# 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_spkb15876 # _entry.id spkb15876 # 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 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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "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" "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" "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 SER 2 1 n SER 3 1 n THR 4 1 n LEU 5 1 n HIS 6 1 n SER 7 1 n VAL 8 1 n PHE 9 1 n PHE 10 1 n THR 11 1 n LEU 12 1 n LYS 13 1 n VAL 14 1 n SER 15 1 n ILE 16 1 n LEU 17 1 n LEU 18 1 n GLY 19 1 n SER 20 1 n LEU 21 1 n LEU 22 1 n GLY 23 1 n LEU 24 1 n CYS 25 1 n LEU 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 @ 2025-07-06 21:22:10)" _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 91.04 _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 72.40 1 1 A SER 2 2 82.72 1 2 A SER 3 2 87.48 1 3 A THR 4 2 87.66 1 4 A LEU 5 2 88.17 1 5 A HIS 6 2 84.52 1 6 A SER 7 2 93.20 1 7 A VAL 8 2 93.69 1 8 A PHE 9 2 90.20 1 9 A PHE 10 2 93.66 1 10 A THR 11 2 95.02 1 11 A LEU 12 2 93.88 1 12 A LYS 13 2 88.62 1 13 A VAL 14 2 95.34 1 14 A SER 15 2 94.94 1 15 A ILE 16 2 96.16 1 16 A LEU 17 2 94.77 1 17 A LEU 18 2 94.13 1 18 A GLY 19 2 97.33 1 19 A SER 20 2 95.64 1 20 A LEU 21 2 94.35 1 21 A LEU 22 2 93.47 1 22 A GLY 23 2 96.84 1 23 A LEU 24 2 92.77 1 24 A CYS 25 2 93.74 1 25 A LEU 26 2 90.97 1 26 A GLY 27 2 81.59 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 SER . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n HIS . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n CYS . 25 A 25 A 26 1 n LEU . 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 ? 0.940 5.674 21.017 1.00 80.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.715 4.585 20.376 1.00 82.43 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.888 3.751 19.371 1.00 81.88 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.328 2.689 18.966 1.00 75.71 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.358 3.703 21.463 1.00 74.39 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.499 4.434 22.186 1.00 67.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.789 3.846 23.867 1.00 60.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.207 2.757 23.599 1.00 55.97 1 A 1 ATOM 9 N N . SER A 1 2 ? -0.280 4.226 18.943 1.00 84.77 2 A 1 ATOM 10 C CA . SER A 1 2 ? -1.184 3.531 18.002 1.00 87.75 2 A 1 ATOM 11 C C . SER A 1 2 ? -1.035 3.997 16.542 1.00 87.73 2 A 1 ATOM 12 O O . SER A 1 2 ? -1.646 3.439 15.641 1.00 83.70 2 A 1 ATOM 13 C CB . SER A 1 2 ? -2.619 3.718 18.493 1.00 82.18 2 A 1 ATOM 14 O OG . SER A 1 2 ? -3.491 2.850 17.806 1.00 70.18 2 A 1 ATOM 15 N N . SER A 1 3 ? -0.220 5.022 16.283 1.00 90.49 3 A 1 ATOM 16 C CA . SER A 1 3 ? -0.049 5.626 14.955 1.00 92.14 3 A 1 ATOM 17 C C . SER A 1 3 ? 0.724 4.733 13.976 1.00 92.91 3 A 1 ATOM 18 O O . SER A 1 3 ? 0.459 4.770 12.776 1.00 88.91 3 A 1 ATOM 19 C CB . SER A 1 3 ? 0.652 6.982 15.103 1.00 87.55 3 A 1 ATOM 20 O OG . SER A 1 3 ? 1.753 6.876 15.980 1.00 72.90 3 A 1 ATOM 21 N N . THR A 1 4 ? 1.627 3.887 14.462 1.00 91.83 4 A 1 ATOM 22 C CA . THR A 1 4 ? 2.448 3.001 13.619 1.00 93.31 4 A 1 ATOM 23 C C . THR A 1 4 ? 1.620 1.882 12.990 1.00 93.80 4 A 1 ATOM 24 O O . THR A 1 4 ? 1.752 1.622 11.797 1.00 91.65 4 A 1 ATOM 25 C CB . THR A 1 4 ? 