# 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_spkb22692 # _entry.id spkb22692 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "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 ARG 2 1 n CYS 3 1 n LEU 4 1 n PRO 5 1 n VAL 6 1 n PHE 7 1 n VAL 8 1 n ILE 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n ILE 14 1 n ALA 15 1 n SER 16 1 n ALA 17 1 n PRO 18 1 n SER 19 1 n VAL 20 1 n ASP 21 1 n ALA 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 05:34:18)" _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 91.13 _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 85.91 1 1 A ARG 2 2 80.59 1 2 A CYS 3 2 91.59 1 3 A LEU 4 2 89.48 1 4 A PRO 5 2 96.25 1 5 A VAL 6 2 96.82 1 6 A PHE 7 2 95.30 1 7 A VAL 8 2 97.06 1 8 A ILE 9 2 95.92 1 9 A LEU 10 2 94.28 1 10 A LEU 11 2 93.76 1 11 A LEU 12 2 93.81 1 12 A LEU 13 2 93.17 1 13 A ILE 14 2 94.14 1 14 A ALA 15 2 96.17 1 15 A SER 16 2 92.69 1 16 A ALA 17 2 93.44 1 17 A PRO 18 2 91.29 1 18 A SER 19 2 84.64 1 19 A VAL 20 2 86.89 1 20 A ASP 21 2 81.77 1 21 A ALA 22 2 83.60 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 ARG . 2 A 2 A 3 1 n CYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 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 ILE . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ASP . 21 A 21 A 22 1 n ALA . 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 ? -4.511 6.270 -15.760 1.00 93.26 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.353 5.093 -14.901 1.00 93.75 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.940 5.035 -14.316 1.00 93.99 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.071 4.351 -14.853 1.00 89.25 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.659 3.815 -15.685 1.00 90.83 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.042 3.778 -17.075 1.00 83.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.718 2.443 -18.060 1.00 76.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.900 2.727 -19.616 1.00 65.64 1 A 1 ATOM 9 N N . ARG A 1 2 ? -2.739 5.774 -13.248 1.00 93.71 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -1.438 5.827 -12.582 1.00 93.87 2 A 1 ATOM 11 C C . ARG A 1 2 ? -1.541 5.429 -11.112 1.00 93.82 2 A 1 ATOM 12 O O . ARG A 1 2 ? -0.610 4.866 -10.548 1.00 90.12 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -0.849 7.234 -12.710 1.00 90.61 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -0.139 7.477 -14.021 1.00 79.48 2 A 1 ATOM 15 C CD . ARG A 1 2 ? 