# 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_spkb21653 # _entry.id spkb21653 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 GLY 3 1 n GLY 4 1 n CYS 5 1 n ILE 6 1 n SER 7 1 n GLN 8 1 n GLY 9 1 n LYS 10 1 n ALA 11 1 n ALA 12 1 n ALA 13 1 n GLY 14 1 n LEU 15 1 n LEU 16 1 n PHE 17 1 n CYS 18 1 n VAL 19 1 n MET 20 1 n VAL 21 1 n PHE 22 1 n ALA 23 1 n SER 24 1 n ALA 25 # _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 @ 2025-07-06 04:39:38)" _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 81.69 _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 64.53 1 1 A ARG 2 2 67.66 1 2 A GLY 3 2 78.32 1 3 A GLY 4 2 79.85 1 4 A CYS 5 2 71.78 1 5 A ILE 6 2 75.09 1 6 A SER 7 2 81.67 1 7 A GLN 8 2 80.85 1 8 A GLY 9 2 86.53 1 9 A LYS 10 2 82.72 1 10 A ALA 11 2 89.11 1 11 A ALA 12 2 90.19 1 12 A ALA 13 2 90.74 1 13 A GLY 14 2 88.30 1 14 A LEU 15 2 86.82 1 15 A LEU 16 2 86.16 1 16 A PHE 17 2 84.76 1 17 A CYS 18 2 84.04 1 18 A VAL 19 2 86.93 1 19 A MET 20 2 83.93 1 20 A VAL 21 2 86.42 1 21 A PHE 22 2 83.63 1 22 A ALA 23 2 91.35 1 23 A SER 24 2 82.91 1 24 A ALA 25 2 75.49 1 25 # _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 GLY . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n GLN . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n MET . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n PHE . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -9.047 9.694 4.917 1.00 67.22 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.897 9.882 5.817 1.00 69.79 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.697 9.072 5.350 1.00 72.01 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.568 9.537 5.399 1.00 66.21 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.265 9.457 7.245 1.00 65.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.654 10.653 8.088 1.00 64.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.846 10.226 9.804 1.00 58.02 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.796 11.851 10.522 1.00 53.05 1 A 1 ATOM 9 N N . ARG A 1 2 ? -6.948 7.861 4.908 1.00 74.93 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -5.873 7.004 4.414 1.00 77.36 2 A 1 ATOM 11 C C . ARG A 1 2 ? -5.704 7.156 2.906 1.00 77.74 2 A 1 ATOM 12 O O . ARG A 1 2 ? -6.444 7.897 2.265 1.00 72.91 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -6.173 5.548 4.757 1.00 73.24 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -5.674 5.163 6.124 1.00 68.11 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -6.801 5.234 7.132 1.00 66.00 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -7.797 