# 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_spkb35339 # _entry.id spkb35339 # 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ASN 2 1 n PHE 3 1 n ASN 4 1 n MET 5 1 n SER 6 1 n MET 7 1 n ILE 8 1 n CYS 9 1 n PHE 10 1 n ALA 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n ILE 15 1 n VAL 16 1 n THR 17 1 n LEU 18 1 n CYS 19 1 n SER 20 1 n ALA 21 # _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 @ 2025-07-13 08:21:39)" _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 93.07 _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 80.37 1 1 A ASN 2 2 84.68 1 2 A PHE 3 2 91.31 1 3 A ASN 4 2 91.10 1 4 A MET 5 2 90.02 1 5 A SER 6 2 95.23 1 6 A MET 7 2 91.88 1 7 A ILE 8 2 95.27 1 8 A CYS 9 2 95.85 1 9 A PHE 10 2 95.22 1 10 A ALA 11 2 97.64 1 11 A LEU 12 2 95.46 1 12 A LEU 13 2 95.13 1 13 A LEU 14 2 95.75 1 14 A ILE 15 2 96.69 1 15 A VAL 16 2 96.81 1 16 A THR 17 2 96.32 1 17 A LEU 18 2 95.88 1 18 A CYS 19 2 95.81 1 19 A SER 20 2 93.57 1 20 A ALA 21 2 87.57 1 21 # _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 ASN . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n CYS . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -6.862 0.906 15.158 1.00 86.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.266 0.964 13.812 1.00 88.28 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.786 1.337 13.907 1.00 89.87 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.443 2.433 14.338 1.00 87.68 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.992 1.976 12.925 1.00 83.52 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.252 3.320 13.608 1.00 76.85 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.323 4.377 12.617 1.00 68.43 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.882 5.525 13.864 1.00 61.73 1 A 1 ATOM 9 N N . ASN A 1 2 ? -3.924 0.419 13.516 1.00 87.34 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -2.488 0.668 13.546 1.00 90.91 2 A 1 ATOM 11 C C . ASN A 1 2 ? -2.053 1.352 12.253 1.00 92.10 2 A 1 ATOM 12 O O . ASN A 1 2 ? -2.458 0.938 11.165 1.00 91.28 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -1.735 -0.646 13.743 1.00 87.01 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -1.971 -1.235 15.120 1.00 78.96 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -2.347 -0.542 16.055 1.00 75.86 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -1.739 -2.530 15.252 1.00 73.98 2 A 1 ATOM 17 N N . PHE A 1 3 ? -1.230 2.390 12.363 1.00 95.61 3 A 1 ATOM 18 C CA . PHE A 1 3 ? -0.741 3.124 11.196 1.00 96.05 3 A 1 ATOM 19 C C . PHE A 1 3 ? 