0.163 8.953 -14.201 1.00 77.82 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -0.970 9.663 -14.790 1.00 71.41 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -1.204 9.733 -16.097 1.00 68.66 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -0.401 9.131 -16.963 1.00 63.64 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -2.246 10.406 -16.542 1.00 63.38 2 A 1 ATOM 20 N N . CYS A 1 3 ? -2.682 5.713 -10.523 1.00 94.21 3 A 1 ATOM 21 C CA . CYS A 1 3 ? -2.904 5.397 -9.117 1.00 95.09 3 A 1 ATOM 22 C C . CYS A 1 3 ? -3.215 3.918 -8.906 1.00 96.13 3 A 1 ATOM 23 O O . CYS A 1 3 ? -3.103 3.410 -7.791 1.00 94.01 3 A 1 ATOM 24 C CB . CYS A 1 3 ? -4.045 6.252 -8.561 1.00 90.80 3 A 1 ATOM 25 S SG . CYS A 1 3 ? -3.727 8.029 -8.678 1.00 79.32 3 A 1 ATOM 26 N N . LEU A 1 4 ? -3.606 3.252 -9.975 1.00 94.59 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -3.931 1.828 -9.907 1.00 95.16 4 A 1 ATOM 28 C C . LEU A 1 4 ? -2.735 0.990 -9.438 1.00 96.58 4 A 1 ATOM 29 O O . LEU A 1 4 ? -2.840 0.263 -8.448 1.00 95.53 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -4.439 1.330 -11.267 1.00 93.42 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -5.548 0.285 -11.181 1.00 82.53 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -6.912 0.930 -11.413 1.00 80.04 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -5.313 -0.819 -12.198 1.00 78.01 4 A 1 ATOM 34 N N . PRO A 1 5 ? -1.601 1.084 -10.143 1.00 96.92 5 A 1 ATOM 35 C CA . PRO A 1 5 ? -0.422 0.303 -9.741 1.00 97.20 5 A 1 ATOM 36 C C . PRO A 1 5 ? 0.107 0.725 -8.376 1.00 97.71 5 A 1 ATOM 37 O O . PRO A 1 5 ? 0.580 -0.105 -7.601 1.00 96.96 5 A 1 ATOM 38 C CB . PRO A 1 5 ? 0.601 0.592 -10.846 1.00 95.86 5 A 1 ATOM 39 C CG . PRO A 1 5 ? 0.168 1.887 -11.443 1.00 93.36 5 A 1 ATOM 40 C CD . PRO A 1 5 ? -1.328 1.906 -11.332 1.00 95.76 5 A 1 ATOM 41 N N . VAL A 1 6 ? 0.017 2.000 -8.087 1.00 97.87 6 A 1 ATOM 42 C CA . VAL A 1 6 ? 0.465 2.531 -6.798 1.00 97.94 6 A 1 ATOM 43 C C . VAL A 1 6 ? -0.367 1.941 -5.663 1.00 98.14 6 A 1 ATOM 44 O O . VAL A 1 6 ? 0.158 1.598 -4.601 1.00 97.52 6 A 1 ATOM 45 C CB . VAL A 1 6 ? 0.370 4.066 -6.769 1.00 97.36 6 A 1 ATOM 46 C CG1 . VAL A 1 6 ? 0.816 4.614 -5.422 1.00 94.63 6 A 1 ATOM 47 C CG2 . VAL A 1 6 ? 