# 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_spkb39542 # _entry.id spkb39542 # 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" "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" "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" # _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 LYS 3 1 n HIS 4 1 n LEU 5 1 n LEU 6 1 n PRO 7 1 n LEU 8 1 n ALA 9 1 n LEU 10 1 n LEU 11 1 n PHE 12 1 n SER 13 1 n GLY 14 1 n ILE 15 1 n SER 16 1 n PRO 17 1 n ALA 18 1 n GLN 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 @ 2025-07-08 18:19:47)" _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 80.56 _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 78.23 1 1 A LYS 2 2 78.80 1 2 A LYS 3 2 79.49 1 3 A HIS 4 2 76.70 1 4 A LEU 5 2 78.77 1 5 A LEU 6 2 78.42 1 6 A PRO 7 2 86.00 1 7 A LEU 8 2 82.45 1 8 A ALA 9 2 89.04 1 9 A LEU 10 2 85.33 1 10 A LEU 11 2 85.39 1 11 A PHE 12 2 83.46 1 12 A SER 13 2 85.11 1 13 A GLY 14 2 86.64 1 14 A ILE 15 2 78.86 1 15 A SER 16 2 80.99 1 16 A PRO 17 2 83.22 1 17 A ALA 18 2 82.47 1 18 A GLN 19 2 66.79 1 19 A ALA 20 2 74.72 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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n GLN . 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 ? -13.826 -0.921 3.639 1.00 82.57 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.006 0.248 3.256 1.00 85.40 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.028 -0.118 2.136 1.00 85.87 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.818 -0.055 2.300 1.00 81.18 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.224 0.743 4.470 1.00 80.21 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.150 1.229 5.569 1.00 75.62 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.250 1.795 7.016 1.00 71.31 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.609 2.314 8.048 1.00 63.68 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.560 -0.497 1.006 1.00 86.65 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -11.724 -0.889 -0.137 1.00 87.49 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.993 0.315 -0.729 1.00 87.03 2 A 1 ATOM 12 O O . LYS A 1 2 ? -9.908 0.180 -1.287 1.00 85.92 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -12.612 -1.532 -1.206 1.00 85.26 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -13.339 -2.763 -0.677 1.00 76.01 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -14.343 -3.279 -1.685 1.00 75.32 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -15.123 -4.450 -1.112 1.00 65.87 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -16.189 -4.900 -2.048 1.00 59.68 2 A 1 ATOM 18 N N . LYS A 1 3 ? -11.590 1.492 -0.603 1.00 87.77 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -10.982 2.717 -1.134 1.00 88.61 3 A 1 ATOM 20 C C . LYS A 1 3 ? -9.697 3.068 -0.387 1.00 89.00 3 A 1 ATOM 21 O O . LYS A 1 3 ? -8.875 3.837 -0.889 1.00 86.88 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -11.980 