# 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_spkb13807 # _entry.id spkb13807 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "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 SER 3 1 n SER 4 1 n THR 5 1 n ALA 6 1 n LEU 7 1 n MET 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 SER 16 1 n PRO 17 1 n LEU 18 1 n CYS 19 1 n MET 20 1 n GLY 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 @ 2025-07-07 08:39:56)" _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 85.29 _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 72.09 1 1 A ASN 2 2 76.93 1 2 A SER 3 2 86.95 1 3 A SER 4 2 88.80 1 4 A THR 5 2 87.39 1 5 A ALA 6 2 90.43 1 6 A LEU 7 2 89.20 1 7 A MET 8 2 85.53 1 8 A CYS 9 2 87.58 1 9 A PHE 10 2 88.98 1 10 A ALA 11 2 92.10 1 11 A LEU 12 2 90.43 1 12 A LEU 13 2 91.01 1 13 A LEU 14 2 91.92 1 14 A ILE 15 2 90.78 1 15 A SER 16 2 90.13 1 16 A PRO 17 2 89.92 1 17 A LEU 18 2 80.26 1 18 A CYS 19 2 81.46 1 19 A MET 20 2 73.53 1 20 A GLY 21 2 63.49 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 SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n MET . 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 SER . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n CYS . 19 A 19 A 20 1 n MET . 20 A 20 A 21 1 n GLY . 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 ? -6.398 8.178 11.787 1.00 76.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.951 7.879 10.411 1.00 78.82 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.328 9.132 9.799 1.00 81.50 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.044 10.072 9.453 1.00 76.51 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.146 7.408 9.578 1.00 73.49 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.812 6.211 8.714 1.00 70.10 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.292 5.471 8.006 1.00 62.42 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.563 4.184 7.014 1.00 57.19 1 A 1 ATOM 9 N N . ASN A 1 2 ? -4.029 9.160 9.714 1.00 78.00 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -3.319 10.320 9.175 1.00 82.70 2 A 1 ATOM 11 C C . ASN A 1 2 ? -3.001 10.122 7.695 1.00 84.88 2 A 1 ATOM 12 O O . ASN A 1 2 ? -2.877 8.992 7.225 1.00 80.50 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -2.036 10.552 9.977 1.00 77.71 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -2.256 11.492 11.145 1.00 73.06 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -3.343 11.985 11.387 1.00 69.09 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -1.196 11.758 11.883 1.00 69.51 2 A 1 ATOM 17 N N . SER A 1 3 ? -2.850 11.229 6.985 1.00 88.45 3 A 1 ATOM 18 C CA . SER A 1 3 ? -2.518 11.196 5.559 1.00 90.28 3 A 1 ATOM 19 C C . SER A 1 3 ? -1.141 10.571 5.322 1.00 90.93 3 A 1 ATOM 20 O O . SER A 1 3 ? -0.907 9.959 4.285 1.00 87.93 3 A 1 ATOM 21 C CB . SER A 1 3 ? -2.553 12.612 4.987 1.00 87.37 3 A 1 ATOM 22 O OG . SER A 1 3 ? -3.839 13.178 5.145 1.00 76.74 3 A 1 ATOM 23 N N . SER A 1 4 ? -0.252 10.711 6.291 1.00 90.06 4 A 1 ATOM 24 C CA . SER A 1 4 ? 