4.207 6.830 1.00 62.57 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -7.707 2.962 7.241 1.00 59.75 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -6.745 2.578 8.054 1.00 55.95 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -8.607 2.094 6.831 1.00 55.70 2 A 1 ATOM 20 N N . GLY A 1 3 ? -4.751 6.472 2.347 1.00 77.93 3 A 1 ATOM 21 C CA . GLY A 1 3 ? -4.498 6.551 0.910 1.00 78.56 3 A 1 ATOM 22 C C . GLY A 1 3 ? -3.063 6.944 0.623 1.00 80.72 3 A 1 ATOM 23 O O . GLY A 1 3 ? -2.472 6.513 -0.361 1.00 76.08 3 A 1 ATOM 24 N N . GLY A 1 4 ? -2.505 7.756 1.505 1.00 78.68 4 A 1 ATOM 25 C CA . GLY A 1 4 ? -1.127 8.196 1.335 1.00 79.73 4 A 1 ATOM 26 C C . GLY A 1 4 ? -0.140 7.156 1.848 1.00 82.31 4 A 1 ATOM 27 O O . GLY A 1 4 ? -0.078 6.891 3.037 1.00 78.68 4 A 1 ATOM 28 N N . CYS A 1 5 ? 0.614 6.569 0.937 1.00 72.93 5 A 1 ATOM 29 C CA . CYS A 1 5 ? 1.606 5.562 1.317 1.00 73.97 5 A 1 ATOM 30 C C . CYS A 1 5 ? 2.764 6.191 2.076 1.00 77.34 5 A 1 ATOM 31 O O . CYS A 1 5 ? 3.234 5.658 3.068 1.00 72.99 5 A 1 ATOM 32 C CB . CYS A 1 5 ? 2.114 4.859 0.061 1.00 69.65 5 A 1 ATOM 33 S SG . CYS A 1 5 ? 0.751 4.187 -0.934 1.00 63.78 5 A 1 ATOM 34 N N . ILE A 1 6 ? 3.207 7.328 1.605 1.00 75.29 6 A 1 ATOM 35 C CA . ILE A 1 6 ? 4.317 8.027 2.254 1.00 77.82 6 A 1 ATOM 36 C C . ILE A 1 6 ? 3.845 8.762 3.506 1.00 80.70 6 A 1 ATOM 37 O O . ILE A 1 6 ? 4.644 9.135 4.360 1.00 77.43 6 A 1 ATOM 38 C CB . ILE A 1 6 ? 4.958 9.029 1.290 1.00 77.17 6 A 1 ATOM 39 C CG1 . ILE A 1 6 ? 4.947 8.496 -0.140 1.00 74.12 6 A 1 ATOM 40 C CG2 . ILE A 1 6 ? 6.397 9.310 1.714 1.00 72.05 6 A 1 ATOM 41 C CD1 . ILE A 1 6 ? 5.271 9.585 -1.145 1.00 66.10 6 A 1 ATOM 42 N N . SER A 1 7 ? 2.535 8.964 3.611 1.00 82.92 7 A 1 ATOM 43 C CA . SER A 1 7 ? 1.955 9.675 4.756 1.00 84.02 7 A 1 ATOM 44 C C . SER A 1 7 ? 2.157 8.890 6.052 1.00 86.03 7 A 1 ATOM 45 O O . SER A 1 7 ? 2.268 9.469 7.129 1.00 83.65 7 A 1 ATOM 46 C CB . SER A 1 7 ? 0.460 9.897 4.529 1.00 81.37 7 A 1 ATOM 47 O OG . SER A 1 7 ? -0.050 10.808 5.477 1.00 72.04 7 A 1 ATOM 48 N N . GLN A 1 8 ? 2.187 7.567 5.934 1.00 87.49 8 A 1 ATOM 49 C CA . GLN A 1 8 ? 2.375 6.704 7.106 1.00 88.29 8 A 1 ATOM 50 C C . GLN A 1 8 ? 3.718 6.983 7.780 1.00 89.63 8 A 1 ATOM 51 O O . GLN A 1 8 ? 3.810 7.045 9.001 1.00 86.32 8 A 1 ATOM 52 C CB . GLN A 1 8 ? 2.305 5.237 6.680 1.00 86.93 8 A 1 ATOM 53 C CG . GLN A 1 8 ? 0.904 4.845 6.263 1.00 77.71 8 A 1 ATOM 54 C CD . GLN A 1 8 ? 0.007 4.589 7.459 1.00 73.86 8 A 1 ATOM 55 O OE1 . GLN A 1 8 ? 