.135 1.00 79.20 1 A 1 ATOM 6 C CG . MET A 1 1 ? -32.156 4.278 17.661 1.00 75.57 1 A 1 ATOM 7 S SD . MET A 1 1 ? -31.931 4.440 19.448 1.00 71.36 1 A 1 ATOM 8 C CE . MET A 1 1 ? -32.559 6.099 19.735 1.00 59.40 1 A 1 ATOM 9 N N . GLY A 1 2 ? -29.773 1.859 14.528 1.00 83.00 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -28.679 0.879 14.449 1.00 84.83 2 A 1 ATOM 11 C C . GLY A 1 2 ? -28.473 0.118 13.145 1.00 85.98 2 A 1 ATOM 12 O O . GLY A 1 2 ? -28.206 -1.080 13.200 1.00 81.83 2 A 1 ATOM 13 N N . LEU A 1 3 ? -28.457 0.777 11.949 1.00 87.19 3 A 1 ATOM 14 C CA . LEU A 1 3 ? -27.794 0.218 10.764 1.00 86.47 3 A 1 ATOM 15 C C . LEU A 1 3 ? -26.274 0.389 10.921 1.00 88.07 3 A 1 ATOM 16 O O . LEU A 1 3 ? -25.677 1.302 10.351 1.00 84.62 3 A 1 ATOM 17 C CB . LEU A 1 3 ? -28.325 0.880 9.476 1.00 84.06 3 A 1 ATOM 18 C CG . LEU A 1 3 ? -29.784 0.563 9.130 1.00 78.51 3 A 1 ATOM 19 C CD1 . LEU A 1 3 ? -30.229 1.433 7.952 1.00 73.01 3 A 1 ATOM 20 C CD2 . LEU A 1 3 ? -29.981 -0.902 8.741 1.00 70.63 3 A 1 ATOM 21 N N . ARG A 1 4 ? -25.647 -0.451 11.748 1.00 84.23 4 A 1 ATOM 22 C CA . ARG A 1 4 ? -24.179 -0.581 11.737 1.00 83.72 4 A 1 ATOM 23 C C . ARG A 1 4 ? -23.794 -1.312 10.456 1.00 82.94 4 A 1 ATOM 24 O O . ARG A 1 4 ? -23.647 -2.529 10.443 1.00 75.69 4 A 1 ATOM 25 C CB . ARG A 1 4 ? -23.644 -1.257 13.009 1.00 80.76 4 A 1 ATOM 26 C CG . ARG A 1 4 ? -23.722 -0.324 14.229 1.00 73.90 4 A 1 ATOM 27 C CD . ARG A 1 4 ? -22.926 -0.912 15.400 1.00 73.55 4 A 1 ATOM 28 N NE . ARG A 1 4 ? -23.042 -0.072 16.615 1.00 66.22 4 A 1 ATOM 29 C CZ . ARG A 1 4 ? -22.237 -0.108 17.673 1.00 62.55 4 A 1 ATOM 30 N NH1 . ARG A 1 4 ? -21.211 -0.912 17.737 1.00 57.71 4 A 1 ATOM 31 N NH2 . ARG A 1 4 ? -22.466 0.669 18.695 1.00 57.64 4 A 1 ATOM 32 N N . GLY A 1 5 ? -23.723 -0.569 9.342 1.00 79.32 5 A 1 ATOM 33 C CA . GLY A 1 5 ? -23.301 -1.048 8.037 1.00 77.61 5 A 1 ATOM 34 C C . GLY A 1 5 ? -21.898 -1.646 8.081 1.00 78.39 5 A 1 ATOM 35 O O . GLY A 1 5 ? -21.049 -1.251 8.884 1.00 72.73 5 A 1 ATOM 36 N N . GLY A 1 6 ? -21.697 -2.638 7.208 1.00 77.65 6 A 1 ATOM 37 C CA . GLY A 1 6 ? -20.413 -3.304 7.054 1.00 76.63 6 A 1 ATOM 38 C C . GLY A 1 6 ? -19.310 -2.288 6.796 1.00 77.85 6 A 1 ATOM 39 O O . GLY A 1 6 ? -19.389 -1.502 5.858 1.00 