# 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_spkb40261 # _entry.id spkb40261 # 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 @ 2025-07-03 20:05:12)" _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 ? -4.530 6.269 -15.765 1.00 93.26 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.371 5.092 -14.906 1.00 93.75 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.957 5.034 -14.324 1.00 93.99 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.088 4.352 -14.864 1.00 89.25 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.679 3.813 -15.689 1.00 90.83 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.067 3.776 -17.081 1.00 83.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.748 2.442 -18.064 1.00 76.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.939 2.728 -19.624 1.00 65.64 1 A 1 ATOM 9 N N . ARG A 1 2 ? -2.754 5.771 -13.255 1.00 93.71 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -1.451 5.825 -12.592 1.00 93.87 2 A 1 ATOM 11 C C . ARG A 1 2 ? -1.552 5.426 -11.121 1.00 93.82 2 A 1 ATOM 12 O O . ARG A 1 2 ? -0.619 4.865 -10.559 1.00 90.12 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -0.862 7.231 -12.721 1.00 90.61 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -0.153 7.473 -14.032 1.00 79.48 2 A 1 ATOM 15 C CD . ARG A 1 2 ? 0.152 8.948 -14.212 1.00 77.82 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -0.977 9.661 -14.805 1.00 71.41 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -1.205 9.734 -16.113 1.00 68.66 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -0.399 9.132 -16.976 1.00 63.64 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -2.244 10.409 -16.561 1.00 63.38 2 A 1 ATOM 20 N N . CYS A 1 3 ? -2.691 5.709 -10.530 1.00 94.21 3 A 1 ATOM 21 C CA . CYS A 1 3 ? -2.911 5.394 -9.123 1.00 95.09 3 A 1 ATOM 22 C C . CYS A 1 3 ? -3.221 3.914 -8.910 1.00 96.13 3 A 1 ATOM 23 O O . CYS A 1 3 ? -3.108 3.407 -7.795 1.00 94.01 3 A 1 ATOM 24 C CB . CYS A 1 3 ? -4.052 6.248 -8.565 1.00 90.80 3 A 1 ATOM 25 S SG . CYS A 1 3 ? -3.734 8.025 -8.684 1.00 79.32 3 A 1 ATOM 26 N N . LEU A 1 4 ? -3.613 3.247 -9.978 1.00 94.59 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -3.937 1.823 -9.909 1.00 95.16 4 A 1 ATOM 28 C C . LEU A 1 4 ? -2.740 0.986 -9.441 1.00 96.58 4 A 1 ATOM 29 O O . LEU A 1 4 ? -2.845 0.258 -8.450 1.00 95.53 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -4.447 1.323 -11.268 1.00 93.42 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -5.558 0.281 -11.180 1.00 82.53 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -6.921 0.929 -11.411 1.00 80.04 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -5.328 -0.824 -12.196 1.00 78.01 4 A 1 ATOM 34 N N . PRO A 1 5 ? -1.607 1.079 -10.146 1.00 96.92 5 A 1 ATOM 35 C CA . PRO A 1 5 ? -0.427 0.299 -9.745 1.00 97.20 5 A 1 ATOM 36 C C . PRO A 1 5 ? 