3.867 -1.018 1.00 86.94 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -13.257 3.616 -1.805 1.00 77.40 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -13.003 3.651 -3.295 1.00 74.73 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -14.297 3.451 -4.070 1.00 64.86 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -14.844 2.105 -3.846 1.00 59.22 3 A 1 ATOM 27 N N . HIS A 1 4 ? -9.526 2.512 0.801 1.00 84.93 4 A 1 ATOM 28 C CA . HIS A 1 4 ? -8.338 2.795 1.612 1.00 85.11 4 A 1 ATOM 29 C C . HIS A 1 4 ? -7.095 2.122 1.027 1.00 86.73 4 A 1 ATOM 30 O O . HIS A 1 4 ? -5.974 2.416 1.431 1.00 84.41 4 A 1 ATOM 31 C CB . HIS A 1 4 ? -8.551 2.314 3.053 1.00 82.77 4 A 1 ATOM 32 C CG . HIS A 1 4 ? -7.543 2.891 4.001 1.00 75.81 4 A 1 ATOM 33 N ND1 . HIS A 1 4 ? -6.401 2.234 4.379 1.00 66.05 4 A 1 ATOM 34 C CD2 . HIS A 1 4 ? -7.511 4.088 4.640 1.00 65.60 4 A 1 ATOM 35 C CE1 . HIS A 1 4 ? -5.713 3.004 5.213 1.00 66.31 4 A 1 ATOM 36 N NE2 . HIS A 1 4 ? -6.365 4.144 5.397 1.00 69.29 4 A 1 ATOM 37 N N . LEU A 1 5 ? -7.289 1.230 0.066 1.00 79.67 5 A 1 ATOM 38 C CA . LEU A 1 5 ? -6.163 0.533 -0.559 1.00 81.11 5 A 1 ATOM 39 C C . LEU A 1 5 ? -5.245 1.518 -1.279 1.00 83.36 5 A 1 ATOM 40 O O . LEU A 1 5 ? -4.024 1.360 -1.278 1.00 80.88 5 A 1 ATOM 41 C CB . LEU A 1 5 ? -6.695 -0.499 -1.557 1.00 80.48 5 A 1 ATOM 42 C CG . LEU A 1 5 ? -7.429 -1.663 -0.891 1.00 76.36 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? -8.150 -2.497 -1.934 1.00 74.87 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? -6.442 -2.536 -0.122 1.00 73.39 5 A 1 ATOM 45 N N . LEU A 1 6 ? -5.842 2.532 -1.887 1.00 81.96 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -5.070 3.548 -2.607 1.00 81.40 6 A 1 ATOM 47 C C . LEU A 1 6 ? -4.201 4.372 -1.654 1.00 82.90 6 A 1 ATOM 48 O O . LEU A 1 6 ? -2.987 4.478 -1.852 1.00 81.46 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -6.013 4.461 -3.404 1.00 80.83 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -6.218 4.005 -4.848 1.00 75.10 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -4.913 4.107 -5.613 1.00 73.01 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -6.735 2.575 -4.882 1.00 70.67 6 A 1 ATOM 53 N N . PRO A 1 7 ? -4.809 4.965 -0.611 1.00 86.45 7 A 1 ATOM 54 C CA . PRO A 1 7 ? -4.031 5.766 0.346 1.00 86.50 7 A 1 ATOM 55 C C . PRO A 1 7 ? -3.026 4.918 1.118 1.00 87.19 7 A 1 ATOM 56 O O . PRO A 1 7 ? -1.965 5.405 1.499 1.00 85.70 7 A 1 ATOM 57 C CB . PRO A 1 7 ? -5.102 6.353 1.281 1.00 83.76 7 A 1 ATOM 58 C CG . PRO A 1 7 ? -6.278 5.444 1.134 1.00 84.47 7 A 1 ATOM 59 C CD . PRO A 1 7 ? -6.234 4.971 -0.289 1.00 87.95 7 A 1 ATOM 60 N N . LEU A 1 8 ? -3.351 3.658 1.336 1.00 87.20 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -2.451 2.752 2.052 1.00 86.53 8 A 1 ATOM 62 C C . LEU A 1 8 ? -1.171 2.540 1.250 1.00 87.61 8 A 1 ATOM 63 O O . LEU A 1 8 ? -0.070 2.533 1.800 1.00 86.12 