# 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_spkb14743 # _entry.id spkb14743 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "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 PHE 3 1 n SER 4 1 n SER 5 1 n CYS 6 1 n PHE 7 1 n LEU 8 1 n LEU 9 1 n VAL 10 1 n LEU 11 1 n LEU 12 1 n GLN 13 1 n ILE 14 1 n PHE 15 1 n SER 16 1 n ALA 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n CYS 21 1 n LEU 22 1 n ALA 23 # _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 21:06:32)" _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 93.65 _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 79.86 1 1 A ALA 2 2 87.62 1 2 A PHE 3 2 88.42 1 3 A SER 4 2 90.87 1 4 A SER 5 2 93.64 1 5 A CYS 6 2 96.15 1 6 A PHE 7 2 95.19 1 7 A LEU 8 2 94.69 1 8 A LEU 9 2 95.12 1 9 A VAL 10 2 96.74 1 10 A LEU 11 2 95.01 1 11 A LEU 12 2 95.05 1 12 A GLN 13 2 92.66 1 13 A ILE 14 2 97.21 1 14 A PHE 15 2 93.97 1 15 A SER 16 2 96.20 1 16 A ALA 17 2 98.28 1 17 A LEU 18 2 95.99 1 18 A LEU 19 2 95.91 1 19 A LEU 20 2 95.94 1 20 A CYS 21 2 96.75 1 21 A LEU 22 2 94.94 1 22 A ALA 23 2 89.34 1 23 # _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 PHE . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n GLN . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? 16.685 -6.411 -0.615 1.00 84.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? 15.743 -6.058 0.465 1.00 87.85 1 A 1 ATOM 3 C C . MET A 1 1 ? 14.379 -5.725 -0.143 1.00 89.47 1 A 1 ATOM 4 O O . MET A 1 1 ? 14.158 -4.598 -0.567 1.00 86.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? 16.278 -4.860 1.257 1.00 82.75 1 A 1 ATOM 6 C CG . MET A 1 1 ? 17.443 -5.249 2.155 1.00 76.57 1 A 1 ATOM 7 S SD . MET A 1 1 ? 18.221 -3.817 2.918 1.00 69.88 1 A 1 ATOM 8 C CE . MET A 1 1 ? 19.246 -4.626 4.145 1.00 61.40 1 A 1 ATOM 9 N N . ALA A 1 2 ? 13.490 -6.716 -0.217 1.00 84.28 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 12.181 -6.559 -0.860 1.00 89.25 2 A 1 ATOM 11 C C . ALA A 1 2 ? 11.073 -6.140 0.121 1.00 91.18 2 A 1 ATOM 12 O O . ALA A 1 2 ? 9.941 -5.907 -0.295 1.00 88.89 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 11.828 -7.868 -1.566 1.00 84.48 2 A 1 ATOM 14 N N . PHE A 1 3 ? 11.392 -6.030 1.421 1.00 94.22 3 A 1 ATOM 15 C CA . PHE A 1 3 ? 10.412 -5.681 2.455 1.00 94.38 3 A 1 ATOM 16 C C . PHE A 1 3 ? 9.766 -4.320 2.204 1.00 95.32 3 A 1 ATOM 17 O O . PHE A 1 3 ? 8.558 -4.161 2.397 1.00 94.75 3 A 1 ATOM 18 C CB . PHE A 1 3 ? 11.088 -5.699 3.829 1.00 92.43 3 A 1 ATOM 19 C CG . PHE A 1 3 ? 10.882 -7.003 4.557 1.00 87.40 3 A 1 ATOM 20 C CD1 . PHE A 1 3 ? 