# 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_spkb32119 # _entry.id spkb32119 # 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" "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 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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 ALA 2 1 n GLY 3 1 n TRP 4 1 n PRO 5 1 n GLY 6 1 n ALA 7 1 n GLY 8 1 n PRO 9 1 n LEU 10 1 n CYS 11 1 n VAL 12 1 n LEU 13 1 n GLY 14 1 n GLY 15 1 n ALA 16 1 n ALA 17 1 n LEU 18 1 n GLY 19 1 n VAL 20 1 n CYS 21 1 n LEU 22 1 n ALA 23 1 n GLY 24 1 n VAL 25 1 n ALA 26 1 n GLY 27 # _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 @ 2025-07-12 06:46:11)" _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 77.45 _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 64.56 1 1 A ALA 2 2 67.42 1 2 A GLY 3 2 73.48 1 3 A TRP 4 2 70.87 1 4 A PRO 5 2 76.41 1 5 A GLY 6 2 75.31 1 6 A ALA 7 2 74.93 1 7 A GLY 8 2 76.30 1 8 A PRO 9 2 82.96 1 9 A LEU 10 2 79.09 1 10 A CYS 11 2 82.83 1 11 A VAL 12 2 81.76 1 12 A LEU 13 2 82.08 1 13 A GLY 14 2 82.64 1 14 A GLY 15 2 81.18 1 15 A ALA 16 2 82.38 1 16 A ALA 17 2 84.48 1 17 A LEU 18 2 79.69 1 18 A GLY 19 2 84.23 1 19 A VAL 20 2 80.06 1 20 A CYS 21 2 81.86 1 21 A LEU 22 2 80.59 1 22 A ALA 23 2 80.57 1 23 A GLY 24 2 78.34 1 24 A VAL 25 2 75.05 1 25 A ALA 26 2 75.03 1 26 A GLY 27 2 65.92 1 27 # _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 ALA . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n GLY . 27 A 27 # _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 ? -3.374 6.414 9.913 1.00 67.59 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.856 5.071 10.199 1.00 69.19 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.454 4.897 9.624 1.00 70.05 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.150 3.898 8.985 1.00 66.22 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.787 4.004 9.618 1.00 65.29 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.003 4.161 8.122 1.00 63.60 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.137 2.926 7.482 1.00 59.26 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.165 3.411 5.753 1.00 55.28 1 A 1 ATOM 9 N N . ALA A 1 2 ? -0.606 5.880 9.839 1.00 66.36 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 0.763 5.828 9.337 1.00 68.70 2 A 1 ATOM 11 C C . ALA A 1 2 ? 1.597 4.856 10.167 1.00 70.78 2 A 1 ATOM 12 O O . ALA A 1 2 ? 1.665 4.975 11.389 1.00 65.87 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 1.385 7.216 9.386 1.00 65.39 2 A 1 ATOM 14 N N . GLY A 1 3 ? 