0.078 2.218 10.270 1.00 96.71 3 A 1 ATOM 20 O O . PHE A 1 3 ? 0.048 2.387 9.047 1.00 96.37 3 A 1 ATOM 21 C CB . PHE A 1 3 ? 0.100 4.323 11.651 1.00 95.32 3 A 1 ATOM 22 C CG . PHE A 1 3 ? -0.722 5.408 12.311 1.00 91.13 3 A 1 ATOM 23 C CD1 . PHE A 1 3 ? -1.462 6.293 11.533 1.00 88.16 3 A 1 ATOM 24 C CD2 . PHE A 1 3 ? -0.752 5.540 13.690 1.00 87.72 3 A 1 ATOM 25 C CE1 . PHE A 1 3 ? -2.225 7.296 12.121 1.00 85.74 3 A 1 ATOM 26 C CE2 . PHE A 1 3 ? -1.515 6.542 14.291 1.00 86.71 3 A 1 ATOM 27 C CZ . PHE A 1 3 ? -2.250 7.419 13.504 1.00 84.86 3 A 1 ATOM 28 N N . ASN A 1 4 ? 0.796 1.242 10.848 1.00 94.85 4 A 1 ATOM 29 C CA . ASN A 1 4 ? 1.586 0.297 10.061 1.00 96.08 4 A 1 ATOM 30 C C . ASN A 1 4 ? 0.687 -0.528 9.136 1.00 96.19 4 A 1 ATOM 31 O O . ASN A 1 4 ? 1.008 -0.735 7.963 1.00 95.97 4 A 1 ATOM 32 C CB . ASN A 1 4 ? 2.390 -0.621 10.989 1.00 95.13 4 A 1 ATOM 33 C CG . ASN A 1 4 ? 3.460 0.133 11.759 1.00 87.85 4 A 1 ATOM 34 O OD1 . ASN A 1 4 ? 3.811 1.256 11.432 1.00 82.23 4 A 1 ATOM 35 N ND2 . ASN A 1 4 ? 4.001 -0.489 12.790 1.00 80.49 4 A 1 ATOM 36 N N . MET A 1 5 ? -0.444 -0.989 9.656 1.00 96.24 5 A 1 ATOM 37 C CA . MET A 1 5 ? -1.397 -1.767 8.863 1.00 96.33 5 A 1 ATOM 38 C C . MET A 1 5 ? -2.013 -0.903 7.760 1.00 96.59 5 A 1 ATOM 39 O O . MET A 1 5 ? -2.246 -1.377 6.646 1.00 96.35 5 A 1 ATOM 40 C CB . MET A 1 5 ? -2.494 -2.338 9.767 1.00 95.54 5 A 1 ATOM 41 C CG . MET A 1 5 ? -1.950 -3.327 10.791 1.00 89.37 5 A 1 ATOM 42 S SD . MET A 1 5 ? -1.267 -4.814 10.060 1.00 79.05 5 A 1 ATOM 43 C CE . MET A 1 5 ? -2.771 -5.700 9.665 1.00 70.65 5 A 1 ATOM 44 N N . SER A 1 6 ? -2.249 0.374 8.052 1.00 96.73 6 A 1 ATOM 45 C CA . SER A 1 6 ? -2.788 1.316 7.077 1.00 96.93 6 A 1 ATOM 46 C C . SER A 1 6 ? -1.797 1.541 5.931 1.00 97.36 6 A 1 ATOM 47 O O . SER A 1 6 ? -2.187 1.599 4.766 1.00 97.13 6 A 1 ATOM 48 C CB . SER A 1 6 ? -3.123 2.643 7.755 1.00 96.34 6 A 1 ATOM 49 O OG . SER A 1 6 ? -3.715 3.528 6.829 1.00 86.89 6 A 1 ATOM 50 N N . MET A 1 7 ? -0.502 1.648 6.265 1.00 96.75 7 A 1 ATOM 51 C CA . MET A 1 7 ? 0.545 1.820 5.256 1.00 97.13 7 A 1 ATOM 52 C C . MET A 1 7 ? 0.621 0.609 4.326 1.00 97.52 7 A 1 ATOM 53 O O . MET A 1 7 ? 