71.98 6 A 1 ATOM 40 N N . GLY A 1 7 ? -18.298 -2.312 7.622 1.00 74.83 7 A 1 ATOM 41 C CA . GLY A 1 7 ? -17.052 -1.604 7.376 1.00 75.58 7 A 1 ATOM 42 C C . GLY A 1 7 ? -16.479 -2.128 6.072 1.00 77.31 7 A 1 ATOM 43 O O . GLY A 1 7 ? -15.887 -3.202 6.046 1.00 72.51 7 A 1 ATOM 44 N N . GLY A 1 8 ? -16.716 -1.380 4.976 1.00 72.22 8 A 1 ATOM 45 C CA . GLY A 1 8 ? -15.981 -1.577 3.749 1.00 72.60 8 A 1 ATOM 46 C C . GLY A 1 8 ? -14.515 -1.505 4.131 1.00 74.59 8 A 1 ATOM 47 O O . GLY A 1 8 ? -14.028 -0.455 4.545 1.00 71.46 8 A 1 ATOM 48 N N . ARG A 1 9 ? -13.823 -2.633 4.040 1.00 77.26 9 A 1 ATOM 49 C CA . ARG A 1 9 ? -12.372 -2.636 3.957 1.00 77.28 9 A 1 ATOM 50 C C . ARG A 1 9 ? -12.055 -1.873 2.682 1.00 77.92 9 A 1 ATOM 51 O O . ARG A 1 9 ? -11.963 -2.480 1.619 1.00 73.32 9 A 1 ATOM 52 C CB . ARG A 1 9 ? -11.808 -4.067 3.915 1.00 73.57 9 A 1 ATOM 53 C CG . ARG A 1 9 ? -11.846 -4.778 5.269 1.00 67.22 9 A 1 ATOM 54 C CD . ARG A 1 9 ? -11.173 -6.145 5.132 1.00 65.99 9 A 1 ATOM 55 N NE . ARG A 1 9 ? -11.180 -6.896 6.405 1.00 61.93 9 A 1 ATOM 56 C CZ . ARG A 1 9 ? -10.747 -8.139 6.571 1.00 56.33 9 A 1 ATOM 57 N NH1 . ARG A 1 9 ? -10.258 -8.839 5.581 1.00 53.65 9 A 1 ATOM 58 N NH2 . ARG A 1 9 ? -10.807 -8.706 7.748 1.00 54.37 9 A 1 ATOM 59 N N . ALA A 1 10 ? -11.984 -0.543 2.762 1.00 79.33 10 A 1 ATOM 60 C CA . ALA A 1 10 ? -11.243 0.225 1.794 1.00 78.81 10 A 1 ATOM 61 C C . ALA A 1 10 ? -9.898 -0.490 1.716 1.00 80.57 10 A 1 ATOM 62 O O . ALA A 1 10 ? -9.177 -0.562 2.712 1.00 75.63 10 A 1 ATOM 63 C CB . ALA A 1 10 ? -11.132 1.673 2.269 1.00 74.75 10 A 1 ATOM 64 N N . GLY A 1 11 ? -9.652 -1.140 0.586 1.00 80.77 11 A 1 ATOM 65 C CA . GLY A 1 11 ? -8.410 -1.838 0.312 1.00 80.28 11 A 1 ATOM 66 C C . GLY A 1 11 ? -7.300 -0.815 0.201 1.00 82.90 11 A 1 ATOM 67 O O . GLY A 1 11 ? -6.794 -0.560 -0.882 1.00 78.32 11 A 1 ATOM 68 N N . GLY A 1 12 ? -6.986 -0.178 1.317 1.00 83.80 12 A 1 ATOM 69 C CA . GLY A 1 12 ? -5.731 0.531 1.462 1.00 85.64 12 A 1 ATOM 70 C C . GLY A 1 12 ? -4.613 -0.461 1.150 1.00 89.13 12 A 1 ATOM 71 O O . GLY A 1 12 ? -4.781 -1.668 1.374 1.00 87.44 12 A 1 ATOM 72 N N . PRO A 1 13 ? -3.495 0.006 0.606 1.00 88.63 13 A 1 ATOM 73 C CA . PRO A 1 13 ? -2.357 -0.851 0.328 1.00 90.57 13 A 1 ATOM 74 C C . PRO A 1 13 ? -2.058 -1.658 1.592 1.00 92.79 13 A 1 ATOM 75 O O . PRO A 1 13 ? -1.932 -1.088 2.679 1.00 89.38 13 A 1 ATOM 76 C CB . PRO A 1 13 ? -1.219 0.085 -0.086 1.00 87.43 13 A 1 ATOM 77 C CG . PRO A 1 13 ? -1.621 1.457 0.450 1.00 80.28 13 A 1 ATOM 78 C CD . PRO A 1 13 ? -3.139 1.410 0.418 1.00 84.02 13 A 1 ATOM 79 N N . ALA A 1 14 ? -2.033 -2.986 1.467 1.00 91.21 14 A 1 ATOM 80 C CA . ALA A 1 14 ? -1.741 -3.855 2.597 1.00 92.65 14 A 1 ATOM 81 C C . ALA A 1 14 ? -0.464 -3.340 3.283 1.00 94.39 14 A 1 ATOM 82 O O . ALA A 1 14 ? 0.450 -2.906 2.577 1.00 93.27 14 A 1 ATOM 83 C CB . ALA A 1 14 ? -1.597 -5.297 2.104 1.00 89.51 14 A 1 ATOM 84 N N . PRO A 1 15 ? -0.378 -3.355 4.625 1.00 93.05 15 A 1 ATOM 85 C CA . PRO A 1 15 ? 0.743 -2.735 5.341 1.00 93.77 15 A 1 ATOM 86 C C . PRO A 1 15 ? 2.117 -3.194 4.828 1.00 95.03 15 A 1 ATOM 87 O O . PRO A 1 15 ? 3.067 -2.416 4.832 1.00 92.02 15 A 1 ATOM 88 C CB . PRO A 1 15 ? 0.508 -3.075 6.820 1.00 90.64 15 A 1 ATOM 89 C CG . PRO A 1 15 ? -0.538 -4.189 6.816 1.00 84.84 15 A 1 ATOM 90 C CD . PRO A 1 15 ? -1.333 -3.927 5.548 1.00 89.28 15 A 1 ATOM 91 N N . GLY A 1 16 ? 2.210 -4.410 4.290 1.00 95.52 16 A 1 ATOM 92 C CA . GLY A 1 16 ? 3.410 -4.899 3.602 1.00 95.80 16 A 1 ATOM 93 C C . GLY A 1 16 ? 3.682 -4.236 2.249 1.00 96.62 16 A 1 ATOM 94 O O . GLY A 1 16 ? 4.842 -4.111 1.859 1.00 95.80 16 A 1 ATOM 95 N N . TRP A 1 17 ? 2.626 -3.773 1.524 1.00 96.18 17 A 1 ATOM 96 C CA . TRP A 1 17 ? 2.787 -3.149 0.206 1.00 96.49 17 A 1 ATOM 97 C C . TRP A 1 17 ? 3.447 -1.778 0.306 1.00 97.19 17 A 1 ATOM 98 O O . TRP A 1 17 ? 4.338 -1.459 -0.481 1.00 96.56 17 A 1 ATOM 99 C CB . TRP A 1 17 ? 1.427 -3.062 -0.494 1.00 95.46 17 A 1 ATOM 100 C CG . TRP A 1 17 ? 1.531 -2.672 -1.929 1.00 92.88 17 A 1 ATOM 101 C CD1 . TRP A 1 17 ? 1.207 -1.467 -2.457 1.00 89.10 17 A 1 ATOM 102 C CD2 . TRP A 1 17 ? 2.017 -3.494 -3.037 1.00 91.37 17 A 1 ATOM 103 N NE1 . TRP A 1 17 ? 1.461 -1.483 -3.828 1.00 89.00 17 A 1 ATOM 104 C CE2 . TRP A 1 17 ? 1.960 -2.711 -4.214 1.00 91.30 17 A 1 ATOM 105 C CE3 . TRP A 1 17 ? 2.492 -4.813 -3.139 1.00 88.28 17 A 1 ATOM 106 C CZ2 . TRP A 1 17 ? 2.370 -3.225 -5.471 1.00 88.08 17 A 1 ATOM 107 C CZ3 . TRP A 1 17 ? 2.896 -5.325 -4.393 1.00 86.22 17 A 1 ATOM 108 C CH2 . TRP A 1 17 ? 