2.234 3.896 9.500 1.00 71.69 3 A 1 ATOM 15 C CA . GLY A 1 3 ? 3.064 2.924 10.210 1.00 72.98 3 A 1 ATOM 16 C C . GLY A 1 3 ? 2.241 1.893 10.956 1.00 75.93 3 A 1 ATOM 17 O O . GLY A 1 3 ? 2.704 1.316 11.936 1.00 73.31 3 A 1 ATOM 18 N N . TRP A 1 4 ? 1.014 1.664 10.495 1.00 75.86 4 A 1 ATOM 19 C CA . TRP A 1 4 ? 0.137 0.692 11.137 1.00 76.74 4 A 1 ATOM 20 C C . TRP A 1 4 ? 0.767 -0.702 11.063 1.00 78.73 4 A 1 ATOM 21 O O . TRP A 1 4 ? 1.391 -1.044 10.055 1.00 75.80 4 A 1 ATOM 22 C CB . TRP A 1 4 ? -1.230 0.686 10.445 1.00 74.00 4 A 1 ATOM 23 C CG . TRP A 1 4 ? -2.293 0.053 11.279 1.00 70.63 4 A 1 ATOM 24 C CD1 . TRP A 1 4 ? -2.676 -1.246 11.249 1.00 68.32 4 A 1 ATOM 25 C CD2 . TRP A 1 4 ? -3.111 0.695 12.283 1.00 70.94 4 A 1 ATOM 26 N NE1 . TRP A 1 4 ? -3.677 -1.457 12.168 1.00 66.22 4 A 1 ATOM 27 C CE2 . TRP A 1 4 ? -3.969 -0.282 12.820 1.00 68.69 4 A 1 ATOM 28 C CE3 . TRP A 1 4 ? -3.197 2.000 12.763 1.00 66.31 4 A 1 ATOM 29 C CZ2 . TRP A 1 4 ? -4.898 0.015 13.820 1.00 67.23 4 A 1 ATOM 30 C CZ3 . TRP A 1 4 ? -4.120 2.297 13.762 1.00 66.53 4 A 1 ATOM 31 C CH2 . TRP A 1 4 ? -4.965 1.310 14.288 1.00 66.22 4 A 1 ATOM 32 N N . PRO A 1 5 ? 0.616 -1.515 12.106 1.00 76.86 5 A 1 ATOM 33 C CA . PRO A 1 5 ? 1.203 -2.863 12.146 1.00 77.89 5 A 1 ATOM 34 C C . PRO A 1 5 ? 0.755 -3.742 10.984 1.00 79.58 5 A 1 ATOM 35 O O . PRO A 1 5 ? 1.566 -4.461 10.396 1.00 74.41 5 A 1 ATOM 36 C CB . PRO A 1 5 ? 0.716 -3.434 13.486 1.00 75.08 5 A 1 ATOM 37 C CG . PRO A 1 5 ? -0.456 -2.584 13.877 1.00 74.17 5 A 1 ATOM 38 C CD . PRO A 1 5 ? -0.169 -1.216 13.311 1.00 76.91 5 A 1 ATOM 39 N N . GLY A 1 6 ? -0.528 -3.697 10.666 1.00 74.80 6 A 1 ATOM 40 C CA . GLY A 1 6 ? -1.062 -4.492 9.565 1.00 75.15 6 A 1 ATOM 41 C C . GLY A 1 6 ? -0.664 -3.950 8.203 1.00 76.90 6 A 1 ATOM 42 O O . GLY A 1 6 ? -0.335 -4.709 7.291 1.00 74.40 6 A 1 ATOM 43 N N . ALA A 1 7 ? -0.685 -2.630 8.049 1.00 75.43 7 A 1 ATOM 44 C CA . ALA A 1 7 ? -0.328 -1.990 6.780 1.00 75.70 7 A 1 ATOM 45 C C . ALA A 1 7 ? 1.159 -1.639 6.730 1.00 77.60 7 A 1 ATOM 46 O O . ALA A 1 7 ? 1.760 -1.289 7.743 1.00 73.01 7 A 1 ATOM 47 C CB . ALA A 1 7 ? -1.170 -0.741 6.581 1.00 72.90 7 A 1 ATOM 48 N N . GLY A 1 8 ? 1.754 -1.724 5.535 1.00 74.64 8 A 1 ATOM 49 C CA . GLY A 1 8 ? 3.171 -1.407 5.375 1.00 75.24 8 A 1 ATOM 50 C C . GLY A 1 8 ? 3.449 0.061 5.652 1.00 77.96 8 A 1 ATOM 51 O O . GLY A 1 8 ? 2.725 0.931 5.168 1.00 77.35 8 A 1 ATOM 52 N N . PRO A 1 9 ? 