# 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_spkb25741 # _entry.id spkb25741 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)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" "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 SER 2 1 n PRO 3 1 n SER 4 1 n CYS 5 1 n SER 6 1 n SER 7 1 n CYS 8 1 n VAL 9 1 n ASN 10 1 n VAL 11 1 n LEU 12 1 n LEU 13 1 n ILE 14 1 n MET 15 1 n CYS 16 1 n LEU 17 1 n MET 18 1 n LEU 19 1 n LEU 20 1 n SER 21 1 n LEU 22 1 n SER 23 1 n ALA 24 1 n ASP 25 1 n ALA 26 # _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 11:56:34)" _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 88.18 _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 69.41 1 1 A SER 2 2 74.52 1 2 A PRO 3 2 79.79 1 3 A SER 4 2 81.42 1 4 A CYS 5 2 83.82 1 5 A SER 6 2 88.20 1 6 A SER 7 2 90.26 1 7 A CYS 8 2 90.58 1 8 A VAL 9 2 92.62 1 9 A ASN 10 2 90.91 1 10 A VAL 11 2 93.92 1 11 A LEU 12 2 91.79 1 12 A LEU 13 2 91.55 1 13 A ILE 14 2 94.61 1 14 A MET 15 2 89.88 1 15 A CYS 16 2 92.56 1 16 A LEU 17 2 92.86 1 17 A MET 18 2 89.89 1 18 A LEU 19 2 92.50 1 19 A LEU 20 2 92.60 1 20 A SER 21 2 93.65 1 21 A LEU 22 2 91.78 1 22 A SER 23 2 90.21 1 23 A ALA 24 2 91.16 1 24 A ASP 25 2 79.57 1 25 A ALA 26 2 79.88 1 26 # _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 SER . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n VAL . 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 MET . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n ALA . 26 A 26 # _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 ? 6.733 -2.627 18.952 1.00 74.78 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.271 -2.828 18.868 1.00 75.51 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.983 -3.413 17.495 1.00 77.50 1 A 1 ATOM 4 O O . MET A 1 1 ? 5.216 -2.732 16.506 1.00 73.16 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.527 -1.504 19.061 1.00 70.86 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.463 -1.110 20.540 1.00 66.85 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.948 0.609 20.774 1.00 60.26 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.561 0.598 22.533 1.00 56.37 1 A 1 ATOM 9 N N . SER A 1 2 ? 4.575 -4.663 17.417 1.00 75.68 2 A 1 ATOM 10 C CA . SER A 1 2 ? 