0.103 0.722 -8.380 1.00 97.71 5 A 1 ATOM 37 O O . PRO A 1 5 ? 0.576 -0.108 -7.605 1.00 96.96 5 A 1 ATOM 38 C CB . PRO A 1 5 ? 0.596 0.588 -10.851 1.00 95.86 5 A 1 ATOM 39 C CG . PRO A 1 5 ? 0.162 1.882 -11.449 1.00 93.36 5 A 1 ATOM 40 C CD . PRO A 1 5 ? -1.335 1.901 -11.336 1.00 95.76 5 A 1 ATOM 41 N N . VAL A 1 6 ? 0.013 1.997 -8.091 1.00 97.87 6 A 1 ATOM 42 C CA . VAL A 1 6 ? 0.460 2.529 -6.802 1.00 97.94 6 A 1 ATOM 43 C C . VAL A 1 6 ? -0.370 1.939 -5.668 1.00 98.14 6 A 1 ATOM 44 O O . VAL A 1 6 ? 0.156 1.597 -4.606 1.00 97.52 6 A 1 ATOM 45 C CB . VAL A 1 6 ? 0.366 4.064 -6.775 1.00 97.36 6 A 1 ATOM 46 C CG1 . VAL A 1 6 ? 0.813 4.613 -5.429 1.00 94.63 6 A 1 ATOM 47 C CG2 . VAL A 1 6 ? 1.192 4.675 -7.891 1.00 94.28 6 A 1 ATOM 48 N N . PHE A 1 7 ? -1.657 1.817 -5.907 1.00 97.18 7 A 1 ATOM 49 C CA . PHE A 1 7 ? -2.573 1.261 -4.915 1.00 97.34 7 A 1 ATOM 50 C C . PHE A 1 7 ? -2.236 -0.200 -4.628 1.00 97.59 7 A 1 ATOM 51 O O . PHE A 1 7 ? -2.257 -0.633 -3.475 1.00 97.29 7 A 1 ATOM 52 C CB . PHE A 1 7 ? -4.014 1.383 -5.417 1.00 97.15 7 A 1 ATOM 53 C CG . PHE A 1 7 ? -5.038 1.179 -4.330 1.00 95.93 7 A 1 ATOM 54 C CD1 . PHE A 1 7 ? -5.591 -0.074 -4.108 1.00 93.31 7 A 1 ATOM 55 C CD2 . PHE A 1 7 ? -5.431 2.245 -3.538 1.00 93.67 7 A 1 ATOM 56 C CE1 . PHE A 1 7 ? -6.528 -0.264 -3.106 1.00 92.85 7 A 1 ATOM 57 C CE2 . PHE A 1 7 ? -6.369 2.057 -2.531 1.00 92.81 7 A 1 ATOM 58 C CZ . PHE A 1 7 ? -6.916 0.805 -2.312 1.00 93.21 7 A 1 ATOM 59 N N . VAL A 1 8 ? -1.918 -0.936 -5.672 1.00 97.62 8 A 1 ATOM 60 C CA . VAL A 1 8 ? -1.557 -2.346 -5.534 1.00 97.71 8 A 1 ATOM 61 C C . VAL A 1 8 ? -0.288 -2.492 -4.697 1.00 97.85 8 A 1 ATOM 62 O O . VAL A 1 8 ? -0.202 -3.359 -3.822 1.00 97.63 8 A 1 ATOM 63 C CB . VAL A 1 8 ? -1.361 -3.001 -6.913 1.00 97.48 8 A 1 ATOM 64 C CG1 . VAL A 1 8 ? -0.925 -4.452 -6.775 1.00 95.63 8 A 1 ATOM 65 C CG2 . VAL A 1 8 ? -2.641 -2.919 -7.734 1.00 95.52 8 A 1 ATOM 66 N N . ILE A 1 9 ? 0.683 -1.643 -4.969 1.00 97.29 9 A 1 ATOM 67 C CA . ILE A 1 9 ? 1.946 -1.663 -4.237 1.00 97.15 9 A 1 ATOM 68 C C . ILE A 1 9 ? 1.708 -1.332 -2.765 1.00 97.27 9 A 1 ATOM 69 O O . ILE A 1 9 ? 2.293 -1.950 -1.871 1.00 97.02 9 A 1 ATOM 70 C CB . ILE A 1 9 ? 2.950 -0.665 -4.850 1.00 97.16 9 A 1 ATOM 71 C CG1 . ILE A 1 9 ? 3.318 -1.078 -6.277 1.00 95.58 9 A 1 ATOM 72 C CG2 . ILE A 1 9 ? 4.208 -0.574 -3.986 1.00 95.45 9 A 1 ATOM 73 C CD1 . ILE A 1 9 ? 3.867 0.065 -7.109 1.00 90.44 9 A 1 ATOM 74 N N . LEU A 1 10 ? 0.862 -0.362 -2.529 1.00 96.59 10 A 1 ATOM 75 C CA . LEU A 1 10 ? 0.535 0.056 -1.168 1.00 96.25 10 A 1 ATOM 76 C C . LEU A 1 10 ? -0.128 -1.079 -0.399 1.00 96.54 10 A 1 ATOM 77 O O . LEU A 1 10 ? 