9.733 -7.196 5.319 1.00 84.97 3 A 1 ATOM 21 C CD2 . PHE A 1 3 ? 11.829 -8.018 4.473 1.00 82.78 3 A 1 ATOM 22 C CE1 . PHE A 1 3 ? 9.523 -8.395 5.996 1.00 81.71 3 A 1 ATOM 23 C CE2 . PHE A 1 3 ? 11.627 -9.224 5.144 1.00 83.07 3 A 1 ATOM 24 C CZ . PHE A 1 3 ? 10.475 -9.410 5.909 1.00 81.54 3 A 1 ATOM 25 N N . SER A 1 4 ? 10.544 -3.351 1.736 1.00 92.74 4 A 1 ATOM 26 C CA . SER A 1 4 ? 10.035 -2.014 1.432 1.00 94.21 4 A 1 ATOM 27 C C . SER A 1 4 ? 9.009 -2.043 0.298 1.00 94.82 4 A 1 ATOM 28 O O . SER A 1 4 ? 7.978 -1.375 0.363 1.00 93.17 4 A 1 ATOM 29 C CB . SER A 1 4 ? 11.198 -1.089 1.078 1.00 91.66 4 A 1 ATOM 30 O OG . SER A 1 4 ? 10.740 0.240 0.991 1.00 78.64 4 A 1 ATOM 31 N N . SER A 1 5 ? 9.258 -2.846 -0.735 1.00 94.81 5 A 1 ATOM 32 C CA . SER A 1 5 ? 8.344 -2.992 -1.870 1.00 96.03 5 A 1 ATOM 33 C C . SER A 1 5 ? 7.028 -3.642 -1.443 1.00 96.71 5 A 1 ATOM 34 O O . SER A 1 5 ? 5.954 -3.186 -1.837 1.00 95.58 5 A 1 ATOM 35 C CB . SER A 1 5 ? 9.003 -3.816 -2.978 1.00 94.25 5 A 1 ATOM 36 O OG . SER A 1 5 ? 10.270 -3.283 -3.310 1.00 84.45 5 A 1 ATOM 37 N N . CYS A 1 6 ? 7.096 -4.693 -0.608 1.00 96.41 6 A 1 ATOM 38 C CA . CYS A 1 6 ? 5.902 -5.353 -0.085 1.00 97.19 6 A 1 ATOM 39 C C . CYS A 1 6 ? 5.080 -4.401 0.788 1.00 97.74 6 A 1 ATOM 40 O O . CYS A 1 6 ? 3.858 -4.359 0.678 1.00 97.18 6 A 1 ATOM 41 C CB . CYS A 1 6 ? 6.308 -6.597 0.711 1.00 96.09 6 A 1 ATOM 42 S SG . CYS A 1 6 ? 7.063 -7.854 -0.347 1.00 92.29 6 A 1 ATOM 43 N N . PHE A 1 7 ? 5.756 -3.615 1.631 1.00 96.24 7 A 1 ATOM 44 C CA . PHE A 1 7 ? 5.095 -2.637 2.489 1.00 96.75 7 A 1 ATOM 45 C C . PHE A 1 7 ? 4.354 -1.579 1.670 1.00 97.34 7 A 1 ATOM 46 O O . PHE A 1 7 ? 3.211 -1.242 1.982 1.00 97.26 7 A 1 ATOM 47 C CB . PHE A 1 7 ? 6.132 -1.990 3.406 1.00 96.50 7 A 1 ATOM 48 C CG . PHE A 1 7 ? 5.526 -0.978 4.343 1.00 95.66 7 A 1 ATOM 49 C CD1 . PHE A 1 7 ? 4.827 -1.399 5.477 1.00 93.68 7 A 1 ATOM 50 C CD2 . PHE A 1 7 ? 5.639 0.383 4.074 1.00 93.89 7 A 1 ATOM 51 C CE1 . PHE A 1 7 ? 4.246 -0.470 6.336 1.00 93.07 7 A 1 ATOM 52 C CE2 . PHE A 1 7 ? 5.054 1.323 4.931 1.00 93.07 7 A 1 ATOM 53 C CZ . PHE A 1 7 ? 4.357 0.894 6.062 1.00 93.64 7 A 1 ATOM 54 N N . LEU A 1 8 ? 4.968 -1.085 0.601 1.00 97.13 8 A 1 ATOM 55 C CA . LEU A 1 8 ? 4.340 -0.100 -0.282 1.00 97.19 8 A 1 ATOM 56 C C . LEU A 1 8 ? 3.097 -0.668 -0.972 1.00 97.69 8 A 1 ATOM 57 O O . LEU A 1 8 ? 2.089 0.025 -1.098 1.00 97.60 8 A 1 ATOM 58 C CB . LEU A 1 8 ? 5.359 0.381 -1.326 1.00 96.94 8 A 1 ATOM 59 C CG . LEU A 1 8 ? 6.442 1.302 -0.766 1.00 91.12 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? 