# 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_spkb42739 # _entry.id spkb42739 # 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" "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 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" "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" "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 MET 2 1 n SER 3 1 n LYS 4 1 n LEU 5 1 n GLY 6 1 n VAL 7 1 n LEU 8 1 n LEU 9 1 n THR 10 1 n ILE 11 1 n CYS 12 1 n MET 13 1 n LEU 14 1 n LEU 15 1 n PHE 16 1 n PRO 17 1 n LEU 18 1 n THR 19 1 n ALA 20 # _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 20:32:40)" _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 90.95 _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 75.80 1 1 A MET 2 2 77.88 1 2 A SER 3 2 87.94 1 3 A LYS 4 2 86.53 1 4 A LEU 5 2 91.11 1 5 A GLY 6 2 95.32 1 6 A VAL 7 2 95.01 1 7 A LEU 8 2 93.96 1 8 A LEU 9 2 93.86 1 9 A THR 10 2 94.79 1 10 A ILE 11 2 94.63 1 11 A CYS 12 2 95.42 1 12 A MET 13 2 92.04 1 13 A LEU 14 2 94.66 1 14 A LEU 15 2 94.11 1 15 A PHE 16 2 92.97 1 16 A PRO 17 2 95.62 1 17 A LEU 18 2 92.17 1 18 A THR 19 2 90.15 1 19 A ALA 20 2 88.21 1 20 # _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 MET . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -16.430 1.246 4.248 1.00 81.37 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.647 0.262 5.017 1.00 83.35 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.198 0.267 4.551 1.00 85.18 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.902 -0.163 3.442 1.00 80.19 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.237 -1.138 4.855 1.00 77.41 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.756 -2.109 5.918 1.00 72.54 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.595 -3.693 5.810 1.00 66.85 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.046 -4.450 7.320 1.00 59.49 1 A 1 ATOM 9 N N . MET A 1 2 ? -13.283 0.773 5.374 1.00 84.75 2 A 1 ATOM 10 C CA . MET A 1 2 ? -11.868 0.871 5.021 1.00 86.47 2 A 1 ATOM 11 C C . MET A 1 2 ? -11.042 -0.153 5.791 1.00 87.80 2 A 1 ATOM 12 O O . MET A 1 2 ? -11.223 -0.324 6.992 1.00 81.99 2 A 1 ATOM 13 C CB . MET A 1 2 ? -11.341 2.270 5.328 1.00 80.16 2 A 1 ATOM 14 C CG . MET A 1 2 ? -11.989 3.342 4.481 1.00 74.24 2 A 1 ATOM 15 S SD . MET A 1 2 ? -11.361 4.981 4.870 1.00 68.00 2 A 1 ATOM 16 C CE . MET A 1 2 ? -12.247 5.955 3.678 1.00 59.66 2 A 1 ATOM 17 N N . SER A 1 3 ? -10.129 -0.806 5.099 1.00 88.99 3 A 1 ATOM 18 C CA . SER A 1 3 ? -9.248 -1.785 5.726 1.00 91.59 3 A 1 ATOM 19 C C . SER A 1 3 ? -7.950 -1.111 6.165 1.00 93.32 3 A 1 ATOM 20 O O . SER A 1 3 ? -7.248 -0.520 5.345 1.00 90.67 3 A 1 ATOM 21 C CB . SER A 1 3 ? -8.933 -2.917 4.759 1.00 86.98 3 A 1 ATOM 22 O OG . SER A 1 3 ? -10.118 -3.582 4.362 1.00 76.08 3 A 1 ATOM 23 N N . LYS A 1 