2.838 -4.531 -5.540 1.00 85.41 17 A 1 ATOM 109 N N . THR A 1 18 ? 3.086 -0.982 1.330 1.00 97.11 18 A 1 ATOM 110 C CA . THR A 1 18 ? 3.740 0.302 1.616 1.00 97.09 18 A 1 ATOM 111 C C . THR A 1 18 ? 5.229 0.120 1.918 1.00 97.59 18 A 1 ATOM 112 O O . THR A 1 18 ? 6.042 0.916 1.459 1.00 97.35 18 A 1 ATOM 113 C CB . THR A 1 18 ? 3.060 0.992 2.800 1.00 96.24 18 A 1 ATOM 114 O OG1 . THR A 1 18 ? 1.663 1.023 2.593 1.00 91.06 18 A 1 ATOM 115 C CG2 . THR A 1 18 ? 3.526 2.433 2.976 1.00 90.39 18 A 1 ATOM 116 N N . CYS A 1 19 ? 5.598 -0.940 2.632 1.00 97.64 19 A 1 ATOM 117 C CA . CYS A 1 19 ? 7.000 -1.270 2.886 1.00 97.76 19 A 1 ATOM 118 C C . CYS A 1 19 ? 7.742 -1.610 1.586 1.00 98.00 19 A 1 ATOM 119 O O . CYS A 1 19 ? 8.834 -1.098 1.356 1.00 97.74 19 A 1 ATOM 120 C CB . CYS A 1 19 ? 7.068 -2.418 3.896 1.00 97.28 19 A 1 ATOM 121 S SG . CYS A 1 19 ? 8.796 -2.720 4.385 1.00 88.39 19 A 1 ATOM 122 N N . LEU A 1 20 ? 7.131 -2.402 0.695 1.00 97.51 20 A 1 ATOM 123 C CA . LEU A 1 20 ? 7.719 -2.736 -0.605 1.00 97.42 20 A 1 ATOM 124 C C . LEU A 1 20 ? 7.918 -1.499 -1.487 1.00 97.76 20 A 1 ATOM 125 O O . LEU A 1 20 ? 8.982 -1.355 -2.090 1.00 97.68 20 A 1 ATOM 126 C CB . LEU A 1 20 ? 6.835 -3.762 -1.329 1.00 97.06 20 A 1 ATOM 127 C CG . LEU A 1 20 ? 6.836 -5.165 -0.702 1.00 92.22 20 A 1 ATOM 128 C CD1 . LEU A 1 20 ? 5.814 -6.041 -1.426 1.00 89.67 20 A 1 ATOM 129 C CD2 . LEU A 1 20 ? 8.212 -5.834 -0.802 1.00 90.30 20 A 1 ATOM 130 N N . LEU A 1 21 ? 6.937 -0.586 -1.524 1.00 96.97 21 A 1 ATOM 131 C CA . LEU A 1 21 ? 7.054 0.675 -2.253 1.00 96.83 21 A 1 ATOM 132 C C . LEU A 1 21 ? 8.157 1.564 -1.675 1.00 97.37 21 A 1 ATOM 133 O O . LEU A 1 21 ? 8.937 2.138 -2.434 1.00 97.42 21 A 1 ATOM 134 C CB . LEU A 1 21 ? 5.707 1.409 -2.231 1.00 96.34 21 A 1 ATOM 135 C CG . LEU A 1 21 ? 4.604 0.761 -3.085 1.00 92.15 21 A 1 ATOM 136 C CD1 . LEU A 1 21 ? 3.298 1.529 -2.881 1.00 90.01 21 A 1 ATOM 137 C CD2 . LEU A 1 21 ? 4.950 0.775 -4.575 1.00 90.55 21 A 1 ATOM 138 N N . LEU A 1 22 ? 8.262 1.641 -0.339 1.00 97.40 22 A 1 ATOM 139 C CA . LEU A 1 22 ? 9.325 2.383 0.329 1.00 97.28 22 A 1 ATOM 140 C C . LEU A 1 22 ? 10.703 1.793 0.019 1.00 97.82 22 A 1 ATOM 141 O O . LEU A 1 22 ? 11.624 2.531 -0.327 1.00 97.81 22 A 1 ATOM 142 C CB . LEU A 1 22 ? 