7.533 1.519 -1.803 1.00 89.62 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? 5.870 2.654 -0.357 1.00 90.21 8 A 1 ATOM 62 N N . LEU A 1 9 ? 3.147 -1.929 -1.385 1.00 97.54 9 A 1 ATOM 63 C CA . LEU A 1 9 ? 1.998 -2.592 -2.004 1.00 97.40 9 A 1 ATOM 64 C C . LEU A 1 9 ? 0.840 -2.739 -1.013 1.00 97.75 9 A 1 ATOM 65 O O . LEU A 1 9 ? -0.314 -2.491 -1.364 1.00 97.62 9 A 1 ATOM 66 C CB . LEU A 1 9 ? 2.423 -3.962 -2.548 1.00 97.17 9 A 1 ATOM 67 C CG . LEU A 1 9 ? 3.338 -3.900 -3.775 1.00 91.87 9 A 1 ATOM 68 C CD1 . LEU A 1 9 ? 3.843 -5.293 -4.119 1.00 90.36 9 A 1 ATOM 69 C CD2 . LEU A 1 9 ? 2.613 -3.318 -4.989 1.00 91.21 9 A 1 ATOM 70 N N . VAL A 1 10 ? 1.140 -3.107 0.223 1.00 97.64 10 A 1 ATOM 71 C CA . VAL A 1 10 ? 0.128 -3.208 1.282 1.00 97.62 10 A 1 ATOM 72 C C . VAL A 1 10 ? -0.473 -1.832 1.579 1.00 97.93 10 A 1 ATOM 73 O O . VAL A 1 10 ? -1.690 -1.700 1.719 1.00 97.62 10 A 1 ATOM 74 C CB . VAL A 1 10 ? 0.733 -3.841 2.550 1.00 97.18 10 A 1 ATOM 75 C CG1 . VAL A 1 10 ? -0.229 -3.778 3.733 1.00 94.59 10 A 1 ATOM 76 C CG2 . VAL A 1 10 ? 1.091 -5.302 2.292 1.00 94.59 10 A 1 ATOM 77 N N . LEU A 1 11 ? 0.353 -0.808 1.634 1.00 97.57 11 A 1 ATOM 78 C CA . LEU A 1 11 ? -0.101 0.562 1.857 1.00 97.39 11 A 1 ATOM 79 C C . LEU A 1 11 ? -1.034 1.029 0.737 1.00 97.57 11 A 1 ATOM 80 O O . LEU A 1 11 ? -2.038 1.692 0.995 1.00 97.40 11 A 1 ATOM 81 C CB . LEU A 1 11 ? 1.125 1.481 1.968 1.00 97.05 11 A 1 ATOM 82 C CG . LEU A 1 11 ? 0.827 2.817 2.647 1.00 91.91 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? 0.616 2.624 4.151 1.00 90.14 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? 1.979 3.785 2.426 1.00 91.08 11 A 1 ATOM 85 N N . LEU A 1 12 ? -0.730 0.651 -0.494 1.00 97.99 12 A 1 ATOM 86 C CA . LEU A 1 12 ? -1.567 0.965 -1.653 1.00 97.92 12 A 1 ATOM 87 C C . LEU A 1 12 ? -2.931 0.277 -1.553 1.00 98.10 12 A 1 ATOM 88 O O . LEU A 1 12 ? -3.956 0.871 -1.896 1.00 97.88 12 A 1 ATOM 89 C CB . LEU A 1 12 ? -0.815 0.562 -2.929 1.00 97.60 12 A 1 ATOM 90 C CG . LEU A 1 12 ? -1.427 1.152 -4.204 1.00 92.13 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? -0.373 1.898 -5.015 1.00 88.92 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? -2.040 0.055 -5.069 1.00 89.89 12 A 1 ATOM 93 N N . GLN A 1 13 ? -2.962 -0.959 -1.064 1.00 97.78 13 A 1 ATOM 94 C CA . GLN A 1 13 ? -4.217 -1.679 -0.843 1.00 97.87 13 A 1 ATOM 95 C C . GLN A 1 13 ? -5.066 -0.997 0.233 1.00 98.18 13 A 1 ATOM 96 O O . GLN A 1 13 ? -6.276 -0.836 0.058 1.00 97.45 13 A 1 ATOM 97 C CB . GLN A 1 13 ? -3.930 -3.128 -0.444 1.00 97.39 13 A 1 ATOM 98 C CG . GLN A 1 13 ? -3.447 -3.965 -1.629 1.00 93.00 13 A 1 ATOM 99 C CD . GLN A 1 13 ? -3.187 -5.411 -1.237 1.00 88.62 13 A 1 ATOM 100 O OE1 . GLN A 1 13 ? -3.092 -5.760 -0.067 1.00 83.45 13 A 1 ATOM 101 N NE2 . GLN A 1 13 ? -3.072 -6.298 -2.206 1.00 80.21 13 A 1 ATOM 102 N N . ILE A 1 14 ? -4.437 -0.565 1.317 1.00 98.14 14 A 1 ATOM 103 C CA . ILE A 1 14 ? -5.120 0.156 2.394 1.00 98.02 14 A 1 ATOM 104 C C . ILE A 1 14 ? -5.697 1.470 1.863 1.00 98.04 14 A 1 ATOM 105 O O . ILE A 1 14 ? -6.856 1.800 2.137 1.00 97.56 14 A 1 ATOM 106 C CB . ILE A 1 14 ? -4.161 0.400 3.578 1.00 97.82 14 A 1 ATOM 107 C CG1 . ILE A 1 14 ? -3.772 -0.932 4.248 1.00 96.86 14 A 1 ATOM 108 C CG2 . ILE A 1 14 ? -4.813 1.323 4.620 1.00 96.41 14 A 1 ATOM 109 C CD1 . ILE A 1 14 ? -2.562 -0.813 5.166 1.00 94.81 14 A 1 ATOM 110 N N . PHE A 1 15 ? -4.920 2.193 1.068 1.00 97.69 15 A 1 ATOM 111 C CA . PHE A 1 15 ? -5.379 3.428 0.441 1.00 97.35 15 A 1 ATOM 112 C C . PHE A 1 15 ? -6.596 3.184 -0.453 1.00 97.69 15 A 1 ATOM 113 O O . PHE A 1 15 ? -7.575 3.927 -0.385 1.00 97.46 15 A 1 ATOM 114 C CB . PHE A 1 15 ? -4.225 4.050 -0.358 1.00 96.95 15 A 1 ATOM 115 C CG . PHE A 1 15 ? -4.675 5.192 -1.234 1.00 94.08 15 A 1 ATOM 116 C CD1 . PHE A 1 15 ? -5.037 6.417 -0.669 1.00 90.82 15 A 1 ATOM 117 C CD2 . PHE A 1 15 ? -4.768 5.021 -2.616 1.00 91.56 15 A 1 ATOM 118 C CE1 . PHE A 1 15 ? -5.489 7.465 -1.473 1.00 90.04 15 A 1 ATOM 119 C CE2 . PHE A 1 15 ? -5.223 6.068 -3.427 1.00 90.09 15 A 1 ATOM 120 C CZ . PHE A 1 15 ? -5.585 7.286 -2.855 1.00 89.91 15 A 1 ATOM 121 N N . SER A 1 16 ? -6.561 2.129 -1.257 1.00 97.97 16 A 1 ATOM 122 C CA . SER A 1 16 ? -7.679 1.771 -2.127 1.00 97.95 16 A 1 ATOM 123 C C . SER A 1 16 ? -8.932 1.432 -1.317 1.00 98.21 16 A 1 ATOM 124 O O . SER A 1 16 ? -10.034 1.855 -1.668 1.00 97.62 16 A 1 ATOM 125 C CB . SER A 1 16 ? -7.278 0.593 -3.015 1.00 97.10 16 A 1 ATOM 126 O OG . SER A 1 16 ? -8.278 0.347 -3.976 1.00 88.33 16 A 1 ATOM 127 N N . ALA A 1 17 ? -8.766 0.711 -0.213 1.00 98.39 17 A 1 ATOM 128 C CA . ALA A 1 17 ? -9.878 0.371 0.673 1.00 98.39 17 A 1 ATOM 129 C C . ALA A 1 17 ? -10.470 1.617 1.344 1.00 98.51 17 A 1 ATOM 130 O O . ALA A 1 17 ? -11.690 1.752 1.431 1.00 98.02 17 A 1 ATOM 131 C CB . ALA A 1 17 ? -9.396 -0.640 1.715 1.00 98.08 17 A 1 ATOM 132 N N . LEU A 1 18 ? -9.619 2.537 1.785 1.00 98.25 18 A 1 ATOM 133 C CA . LEU A 1 18 ? -10.059 3.797 2.390 1.00 98.09 18 A 1 ATOM 134 C C . LEU A 1 18 ? -10.800 4.668 1.379 1.00 98.22 18 A 1 ATOM 135 O O . LEU A 1 18 ? -11.831 5.256 1.710 1.00 97.71 18 A 1 ATOM 136 C CB . LEU A 1 18 ? -8.849 4.552 2.950 1.00 97.74 18 A 1 ATOM 137 C CG . LEU A 1 18 ? -8.263 3.954 4.229 1.00 