4.503 0.349 6.413 1.00 82.69 9 A 1 ATOM 53 C CA . PRO A 1 9 ? 4.860 1.726 6.764 1.00 84.31 9 A 1 ATOM 54 C C . PRO A 1 9 ? 5.183 2.588 5.551 1.00 86.34 9 A 1 ATOM 55 O O . PRO A 1 9 ? 4.563 3.627 5.328 1.00 83.14 9 A 1 ATOM 56 C CB . PRO A 1 9 ? 6.095 1.563 7.666 1.00 81.84 9 A 1 ATOM 57 C CG . PRO A 1 9 ? 6.658 0.215 7.315 1.00 79.57 9 A 1 ATOM 58 C CD . PRO A 1 9 ? 5.465 -0.634 6.940 1.00 82.84 9 A 1 ATOM 59 N N . LEU A 1 10 ? 6.158 2.157 4.762 1.00 80.39 10 A 1 ATOM 60 C CA . LEU A 1 10 ? 6.566 2.915 3.577 1.00 81.44 10 A 1 ATOM 61 C C . LEU A 1 10 ? 5.493 2.854 2.497 1.00 83.26 10 A 1 ATOM 62 O O . LEU A 1 10 ? 5.255 3.830 1.781 1.00 80.65 10 A 1 ATOM 63 C CB . LEU A 1 10 ? 7.884 2.354 3.038 1.00 80.39 10 A 1 ATOM 64 C CG . LEU A 1 10 ? 9.044 2.487 4.025 1.00 77.79 10 A 1 ATOM 65 C CD1 . LEU A 1 10 ? 10.289 1.827 3.449 1.00 75.53 10 A 1 ATOM 66 C CD2 . LEU A 1 10 ? 9.318 3.951 4.335 1.00 73.29 10 A 1 ATOM 67 N N . CYS A 1 11 ? 4.843 1.709 2.378 1.00 83.38 11 A 1 ATOM 68 C CA . CYS A 1 11 ? 3.795 1.535 1.375 1.00 84.34 11 A 1 ATOM 69 C C . CYS A 1 11 ? 2.618 2.463 1.668 1.00 85.27 11 A 1 ATOM 70 O O . CYS A 1 11 ? 2.055 3.080 0.767 1.00 82.00 11 A 1 ATOM 71 C CB . CYS A 1 11 ? 3.328 0.077 1.349 1.00 82.13 11 A 1 ATOM 72 S SG . CYS A 1 11 ? 3.280 -0.628 -0.317 1.00 79.88 11 A 1 ATOM 73 N N . VAL A 1 12 ? 2.255 2.557 2.945 1.00 82.07 12 A 1 ATOM 74 C CA . VAL A 1 12 ? 1.153 3.430 3.345 1.00 82.68 12 A 1 ATOM 75 C C . VAL A 1 12 ? 1.513 4.888 3.096 1.00 83.46 12 A 1 ATOM 76 O O . VAL A 1 12 ? 0.694 5.664 2.595 1.00 83.21 12 A 1 ATOM 77 C CB . VAL A 1 12 ? 0.804 3.227 4.827 1.00 81.58 12 A 1 ATOM 78 C CG1 . VAL A 1 12 ? -0.208 4.266 5.286 1.00 78.90 12 A 1 ATOM 79 C CG2 . VAL A 1 12 ? 0.252 1.827 5.037 1.00 80.41 12 A 1 ATOM 80 N N . LEU A 1 13 ? 2.745 5.247 3.425 1.00 83.41 13 A 1 ATOM 81 C CA . LEU A 1 13 ? 3.200 6.624 3.234 1.00 84.17 13 A 1 ATOM 82 C C . LEU A 1 13 ? 3.214 6.987 1.754 1.00 85.53 13 A 1 ATOM 83 O O . LEU A 1 13 ? 2.699 8.033 1.354 1.00 83.91 13 A 1 ATOM 84 C CB . LEU A 1 13 ? 4.604 6.785 3.830 1.00 83.03 13 A 1 ATOM 85 C CG . LEU A 1 13 ? 4.618 6.680 5.356 1.00 80.93 13 A 1 ATOM 86 C CD1 . LEU A 1 13 ? 6.054 6.634 5.862 1.00 79.03 13 A 1 ATOM 87 C CD2 . LEU A 1 13 ? 3.881 7.858 5.975 1.00 76.60 13 A 1 ATOM 88 N N . GLY A 1 14 ? 3.803 6.115 0.939 1.00 82.44 14 A 1 ATOM 89 C CA . GLY A 1 14 ? 3.866 6.361 -0.502 1.00 81.60 14 A 1 ATOM 90 C C . GLY A 1 14 ? 2.503 6.263 -1.153 1.00 84.22 14 A 1 ATOM 91 O O . GLY A 1 14 ? 