1.197 4.677 -7.884 1.00 94.28 6 A 1 ATOM 48 N N . PHE A 1 7 ? -1.653 1.819 -5.904 1.00 97.18 7 A 1 ATOM 49 C CA . PHE A 1 7 ? -2.570 1.263 -4.913 1.00 97.34 7 A 1 ATOM 50 C C . PHE A 1 7 ? -2.234 -0.197 -4.626 1.00 97.59 7 A 1 ATOM 51 O O . PHE A 1 7 ? -2.255 -0.631 -3.474 1.00 97.29 7 A 1 ATOM 52 C CB . PHE A 1 7 ? -4.011 1.385 -5.416 1.00 97.15 7 A 1 ATOM 53 C CG . PHE A 1 7 ? -5.035 1.182 -4.330 1.00 95.93 7 A 1 ATOM 54 C CD1 . PHE A 1 7 ? -5.589 -0.070 -4.107 1.00 93.31 7 A 1 ATOM 55 C CD2 . PHE A 1 7 ? -5.429 2.249 -3.538 1.00 93.67 7 A 1 ATOM 56 C CE1 . PHE A 1 7 ? -6.526 -0.259 -3.105 1.00 92.85 7 A 1 ATOM 57 C CE2 . PHE A 1 7 ? -6.367 2.062 -2.532 1.00 92.81 7 A 1 ATOM 58 C CZ . PHE A 1 7 ? -6.914 0.810 -2.312 1.00 93.21 7 A 1 ATOM 59 N N . VAL A 1 8 ? -1.915 -0.933 -5.670 1.00 97.62 8 A 1 ATOM 60 C CA . VAL A 1 8 ? -1.555 -2.343 -5.533 1.00 97.71 8 A 1 ATOM 61 C C . VAL A 1 8 ? -0.286 -2.490 -4.694 1.00 97.85 8 A 1 ATOM 62 O O . VAL A 1 8 ? -0.201 -3.357 -3.820 1.00 97.63 8 A 1 ATOM 63 C CB . VAL A 1 8 ? -1.358 -2.997 -6.911 1.00 97.48 8 A 1 ATOM 64 C CG1 . VAL A 1 8 ? -0.923 -4.449 -6.773 1.00 95.63 8 A 1 ATOM 65 C CG2 . VAL A 1 8 ? -2.637 -2.914 -7.733 1.00 95.52 8 A 1 ATOM 66 N N . ILE A 1 9 ? 0.685 -1.641 -4.965 1.00 97.29 9 A 1 ATOM 67 C CA . ILE A 1 9 ? 1.947 -1.661 -4.233 1.00 97.15 9 A 1 ATOM 68 C C . ILE A 1 9 ? 1.707 -1.331 -2.760 1.00 97.27 9 A 1 ATOM 69 O O . ILE A 1 9 ? 2.293 -1.949 -1.867 1.00 97.02 9 A 1 ATOM 70 C CB . ILE A 1 9 ? 2.951 -0.663 -4.844 1.00 97.16 9 A 1 ATOM 71 C CG1 . ILE A 1 9 ? 3.320 -1.075 -6.271 1.00 95.58 9 A 1 ATOM 72 C CG2 . ILE A 1 9 ? 4.209 -0.573 -3.979 1.00 95.45 9 A 1 ATOM 73 C CD1 . ILE A 1 9 ? 3.869 0.068 -7.102 1.00 90.44 9 A 1 ATOM 74 N N . LEU A 1 10 ? 0.862 -0.361 -2.525 1.00 96.59 10 A 1 ATOM 75 C CA . LEU A 1 10 ? 0.535 0.056 -1.164 1.00 96.25 10 A 1 ATOM 76 C C . LEU A 1 10 ? -0.130 -1.079 -0.396 1.00 96.54 10 A 1 ATOM 77 O O . LEU A 1 10 ? 0.187 -1.326 0.770 1.00 96.54 10 A 1 ATOM 78 C CB . LEU A 1 10 ? -0.391 1.277 -1.206 1.00 96.13 10 A 1 ATOM 79 C CG . LEU A 1 10 ? -0.207 2.250 -0.049 1.00 91.86 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? -0.122 3.681 -0.569 1.00 90.10 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? -1.347 2.126 0.941 1.00 90.22 10 A 1 ATOM 82 N N . LEU A 1 11 ? -1.033 -1.765 -1.059 1.00 96.50 11 A 1 ATOM 83 C CA . LEU A 1 11 ? -1.744 -2.888 -0.457 1.00 96.29 11 A 1 ATOM 84 C C . LEU A 1 11 ? -0.773 -4.007 -0.104 1.00 96.63 11 A 1 ATOM 85 O O . LEU A 1 11 ? -0.860 -4.612 0.969 1.00 96.41 11 A 1 ATOM 86 C CB . LEU A 1 11 ? -2.818 -3.393 -1.429 1.00 95.98 11 A 1 ATOM 87 C CG . LEU A 1 11 ? -4.192 -3.599 -0.797 1.00 89.98 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? -5.294 -3.248 -1.787 1.00 89.07 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? -4.349 -5.028 -0.321 1.00 89.25 11 A 1 ATOM 90 N N . LEU A 1 12 ? 