0.215 3.643 8.199 1.00 70.09 8 A 1 ATOM 56 N NE2 . GLN A 1 8 ? -0.990 5.428 7.664 1.00 67.31 8 A 1 ATOM 57 N N . GLY A 1 9 ? 4.730 7.153 6.990 1.00 84.93 9 A 1 ATOM 58 C CA . GLY A 1 9 ? 6.055 7.416 7.525 1.00 85.70 9 A 1 ATOM 59 C C . GLY A 1 9 ? 7.099 6.561 6.832 1.00 88.62 9 A 1 ATOM 60 O O . GLY A 1 9 ? 6.815 5.447 6.406 1.00 86.85 9 A 1 ATOM 61 N N . LYS A 1 10 ? 8.301 7.088 6.722 1.00 88.06 10 A 1 ATOM 62 C CA . LYS A 1 10 ? 9.401 6.366 6.066 1.00 89.30 10 A 1 ATOM 63 C C . LYS A 1 10 ? 9.073 6.079 4.601 1.00 89.96 10 A 1 ATOM 64 O O . LYS A 1 10 ? 7.972 5.654 4.275 1.00 88.61 10 A 1 ATOM 65 C CB . LYS A 1 10 ? 9.679 5.058 6.802 1.00 88.76 10 A 1 ATOM 66 C CG . LYS A 1 10 ? 10.217 5.283 8.208 1.00 81.80 10 A 1 ATOM 67 C CD . LYS A 1 10 ? 10.653 3.975 8.820 1.00 78.78 10 A 1 ATOM 68 C CE . LYS A 1 10 ? 10.987 4.141 10.297 1.00 73.56 10 A 1 ATOM 69 N NZ . LYS A 1 10 ? 12.282 4.837 10.489 1.00 65.65 10 A 1 ATOM 70 N N . ALA A 1 11 ? 10.028 6.304 3.732 1.00 87.93 11 A 1 ATOM 71 C CA . ALA A 1 11 ? 9.825 6.082 2.301 1.00 89.31 11 A 1 ATOM 72 C C . ALA A 1 11 ? 9.748 4.591 1.974 1.00 91.41 11 A 1 ATOM 73 O O . ALA A 1 11 ? 8.955 4.170 1.140 1.00 89.18 11 A 1 ATOM 74 C CB . ALA A 1 11 ? 10.965 6.728 1.524 1.00 87.72 11 A 1 ATOM 75 N N . ALA A 1 12 ? 10.584 3.797 2.620 1.00 88.71 12 A 1 ATOM 76 C CA . ALA A 1 12 ? 10.615 2.355 2.382 1.00 90.61 12 A 1 ATOM 77 C C . ALA A 1 12 ? 9.348 1.677 2.890 1.00 92.25 12 A 1 ATOM 78 O O . ALA A 1 12 ? 8.752 0.856 2.200 1.00 90.02 12 A 1 ATOM 79 C CB . ALA A 1 12 ? 11.836 1.750 3.062 1.00 89.34 12 A 1 ATOM 80 N N . ALA A 1 13 ? 8.939 2.009 4.098 1.00 90.58 13 A 1 ATOM 81 C CA . ALA A 1 13 ? 7.738 1.422 4.696 1.00 91.13 13 A 1 ATOM 82 C C . ALA A 1 13 ? 6.488 1.813 3.917 1.00 92.55 13 A 1 ATOM 83 O O . ALA A 1 13 ? 5.542 1.036 3.811 1.00 89.78 13 A 1 ATOM 84 C CB . ALA A 1 13 ? 7.611 1.878 6.143 1.00 89.67 13 A 1 ATOM 85 N N . GLY A 1 14 ? 6.478 3.018 3.381 1.00 87.76 14 A 1 ATOM 86 C CA . GLY A 1 14 ? 5.331 3.497 2.609 1.00 87.60 14 A 1 ATOM 87 C C . GLY A 1 14 ? 5.080 2.649 1.379 1.00 89.88 14 A 1 ATOM 88 O O . GLY A 1 14 ? 3.940 2.461 0.965 1.00 87.96 14 A 1 ATOM 89 N N . LEU A 1 15 ? 6.140 2.132 0.797 1.00 87.60 15 A 1 ATOM 90 C CA . LEU A 1 15 ? 6.025 1.298 -0.404 1.00 89.69 15 A 1 ATOM 91 C C . LEU A 1 15 ? 5.297 -0.004 -0.087 1.00 92.13 15 A 1 ATOM 92 O O . LEU A 1 15 ? 4.484 -0.478 -0.876 1.00 90.56 15 A 1 ATOM 93 C CB . LEU A 1 15 ? 7.418 1.000 -0.957 1.00 89.26 15 A 1 ATOM 94 C CG . LEU A 1 15 ? 7.424 0.807 -2.463 1.00 83.71 15 A 1 ATOM 95 C CD1 . LEU A 1 15 ? 