2.163 7.048 -2.041 1.00 82.29 14 A 1 ATOM 92 N N . GLY A 1 15 ? 1.714 5.298 -0.702 1.00 79.93 15 A 1 ATOM 93 C CA . GLY A 1 15 ? 0.372 5.114 -1.245 1.00 79.74 15 A 1 ATOM 94 C C . GLY A 1 15 ? -0.536 6.277 -0.914 1.00 82.85 15 A 1 ATOM 95 O O . GLY A 1 15 ? -1.296 6.748 -1.762 1.00 82.19 15 A 1 ATOM 96 N N . ALA A 1 16 ? -0.447 6.750 0.322 1.00 80.79 16 A 1 ATOM 97 C CA . ALA A 1 16 ? -1.264 7.882 0.751 1.00 82.72 16 A 1 ATOM 98 C C . ALA A 1 16 ? -0.821 9.160 0.051 1.00 85.07 16 A 1 ATOM 99 O O . ALA A 1 16 ? -1.635 10.044 -0.221 1.00 82.47 16 A 1 ATOM 100 C CB . ALA A 1 16 ? -1.161 8.055 2.265 1.00 80.85 16 A 1 ATOM 101 N N . ALA A 1 17 ? 0.477 9.248 -0.250 1.00 83.61 17 A 1 ATOM 102 C CA . ALA A 1 17 ? 1.031 10.429 -0.906 1.00 85.08 17 A 1 ATOM 103 C C . ALA A 1 17 ? 0.686 10.472 -2.392 1.00 86.49 17 A 1 ATOM 104 O O . ALA A 1 17 ? 0.194 11.484 -2.894 1.00 83.36 17 A 1 ATOM 105 C CB . ALA A 1 17 ? 2.547 10.461 -0.721 1.00 83.84 17 A 1 ATOM 106 N N . LEU A 1 18 ? 0.963 9.371 -3.106 1.00 79.64 18 A 1 ATOM 107 C CA . LEU A 1 18 ? 0.733 9.322 -4.554 1.00 80.87 18 A 1 ATOM 108 C C . LEU A 1 18 ? -0.144 8.142 -4.957 1.00 83.61 18 A 1 ATOM 109 O O . LEU A 1 18 ? -0.642 8.089 -6.078 1.00 80.35 18 A 1 ATOM 110 C CB . LEU A 1 18 ? 2.080 9.240 -5.282 1.00 80.47 18 A 1 ATOM 111 C CG . LEU A 1 18 ? 2.989 10.445 -5.033 1.00 78.36 18 A 1 ATOM 112 C CD1 . LEU A 1 18 ? 4.356 10.202 -5.656 1.00 77.93 18 A 1 ATOM 113 C CD2 . LEU A 1 18 ? 2.368 11.709 -5.603 1.00 76.25 18 A 1 ATOM 114 N N . GLY A 1 19 ? -0.314 7.197 -4.053 1.00 83.01 19 A 1 ATOM 115 C CA . GLY A 1 19 ? -1.106 6.011 -4.372 1.00 83.62 19 A 1 ATOM 116 C C . GLY A 1 19 ? -0.301 4.993 -5.156 1.00 85.93 19 A 1 ATOM 117 O O . GLY A 1 19 ? -0.862 4.150 -5.854 1.00 84.35 19 A 1 ATOM 118 N N . VAL A 1 20 ? 1.018 5.073 -5.053 1.00 78.63 20 A 1 ATOM 119 C CA . VAL A 1 20 ? 1.911 4.155 -5.767 1.00 81.23 20 A 1 ATOM 120 C C . VAL A 1 20 ? 1.742 2.729 -5.271 1.00 81.60 20 A 1 ATOM 121 O O . VAL A 1 20 ? 1.735 1.784 -6.060 1.00 78.67 20 A 1 ATOM 122 C CB . VAL A 1 20 ? 3.377 4.586 -5.600 1.00 80.69 20 A 1 ATOM 123 C CG1 . VAL A 1 20 ? 4.305 3.593 -6.290 1.00 78.57 20 A 1 ATOM 124 C CG2 . VAL A 1 20 ? 3.580 5.982 -6.167 1.00 81.00 20 A 1 ATOM 125 N N . CYS A 1 21 ? 1.614 2.566 -3.965 1.00 83.16 21 A 1 ATOM 126 C CA . CYS A 1 21 ? 1.453 1.233 -3.376 1.00 83.36 21 A 1 ATOM 127 C C . CYS A 1 21 ? 0.190 0.558 -3.906 1.00 83.87 21 A 1 ATOM 128 O O . CYS A 1 21 ? 