4.189 -5.272 16.140 1.00 77.78 2 A 1 ATOM 11 C C . SER A 1 2 ? 2.923 -4.577 15.635 1.00 79.35 2 A 1 ATOM 12 O O . SER A 1 2 ? 1.986 -4.417 16.420 1.00 76.32 2 A 1 ATOM 13 C CB . SER A 1 2 ? 3.945 -6.769 16.315 1.00 73.61 2 A 1 ATOM 14 O OG . SER A 1 2 ? 5.017 -7.352 17.038 1.00 64.39 2 A 1 ATOM 15 N N . PRO A 1 3 ? 2.870 -4.131 14.373 1.00 79.61 3 A 1 ATOM 16 C CA . PRO A 1 3 ? 1.640 -3.585 13.820 1.00 83.29 3 A 1 ATOM 17 C C . PRO A 1 3 ? 0.554 -4.656 13.898 1.00 86.19 3 A 1 ATOM 18 O O . PRO A 1 3 ? 0.798 -5.825 13.590 1.00 81.04 3 A 1 ATOM 19 C CB . PRO A 1 3 ? 1.983 -3.177 12.387 1.00 78.87 3 A 1 ATOM 20 C CG . PRO A 1 3 ? 3.184 -4.036 12.032 1.00 73.63 3 A 1 ATOM 21 C CD . PRO A 1 3 ? 3.894 -4.255 13.364 1.00 75.93 3 A 1 ATOM 22 N N . SER A 1 4 ? -0.634 -4.269 14.333 1.00 82.13 4 A 1 ATOM 23 C CA . SER A 1 4 ? -1.759 -5.198 14.350 1.00 86.43 4 A 1 ATOM 24 C C . SER A 1 4 ? -2.049 -5.669 12.924 1.00 87.04 4 A 1 ATOM 25 O O . SER A 1 4 ? -1.807 -4.941 11.956 1.00 83.02 4 A 1 ATOM 26 C CB . SER A 1 4 ? -2.981 -4.552 14.995 1.00 80.98 4 A 1 ATOM 27 O OG . SER A 1 4 ? -3.390 -3.413 14.276 1.00 68.95 4 A 1 ATOM 28 N N . CYS A 1 5 ? -2.578 -6.891 12.763 1.00 84.39 5 A 1 ATOM 29 C CA . CYS A 1 5 ? -2.919 -7.419 11.437 1.00 87.13 5 A 1 ATOM 30 C C . CYS A 1 5 ? -3.814 -6.453 10.648 1.00 89.09 5 A 1 ATOM 31 O O . CYS A 1 5 ? -3.629 -6.293 9.450 1.00 85.94 5 A 1 ATOM 32 C CB . CYS A 1 5 ? -3.603 -8.782 11.598 1.00 82.43 5 A 1 ATOM 33 S SG . CYS A 1 5 ? -2.447 -9.989 12.307 1.00 73.93 5 A 1 ATOM 34 N N . SER A 1 6 ? -4.732 -5.757 11.319 1.00 89.35 6 A 1 ATOM 35 C CA . SER A 1 6 ? -5.591 -4.745 10.696 1.00 91.82 6 A 1 ATOM 36 C C . SER A 1 6 ? -4.804 -3.544 10.159 1.00 92.71 6 A 1 ATOM 37 O O . SER A 1 6 ? -5.070 -3.086 9.049 1.00 90.40 6 A 1 ATOM 38 C CB . SER A 1 6 ? -6.641 -4.278 11.699 1.00 88.96 6 A 1 ATOM 39 O OG . SER A 1 6 ? -6.036 -3.761 12.865 1.00 75.94 6 A 1 ATOM 40 N N . SER A 1 7 ? -3.803 -3.062 10.884 1.00 91.62 7 A 1 ATOM 41 C CA . SER A 1 7 ? -2.936 -1.969 10.429 1.00 93.58 7 A 1 ATOM 42 C C . SER A 1 7 ? -2.097 -2.384 9.223 1.00 94.81 7 A 1 ATOM 43 O O . SER A 1 7 ? -1.954 -1.606 8.286 1.00 92.73 7 A 1 ATOM 44 C CB . SER A 1 7 ? -2.015 -1.503 11.555 1.00 90.56 7 A 1 ATOM 45 O OG . SER A 1 7 ? -2.762 -1.081 12.676 1.00 78.27 7 A 1 ATOM 46 N N . CYS A 1 8 ? -1.583 -3.619 9.209 1.00 90.58 8 A 1 ATOM 47 C CA . CYS A 1 8 ? -0.817 -4.153 8.083 1.00 92.89 8 A 1 ATOM 48 C C . CYS A 1 8 ? -1.675 -4.245 6.810 1.00 94.34 8 A 1 ATOM 49 O O . CYS A 1 8 ? -1.250 -3.805 5.747 1.00 92.70 8 A 1 ATOM 50 C CB . CYS A 1 8 ? -0.237 -5.515 8.483 1.00 90.19 8 A 1 ATOM 51 S SG . CYS A 1 8 ? 