0.189 -1.326 0.767 1.00 96.54 10 A 1 ATOM 78 C CB . LEU A 1 10 ? -0.390 1.277 -1.210 1.00 96.13 10 A 1 ATOM 79 C CG . LEU A 1 10 ? -0.207 2.249 -0.052 1.00 91.86 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? -0.121 3.680 -0.570 1.00 90.10 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? -1.348 2.125 0.938 1.00 90.22 10 A 1 ATOM 82 N N . LEU A 1 11 ? -1.033 -1.766 -1.061 1.00 96.50 11 A 1 ATOM 83 C CA . LEU A 1 11 ? -1.743 -2.888 -0.458 1.00 96.29 11 A 1 ATOM 84 C C . LEU A 1 11 ? -0.772 -4.008 -0.106 1.00 96.63 11 A 1 ATOM 85 O O . LEU A 1 11 ? -0.859 -4.612 0.968 1.00 96.41 11 A 1 ATOM 86 C CB . LEU A 1 11 ? -2.818 -3.394 -1.429 1.00 95.98 11 A 1 ATOM 87 C CG . LEU A 1 11 ? -4.191 -3.603 -0.795 1.00 89.98 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? -5.295 -3.252 -1.782 1.00 89.07 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? -4.345 -5.033 -0.322 1.00 89.25 11 A 1 ATOM 90 N N . LEU A 1 12 ? 0.152 -4.269 -1.007 1.00 96.77 12 A 1 ATOM 91 C CA . LEU A 1 12 ? 1.164 -5.295 -0.794 1.00 96.58 12 A 1 ATOM 92 C C . LEU A 1 12 ? 2.064 -4.932 0.381 1.00 96.80 12 A 1 ATOM 93 O O . LEU A 1 12 ? 2.452 -5.798 1.167 1.00 96.24 12 A 1 ATOM 94 C CB . LEU A 1 12 ? 2.002 -5.465 -2.065 1.00 96.43 12 A 1 ATOM 95 C CG . LEU A 1 12 ? 1.452 -6.501 -3.045 1.00 89.46 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? 1.945 -6.231 -4.459 1.00 88.77 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? 1.870 -7.897 -2.598 1.00 89.47 12 A 1 ATOM 98 N N . LEU A 1 13 ? 2.390 -3.660 0.492 1.00 96.62 13 A 1 ATOM 99 C CA . LEU A 1 13 ? 3.232 -3.166 1.574 1.00 96.08 13 A 1 ATOM 100 C C . LEU A 1 13 ? 2.569 -3.399 2.926 1.00 96.18 13 A 1 ATOM 101 O O . LEU A 1 13 ? 3.201 -3.882 3.863 1.00 95.02 13 A 1 ATOM 102 C CB . LEU A 1 13 ? 3.507 -1.673 1.385 1.00 95.58 13 A 1 ATOM 103 C CG . LEU A 1 13 ? 4.638 -1.127 2.252 1.00 89.96 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? 5.955 -1.196 1.489 1.00 88.12 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? 4.354 0.297 2.677 1.00 87.81 13 A 1 ATOM 106 N N . ILE A 1 14 ? 1.300 -3.070 3.015 1.00 96.07 14 A 1 ATOM 107 C CA . ILE A 1 14 ? 0.543 -3.230 4.251 1.00 95.56 14 A 1 ATOM 108 C C . ILE A 1 14 ? 0.401 -4.704 4.612 1.00 95.71 14 A 1 ATOM 109 O O . ILE A 1 14 ? 0.528 -5.085 5.779 1.00 94.54 14 A 1 ATOM 110 C CB . ILE A 1 14 ? -0.850 -2.583 4.127 1.00 95.02 14 A 1 ATOM 111 C CG1 . ILE A 1 14 ? -0.732 -1.073 3.903 1.00 93.21 14 A 1 ATOM 112 C CG2 . ILE A 1 14 ? -1.678 -2.859 5.383 1.00 92.97 14 A 1 ATOM 113 C CD1 . ILE A 1 14 ? -1.973 -0.458 3.280 1.00 90.03 14 A 1 ATOM 114 N N . ALA A 1 15 ? 0.141 -5.519 3.606 1.00 96.93 15 A 1 ATOM 115 C CA . ALA A 1 15 ? -0.028 -6.952 3.816 1.00 96.46 15 A 1 ATOM 116 C C . ALA A 1 15 ? 1.285 -7.621 4.214 1.00 96.71 15 A 1 ATOM 117 O O . ALA A 1 15 ? 1.300 -8.522 5.052 1.00 95.22 15 A 1 ATOM 118 C CB . ALA A 1 15 ? -0.583 -7.600 2.550 1.00 95.52 15 A 1 ATOM 119 N N . SER A 1 16 ? 2.381 -7.180 3.613 1.00 96.19 16 A 1 ATOM 120 C CA . SER A 1 16 ? 3.691 -7.757 3.885 1.00 96.00 16 A 1 ATOM 121 C C . SER A 1 16 ? 