0.758 0.756 3.112 1.00 97.33 7 A 1 ATOM 54 C CB . MET A 1 7 ? 1.901 2.046 5.923 1.00 96.80 7 A 1 ATOM 55 C CG . MET A 1 7 ? 2.024 3.429 6.538 1.00 90.90 7 A 1 ATOM 56 S SD . MET A 1 7 ? 3.646 3.709 7.264 1.00 83.41 7 A 1 ATOM 57 C CE . MET A 1 7 ? 3.495 5.438 7.695 1.00 75.23 7 A 1 ATOM 58 N N . ILE A 1 8 ? 0.514 -0.589 4.899 1.00 96.89 8 A 1 ATOM 59 C CA . ILE A 1 8 ? 0.548 -1.822 4.116 1.00 96.94 8 A 1 ATOM 60 C C . ILE A 1 8 ? -0.657 -1.876 3.177 1.00 97.20 8 A 1 ATOM 61 O O . ILE A 1 8 ? -0.525 -2.218 1.998 1.00 97.23 8 A 1 ATOM 62 C CB . ILE A 1 8 ? 0.588 -3.055 5.035 1.00 97.02 8 A 1 ATOM 63 C CG1 . ILE A 1 8 ? 1.906 -3.088 5.823 1.00 94.85 8 A 1 ATOM 64 C CG2 . ILE A 1 8 ? 0.431 -4.343 4.219 1.00 93.83 8 A 1 ATOM 65 C CD1 . ILE A 1 8 ? 1.894 -4.067 6.988 1.00 88.19 8 A 1 ATOM 66 N N . CYS A 1 9 ? -1.818 -1.517 3.685 1.00 96.75 9 A 1 ATOM 67 C CA . CYS A 1 9 ? -3.037 -1.498 2.881 1.00 96.88 9 A 1 ATOM 68 C C . CYS A 1 9 ? -2.913 -0.504 1.721 1.00 97.29 9 A 1 ATOM 69 O O . CYS A 1 9 ? -3.293 -0.801 0.588 1.00 97.03 9 A 1 ATOM 70 C CB . CYS A 1 9 ? -4.233 -1.138 3.768 1.00 96.33 9 A 1 ATOM 71 S SG . CYS A 1 9 ? -5.791 -1.211 2.865 1.00 90.84 9 A 1 ATOM 72 N N . PHE A 1 10 ? -2.357 0.671 2.004 1.00 96.95 10 A 1 ATOM 73 C CA . PHE A 1 10 ? -2.147 1.695 0.980 1.00 97.06 10 A 1 ATOM 74 C C . PHE A 1 10 ? -1.165 1.213 -0.082 1.00 97.53 10 A 1 ATOM 75 O O . PHE A 1 10 ? -1.375 1.434 -1.280 1.00 97.53 10 A 1 ATOM 76 C CB . PHE A 1 10 ? -1.643 2.983 1.635 1.00 96.85 10 A 1 ATOM 77 C CG . PHE A 1 10 ? -1.521 4.131 0.664 1.00 95.53 10 A 1 ATOM 78 C CD1 . PHE A 1 10 ? -2.658 4.782 0.189 1.00 93.51 10 A 1 ATOM 79 C CD2 . PHE A 1 10 ? -0.270 4.554 0.237 1.00 93.98 10 A 1 ATOM 80 C CE1 . PHE A 1 10 ? -2.547 5.839 -0.707 1.00 92.85 10 A 1 ATOM 81 C CE2 . PHE A 1 10 ? -0.155 5.614 -0.668 1.00 92.71 10 A 1 ATOM 82 C CZ . PHE A 1 10 ? -1.291 6.253 -1.141 1.00 92.93 10 A 1 ATOM 83 N N . ALA A 1 11 ? -0.091 0.535 0.347 1.00 97.54 11 A 1 ATOM 84 C CA . ALA A 1 11 ? 0.903 -0.007 -0.578 1.00 97.65 11 A 1 ATOM 85 C C . ALA A 1 11 ? 0.273 -1.051 -1.503 1.00 98.02 11 A 1 ATOM 86 O O . ALA A 1 11 ? 0.553 -1.071 -2.703 1.00 97.65 11 A 1 ATOM 87 C CB . ALA A 1 11 ? 