0.907 -6.110 7.218 1.00 82.80 8 A 1 ATOM 52 N N . VAL A 1 9 ? -2.899 -4.750 6.922 1.00 94.19 9 A 1 ATOM 53 C CA . VAL A 1 9 ? -3.846 -4.843 5.799 1.00 94.69 9 A 1 ATOM 54 C C . VAL A 1 9 ? -4.208 -3.456 5.258 1.00 95.60 9 A 1 ATOM 55 O O . VAL A 1 9 ? -4.218 -3.263 4.043 1.00 95.35 9 A 1 ATOM 56 C CB . VAL A 1 9 ? -5.099 -5.626 6.215 1.00 93.34 9 A 1 ATOM 57 C CG1 . VAL A 1 9 ? -6.197 -5.578 5.153 1.00 87.61 9 A 1 ATOM 58 C CG2 . VAL A 1 9 ? -4.744 -7.101 6.442 1.00 87.56 9 A 1 ATOM 59 N N . ASN A 1 10 ? -4.436 -2.468 6.129 1.00 93.35 10 A 1 ATOM 60 C CA . ASN A 1 10 ? -4.727 -1.096 5.705 1.00 94.28 10 A 1 ATOM 61 C C . ASN A 1 10 ? -3.556 -0.468 4.946 1.00 95.44 10 A 1 ATOM 62 O O . ASN A 1 10 ? -3.766 0.142 3.901 1.00 95.31 10 A 1 ATOM 63 C CB . ASN A 1 10 ? -5.102 -0.245 6.924 1.00 92.73 10 A 1 ATOM 64 C CG . ASN A 1 10 ? -6.565 -0.352 7.292 1.00 88.08 10 A 1 ATOM 65 O OD1 . ASN A 1 10 ? -7.413 -0.781 6.527 1.00 83.90 10 A 1 ATOM 66 N ND2 . ASN A 1 10 ? -6.924 0.078 8.480 1.00 84.22 10 A 1 ATOM 67 N N . VAL A 1 11 ? -2.321 -0.636 5.424 1.00 95.15 11 A 1 ATOM 68 C CA . VAL A 1 11 ? -1.123 -0.137 4.734 1.00 95.11 11 A 1 ATOM 69 C C . VAL A 1 11 ? -0.970 -0.811 3.370 1.00 95.93 11 A 1 ATOM 70 O O . VAL A 1 11 ? -0.689 -0.135 2.383 1.00 95.27 11 A 1 ATOM 71 C CB . VAL A 1 11 ? 0.130 -0.336 5.602 1.00 94.11 11 A 1 ATOM 72 C CG1 . VAL A 1 11 ? 1.422 -0.019 4.851 1.00 90.79 11 A 1 ATOM 73 C CG2 . VAL A 1 11 ? 0.075 0.584 6.828 1.00 91.05 11 A 1 ATOM 74 N N . LEU A 1 12 ? -1.195 -2.119 3.289 1.00 94.94 12 A 1 ATOM 75 C CA . LEU A 1 12 ? -1.123 -2.861 2.033 1.00 94.91 12 A 1 ATOM 76 C C . LEU A 1 12 ? -2.175 -2.369 1.027 1.00 95.44 12 A 1 ATOM 77 O O . LEU A 1 12 ? -1.853 -2.156 -0.138 1.00 95.48 12 A 1 ATOM 78 C CB . LEU A 1 12 ? -1.289 -4.362 2.324 1.00 94.44 12 A 1 ATOM 79 C CG . LEU A 1 12 ? -0.667 -5.239 1.225 1.00 86.53 12 A 1 ATOM 80 C CD1 . LEU A 1 12 ? 