94.17 18 A 1 ATOM 138 C CD1 . LEU A 1 18 ? -6.922 4.611 4.539 1.00 91.47 18 A 1 ATOM 139 C CD2 . LEU A 1 18 ? -9.202 4.149 5.415 1.00 92.29 18 A 1 ATOM 140 N N . LEU A 1 19 ? -10.307 4.723 0.152 1.00 98.18 19 A 1 ATOM 141 C CA . LEU A 1 19 ? -10.947 5.473 -0.922 1.00 98.10 19 A 1 ATOM 142 C C . LEU A 1 19 ? -12.323 4.898 -1.243 1.00 98.17 19 A 1 ATOM 143 O O . LEU A 1 19 ? -13.281 5.645 -1.436 1.00 97.84 19 A 1 ATOM 144 C CB . LEU A 1 19 ? -10.025 5.467 -2.147 1.00 97.78 19 A 1 ATOM 145 C CG . LEU A 1 19 ? -10.393 6.538 -3.171 1.00 94.40 19 A 1 ATOM 146 C CD1 . LEU A 1 19 ? -9.188 7.410 -3.494 1.00 91.49 19 A 1 ATOM 147 C CD2 . LEU A 1 19 ? -10.922 5.903 -4.450 1.00 91.30 19 A 1 ATOM 148 N N . LEU A 1 20 ? -12.446 3.575 -1.267 1.00 98.20 20 A 1 ATOM 149 C CA . LEU A 1 20 ? -13.721 2.902 -1.487 1.00 98.03 20 A 1 ATOM 150 C C . LEU A 1 20 ? -14.693 3.159 -0.335 1.00 98.16 20 A 1 ATOM 151 O O . LEU A 1 20 ? -15.889 3.330 -0.557 1.00 97.67 20 A 1 ATOM 152 C CB . LEU A 1 20 ? -13.476 1.398 -1.657 1.00 97.66 20 A 1 ATOM 153 C CG . LEU A 1 20 ? -14.635 0.687 -2.354 1.00 95.06 20 A 1 ATOM 154 C CD1 . LEU A 1 20 ? -14.444 0.713 -3.873 1.00 91.55 20 A 1 ATOM 155 C CD2 . LEU A 1 20 ? -14.737 -0.756 -1.884 1.00 91.20 20 A 1 ATOM 156 N N . CYS A 1 21 ? -14.189 3.205 0.894 1.00 97.80 21 A 1 ATOM 157 C CA . CYS A 1 21 ? -15.003 3.482 2.080 1.00 97.88 21 A 1 ATOM 158 C C . CYS A 1 21 ? -15.514 4.927 2.086 1.00 97.99 21 A 1 ATOM 159 O O . CYS A 1 21 ? -16.604 5.198 2.590 1.00 96.99 21 A 1 ATOM 160 C CB . CYS A 1 21 ? -14.174 3.184 3.338 1.00 97.08 21 A 1 ATOM 161 S SG . CYS A 1 21 ? -15.194 3.228 4.823 1.00 92.76 21 A 1 ATOM 162 N N . LEU A 1 22 ? -14.735 5.841 1.529 1.00 97.31 22 A 1 ATOM 163 C CA . LEU A 1 22 ? -15.096 7.253 1.465 1.00 97.16 22 A 1 ATOM 164 C C . LEU A 1 22 ? -16.005 7.560 0.272 1.00 97.27 22 A 1 ATOM 165 O O . LEU A 1 22 ? -16.792 8.509 0.331 1.00 96.27 22 A 1 ATOM 166 C CB . LEU A 1 22 ? -13.806 8.087 1.410 1.00 96.50 22 A 1 ATOM 167 C CG . LEU A 1 22 ? -14.014 9.597 1.538 1.00 94.68 22 A 1 ATOM 168 C CD1 . LEU A 1 22 ? -14.525 9.972 2.927 1.00 90.77 22 A 1 ATOM 169 C CD2 . LEU A 1 22 ? -12.708 10.327 1.269 1.00 89.56 22 A 1 ATOM 170 N N . ALA A 1 23 ? -15.895 6.772 -0.784 1.00 95.31 23 A 1 ATOM 171 C CA . ALA A 1 23 ? -16.669 6.950 -2.013 1.00 93.38 23 A 1 ATOM 172 C C . ALA A 1 23 ? -18.125 6.509 -1.829 1.00 90.58 23 A 1 ATOM 173 O O . ALA A 1 23 ? -19.026 7.201 -2.339 1.00 87.07 23 A 1 ATOM 174 C CB . ALA A 1 23 ? -15.998 6.179 -3.152 1.00 89.76 23 A 1 ATOM 175 O OXT . ALA A 1 23 ? -18.356 5.474 -1.196 1.00 79.93 23 A 1 #