1.100 10.153 6.194 1.00 91.51 4 A 1 ATOM 25 C C . SER A 1 4 ? 1.063 8.634 6.059 1.00 92.28 4 A 1 ATOM 26 O O . SER A 1 4 ? 1.821 8.056 5.285 1.00 90.10 4 A 1 ATOM 27 C CB . SER A 1 4 ? 1.908 10.544 7.426 1.00 88.95 4 A 1 ATOM 28 O OG . SER A 1 4 ? 2.031 11.948 7.501 1.00 79.88 4 A 1 ATOM 29 N N . THR A 1 5 ? 0.161 7.988 6.784 1.00 89.32 5 A 1 ATOM 30 C CA . THR A 1 5 ? 0.019 6.529 6.732 1.00 89.82 5 A 1 ATOM 31 C C . THR A 1 5 ? -0.487 6.094 5.361 1.00 90.32 5 A 1 ATOM 32 O O . THR A 1 5 ? -0.021 5.098 4.810 1.00 88.93 5 A 1 ATOM 33 C CB . THR A 1 5 ? -0.951 6.050 7.817 1.00 88.78 5 A 1 ATOM 34 O OG1 . THR A 1 5 ? -0.665 6.702 9.044 1.00 82.61 5 A 1 ATOM 35 C CG2 . THR A 1 5 ? -0.828 4.552 8.031 1.00 81.92 5 A 1 ATOM 36 N N . ALA A 1 6 ? -1.437 6.843 4.808 1.00 90.27 6 A 1 ATOM 37 C CA . ALA A 1 6 ? -1.992 6.541 3.488 1.00 90.62 6 A 1 ATOM 38 C C . ALA A 1 6 ? -0.929 6.716 2.400 1.00 91.53 6 A 1 ATOM 39 O O . ALA A 1 6 ? -0.820 5.888 1.501 1.00 90.15 6 A 1 ATOM 40 C CB . ALA A 1 6 ? -3.194 7.445 3.222 1.00 89.58 6 A 1 ATOM 41 N N . LEU A 1 7 ? -0.146 7.784 2.499 1.00 91.41 7 A 1 ATOM 42 C CA . LEU A 1 7 ? 0.915 8.058 1.524 1.00 91.71 7 A 1 ATOM 43 C C . LEU A 1 7 ? 1.998 6.983 1.578 1.00 92.37 7 A 1 ATOM 44 O O . LEU A 1 7 ? 2.491 6.548 0.537 1.00 91.80 7 A 1 ATOM 45 C CB . LEU A 1 7 ? 1.517 9.437 1.805 1.00 91.35 7 A 1 ATOM 46 C CG . LEU A 1 7 ? 0.651 10.594 1.313 1.00 86.82 7 A 1 ATOM 47 C CD1 . LEU A 1 7 ? 1.043 11.882 2.018 1.00 83.92 7 A 1 ATOM 48 C CD2 . LEU A 1 7 ? 0.803 10.766 -0.195 1.00 84.21 7 A 1 ATOM 49 N N . MET A 1 8 ? 2.341 6.549 2.775 1.00 89.77 8 A 1 ATOM 50 C CA . MET A 1 8 ? 3.360 5.512 2.959 1.00 89.43 8 A 1 ATOM 51 C C . MET A 1 8 ? 2.906 4.194 2.336 1.00 90.50 8 A 1 ATOM 52 O O . MET A 1 8 ? 3.661 3.553 1.609 1.00 89.33 8 A 1 ATOM 53 C CB . MET A 1 8 ? 3.644 5.332 4.450 1.00 88.71 8 A 1 ATOM 54 C CG . MET A 1 8 ? 4.620 6.376 4.967 1.00 84.63 8 A 1 ATOM 55 S SD . MET A 1 8 ? 6.336 5.848 4.841 1.00 79.84 8 A 1 ATOM 56 C CE . MET A 1 8 ? 6.501 4.965 6.394 1.00 72.07 8 A 1 ATOM 57 N N . CYS A 1 9 ? 1.663 3.810 2.600 1.00 88.11 9 A 1 ATOM 58 C CA . CYS A 1 9 ? 1.135 2.555 2.066 1.00 88.61 9 A 1 ATOM 59 C C . CYS A 1 9 ? 0.904 2.652 0.558 1.00 89.58 9 A 1 ATOM 60 O O . CYS A 1 9 ? 1.102 1.680 -0.164 1.00 88.07 9 A 1 ATOM 61 C CB . CYS A 1 9 ? -0.155 2.181 2.798 1.00 86.84 9 A 1 ATOM 62 S SG . CYS A 1 9 ? -0.168 0.481 3.409 1.00 84.24 9 A 1 ATOM 63 N N . PHE A 1 10 ? 0.497 3.828 0.089 1.00 89.88 10 A 1 ATOM 64 C CA . PHE A 1 10 ? 0.272 4.042 -1.344 1.00 90.23 10 A 1 ATOM 65 C C . PHE A 1 10 ? 1.567 3.833 -2.125 1.00 91.88 10 A 1 ATOM 66 O O . PHE A 1 10 ? 