0.151 -4.267 -1.005 1.00 96.77 12 A 1 ATOM 91 C CA . LEU A 1 12 ? 1.162 -5.294 -0.792 1.00 96.58 12 A 1 ATOM 92 C C . LEU A 1 12 ? 2.062 -4.931 0.383 1.00 96.80 12 A 1 ATOM 93 O O . LEU A 1 12 ? 2.449 -5.798 1.170 1.00 96.24 12 A 1 ATOM 94 C CB . LEU A 1 12 ? 2.001 -5.463 -2.062 1.00 96.43 12 A 1 ATOM 95 C CG . LEU A 1 12 ? 1.452 -6.499 -3.043 1.00 89.46 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? 1.945 -6.229 -4.457 1.00 88.77 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? 1.871 -7.896 -2.596 1.00 89.47 12 A 1 ATOM 98 N N . LEU A 1 13 ? 2.388 -3.660 0.495 1.00 96.62 13 A 1 ATOM 99 C CA . LEU A 1 13 ? 3.229 -3.166 1.577 1.00 96.08 13 A 1 ATOM 100 C C . LEU A 1 13 ? 2.565 -3.400 2.929 1.00 96.18 13 A 1 ATOM 101 O O . LEU A 1 13 ? 3.197 -3.883 3.866 1.00 95.02 13 A 1 ATOM 102 C CB . LEU A 1 13 ? 3.504 -1.673 1.390 1.00 95.58 13 A 1 ATOM 103 C CG . LEU A 1 13 ? 4.635 -1.128 2.257 1.00 89.96 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? 5.952 -1.195 1.493 1.00 88.12 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? 4.350 0.295 2.684 1.00 87.81 13 A 1 ATOM 106 N N . ILE A 1 14 ? 1.297 -3.070 3.017 1.00 96.07 14 A 1 ATOM 107 C CA . ILE A 1 14 ? 0.539 -3.231 4.252 1.00 95.56 14 A 1 ATOM 108 C C . ILE A 1 14 ? 0.396 -4.705 4.612 1.00 95.71 14 A 1 ATOM 109 O O . ILE A 1 14 ? 0.523 -5.086 5.780 1.00 94.54 14 A 1 ATOM 110 C CB . ILE A 1 14 ? -0.854 -2.584 4.127 1.00 95.02 14 A 1 ATOM 111 C CG1 . ILE A 1 14 ? -0.736 -1.074 3.903 1.00 93.21 14 A 1 ATOM 112 C CG2 . ILE A 1 14 ? -1.683 -2.861 5.384 1.00 92.97 14 A 1 ATOM 113 C CD1 . ILE A 1 14 ? -1.976 -0.460 3.280 1.00 90.03 14 A 1 ATOM 114 N N . ALA A 1 15 ? 0.137 -5.519 3.607 1.00 96.93 15 A 1 ATOM 115 C CA . ALA A 1 15 ? -0.032 -6.952 3.816 1.00 96.46 15 A 1 ATOM 116 C C . ALA A 1 15 ? 1.280 -7.622 4.215 1.00 96.71 15 A 1 ATOM 117 O O . ALA A 1 15 ? 1.294 -8.523 5.053 1.00 95.22 15 A 1 ATOM 118 C CB . ALA A 1 15 ? -0.586 -7.600 2.550 1.00 95.52 15 A 1 ATOM 119 N N . SER A 1 16 ? 2.376 -7.180 3.614 1.00 96.19 16 A 1 ATOM 120 C CA . SER A 1 16 ? 3.686 -7.758 3.888 1.00 96.00 16 A 1 ATOM 121 C C . SER A 1 16 ? 4.238 -7.283 5.225 1.00 95.83 16 A 1 ATOM 122 O O . SER A 1 16 ? 4.834 -8.059 5.971 1.00 92.98 16 A 1 ATOM 123 C CB . SER A 1 16 ? 4.668 -7.406 2.771 1.00 94.25 16 A 1 ATOM 124 O OG . SER A 1 16 ? 4.900 -6.014 2.719 1.00 80.92 16 A 1 ATOM 125 N N . ALA A 1 17 ? 4.042 -6.015 5.523 1.00 95.02 17 A 1 ATOM 126 C CA . ALA A 1 17 ? 