4.244 -7.283 5.222 1.00 95.83 16 A 1 ATOM 122 O O . SER A 1 16 ? 4.842 -8.059 5.967 1.00 92.98 16 A 1 ATOM 123 C CB . SER A 1 16 ? 4.673 -7.405 2.768 1.00 94.25 16 A 1 ATOM 124 O OG . SER A 1 16 ? 4.905 -6.014 2.716 1.00 80.92 16 A 1 ATOM 125 N N . ALA A 1 17 ? 4.048 -6.015 5.522 1.00 95.02 17 A 1 ATOM 126 C CA . ALA A 1 17 ? 4.540 -5.438 6.770 1.00 94.38 17 A 1 ATOM 127 C C . ALA A 1 17 ? 3.488 -4.549 7.422 1.00 94.12 17 A 1 ATOM 128 O O . ALA A 1 17 ? 3.542 -3.322 7.313 1.00 91.53 17 A 1 ATOM 129 C CB . ALA A 1 17 ? 5.811 -4.642 6.503 1.00 92.16 17 A 1 ATOM 130 N N . PRO A 1 18 ? 2.533 -5.158 8.107 1.00 93.74 18 A 1 ATOM 131 C CA . PRO A 1 18 ? 1.479 -4.409 8.789 1.00 93.52 18 A 1 ATOM 132 C C . PRO A 1 18 ? 2.025 -3.676 10.004 1.00 93.78 18 A 1 ATOM 133 O O . PRO A 1 18 ? 2.839 -4.216 10.753 1.00 88.44 18 A 1 ATOM 134 C CB . PRO A 1 18 ? 0.481 -5.487 9.208 1.00 90.60 18 A 1 ATOM 135 C CG . PRO A 1 18 ? 1.292 -6.727 9.323 1.00 87.74 18 A 1 ATOM 136 C CD . PRO A 1 18 ? 2.381 -6.607 8.284 1.00 91.22 18 A 1 ATOM 137 N N . SER A 1 19 ? 1.575 -2.450 10.190 1.00 88.90 19 A 1 ATOM 138 C CA . SER A 1 19 ? 2.013 -1.646 11.321 1.00 89.60 19 A 1 ATOM 139 C C . SER A 1 19 ? 1.499 -2.250 12.621 1.00 89.29 19 A 1 ATOM 140 O O . SER A 1 19 ? 0.314 -2.553 12.753 1.00 83.96 19 A 1 ATOM 141 C CB . SER A 1 19 ? 1.517 -0.211 11.182 1.00 85.22 19 A 1 ATOM 142 O OG . SER A 1 19 ? 0.114 -0.164 11.052 1.00 70.88 19 A 1 ATOM 143 N N . VAL A 1 20 ? 2.399 -2.437 13.568 1.00 91.62 20 A 1 ATOM 144 C CA . VAL A 1 20 ? 2.035 -3.011 14.860 1.00 91.40 20 A 1 ATOM 145 C C . VAL A 1 20 ? 1.234 -2.002 15.669 1.00 91.89 20 A 1 ATOM 146 O O . VAL A 1 20 ? 1.714 -0.902 15.951 1.00 88.23 20 A 1 ATOM 147 C CB . VAL A 1 20 ? 3.282 -3.433 15.652 1.00 88.71 20 A 1 ATOM 148 C CG1 . VAL A 1 20 ? 2.878 -4.079 16.974 1.00 78.20 20 A 1 ATOM 149 C CG2 . VAL A 1 20 ? 4.131 -4.383 14.834 1.00 78.18 20 A 1 ATOM 150 N N . ASP A 1 21 ? 0.032 -2.389 16.030 1.00 86.82 21 A 1 ATOM 151 C CA . ASP A 1 21 ? -0.833 -1.531 16.830 1.00 87.37 21 A 1 ATOM 152 C C . ASP A 1 21 ? -0.649 -1.845 18.305 1.00 88.53 21 A 1 ATOM 153 O O . ASP A 1 21 ? -1.154 -2.841 18.813 1.00 84.93 21 A 1 ATOM 154 C CB . ASP A 1 21 ? -2.296 -1.721 16.424 1.00 84.67 21 A 1 ATOM 155 C CG . ASP A 1 21 ? -2.635 -3.153 16.084 1.00 77.08 21 A 1 ATOM 156 O OD1 . ASP A 1 21 ? -2.669 -3.988 17.003 1.00 71.02 21 A 1 ATOM 157 O OD2 . ASP A 1 21 ? -2.868 -3.435 14.896 1.00 73.74 21 A 1 ATOM 158 N N . ALA A 1 22 ? 0.092 -0.988 18.983 1.00 89.17 22 A 1 ATOM 159 C CA . ALA A 1 22 ? 0.359 -1.168 20.400 1.00 88.90 22 A 1 ATOM 160 C C . ALA A 1 22 ? -0.295 -0.055 21.217 1.00 86.35 22 A 1 ATOM 161 O O . ALA A 1 22 ? -0.118 1.116 20.867 1.00 81.51 22 A 1 ATOM 162 C CB . ALA A 1 22 ? 1.859 -1.210 20.659 1.00 83.86 22 A 1 ATOM 163 O OXT . ALA A 1 22 ? -0.988 -0.367 22.207 1.00 71.80 22 A 1 #