4 ? -7.650 -1.197 7.451 1.00 91.91 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -6.430 -0.591 7.991 1.00 93.91 4 A 1 ATOM 25 C C . LYS A 1 4 ? -5.203 -1.091 7.241 1.00 94.28 4 A 1 ATOM 26 O O . LYS A 1 4 ? -4.311 -0.313 6.903 1.00 93.42 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -6.302 -0.922 9.476 1.00 92.91 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -7.057 0.051 10.368 1.00 86.14 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -6.278 1.339 10.539 1.00 82.42 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -6.943 2.269 11.535 1.00 76.17 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -6.099 3.456 11.822 1.00 67.60 4 A 1 ATOM 32 N N . LEU A 1 5 ? -5.171 -2.385 6.975 1.00 94.18 5 A 1 ATOM 33 C CA . LEU A 1 5 ? -4.056 -2.993 6.257 1.00 94.78 5 A 1 ATOM 34 C C . LEU A 1 5 ? -3.973 -2.463 4.831 1.00 95.53 5 A 1 ATOM 35 O O . LEU A 1 5 ? -2.883 -2.246 4.304 1.00 94.67 5 A 1 ATOM 36 C CB . LEU A 1 5 ? -4.221 -4.514 6.242 1.00 93.89 5 A 1 ATOM 37 C CG . LEU A 1 5 ? -4.174 -5.162 7.624 1.00 88.68 5 A 1 ATOM 38 C CD1 . LEU A 1 5 ? -4.490 -6.643 7.513 1.00 83.75 5 A 1 ATOM 39 C CD2 . LEU A 1 5 ? -2.813 -4.958 8.261 1.00 83.40 5 A 1 ATOM 40 N N . GLY A 1 6 ? -5.126 -2.255 4.214 1.00 94.62 6 A 1 ATOM 41 C CA . GLY A 1 6 ? -5.172 -1.728 2.853 1.00 95.05 6 A 1 ATOM 42 C C . GLY A 1 6 ? -4.617 -0.322 2.768 1.00 96.04 6 A 1 ATOM 43 O O . GLY A 1 6 ? -3.841 0.001 1.868 1.00 95.58 6 A 1 ATOM 44 N N . VAL A 1 7 ? -5.008 0.528 3.710 1.00 95.94 7 A 1 ATOM 45 C CA . VAL A 1 7 ? -4.531 1.910 3.749 1.00 96.31 7 A 1 ATOM 46 C C . VAL A 1 7 ? -3.022 1.953 3.961 1.00 96.55 7 A 1 ATOM 47 O O . VAL A 1 7 ? -2.305 2.681 3.273 1.00 95.99 7 A 1 ATOM 48 C CB . VAL A 1 7 ? -5.225 2.698 4.869 1.00 95.78 7 A 1 ATOM 49 C CG1 . VAL A 1 7 ? -4.651 4.104 4.973 1.00 92.17 7 A 1 ATOM 50 C CG2 . VAL A 1 7 ? -6.718 2.758 4.621 1.00 92.30 7 A 1 ATOM 51 N N . LEU A 1 8 ? -2.554 1.171 4.909 1.00 96.59 8 A 1 ATOM 52 C CA . LEU A 1 8 ? -1.126 1.114 5.213 1.00 96.45 8 A 1 ATOM 53 C C . LEU A 1 8 ? -0.334 0.607 4.016 1.00 96.69 8 A 1 ATOM 54 O O . LEU A 1 8 ? 0.723 1.144 3.685 1.00 96.68 8 A 1 ATOM 55 C CB . LEU A 1 8 ? -0.885 0.202 6.416 1.00 96.49 8 A 1 ATOM 56 C CG . LEU A 1 8 ? 0.572 0.132 6.869 1.00 91.06 8 A 1 ATOM 57 C CD1 . LEU A 1 8 ? 1.061 1.498 7.329 1.00 87.93 8 A 1 ATOM 58 C CD2 . LEU A 1 8 ? 0.728 -0.886 7.986 1.00 89.81 8 A 1 ATOM 59 N N . LEU A 1 9 ? -0.848 -0.422 3.370 1.00 96.28 9 A 1 ATOM 60 C CA . LEU A 1 9 ? -0.190 -1.009 2.205 1.00 96.12 9 A 1 ATOM 61 C C . LEU A 1 9 ? -0.098 0.004 1.070 1.00 96.58 9 A 1 ATOM 62 O O . LEU A 1 9 ? 0.932 0.116 0.405 1.00 96.57 9 A 1 ATOM 63 C CB . LEU A 1 9 ? -0.964 -2.242 1.742 1.00 95.80 9 A 1 ATOM 64 C CG . LEU A 1 9 ? -0.319 -2.984 0.576 1.00 91.47 9 A 1 ATOM 65 C CD1 . LEU A 1 9 ? 