8.477 1.697 -3.104 1.00 80.57 15 A 1 ATOM 96 C CD2 . LEU A 1 15 ? 7.692 -0.648 -2.803 1.00 81.05 15 A 1 ATOM 97 N N . LEU A 1 16 ? 5.583 -0.575 1.064 1.00 85.57 16 A 1 ATOM 98 C CA . LEU A 1 16 ? 4.937 -1.822 1.489 1.00 88.17 16 A 1 ATOM 99 C C . LEU A 1 16 ? 3.430 -1.631 1.621 1.00 90.74 16 A 1 ATOM 100 O O . LEU A 1 16 ? 2.644 -2.454 1.158 1.00 90.05 16 A 1 ATOM 101 C CB . LEU A 1 16 ? 5.515 -2.271 2.830 1.00 88.01 16 A 1 ATOM 102 C CG . LEU A 1 16 ? 4.967 -3.614 3.307 1.00 84.24 16 A 1 ATOM 103 C CD1 . LEU A 1 16 ? 5.537 -4.741 2.456 1.00 81.37 16 A 1 ATOM 104 C CD2 . LEU A 1 16 ? 5.325 -3.836 4.767 1.00 81.17 16 A 1 ATOM 105 N N . PHE A 1 17 ? 3.024 -0.554 2.261 1.00 85.20 17 A 1 ATOM 106 C CA . PHE A 1 17 ? 1.607 -0.256 2.454 1.00 86.09 17 A 1 ATOM 107 C C . PHE A 1 17 ? 0.939 0.037 1.117 1.00 88.39 17 A 1 ATOM 108 O O . PHE A 1 17 ? -0.219 -0.309 0.900 1.00 86.71 17 A 1 ATOM 109 C CB . PHE A 1 17 ? 1.471 0.945 3.386 1.00 86.02 17 A 1 ATOM 110 C CG . PHE A 1 17 ? 0.071 1.092 3.918 1.00 84.71 17 A 1 ATOM 111 C CD1 . PHE A 1 17 ? -0.863 1.867 3.246 1.00 83.45 17 A 1 ATOM 112 C CD2 . PHE A 1 17 ? -0.304 0.445 5.088 1.00 83.58 17 A 1 ATOM 113 C CE1 . PHE A 1 17 ? -2.158 1.998 3.732 1.00 82.63 17 A 1 ATOM 114 C CE2 . PHE A 1 17 ? -1.599 0.572 5.577 1.00 82.59 17 A 1 ATOM 115 C CZ . PHE A 1 17 ? -2.527 1.349 4.897 1.00 82.97 17 A 1 ATOM 116 N N . CYS A 1 18 ? 1.684 0.674 0.224 1.00 85.55 18 A 1 ATOM 117 C CA . CYS A 1 18 ? 1.160 1.002 -1.101 1.00 85.66 18 A 1 ATOM 118 C C . CYS A 1 18 ? 0.821 -0.268 -1.879 1.00 87.13 18 A 1 ATOM 119 O O . CYS A 1 18 ? -0.242 -0.377 -2.480 1.00 84.63 18 A 1 ATOM 120 C CB . CYS A 1 18 ? 2.194 1.829 -1.863 1.00 82.75 18 A 1 ATOM 121 S SG . CYS A 1 18 ? 1.513 3.390 -2.466 1.00 78.52 18 A 1 ATOM 122 N N . VAL A 1 19 ? 1.725 -1.229 -1.856 1.00 86.70 19 A 1 ATOM 123 C CA . VAL A 1 19 ? 1.517 -2.494 -2.565 1.00 88.20 19 A 1 ATOM 124 C C . VAL A 1 19 ? 0.353 -3.271 -1.955 1.00 89.46 19 A 1 ATOM 125 O O . VAL A 1 19 ? -0.442 -3.884 -2.665 1.00 88.94 19 A 1 ATOM 126 C CB . VAL A 1 19 ? 2.789 -3.354 -2.518 1.00 87.67 19 A 1 ATOM 127 C CG1 . VAL A 1 19 ? 2.554 -4.688 -3.207 1.00 83.51 19 A 1 ATOM 128 C CG2 . VAL A 1 19 ? 3.941 -2.615 -3.181 1.00 84.01 19 A 1 ATOM 129 N N . MET A 1 20 ? 0.268 -3.258 -0.638 1.00 87.69 20 A 1 ATOM 130 C CA . MET A 1 20 ? -0.807 -3.966 0.068 1.00 87.67 20 A 1 ATOM 131 C C . MET A 1 20 ? -2.178 -3.422 -0.328 1.00 89.02 20 A 1 ATOM 132 O O . MET A 1 20 ? -3.098 -4.180 -0.610 1.00 87.22 20 A 1 ATOM 133 C CB . MET A 1 20 ? -0.607 -3.815 1.577 1.00 86.64 20 A 1 ATOM 134 C CG . MET A 1 20 ? 