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -3.145 1.409 2.283 1.00 84.56 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -2.306 0.429 3.098 1.00 77.70 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -2.104 0.949 4.516 1.00 75.55 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -2.992 -0.935 3.139 1.00 74.36 8 A 1 ATOM 68 N N . ALA A 1 9 ? -1.317 2.359 -0.048 1.00 89.41 9 A 1 ATOM 69 C CA . ALA A 1 9 ? -0.168 2.157 -0.931 1.00 89.26 9 A 1 ATOM 70 C C . ALA A 1 9 ? 0.743 3.380 -0.921 1.00 89.87 9 A 1 ATOM 71 O O . ALA A 1 9 ? 1.962 3.258 -1.055 1.00 87.70 9 A 1 ATOM 72 C CB . ALA A 1 9 ? -0.654 1.882 -2.350 1.00 88.98 9 A 1 ATOM 73 N N . LEU A 1 10 ? 0.156 4.550 -0.758 1.00 89.28 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 0.924 5.796 -0.717 1.00 88.89 10 A 1 ATOM 75 C C . LEU A 1 10 ? 1.912 5.779 0.445 1.00 89.53 10 A 1 ATOM 76 O O . LEU A 1 10 ? 3.092 6.080 0.272 1.00 87.28 10 A 1 ATOM 77 C CB . LEU A 1 10 ? -0.030 6.982 -0.564 1.00 88.40 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 0.683 8.332 -0.578 1.00 82.16 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? 1.214 8.627 -1.976 1.00 78.44 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? -0.275 9.433 -0.151 1.00 78.62 10 A 1 ATOM 81 N N . LEU A 1 11 ? 1.424 5.426 1.630 1.00 89.90 11 A 1 ATOM 82 C CA . LEU A 1 11 ? 2.276 5.361 2.816 1.00 89.16 11 A 1 ATOM 83 C C . LEU A 1 11 ? 3.313 4.255 2.677 1.00 89.49 11 A 1 ATOM 84 O O . LEU A 1 11 ? 4.444 4.389 3.140 1.00 87.53 11 A 1 ATOM 85 C CB . LEU A 1 11 ? 1.421 5.121 4.061 1.00 88.55 11 A 1 ATOM 86 C CG . LEU A 1 11 ? 0.755 6.394 4.575 1.00 82.60 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -0.650 6.520 4.006 1.00 77.86 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? 0.691 6.380 6.096 1.00 78.05 11 A 1 ATOM 89 N N . PHE A 1 12 ? 2.934 3.173 2.036 1.00 87.79 12 A 1 ATOM 90 C CA . PHE A 1 12 ? 3.838 2.044 1.842 1.00 86.56 12 A 1 ATOM 91 C C . PHE A 1 12 ? 5.089 2.483 1.093 1.00 87.45 12 A 1 ATOM 92 O O . PHE A 1 12 ? 6.197 2.058 1.408 1.00 84.70 12 A 1 ATOM 93 C CB . PHE A 1 12 ? 3.118 0.943 1.062 1.00 86.09 12 A 1 ATOM 94 C CG . PHE A 1 12 ? 3.318 -0.412 1.690 1.00 84.14 12 A 1 ATOM 95 C CD1 . PHE A 1 12 ? 4.491 -1.113 1.492 1.00 80.67 12 A 1 ATOM 96 C CD2 . PHE A 1 12 ? 2.326 -0.968 2.486 1.00 81.22 12 A 1 ATOM 97 C CE1 . PHE A 1 12 ? 4.678 -2.359 2.078 1.00 80.48 12 A 1 ATOM 98 C CE2 . PHE A 1 12 ? 2.507 -2.215 3.074 1.00 79.43 12 A 1 ATOM 99 C CZ . PHE A 1 12 ? 3.684 -2.913 2.869 1.00 79.49 12 A 1 ATOM 100 N N . SER A 1 13 ? 4.916 3.351 0.121 1.00 89.07 13 A 1 ATOM 101 C CA . SER A 1 13 ? 6.039 3.862 -0.666 1.00 88.17 13 A 1 ATOM 102 C C . SER A 1 13 ? 6.961 4.722 0.192 1.00 87.73 13 A 1 ATOM 103 O O . SER A 1 13 ? 8.173 4.740 -0.011 1.00 83.25 13 A 1 ATOM 104 C CB . SER A 1 13 ? 5.516 4.683 -1.841 1.00 85.81 13 A 1 ATOM 105 O OG . SER A 1 13 ? 4.718 3.872 -2.679 1.00 76.65 13 A 1 ATOM 106 N N . GLY A 1 14 ? 