1.040 -3.531 0.977 1.00 88.50 9 A 1 ATOM 66 C CD2 . LEU A 1 9 ? -1.224 -4.111 0.111 1.00 89.59 9 A 1 ATOM 67 N N . THR A 1 10 ? -1.171 0.745 0.856 1.00 96.28 10 A 1 ATOM 68 C CA . THR A 1 10 ? -1.209 1.753 -0.202 1.00 96.48 10 A 1 ATOM 69 C C . THR A 1 10 ? -0.151 2.826 0.044 1.00 96.82 10 A 1 ATOM 70 O O . THR A 1 10 ? 0.568 3.231 -0.873 1.00 96.31 10 A 1 ATOM 71 C CB . THR A 1 10 ? -2.588 2.416 -0.267 1.00 96.02 10 A 1 ATOM 72 O OG1 . THR A 1 10 ? -3.588 1.434 -0.509 1.00 91.61 10 A 1 ATOM 73 C CG2 . THR A 1 10 ? -2.634 3.445 -1.387 1.00 90.01 10 A 1 ATOM 74 N N . ILE A 1 11 ? -0.056 3.291 1.280 1.00 96.31 11 A 1 ATOM 75 C CA . ILE A 1 11 ? 0.924 4.308 1.646 1.00 95.80 11 A 1 ATOM 76 C C . ILE A 1 11 ? 2.338 3.779 1.438 1.00 96.05 11 A 1 ATOM 77 O O . ILE A 1 11 ? 3.205 4.485 0.920 1.00 95.58 11 A 1 ATOM 78 C CB . ILE A 1 11 ? 0.734 4.742 3.111 1.00 95.69 11 A 1 ATOM 79 C CG1 . ILE A 1 11 ? -0.616 5.440 3.285 1.00 94.04 11 A 1 ATOM 80 C CG2 . ILE A 1 11 ? 1.864 5.678 3.536 1.00 93.60 11 A 1 ATOM 81 C CD1 . ILE A 1 11 ? -0.993 5.675 4.732 1.00 89.94 11 A 1 ATOM 82 N N . CYS A 1 12 ? 2.568 2.543 1.835 1.00 96.41 12 A 1 ATOM 83 C CA . CYS A 1 12 ? 3.881 1.927 1.688 1.00 96.14 12 A 1 ATOM 84 C C . CYS A 1 12 ? 4.291 1.842 0.223 1.00 96.26 12 A 1 ATOM 85 O O . CYS A 1 12 ? 5.427 2.135 -0.129 1.00 95.52 12 A 1 ATOM 86 C CB . CYS A 1 12 ? 3.871 0.527 2.304 1.00 95.70 12 A 1 ATOM 87 S SG . CYS A 1 12 ? 3.791 0.569 4.102 1.00 92.50 12 A 1 ATOM 88 N N . MET A 1 13 ? 3.353 1.440 -0.628 1.00 96.34 13 A 1 ATOM 89 C CA . MET A 1 13 ? 3.626 1.313 -2.057 1.00 95.77 13 A 1 ATOM 90 C C . MET A 1 13 ? 3.960 2.664 -2.683 1.00 96.32 13 A 1 ATOM 91 O O . MET A 1 13 ? 4.795 2.752 -3.579 1.00 95.20 13 A 1 ATOM 92 C CB . MET A 1 13 ? 2.422 0.700 -2.770 1.00 95.05 13 A 1 ATOM 93 C CG . MET A 1 13 ? 2.285 -0.787 -2.495 1.00 92.82 13 A 1 ATOM 94 S SD . MET A 1 13 ? 1.025 -1.557 -3.512 1.00 85.64 13 A 1 ATOM 95 C CE . MET A 1 13 ? 1.355 -3.275 -3.165 1.00 79.20 13 A 1 ATOM 96 N N . LEU A 1 14 ? 3.299 3.715 -2.205 1.00 96.58 14 A 1 ATOM 97 C CA . LEU A 1 14 ? 3.529 5.056 -2.728 1.00 96.58 14 A 1 ATOM 98 C C . LEU A 1 14 ? 4.756 5.696 -2.091 1.00 97.06 14 A 1 ATOM 99 O O . LEU A 1 14 ? 5.457 6.486 -2.731 1.00 96.33 14 A 1 ATOM 100 C CB . LEU A 1 14 ? 2.298 5.926 -2.458 1.00 96.47 14 A 1 ATOM 101 C CG . LEU A 1 14 ? 1.022 5.449 -3.147 1.00 93.13 14 A 1 ATOM 102 C CD1 . LEU A 1 14 ? -0.171 6.254 -2.660 1.00 90.04 14 A 1 ATOM 103 C CD2 . LEU A 1 14 ? 1.158 5.569 -4.656 1.00 91.08 14 A 1 ATOM 104 N N . LEU A 1 15 ? 5.007 5.364 -0.842 1.00 96.44 15 A 1 ATOM 105 C CA . LEU A 1 15 ? 6.127 5.918 -0.092 1.00 96.27 15 A 1 ATOM 106 C C . LEU A 1 15 ? 7.452 5.281 -0.480 1.00 96.51 15 A 1 ATOM 107 O O . LEU A 1 15 ? 8.466 5.970 -0.612 1.00 95.70 15 A 1 ATOM 108 C CB . LEU A 1 15 ? 