4.534 -5.437 6.771 1.00 94.38 17 A 1 ATOM 127 C C . ALA A 1 17 ? 3.484 -4.545 7.421 1.00 94.12 17 A 1 ATOM 128 O O . ALA A 1 17 ? 3.540 -3.318 7.309 1.00 91.53 17 A 1 ATOM 129 C CB . ALA A 1 17 ? 5.807 -4.646 6.507 1.00 92.16 17 A 1 ATOM 130 N N . PRO A 1 18 ? 2.526 -5.151 8.105 1.00 93.74 18 A 1 ATOM 131 C CA . PRO A 1 18 ? 1.472 -4.397 8.783 1.00 93.52 18 A 1 ATOM 132 C C . PRO A 1 18 ? 2.017 -3.662 9.998 1.00 93.78 18 A 1 ATOM 133 O O . PRO A 1 18 ? 2.833 -4.199 10.745 1.00 88.44 18 A 1 ATOM 134 C CB . PRO A 1 18 ? 0.471 -5.473 9.204 1.00 90.60 18 A 1 ATOM 135 C CG . PRO A 1 18 ? 1.280 -6.713 9.322 1.00 87.74 18 A 1 ATOM 136 C CD . PRO A 1 18 ? 2.370 -6.598 8.285 1.00 91.22 18 A 1 ATOM 137 N N . SER A 1 19 ? 1.562 -2.437 10.182 1.00 88.90 19 A 1 ATOM 138 C CA . SER A 1 19 ? 2.000 -1.632 11.313 1.00 89.60 19 A 1 ATOM 139 C C . SER A 1 19 ? 1.494 -2.239 12.614 1.00 89.29 19 A 1 ATOM 140 O O . SER A 1 19 ? 0.313 -2.556 12.748 1.00 83.96 19 A 1 ATOM 141 C CB . SER A 1 19 ? 1.494 -0.200 11.176 1.00 85.22 19 A 1 ATOM 142 O OG . SER A 1 19 ? 0.091 -0.162 11.051 1.00 70.88 19 A 1 ATOM 143 N N . VAL A 1 20 ? 2.397 -2.414 13.560 1.00 91.62 20 A 1 ATOM 144 C CA . VAL A 1 20 ? 2.041 -2.990 14.853 1.00 91.40 20 A 1 ATOM 145 C C . VAL A 1 20 ? 1.220 -1.993 15.657 1.00 91.89 20 A 1 ATOM 146 O O . VAL A 1 20 ? 1.681 -0.885 15.939 1.00 88.23 20 A 1 ATOM 147 C CB . VAL A 1 20 ? 3.294 -3.387 15.649 1.00 88.71 20 A 1 ATOM 148 C CG1 . VAL A 1 20 ? 2.899 -4.037 16.972 1.00 78.20 20 A 1 ATOM 149 C CG2 . VAL A 1 20 ? 4.162 -4.324 14.836 1.00 78.18 20 A 1 ATOM 150 N N . ASP A 1 21 ? 0.024 -2.401 16.015 1.00 86.82 21 A 1 ATOM 151 C CA . ASP A 1 21 ? -0.859 -1.555 16.809 1.00 87.37 21 A 1 ATOM 152 C C . ASP A 1 21 ? -0.687 -1.874 18.285 1.00 88.53 21 A 1 ATOM 153 O O . ASP A 1 21 ? -1.217 -2.857 18.793 1.00 84.93 21 A 1 ATOM 154 C CB . ASP A 1 21 ? -2.315 -1.762 16.388 1.00 84.67 21 A 1 ATOM 155 C CG . ASP A 1 21 ? -2.635 -3.197 16.042 1.00 77.08 21 A 1 ATOM 156 O OD1 . ASP A 1 21 ? -2.674 -4.033 16.961 1.00 71.02 21 A 1 ATOM 157 O OD2 . ASP A 1 21 ? -2.848 -3.481 14.851 1.00 73.74 21 A 1 ATOM 158 N N . ALA A 1 22 ? 0.074 -1.035 18.963 1.00 89.17 22 A 1 ATOM 159 C CA . ALA A 1 22 ? 0.334 -1.222 20.381 1.00 88.90 22 A 1 ATOM 160 C C . ALA A 1 22 ? -0.305 -0.100 21.197 1.00 86.35 22 A 1 ATOM 161 O O . ALA A 1 22 ? -0.109 1.069 20.851 1.00 81.51 22 A 1 ATOM 162 C CB . ALA A 1 22 ? 1.831 -1.287 20.645 1.00 83.86 22 A 1 ATOM 163 O OXT . ALA A 1 22 ? -1.006 -0.402 22.184 1.00 71.80 22 A 1 #