6.377 5.443 1.150 1.00 87.30 14 A 1 ATOM 107 C CA . GLY A 1 14 ? 7.158 6.300 2.038 1.00 86.83 14 A 1 ATOM 108 C C . GLY A 1 14 ? 7.814 5.530 3.165 1.00 87.60 14 A 1 ATOM 109 O O . GLY A 1 14 ? 8.900 5.881 3.615 1.00 84.81 14 A 1 ATOM 110 N N . ILE A 1 15 ? 7.168 4.478 3.628 1.00 83.18 15 A 1 ATOM 111 C CA . ILE A 1 15 ? 7.706 3.654 4.711 1.00 82.80 15 A 1 ATOM 112 C C . ILE A 1 15 ? 9.030 3.021 4.301 1.00 82.53 15 A 1 ATOM 113 O O . ILE A 1 15 ? 10.047 3.201 4.968 1.00 77.14 15 A 1 ATOM 114 C CB . ILE A 1 15 ? 6.700 2.556 5.107 1.00 81.21 15 A 1 ATOM 115 C CG1 . ILE A 1 15 ? 5.437 3.187 5.693 1.00 77.88 15 A 1 ATOM 116 C CG2 . ILE A 1 15 ? 7.333 1.618 6.132 1.00 75.36 15 A 1 ATOM 117 C CD1 . ILE A 1 15 ? 4.293 2.199 5.814 1.00 70.81 15 A 1 ATOM 118 N N . SER A 1 16 ? 9.020 2.287 3.198 1.00 83.83 16 A 1 ATOM 119 C CA . SER A 1 16 ? 10.226 1.628 2.683 1.00 82.87 16 A 1 ATOM 120 C C . SER A 1 16 ? 11.029 0.981 3.811 1.00 83.16 16 A 1 ATOM 121 O O . SER A 1 16 ? 12.070 1.504 4.221 1.00 82.08 16 A 1 ATOM 122 C CB . SER A 1 16 ? 11.095 2.648 1.951 1.00 80.83 16 A 1 ATOM 123 O OG . SER A 1 16 ? 10.382 3.243 0.895 1.00 73.15 16 A 1 ATOM 124 N N . PRO A 1 17 ? 10.565 -0.161 4.334 1.00 84.91 17 A 1 ATOM 125 C CA . PRO A 1 17 ? 11.251 -0.859 5.429 1.00 84.92 17 A 1 ATOM 126 C C . PRO A 1 17 ? 12.620 -1.394 5.025 1.00 85.82 17 A 1 ATOM 127 O O . PRO A 1 17 ? 13.436 -1.728 5.880 1.00 81.90 17 A 1 ATOM 128 C CB . PRO A 1 17 ? 10.289 -2.003 5.775 1.00 82.21 17 A 1 ATOM 129 C CG . PRO A 1 17 ? 9.512 -2.232 4.519 1.00 79.54 17 A 1 ATOM 130 C CD . PRO A 1 17 ? 9.363 -0.869 3.888 1.00 83.27 17 A 1 ATOM 131 N N . ALA A 1 18 ? 12.884 -1.481 3.737 1.00 82.90 18 A 1 ATOM 132 C CA . ALA A 1 18 ? 14.159 -2.001 3.236 1.00 83.18 18 A 1 ATOM 133 C C . ALA A 1 18 ? 15.142 -0.882 2.895 1.00 83.83 18 A 1 ATOM 134 O O . ALA A 1 18 ? 15.894 -0.972 1.924 1.00 80.66 18 A 1 ATOM 135 C CB . ALA A 1 18 ? 13.909 -2.875 2.011 1.00 81.78 18 A 1 ATOM 136 N N . GLN A 1 19 ? 15.148 0.172 3.701 1.00 73.52 19 A 1 ATOM 137 C CA . GLN A 1 19 ? 16.052 1.305 3.471 1.00 73.38 19 A 1 ATOM 138 C C . GLN A 1 19 ? 17.260 1.250 4.397 1.00 72.98 19 A 1 ATOM 139 O O . GLN A 1 19 ? 17.206 0.644 5.457 1.00 68.43 19 A 1 ATOM 140 C CB . GLN A 1 19 ? 15.302 2.616 3.694 1.00 69.79 19 A 1 ATOM 141 C CG . GLN A 1 19 ? 14.357 2.937 2.556 1.00 65.85 19 A 1 ATOM 142 C CD . GLN A 1 19 ? 13.689 4.277 2.742 1.00 62.61 19 A 1 ATOM 143 O OE1 . GLN A 1 19 ? 13.341 4.658 3.849 1.00 58.94 19 A 1 ATOM 144 N NE2 . GLN A 1 19 ? 13.504 5.026 1.669 1.00 55.57 19 A 1 ATOM 145 N N . ALA A 1 20 ? 18.346 1.912 3.975 1.00 80.35 20 A 1 ATOM 146 C CA . ALA A 1 20 ? 19.566 1.939 4.789 1.00 79.60 20 A 1 ATOM 147 C C . ALA A 1 20 ? 20.002 0.531 5.173 1.00 77.38 20 A 1 ATOM 148 O O . ALA A 1 20 ? 19.947 0.181 6.362 1.00 71.60 20 A 1 ATOM 149 C CB . ALA A 1 20 ? 19.336 2.787 6.028 1.00 73.07 20 A 1 ATOM 150 O OXT . ALA A 1 20 ? 20.416 -0.210 4.249 1.00 66.32 20 A 1 #