0.085 -5.031 2.181 1.00 82.49 20 A 1 ATOM 135 S SD . MET A 1 20 ? -1.056 -5.976 3.165 1.00 79.52 20 A 1 ATOM 136 C CE . MET A 1 20 ? 0.064 -7.134 3.955 1.00 71.19 20 A 1 ATOM 137 N N . VAL A 1 21 ? -2.311 -2.119 -0.340 1.00 86.97 21 A 1 ATOM 138 C CA . VAL A 1 21 ? -3.577 -1.483 -0.702 1.00 87.73 21 A 1 ATOM 139 C C . VAL A 1 21 ? -3.879 -1.672 -2.186 1.00 88.99 21 A 1 ATOM 140 O O . VAL A 1 21 ? -5.015 -1.941 -2.572 1.00 88.70 21 A 1 ATOM 141 C CB . VAL A 1 21 ? -3.537 0.017 -0.369 1.00 85.94 21 A 1 ATOM 142 C CG1 . VAL A 1 21 ? -4.813 0.704 -0.822 1.00 82.85 21 A 1 ATOM 143 C CG2 . VAL A 1 21 ? -3.351 0.211 1.128 1.00 83.78 21 A 1 ATOM 144 N N . PHE A 1 22 ? -2.868 -1.537 -3.006 1.00 85.32 22 A 1 ATOM 145 C CA . PHE A 1 22 ? -3.032 -1.684 -4.452 1.00 86.29 22 A 1 ATOM 146 C C . PHE A 1 22 ? -3.441 -3.110 -4.811 1.00 88.45 22 A 1 ATOM 147 O O . PHE A 1 22 ? -4.273 -3.322 -5.688 1.00 88.27 22 A 1 ATOM 148 C CB . PHE A 1 22 ? -1.719 -1.330 -5.152 1.00 85.66 22 A 1 ATOM 149 C CG . PHE A 1 22 ? -1.928 -0.983 -6.601 1.00 82.82 22 A 1 ATOM 150 C CD1 . PHE A 1 22 ? -2.541 0.213 -6.956 1.00 81.39 22 A 1 ATOM 151 C CD2 . PHE A 1 22 ? -1.510 -1.853 -7.598 1.00 81.39 22 A 1 ATOM 152 C CE1 . PHE A 1 22 ? -2.734 0.532 -8.294 1.00 80.00 22 A 1 ATOM 153 C CE2 . PHE A 1 22 ? -1.703 -1.533 -8.941 1.00 80.21 22 A 1 ATOM 154 C CZ . PHE A 1 22 ? -2.316 -0.340 -9.285 1.00 80.12 22 A 1 ATOM 155 N N . ALA A 1 23 ? -2.864 -4.074 -4.142 1.00 91.71 23 A 1 ATOM 156 C CA . ALA A 1 23 ? -3.177 -5.479 -4.405 1.00 91.60 23 A 1 ATOM 157 C C . ALA A 1 23 ? -4.594 -5.818 -3.949 1.00 92.03 23 A 1 ATOM 158 O O . ALA A 1 23 ? -5.265 -6.653 -4.548 1.00 90.66 23 A 1 ATOM 159 C CB . ALA A 1 23 ? -2.174 -6.372 -3.685 1.00 90.77 23 A 1 ATOM 160 N N . SER A 1 24 ? -5.049 -5.187 -2.886 1.00 88.12 24 A 1 ATOM 161 C CA . SER A 1 24 ? -6.395 -5.421 -2.352 1.00 86.02 24 A 1 ATOM 162 C C . SER A 1 24 ? -7.458 -4.705 -3.177 1.00 84.34 24 A 1 ATOM 163 O O . SER A 1 24 ? -8.637 -5.048 -3.121 1.00 80.29 24 A 1 ATOM 164 C CB . SER A 1 24 ? -6.467 -4.940 -0.902 1.00 83.48 24 A 1 ATOM 165 O OG . SER A 1 24 ? -5.734 -5.794 -0.051 1.00 75.21 24 A 1 ATOM 166 N N . ALA A 1 25 ? -7.052 -3.703 -3.928 1.00 83.88 25 A 1 ATOM 167 C CA . ALA A 1 25 ? -7.986 -2.935 -4.743 1.00 81.13 25 A 1 ATOM 168 C C . ALA A 1 25 ? -8.455 -3.726 -5.963 1.00 76.65 25 A 1 ATOM 169 O O . ALA A 1 25 ? -7.873 -4.779 -6.264 1.00 72.52 25 A 1 ATOM 170 C CB . ALA A 1 25 ? -7.328 -1.628 -5.177 1.00 73.24 25 A 1 ATOM 171 O OXT . ALA A 1 25 ? -9.412 -3.291 -6.619 1.00 65.53 25 A 1 #