0.830 -5.457 1.482 1.00 85.52 12 A 1 ATOM 81 C CD2 . LEU A 1 12 ? -1.350 -6.604 1.187 1.00 87.06 12 A 1 ATOM 82 N N . LEU A 1 13 ? -3.409 -2.137 1.473 1.00 95.46 13 A 1 ATOM 83 C CA . LEU A 1 13 ? -4.485 -1.591 0.640 1.00 95.25 13 A 1 ATOM 84 C C . LEU A 1 13 ? -4.139 -0.204 0.094 1.00 95.66 13 A 1 ATOM 85 O O . LEU A 1 13 ? -4.313 0.041 -1.099 1.00 95.73 13 A 1 ATOM 86 C CB . LEU A 1 13 ? -5.787 -1.533 1.458 1.00 94.55 13 A 1 ATOM 87 C CG . LEU A 1 13 ? -6.592 -2.840 1.405 1.00 86.00 13 A 1 ATOM 88 C CD1 . LEU A 1 13 ? -7.641 -2.844 2.514 1.00 84.21 13 A 1 ATOM 89 C CD2 . LEU A 1 13 ? -7.304 -2.988 0.061 1.00 85.57 13 A 1 ATOM 90 N N . ILE A 1 14 ? -3.612 0.689 0.936 1.00 95.99 14 A 1 ATOM 91 C CA . ILE A 1 14 ? -3.196 2.035 0.520 1.00 95.83 14 A 1 ATOM 92 C C . ILE A 1 14 ? -2.077 1.943 -0.524 1.00 96.00 14 A 1 ATOM 93 O O . ILE A 1 14 ? -2.142 2.618 -1.553 1.00 95.42 14 A 1 ATOM 94 C CB . ILE A 1 14 ? -2.782 2.866 1.750 1.00 95.54 14 A 1 ATOM 95 C CG1 . ILE A 1 14 ? -4.015 3.198 2.621 1.00 93.92 14 A 1 ATOM 96 C CG2 . ILE A 1 14 ? -2.083 4.178 1.327 1.00 93.97 14 A 1 ATOM 97 C CD1 . ILE A 1 14 ? -3.652 3.671 4.033 1.00 90.19 14 A 1 ATOM 98 N N . MET A 1 15 ? -1.079 1.091 -0.308 1.00 95.32 15 A 1 ATOM 99 C CA . MET A 1 15 ? 0.009 0.873 -1.264 1.00 94.72 15 A 1 ATOM 100 C C . MET A 1 15 ? -0.510 0.337 -2.602 1.00 95.16 15 A 1 ATOM 101 O O . MET A 1 15 ? -0.117 0.832 -3.653 1.00 94.42 15 A 1 ATOM 102 C CB . MET A 1 15 ? 1.041 -0.093 -0.653 1.00 94.09 15 A 1 ATOM 103 C CG . MET A 1 15 ? 1.968 0.630 0.335 1.00 89.29 15 A 1 ATOM 104 S SD . MET A 1 15 ? 3.275 1.550 -0.501 1.00 82.53 15 A 1 ATOM 105 C CE . MET A 1 15 ? 3.973 2.457 0.890 1.00 73.49 15 A 1 ATOM 106 N N . CYS A 1 16 ? -1.425 -0.639 -2.587 1.00 93.41 16 A 1 ATOM 107 C CA . CYS A 1 16 ? -2.041 -1.164 -3.806 1.00 93.72 16 A 1 ATOM 108 C C . CYS A 1 16 ? -2.826 -0.085 -4.564 1.00 94.52 16 A 1 ATOM 109 O O . CYS A 1 16 ? -2.712 0.008 -5.781 1.00 93.15 16 A 1 ATOM 110 C CB . CYS A 1 16 ? -2.961 -2.343 -3.448 1.00 92.66 16 A 1 ATOM 111 S SG . CYS A 1 16 ? -1.988 -3.808 -3.006 1.00 87.90 16 A 1 ATOM 112 N N . LEU A 1 17 ? -3.586 0.757 -3.864 1.00 94.92 17 A 1 ATOM 113 C CA . LEU A 1 17 ? -4.335 1.860 -4.476 1.00 95.16 17 A 1 ATOM 114 C C . LEU A 1 17 ? -3.401 2.914 -5.078 1.00 95.76 17 A 1 ATOM 115 O O . LEU A 1 17 ? -3.653 3.386 -6.186 1.00 95.05 17 A 1 ATOM 116 C CB . LEU A 1 17 ? -5.264 2.496 -3.428 1.00 94.43 17 A 1 ATOM 117 C CG . LEU A 1 17 ? -6.493 1.642 -3.073 1.00 90.30 17 A 1 ATOM 118 C CD1 . LEU A 1 17 ? -7.192 2.244 -1.851 1.00 88.20 17 A 1 ATOM 119 C CD2 . LEU A 1 17 ? -7.499 1.585 -4.224 1.00 89.06 17 A 1 ATOM 120 N N . MET A 1 18 ? -2.307 3.259 -4.396 1.00 95.80 18 A 1 ATOM 121 C CA . MET A 1 18 ? -1.296 4.182 -4.920 1.00 95.37 18 A 1 ATOM 122 C C . MET A 1 18 ? -0.645 3.633 -6.192 1.00 95.68 18 A 1 ATOM 123 O O . MET A 1 18 ? -0.551 4.349 -7.185 1.00 94.45 18 A 1 ATOM 124 C CB . MET A 1 18 ? -0.224 4.469 -3.858 1.00 94.43 18 A 1 ATOM 125 C CG . MET A 1 18 ? -0.721 5.465 -2.805 1.00 88.96 18 A 1 ATOM 126 S SD . MET A 1 18 ? 0.589 5.953 -1.640 1.00 81.38 18 A 1 ATOM 127 C CE . MET A 1 18 ? -0.238 7.320 -0.811 1.00 73.05 18 A 1 ATOM 128 N N . LEU A 1 19 ? -0.254 2.358 -6.201 1.00 95.74 19 A 1 ATOM 129 C CA . LEU A 1 19 ? 0.331 1.711 -7.378 1.00 95.64 19 A 1 ATOM 130 C C . LEU A 1 19 ? -0.660 1.649 -8.544 1.00 95.96 19 A 1 ATOM 131 O O . LEU A 1 19 ? -0.282 1.909 -9.687 1.00 94.86 19 A 1 ATOM 132 C CB . LEU A 1 19 ? 0.800 0.295 -6.995 1.00 94.32 19 A 1 ATOM 133 C CG . LEU A 1 19 ? 2.075 0.274 -6.131 1.00 89.73 19 A 1 ATOM 134 C CD1 . LEU A 1 19 ? 2.309 -1.142 -5.607 1.00 86.43 19 A 1 ATOM 135 C CD2 . LEU A 1 19 ? 3.306 0.702 -6.930 1.00 87.30 19 A 1 ATOM 136 N N . LEU A 1 20 ? -1.924 1.343 -8.270 1.00 96.20 20 A 1 ATOM 137 C CA . LEU A 1 20 ? -2.973 1.315 -9.287 1.00 95.67 20 A 1 ATOM 138 C C . LEU A 1 20 ? -3.208 2.709 -9.880 1.00 96.12 20 A 1 ATOM 139 O O . LEU A 1 20 ? -3.314 2.845 -11.098 1.00 95.37 20 A 1 ATOM 140 C CB . LEU A 1 20 ? -4.257 0.742 -8.661 1.00 94.61 20 A 1 ATOM 141 C CG . LEU A 1 20 ? -5.363 0.449 -9.686 1.00 89.67 20 A 1 ATOM 142 C CD1 . LEU A 1 20 ? -5.002 -0.754 -10.573 1.00 86.15 20 A 1 ATOM 143 C CD2 . LEU A 1 20 ? -6.669 0.131 -8.958 1.00 87.00 20 A 1 ATOM 144 N N . SER A 1 21 ? -3.241 3.749 -9.043 1.00 96.23 21 A 1 ATOM 145 C CA . SER A 1 21 ? -3.407 5.137 -9.486 1.00 96.23 21 A 1 ATOM 146 C C . SER A 1 21 ? -2.222 5.592 -10.346 1.00 96.08 21 A 1 ATOM 147 O O . SER A 1 21 ? -2.432 6.171 -11.409 1.00 94.13 21 A 1 ATOM 148 C CB . SER A 1 21 ? -3.576 6.073 -8.283 1.00 94.82 21 A 1 ATOM 149 O OG . SER A 1 21 ? -4.705 5.712 -7.509 1.00 84.42 21 A 1 ATOM 150 N N . LEU A 1 22 ? -0.990 5.275 -9.946 1.00 96.14 22 A 1 ATOM 151 C CA . LEU A 1 22 ? 