1.570 3.171 -3.165 1.00 92.01 10 A 1 ATOM 67 C CB . PHE A 1 10 ? -0.266 5.455 -1.569 1.00 90.16 10 A 1 ATOM 68 C CG . PHE A 1 10 ? -0.977 5.590 -2.893 1.00 89.26 10 A 1 ATOM 69 C CD1 . PHE A 1 10 ? -0.280 5.996 -4.033 1.00 87.15 10 A 1 ATOM 70 C CD2 . PHE A 1 10 ? -2.336 5.304 -2.987 1.00 87.32 10 A 1 ATOM 71 C CE1 . PHE A 1 10 ? -0.935 6.112 -5.256 1.00 86.99 10 A 1 ATOM 72 C CE2 . PHE A 1 10 ? -2.993 5.421 -4.213 1.00 86.54 10 A 1 ATOM 73 C CZ . PHE A 1 10 ? -2.292 5.820 -5.347 1.00 87.37 10 A 1 ATOM 74 N N . ALA A 1 11 ? 2.650 4.385 -1.612 1.00 91.64 11 A 1 ATOM 75 C CA . ALA A 1 11 ? 3.954 4.232 -2.262 1.00 92.07 11 A 1 ATOM 76 C C . ALA A 1 11 ? 4.469 2.798 -2.129 1.00 93.24 11 A 1 ATOM 77 O O . ALA A 1 11 ? 5.028 2.244 -3.076 1.00 92.26 11 A 1 ATOM 78 C CB . ALA A 1 11 ? 4.939 5.226 -1.651 1.00 91.30 11 A 1 ATOM 79 N N . LEU A 1 12 ? 4.259 2.192 -0.967 1.00 92.51 12 A 1 ATOM 80 C CA . LEU A 1 12 ? 4.708 0.825 -0.712 1.00 92.36 12 A 1 ATOM 81 C C . LEU A 1 12 ? 3.844 -0.199 -1.442 1.00 93.27 12 A 1 ATOM 82 O O . LEU A 1 12 ? 4.329 -1.269 -1.795 1.00 92.34 12 A 1 ATOM 83 C CB . LEU A 1 12 ? 4.692 0.553 0.794 1.00 91.32 12 A 1 ATOM 84 C CG . LEU A 1 12 ? 5.841 1.223 1.553 1.00 88.46 12 A 1 ATOM 85 C CD1 . LEU A 1 12 ? 5.551 1.231 3.050 1.00 86.52 12 A 1 ATOM 86 C CD2 . LEU A 1 12 ? 7.154 0.484 1.299 1.00 86.69 12 A 1 ATOM 87 N N . LEU A 1 13 ? 2.578 0.119 -1.677 1.00 93.20 13 A 1 ATOM 88 C CA . LEU A 1 13 ? 1.654 -0.782 -2.371 1.00 93.03 13 A 1 ATOM 89 C C . LEU A 1 13 ? 2.176 -1.130 -3.764 1.00 94.03 13 A 1 ATOM 90 O O . LEU A 1 13 ? 2.037 -2.265 -4.219 1.00 93.65 13 A 1 ATOM 91 C CB . LEU A 1 13 ? 0.274 -0.120 -2.480 1.00 92.28 13 A 1 ATOM 92 C CG . LEU A 1 13 ? -0.846 -1.103 -2.845 1.00 88.56 13 A 1 ATOM 93 C CD1 . LEU A 1 13 ? -1.485 -1.680 -1.579 1.00 86.34 13 A 1 ATOM 94 C CD2 . LEU A 1 13 ? -1.910 -0.407 -3.675 1.00 86.97 13 A 1 ATOM 95 N N . LEU A 1 14 ? 2.795 -0.161 -4.434 1.00 92.77 14 A 1 ATOM 96 C CA . LEU A 1 14 ? 3.344 -0.371 -5.776 1.00 93.04 14 A 1 ATOM 97 C C . LEU A 1 14 ? 4.540 -1.321 -5.737 1.00 93.65 14 A 1 ATOM 98 O O . LEU A 1 14 ? 4.760 -2.080 -6.683 1.00 93.46 14 A 1 ATOM 99 C CB . LEU A 1 14 ? 3.754 0.978 -6.375 1.00 92.69 14 A 1 ATOM 100 C CG . LEU A 1 14 ? 2.578 1.912 -6.662 1.00 91.43 14 A 1 ATOM 101 C CD1 . LEU A 1 14 ? 3.079 3.332 -6.883 1.00 89.14 14 A 1 ATOM 102 C CD2 . LEU A 1 14 ? 1.804 1.444 -7.894 1.00 89.21 14 A 1 ATOM 103 N N . ILE A 1 15 ? 5.297 -1.282 -4.648 1.00 93.34 15 A 1 ATOM 104 C CA . ILE A 1 15 ? 6.476 -2.133 -4.482 1.00 92.44 15 A 1 ATOM 105 C C . ILE A 1 15 ? 6.119 -3.407 -3.718 1.00 92.41 15 A 1 ATOM 106 O O . ILE A 1 15 ? 6.607 -4.491 -4.040 1.00 90.98 15 A 1 ATOM 107 C CB . ILE A 1 15 ? 7.591 -1.360 -3.749 1.00 91.51 15 A 1 ATOM 108 C CG1 . ILE A 1 15 ? 