5.884 5.723 1.402 1.00 95.97 15 A 1 ATOM 109 C CG . LEU A 1 15 ? 7.014 6.214 2.296 1.00 93.40 15 A 1 ATOM 110 C CD1 . LEU A 1 15 ? 7.145 7.727 2.198 1.00 89.21 15 A 1 ATOM 111 C CD2 . LEU A 1 15 ? 6.760 5.800 3.732 1.00 89.35 15 A 1 ATOM 112 N N . PHE A 1 16 ? 7.446 3.970 -0.669 1.00 95.79 16 A 1 ATOM 113 C CA . PHE A 1 16 ? 8.655 3.222 -0.997 1.00 95.64 16 A 1 ATOM 114 C C . PHE A 1 16 ? 9.422 3.814 -2.185 1.00 96.39 16 A 1 ATOM 115 O O . PHE A 1 16 ? 10.599 4.151 -2.047 1.00 95.91 16 A 1 ATOM 116 C CB . PHE A 1 16 ? 8.296 1.758 -1.266 1.00 94.79 16 A 1 ATOM 117 C CG . PHE A 1 16 ? 9.480 0.917 -1.642 1.00 93.11 16 A 1 ATOM 118 C CD1 . PHE A 1 16 ? 10.396 0.532 -0.682 1.00 90.41 16 A 1 ATOM 119 C CD2 . PHE A 1 16 ? 9.670 0.517 -2.952 1.00 90.87 16 A 1 ATOM 120 C CE1 . PHE A 1 16 ? 11.489 -0.243 -1.018 1.00 89.84 16 A 1 ATOM 121 C CE2 . PHE A 1 16 ? 10.765 -0.258 -3.300 1.00 89.86 16 A 1 ATOM 122 C CZ . PHE A 1 16 ? 11.676 -0.638 -2.331 1.00 90.03 16 A 1 ATOM 123 N N . PRO A 1 17 ? 8.796 3.941 -3.355 1.00 96.56 17 A 1 ATOM 124 C CA . PRO A 1 17 ? 9.490 4.464 -4.538 1.00 96.34 17 A 1 ATOM 125 C C . PRO A 1 17 ? 9.908 5.921 -4.394 1.00 96.56 17 A 1 ATOM 126 O O . PRO A 1 17 ? 10.898 6.350 -4.981 1.00 95.26 17 A 1 ATOM 127 C CB . PRO A 1 17 ? 8.462 4.302 -5.662 1.00 95.02 17 A 1 ATOM 128 C CG . PRO A 1 17 ? 7.148 4.294 -4.962 1.00 93.77 17 A 1 ATOM 129 C CD . PRO A 1 17 ? 7.400 3.635 -3.635 1.00 95.80 17 A 1 ATOM 130 N N . LEU A 1 18 ? 9.165 6.690 -3.615 1.00 95.30 18 A 1 ATOM 131 C CA . LEU A 1 18 ? 9.468 8.100 -3.405 1.00 95.08 18 A 1 ATOM 132 C C . LEU A 1 18 ? 10.612 8.281 -2.418 1.00 95.45 18 A 1 ATOM 133 O O . LEU A 1 18 ? 11.379 9.240 -2.520 1.00 94.25 18 A 1 ATOM 134 C CB . LEU A 1 18 ? 8.223 8.826 -2.890 1.00 94.32 18 A 1 ATOM 135 C CG . LEU A 1 18 ? 7.053 8.837 -3.868 1.00 91.67 18 A 1 ATOM 136 C CD1 . LEU A 1 18 ? 5.825 9.443 -3.208 1.00 86.07 18 A 1 ATOM 137 C CD2 . LEU A 1 18 ? 7.420 9.621 -5.118 1.00 85.20 18 A 1 ATOM 138 N N . THR A 1 19 ? 10.721 7.367 -1.472 1.00 93.78 19 A 1 ATOM 139 C CA . THR A 1 19 ? 11.763 7.429 -0.445 1.00 93.09 19 A 1 ATOM 140 C C . THR A 1 19 ? 12.959 6.550 -0.801 1.00 92.87 19 A 1 ATOM 141 O O . THR A 1 19 ? 13.927 6.463 -0.047 1.00 90.80 19 A 1 ATOM 142 C CB . THR A 1 19 ? 11.202 6.996 0.914 1.00 91.10 19 A 1 ATOM 143 O OG1 . THR A 1 19 ? 9.950 7.640 1.140 1.00 85.49 19 A 1 ATOM 144 C CG2 . THR A 1 19 ? 12.138 7.364 2.043 1.00 83.92 19 A 1 ATOM 145 N N . ALA A 1 20 ? 12.900 5.908 -1.959 1.00 93.69 20 A 1 ATOM 146 C CA . ALA A 1 20 ? 13.957 5.011 -2.402 1.00 92.29 20 A 1 ATOM 147 C C . ALA A 1 20 ? 15.270 5.770 -2.614 1.00 89.65 20 A 1 ATOM 148 O O . ALA A 1 20 ? 15.237 6.949 -2.990 1.00 86.55 20 A 1 ATOM 149 C CB . ALA A 1 20 ? 13.550 4.298 -3.679 1.00 88.39 20 A 1 ATOM 150 O OXT . ALA A 1 20 ? 16.344 5.162 -2.437 1.00 78.68 20 A 1 #