0.215 5.568 -10.729 1.00 95.59 22 A 1 ATOM 152 C C . LEU A 1 22 ? 0.222 4.835 -12.074 1.00 95.47 22 A 1 ATOM 153 O O . LEU A 1 22 ? 0.621 5.411 -13.080 1.00 94.10 22 A 1 ATOM 154 C CB . LEU A 1 22 ? 1.447 5.179 -9.894 1.00 94.52 22 A 1 ATOM 155 C CG . LEU A 1 22 ? 1.888 6.296 -8.936 1.00 89.90 22 A 1 ATOM 156 C CD1 . LEU A 1 22 ? 2.598 5.722 -7.716 1.00 84.14 22 A 1 ATOM 157 C CD2 . LEU A 1 22 ? 2.848 7.256 -9.640 1.00 84.42 22 A 1 ATOM 158 N N . SER A 1 23 ? -0.233 3.578 -12.104 1.00 94.35 23 A 1 ATOM 159 C CA . SER A 1 23 ? -0.303 2.786 -13.336 1.00 94.17 23 A 1 ATOM 160 C C . SER A 1 23 ? -1.416 3.258 -14.275 1.00 93.16 23 A 1 ATOM 161 O O . SER A 1 23 ? -1.302 3.084 -15.483 1.00 89.96 23 A 1 ATOM 162 C CB . SER A 1 23 ? -0.524 1.306 -13.014 1.00 91.44 23 A 1 ATOM 163 O OG . SER A 1 23 ? 0.510 0.807 -12.185 1.00 78.17 23 A 1 ATOM 164 N N . ALA A 1 24 ? -2.497 3.833 -13.741 1.00 93.39 24 A 1 ATOM 165 C CA . ALA A 1 24 ? -3.607 4.365 -14.534 1.00 92.54 24 A 1 ATOM 166 C C . ALA A 1 24 ? -3.306 5.755 -15.122 1.00 91.54 24 A 1 ATOM 167 O O . ALA A 1 24 ? -3.947 6.147 -16.097 1.00 88.54 24 A 1 ATOM 168 C CB . ALA A 1 24 ? -4.868 4.387 -13.660 1.00 89.81 24 A 1 ATOM 169 N N . ASP A 1 25 ? -2.349 6.488 -14.547 1.00 88.29 25 A 1 ATOM 170 C CA . ASP A 1 25 ? -1.909 7.808 -15.029 1.00 87.88 25 A 1 ATOM 171 C C . ASP A 1 25 ? -0.777 7.710 -16.073 1.00 86.97 25 A 1 ATOM 172 O O . ASP A 1 25 ? -0.418 8.705 -16.698 1.00 81.54 25 A 1 ATOM 173 C CB . ASP A 1 25 ? -1.507 8.661 -13.817 1.00 82.69 25 A 1 ATOM 174 C CG . ASP A 1 25 ? -1.688 10.156 -14.047 1.00 73.01 25 A 1 ATOM 175 O OD1 . ASP A 1 25 ? -0.671 10.844 -14.266 1.00 67.05 25 A 1 ATOM 176 O OD2 . ASP A 1 25 ? -2.841 10.626 -13.954 1.00 69.10 25 A 1 ATOM 177 N N . ALA A 1 26 ? -0.223 6.517 -16.273 1.00 88.52 26 A 1 ATOM 178 C CA . ALA A 1 26 ? 0.848 6.238 -17.230 1.00 86.31 26 A 1 ATOM 179 C C . ALA A 1 26 ? 0.327 5.740 -18.583 1.00 81.14 26 A 1 ATOM 180 O O . ALA A 1 26 ? -0.681 5.005 -18.610 1.00 75.06 26 A 1 ATOM 181 C CB . ALA A 1 26 ? 1.842 5.256 -16.602 1.00 79.65 26 A 1 ATOM 182 O OXT . ALA A 1 26 ? 0.958 6.091 -19.609 1.00 68.63 26 A 1 #