7.854 0.011 -4.400 1.00 89.71 15 A 1 ATOM 109 C CG2 . ILE A 1 15 ? 8.878 -2.198 -3.748 1.00 88.62 15 A 1 ATOM 110 C CD1 . ILE A 1 15 ? 8.621 0.954 -3.491 1.00 87.26 15 A 1 ATOM 111 N N . SER A 1 16 ? 5.261 -3.270 -2.723 1.00 92.39 16 A 1 ATOM 112 C CA . SER A 1 16 ? 4.876 -4.389 -1.869 1.00 91.60 16 A 1 ATOM 113 C C . SER A 1 16 ? 3.396 -4.299 -1.501 1.00 91.59 16 A 1 ATOM 114 O O . SER A 1 16 ? 3.010 -3.440 -0.708 1.00 91.12 16 A 1 ATOM 115 C CB . SER A 1 16 ? 5.735 -4.390 -0.607 1.00 90.34 16 A 1 ATOM 116 O OG . SER A 1 16 ? 5.528 -5.575 0.127 1.00 83.76 16 A 1 ATOM 117 N N . PRO A 1 17 ? 2.555 -5.175 -2.058 1.00 91.41 17 A 1 ATOM 118 C CA . PRO A 1 17 ? 1.118 -5.170 -1.763 1.00 90.97 17 A 1 ATOM 119 C C . PRO A 1 17 ? 0.797 -5.615 -0.339 1.00 91.19 17 A 1 ATOM 120 O O . PRO A 1 17 ? -0.349 -5.524 0.096 1.00 88.85 17 A 1 ATOM 121 C CB . PRO A 1 17 ? 0.536 -6.149 -2.790 1.00 88.90 17 A 1 ATOM 122 C CG . PRO A 1 17 ? 1.668 -7.067 -3.116 1.00 87.45 17 A 1 ATOM 123 C CD . PRO A 1 17 ? 2.922 -6.233 -2.991 1.00 90.65 17 A 1 ATOM 124 N N . LEU A 1 18 ? 1.796 -6.065 0.391 1.00 84.76 18 A 1 ATOM 125 C CA . LEU A 1 18 ? 1.608 -6.514 1.775 1.00 83.89 18 A 1 ATOM 126 C C . LEU A 1 18 ? 1.235 -5.365 2.704 1.00 84.95 18 A 1 ATOM 127 O O . LEU A 1 18 ? 0.739 -5.604 3.803 1.00 83.61 18 A 1 ATOM 128 C CB . LEU A 1 18 ? 2.890 -7.185 2.272 1.00 82.33 18 A 1 ATOM 129 C CG . LEU A 1 18 ? 3.154 -8.537 1.620 1.00 77.56 18 A 1 ATOM 130 C CD1 . LEU A 1 18 ? 4.598 -8.952 1.844 1.00 73.65 18 A 1 ATOM 131 C CD2 . LEU A 1 18 ? 2.223 -9.597 2.202 1.00 71.35 18 A 1 ATOM 132 N N . CYS A 1 19 ? 1.456 -4.137 2.265 1.00 82.38 19 A 1 ATOM 133 C CA . CYS A 1 19 ? 1.104 -2.964 3.076 1.00 82.58 19 A 1 ATOM 134 C C . CYS A 1 19 ? -0.398 -2.908 3.350 1.00 83.95 19 A 1 ATOM 135 O O . CYS A 1 19 ? -0.826 -2.399 4.382 1.00 81.99 19 A 1 ATOM 136 C CB . CYS A 1 19 ? 1.547 -1.683 2.366 1.00 81.38 19 A 1 ATOM 137 S SG . CYS A 1 19 ? 1.494 -0.241 3.452 1.00 76.48 19 A 1 ATOM 138 N N . MET A 1 20 ? -1.194 -3.439 2.425 1.00 79.14 20 A 1 ATOM 139 C CA . MET A 1 20 ? -2.653 -3.442 2.573 1.00 78.04 20 A 1 ATOM 140 C C . MET A 1 20 ? -3.095 -4.352 3.726 1.00 78.45 20 A 1 ATOM 141 O O . MET A 1 20 ? -4.136 -4.117 4.336 1.00 77.06 20 A 1 ATOM 142 C CB . MET A 1 20 ? -3.302 -3.881 1.259 1.00 75.50 20 A 1 ATOM 143 C CG . MET A 1 20 ? -4.757 -3.466 1.193 1.00 73.22 20 A 1 ATOM 144 S SD . MET A 1 20 ? -5.483 -3.760 -0.421 1.00 67.11 20 A 1 ATOM 145 C CE . MET A 1 20 ? -7.184 -3.305 -0.084 1.00 59.76 20 A 1 ATOM 146 N N . GLY A 1 21 ? -2.310 -5.357 4.030 1.00 70.52 21 A 1 ATOM 147 C CA . GLY A 1 21 ? -2.596 -6.282 5.126 1.00 67.07 21 A 1 ATOM 148 C C . GLY A 1 21 ? -2.669 -7.706 4.630 1.00 62.72 21 A 1 ATOM 149 O O . GLY A 1 21 ? -3.729 -8.114 4.156 1.00 57.36 21 A 1 ATOM 150 O OXT . GLY A 1 21 ? -1.630 -8.409 4.714 1.00 59.78 21 A 1 #