9.041 2.407 1.837 1.00 96.90 22 A 1 ATOM 143 C CG . LEU A 1 22 ? 10.048 3.241 2.640 1.00 92.40 22 A 1 ATOM 144 C CD1 . LEU A 1 22 ? 10.000 4.725 2.269 1.00 90.23 22 A 1 ATOM 145 C CD2 . LEU A 1 22 ? 9.749 3.098 4.130 1.00 91.17 22 A 1 ATOM 146 N N . CYS A 1 23 ? 10.853 0.463 0.068 1.00 97.60 23 A 1 ATOM 147 C CA . CYS A 1 23 ? 12.098 -0.213 -0.292 1.00 97.57 23 A 1 ATOM 148 C C . CYS A 1 23 ? 12.474 0.016 -1.764 1.00 97.87 23 A 1 ATOM 149 O O . CYS A 1 23 ? 13.647 0.230 -2.068 1.00 97.62 23 A 1 ATOM 150 C CB . CYS A 1 23 ? 11.959 -1.714 -0.005 1.00 97.03 23 A 1 ATOM 151 S SG . CYS A 1 23 ? 11.926 -2.031 1.784 1.00 93.90 23 A 1 ATOM 152 N N . ALA A 1 24 ? 11.490 -0.002 -2.678 1.00 98.30 24 A 1 ATOM 153 C CA . ALA A 1 24 ? 11.726 0.298 -4.088 1.00 98.21 24 A 1 ATOM 154 C C . ALA A 1 24 ? 12.186 1.749 -4.292 1.00 98.35 24 A 1 ATOM 155 O O . ALA A 1 24 ? 13.167 1.976 -5.002 1.00 98.07 24 A 1 ATOM 156 C CB . ALA A 1 24 ? 10.450 -0.018 -4.879 1.00 97.85 24 A 1 ATOM 157 N N . ALA A 1 25 ? 11.534 2.717 -3.621 1.00 98.42 25 A 1 ATOM 158 C CA . ALA A 1 25 ? 11.922 4.124 -3.680 1.00 98.36 25 A 1 ATOM 159 C C . ALA A 1 25 ? 13.342 4.353 -3.135 1.00 98.44 25 A 1 ATOM 160 O O . ALA A 1 25 ? 14.151 5.011 -3.789 1.00 98.12 25 A 1 ATOM 161 C CB . ALA A 1 25 ? 10.881 4.951 -2.914 1.00 98.14 25 A 1 ATOM 162 N N . LEU A 1 26 ? 13.672 3.755 -1.986 1.00 98.54 26 A 1 ATOM 163 C CA . LEU A 1 26 ? 15.012 3.849 -1.397 1.00 98.44 26 A 1 ATOM 164 C C . LEU A 1 26 ? 16.087 3.260 -2.317 1.00 98.50 26 A 1 ATOM 165 O O . LEU A 1 26 ? 17.151 3.858 -2.478 1.00 98.22 26 A 1 ATOM 166 C CB . LEU A 1 26 ? 15.028 3.133 -0.036 1.00 98.25 26 A 1 ATOM 167 C CG . LEU A 1 26 ? 14.263 3.868 1.080 1.00 95.84 26 A 1 ATOM 168 C CD1 . LEU A 1 26 ? 14.176 2.962 2.312 1.00 91.10 26 A 1 ATOM 169 C CD2 . LEU A 1 26 ? 14.944 5.176 1.486 1.00 92.43 26 A 1 ATOM 170 N N . ARG A 1 27 ? 15.802 2.114 -2.964 1.00 98.56 27 A 1 ATOM 171 C CA . ARG A 1 27 ? 16.711 1.531 -3.964 1.00 98.45 27 A 1 ATOM 172 C C . ARG A 1 27 ? 16.911 2.448 -5.165 1.00 98.58 27 A 1 ATOM 173 O O . ARG A 1 27 ? 18.037 2.559 -5.636 1.00 98.34 27 A 1 ATOM 174 C CB . ARG A 1 27 ? 16.171 0.182 -4.437 1.00 98.01 27 A 1 ATOM 175 C CG . ARG A 1 27 ? 