0.214 -0.596 -4.323 1.00 80.54 21 A 1 ATOM 129 C CB . CYS A 1 21 ? 1.394 1.337 -1.850 1.00 81.34 21 A 1 ATOM 130 S SG . CYS A 1 21 ? 1.398 -0.278 -1.031 1.00 78.86 21 A 1 ATOM 131 N N . LEU A 1 22 ? -0.906 1.296 -3.905 1.00 82.72 22 A 1 ATOM 132 C CA . LEU A 1 22 ? -2.181 0.753 -4.377 1.00 83.15 22 A 1 ATOM 133 C C . LEU A 1 22 ? -2.110 0.413 -5.864 1.00 84.42 22 A 1 ATOM 134 O O . LEU A 1 22 ? -2.524 -0.664 -6.288 1.00 83.00 22 A 1 ATOM 135 C CB . LEU A 1 22 ? -3.301 1.771 -4.143 1.00 81.42 22 A 1 ATOM 136 C CG . LEU A 1 22 ? -4.692 1.216 -4.452 1.00 78.54 22 A 1 ATOM 137 C CD1 . LEU A 1 22 ? -5.094 0.183 -3.412 1.00 76.36 22 A 1 ATOM 138 C CD2 . LEU A 1 22 ? -5.715 2.345 -4.482 1.00 75.07 22 A 1 ATOM 139 N N . ALA A 1 23 ? -1.579 1.332 -6.662 1.00 80.16 23 A 1 ATOM 140 C CA . ALA A 1 23 ? -1.466 1.125 -8.103 1.00 81.16 23 A 1 ATOM 141 C C . ALA A 1 23 ? -0.487 0.001 -8.424 1.00 81.76 23 A 1 ATOM 142 O O . ALA A 1 23 ? -0.727 -0.801 -9.326 1.00 78.49 23 A 1 ATOM 143 C CB . ALA A 1 23 ? -1.016 2.416 -8.777 1.00 81.26 23 A 1 ATOM 144 N N . GLY A 1 24 ? 0.622 -0.065 -7.693 1.00 79.15 24 A 1 ATOM 145 C CA . GLY A 1 24 ? 1.630 -1.096 -7.917 1.00 77.71 24 A 1 ATOM 146 C C . GLY A 1 24 ? 1.114 -2.478 -7.566 1.00 78.50 24 A 1 ATOM 147 O O . GLY A 1 24 ? 1.360 -3.443 -8.285 1.00 78.01 24 A 1 ATOM 148 N N . VAL A 1 25 ? 0.380 -2.583 -6.470 1.00 76.88 25 A 1 ATOM 149 C CA . VAL A 1 25 ? -0.181 -3.871 -6.046 1.00 77.51 25 A 1 ATOM 150 C C . VAL A 1 25 ? -1.293 -4.309 -6.992 1.00 78.32 25 A 1 ATOM 151 O O . VAL A 1 25 ? -1.402 -5.487 -7.339 1.00 76.68 25 A 1 ATOM 152 C CB . VAL A 1 25 ? -0.727 -3.786 -4.610 1.00 74.69 25 A 1 ATOM 153 C CG1 . VAL A 1 25 ? -1.440 -5.076 -4.231 1.00 69.76 25 A 1 ATOM 154 C CG2 . VAL A 1 25 ? 0.414 -3.520 -3.637 1.00 71.53 25 A 1 ATOM 155 N N . ALA A 1 26 ? -2.114 -3.366 -7.401 1.00 75.18 26 A 1 ATOM 156 C CA . ALA A 1 26 ? -3.229 -3.665 -8.302 1.00 75.73 26 A 1 ATOM 157 C C . ALA A 1 26 ? -2.735 -3.962 -9.714 1.00 76.48 26 A 1 ATOM 158 O O . ALA A 1 26 ? -3.323 -4.774 -10.429 1.00 73.54 26 A 1 ATOM 159 C CB . ALA A 1 26 ? -4.206 -2.495 -8.328 1.00 74.23 26 A 1 ATOM 160 N N . GLY A 1 27 ? -1.669 -3.287 -10.126 1.00 73.37 27 A 1 ATOM 161 C CA . GLY A 1 27 ? -1.109 -3.473 -11.471 1.00 69.73 27 A 1 ATOM 162 C C . GLY A 1 27 ? 0.163 -4.297 -11.433 1.00 64.17 27 A 1 ATOM 163 O O . GLY A 1 27 ? 1.040 -4.090 -12.285 1.00 59.38 27 A 1 ATOM 164 O OXT . GLY A 1 27 ? 0.298 -5.150 -10.555 1.00 62.93 27 A 1 #