2.068 -0.609 0.206 1.00 97.32 11 A 1 ATOM 88 N N . LEU A 1 12 ? -0.585 -1.903 -0.955 1.00 97.48 12 A 1 ATOM 89 C CA . LEU A 1 12 ? -1.272 -2.919 -1.746 1.00 97.46 12 A 1 ATOM 90 C C . LEU A 1 12 ? -2.183 -2.272 -2.787 1.00 97.80 12 A 1 ATOM 91 O O . LEU A 1 12 ? -2.237 -2.719 -3.936 1.00 97.58 12 A 1 ATOM 92 C CB . LEU A 1 12 ? -2.082 -3.838 -0.827 1.00 97.18 12 A 1 ATOM 93 C CG . LEU A 1 12 ? -1.232 -4.783 0.019 1.00 92.78 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? -2.093 -5.458 1.081 1.00 91.04 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? -0.566 -5.841 -0.853 1.00 92.37 12 A 1 ATOM 96 N N . LEU A 1 13 ? -2.881 -1.204 -2.409 1.00 97.65 13 A 1 ATOM 97 C CA . LEU A 1 13 ? -3.744 -0.474 -3.334 1.00 97.57 13 A 1 ATOM 98 C C . LEU A 1 13 ? -2.930 0.139 -4.473 1.00 97.97 13 A 1 ATOM 99 O O . LEU A 1 13 ? -3.358 0.112 -5.632 1.00 97.81 13 A 1 ATOM 100 C CB . LEU A 1 13 ? -4.508 0.619 -2.582 1.00 97.14 13 A 1 ATOM 101 C CG . LEU A 1 13 ? -5.627 0.090 -1.683 1.00 91.93 13 A 1 ATOM 102 C CD1 . LEU A 1 13 ? -6.142 1.201 -0.770 1.00 89.80 13 A 1 ATOM 103 C CD2 . LEU A 1 13 ? -6.777 -0.462 -2.519 1.00 91.18 13 A 1 ATOM 104 N N . LEU A 1 14 ? -1.747 0.676 -4.157 1.00 97.67 14 A 1 ATOM 105 C CA . LEU A 1 14 ? -0.862 1.249 -5.168 1.00 97.68 14 A 1 ATOM 106 C C . LEU A 1 14 ? -0.387 0.180 -6.144 1.00 98.01 14 A 1 ATOM 107 O O . LEU A 1 14 ? -0.361 0.408 -7.355 1.00 97.94 14 A 1 ATOM 108 C CB . LEU A 1 14 ? 0.343 1.918 -4.500 1.00 97.37 14 A 1 ATOM 109 C CG . LEU A 1 14 ? 0.036 3.254 -3.817 1.00 93.73 14 A 1 ATOM 110 C CD1 . LEU A 1 14 ? 1.260 3.738 -3.046 1.00 91.32 14 A 1 ATOM 111 C CD2 . LEU A 1 14 ? -0.384 4.308 -4.836 1.00 92.24 14 A 1 ATOM 112 N N . ILE A 1 15 ? -0.014 -0.996 -5.627 1.00 97.77 15 A 1 ATOM 113 C CA . ILE A 1 15 ? 0.454 -2.100 -6.466 1.00 97.72 15 A 1 ATOM 114 C C . ILE A 1 15 ? -0.653 -2.542 -7.421 1.00 97.91 15 A 1 ATOM 115 O O . ILE A 1 15 ? -0.410 -2.741 -8.616 1.00 97.55 15 A 1 ATOM 116 C CB . ILE A 1 15 ? 0.939 -3.279 -5.596 1.00 97.39 15 A 1 ATOM 117 C CG1 . ILE A 1 15 ? 2.215 -2.886 -4.831 1.00 96.08 15 A 1 ATOM 118 C CG2 . ILE A 1 15 ? 1.210 -4.516 -6.463 1.00 95.50 15 A 1 ATOM 119 C CD1 . ILE A 1 15 ? 2.549 -3.830 -3.687 1.00 93.64 15 A 1 ATOM 120 N N . VAL A 1 16 ? -1.867 -2.677 -6.915 1.00 98.20 16 A 1 ATOM 121 C CA . VAL A 1 16 ? -3.007 -3.077 -7.743 1.00 97.86 16 A 1 ATOM 122 C C . VAL A 1 16 ? -3.286 -2.020 -8.812 1.00 97.97 16 A 1 ATOM 123 O O . VAL A 1 16 ? -3.535 -2.353 -9.977 1.00 97.47 16 A 1 ATOM 124 C CB . VAL A 1 16 ? -4.260 -3.315 -6.875 1.00 97.17 16 A 1 ATOM 125 C CG1 . VAL A 1 16 ? -5.493 -3.581 -7.735 1.00 94.22 16 A 1 ATOM 126 C CG2 . VAL A 1 16 ? -4.034 -4.503 -5.944 1.00 94.77 16 A 1 ATOM 127 N N . THR A 1 17 ? -3.222 -0.749 -8.434 1.00 98.13 17 A 1 ATOM 128 C CA . THR A 1 17 ? -3.462 0.350 -9.368 1.00 98.11 17 A 1 ATOM 129 C C . THR A 1 17 ? -2.392 0.383 -10.462 1.00 98.21 17 A 1 ATOM 130 O O . THR A 1 17 ? -2.710 0.540 -11.644 1.00 97.56 17 A 1 ATOM 131 C CB . THR A 1 17 ? -3.491 1.692 -8.622 1.00 97.68 17 A 1 ATOM 132 O OG1 . THR A 1 17 ? -4.502 1.669 -7.617 1.00 93.01 17 A 1 ATOM 133 C CG2 . THR A 1 17 ? -3.802 2.836 -9.584 1.00 91.57 17 A 1 ATOM 134 N N . LEU A 1 18 ? -1.123 0.219 -10.078 1.00 98.13 18 A 1 ATOM 135 C CA . LEU A 1 18 ? -0.016 0.214 -11.034 1.00 97.95 18 A 1 ATOM 136 C C . LEU A 1 18 ? -0.110 -0.979 -11.978 1.00 97.98 18 A 1 ATOM 137 O O . LEU A 1 18 ? 0.176 -0.857 -13.172 1.00 97.59 18 A 1 ATOM 138 C CB . LEU A 1 18 ? 1.322 0.190 -10.286 1.00 97.58 18 A 1 ATOM 139 C CG . LEU A 1 18 ? 1.675 1.509 -9.592 1.00 94.85 18 A 1 ATOM 140 C CD1 . LEU A 1 18 ? 2.846 1.310 -8.635 1.00 91.46 18 A 1 ATOM 141 C CD2 . LEU A 1 18 ? 2.023 2.577 -10.619 1.00 91.48 18 A 1 ATOM 142 N N . CYS A 1 19 ? -0.514 -2.133 -11.456 1.00 97.45 19 A 1 ATOM 143 C CA . CYS A 1 19 ? -0.660 -3.341 -12.264 1.00 97.13 19 A 1 ATOM 144 C C . CYS A 1 19 ? -1.826 -3.209 -13.246 1.00 97.11 19 A 1 ATOM 145 O O . CYS A 1 19 ? -1.792 -3.765 -14.344 1.00 95.95 19 A 1 ATOM 146 C CB . CYS A 1 19 ? -0.863 -4.554 -11.350 1.00 95.98 19 A 1 ATOM 147 S SG . CYS A 1 19 ? -0.815 -6.108 -12.252 1.00 91.22 19 A 1 ATOM 148 N N . SER A 1 20 ? -2.848 -2.472 -12.853 1.00 96.88 20 A 1 ATOM 149 C CA . SER A 1 20 ? -4.030 -2.264 -13.688 1.00 96.42 20 A 1 ATOM 150 C C . SER A 1 20 ? -3.825 -1.138 -14.703 1.00 95.58 20 A 1 ATOM 151 O O . SER A 1 20 ? -4.534 -1.075 -15.712 1.00 92.07 20 A 1 ATOM 152 C CB . SER A 1 20 ? -5.239 -1.951 -12.804 1.00 94.85 20 A 1 ATOM 153 O OG . SER A 1 20 ? -6.417 -1.842 -13.579 1.00 85.63 20 A 1 ATOM 154 N N . ALA A 1 21 ? -2.867 -0.251 -14.431 1.00 94.82 21 A 1 ATOM 155 C CA . ALA A 1 21 ? -2.590 0.901 -15.291 1.00 92.72 21 A 1 ATOM 156 C C . ALA A 1 21 ? -1.771 0.480 -16.515 1.00 89.23 21 A 1 ATOM 157 O O . ALA A 1 21 ? -2.085 0.934 -17.631 1.00 83.58 21 A 1 ATOM 158 C CB . ALA A 1 21 ? -1.862 1.987 -14.499 1.00 88.37 21 A 1 ATOM 159 O OXT . ALA A 1 21 ? -0.813 -0.279 -16.353 1.00 76.71 21 A 1 #