16.476 -0.939 -3.430 1.00 92.26 27 A 1 ATOM 176 C CD . ARG A 1 27 ? 15.730 -2.223 -3.826 1.00 89.93 27 A 1 ATOM 177 N NE . ARG A 1 27 ? 16.018 -2.557 -5.245 1.00 86.26 27 A 1 ATOM 178 C CZ . ARG A 1 27 ? 15.723 -3.690 -5.865 1.00 84.38 27 A 1 ATOM 179 N NH1 . ARG A 1 27 ? 15.174 -4.693 -5.244 1.00 75.23 27 A 1 ATOM 180 N NH2 . ARG A 1 27 ? 15.971 -3.809 -7.141 1.00 79.29 27 A 1 ATOM 181 N N . SER A 1 28 ? 15.856 3.113 -5.643 1.00 98.61 28 A 1 ATOM 182 C CA . SER A 1 28 ? 15.946 4.048 -6.765 1.00 98.54 28 A 1 ATOM 183 C C . SER A 1 28 ? 16.716 5.326 -6.418 1.00 98.62 28 A 1 ATOM 184 O O . SER A 1 28 ? 17.330 5.913 -7.298 1.00 98.20 28 A 1 ATOM 185 C CB . SER A 1 28 ? 14.548 4.426 -7.256 1.00 98.14 28 A 1 ATOM 186 O OG . SER A 1 28 ? 13.834 3.265 -7.673 1.00 92.50 28 A 1 ATOM 187 N N . LEU A 1 29 ? 16.693 5.746 -5.146 1.00 98.57 29 A 1 ATOM 188 C CA . LEU A 1 29 ? 17.469 6.899 -4.671 1.00 98.44 29 A 1 ATOM 189 C C . LEU A 1 29 ? 18.949 6.561 -4.437 1.00 98.54 29 A 1 ATOM 190 O O . LEU A 1 29 ? 19.787 7.463 -4.437 1.00 98.07 29 A 1 ATOM 191 C CB . LEU A 1 29 ? 16.843 7.425 -3.367 1.00 98.21 29 A 1 ATOM 192 C CG . LEU A 1 29 ? 15.473 8.110 -3.542 1.00 96.95 29 A 1 ATOM 193 C CD1 . LEU A 1 29 ? 14.863 8.387 -2.166 1.00 92.91 29 A 1 ATOM 194 C CD2 . LEU A 1 29 ? 15.588 9.435 -4.292 1.00 93.67 29 A 1 ATOM 195 N N . LEU A 1 30 ? 19.260 5.278 -4.199 1.00 97.99 30 A 1 ATOM 196 C CA . LEU A 1 30 ? 20.622 4.811 -3.934 1.00 97.73 30 A 1 ATOM 197 C C . LEU A 1 30 ? 21.368 4.398 -5.213 1.00 97.96 30 A 1 ATOM 198 O O . LEU A 1 30 ? 22.591 4.228 -5.167 1.00 97.31 30 A 1 ATOM 199 C CB . LEU A 1 30 ? 20.532 3.654 -2.919 1.00 97.25 30 A 1 ATOM 200 C CG . LEU A 1 30 ? 21.862 3.283 -2.248 1.00 96.04 30 A 1 ATOM 201 C CD1 . LEU A 1 30 ? 22.327 4.357 -1.259 1.00 91.39 30 A 1 ATOM 202 C CD2 . LEU A 1 30 ? 21.701 1.971 -1.477 1.00 91.35 30 A 1 ATOM 203 N N . ALA A 1 31 ? 20.648 4.220 -6.335 1.00 96.94 31 A 1 ATOM 204 C CA . ALA A 1 31 ? 21.201 3.820 -7.633 1.00 96.07 31 A 1 ATOM 205 C C . ALA A 1 31 ? 21.608 5.035 -8.466 1.00 94.94 31 A 1 ATOM 206 O O . ALA A 1 31 ? 22.661 4.948 -9.137 1.00 91.98 31 A 1 ATOM 207 C CB . ALA A 1 31 ? 20.155 2.962 -8.357 1.00 93.54 31 A 1 ATOM 208 O OXT . ALA A 1 31 ? 20.852 6.040 -8.448 1.00 84.49 31 A 1 #