3.602 2.401 14.436 1.00 90.34 4 A 1 ATOM 26 O OG1 . THR A 1 4 ? 4.173 3.388 15.271 1.00 77.63 4 A 1 ATOM 27 C CG2 . THR A 1 4 ? 4.707 1.854 13.548 1.00 75.04 4 A 1 ATOM 28 N N . LEU A 1 5 ? 0.714 1.258 13.751 1.00 94.86 5 A 1 ATOM 29 C CA . LEU A 1 5 ? -0.183 0.210 13.240 1.00 94.66 5 A 1 ATOM 30 C C . LEU A 1 5 ? -1.146 0.755 12.180 1.00 94.79 5 A 1 ATOM 31 O O . LEU A 1 5 ? -1.356 0.120 11.147 1.00 94.23 5 A 1 ATOM 32 C CB . LEU A 1 5 ? -0.960 -0.407 14.418 1.00 93.06 5 A 1 ATOM 33 C CG . LEU A 1 5 ? -0.238 -1.625 15.010 1.00 83.25 5 A 1 ATOM 34 C CD1 . LEU A 1 5 ? -0.624 -1.816 16.473 1.00 75.74 5 A 1 ATOM 35 C CD2 . LEU A 1 5 ? -0.617 -2.890 14.241 1.00 74.78 5 A 1 ATOM 36 N N . HIS A 1 6 ? -1.690 1.960 12.393 1.00 95.47 6 A 1 ATOM 37 C CA . HIS A 1 6 ? -2.552 2.626 11.416 1.00 95.52 6 A 1 ATOM 38 C C . HIS A 1 6 ? -1.784 2.976 10.133 1.00 95.94 6 A 1 ATOM 39 O O . HIS A 1 6 ? -2.292 2.766 9.031 1.00 95.20 6 A 1 ATOM 40 C CB . HIS A 1 6 ? -3.167 3.870 12.060 1.00 93.21 6 A 1 ATOM 41 C CG . HIS A 1 6 ? -4.224 4.486 11.184 1.00 82.53 6 A 1 ATOM 42 N ND1 . HIS A 1 6 ? -4.074 5.611 10.411 1.00 71.03 6 A 1 ATOM 43 C CD2 . HIS A 1 6 ? -5.493 4.023 10.983 1.00 71.08 6 A 1 ATOM 44 C CE1 . HIS A 1 6 ? -5.232 5.821 9.760 1.00 71.33 6 A 1 ATOM 45 N NE2 . HIS A 1 6 ? -6.119 4.874 10.080 1.00 73.86 6 A 1 ATOM 46 N N . SER A 1 7 ? -0.535 3.433 10.251 1.00 96.28 7 A 1 ATOM 47 C CA . SER A 1 7 ? 0.335 3.735 9.112 1.00 96.44 7 A 1 ATOM 48 C C . SER A 1 7 ? 0.664 2.477 8.301 1.00 96.86 7 A 1 ATOM 49 O O . SER A 1 7 ? 0.533 2.489 7.080 1.00 95.36 7 A 1 ATOM 50 C CB . SER A 1 7 ? 1.614 4.406 9.609 1.00 94.61 7 A 1 ATOM 51 O OG . SER A 1 7 ? 2.390 4.826 8.511 1.00 79.65 7 A 1 ATOM 52 N N . VAL A 1 8 ? 1.008 1.370 8.958 1.00 95.79 8 A 1 ATOM 53 C CA . VAL A 1 8 ? 1.283 0.085 8.290 1.00 95.98 8 A 1 ATOM 54 C C . VAL A 1 8 ? 0.042 -0.426 7.553 1.00 96.59 8 A 1 ATOM 55 O O . VAL A 1 8 ? 0.136 -0.811 6.390 1.00 96.01 8 A 1 ATOM 56 C CB . VAL A 1 8 ? 1.801 -0.952 9.301 1.00 94.99 8 A 1 ATOM 57 C CG1 . VAL A 1 8 ? 1.915 -2.356 8.699 1.00 88.55 8 A 1 ATOM 58 C CG2 . VAL A 1 8 ? 3.196 -0.565 9.800 1.00 87.90 8 A 1 ATOM 59 N N . PHE A 1 9 ? -1.135 -0.369 8.193 1.00 96.00 9 A 1 ATOM 60 C CA . PHE A 1 9 ? -2.392 -0.785 7.569 1.00 95.72 9 A 1 ATOM 61 C C . PHE A 1 9 ? -2.757 0.081 6.355 1.00 96.03 9 A 1 ATOM 62 O O . PHE A 1 9 ? -3.169 -0.443 5.316 1.00 95.63 9 A 1 ATOM 63 C CB . PHE A 1 9 ? -3.494 -0.736 8.624 1.00 95.00 9 A 1 ATOM 64 C CG . PHE A 1 9 ? -4.826 -1.233 8.111 1.00 90.07 9 A 1 ATOM 65 C CD1 . PHE A 1 9 ? -5.834 -0.323 7.753 1.00 85.53 9 A 1 ATOM 66 C CD2 . PHE A 1 9 ? -5.048 -2.612 7.989 1.00 85.49 9 A 1 ATOM 67 C CE1 . PHE A 1 9 ? -7.076 -0.794 7.300 1.00 83.94 9 A 1 ATOM 68 C CE2 . PHE A 1 9 ? -6.288 -3.085 7.532 1.00 84.68 9 A 1 ATOM 69 C CZ . PHE A 1 9 ? -7.303 -2.176 7.194 1.00 84.12 9 A 1 ATOM 70 N N . PHE A 1 10 ? -2.571 1.403 6.456 1.00 96.57 10 A 1 ATOM 71 C CA . PHE A 1 10 ? -2.791 2.331 5.350 1.00 96.29 10 A 1 ATOM 72 C C . PHE A 1 10 ? -1.819 2.062 4.196 1.00 96.80 10 A 1 ATOM 73 O O . PHE A 1 10 ? -2.252 1.941 3.051 1.00 96.45 10 A 1 ATOM 74 C CB . PHE A 1 10 ? -2.664 3.762 5.868 1.00 95.72 10 A 1 ATOM 75 C CG . PHE A 1 10 ? -2.933 4.797 4.795 1.00 93.80 10 A 1 ATOM 76 C CD1 . PHE A 1 10 ? -1.868 5.432 4.136 1.00 91.02 10 A 1 ATOM 77 C CD2 . PHE A 1 10 ? -4.257 5.096 4.440 1.00 91.61 10 A 1 ATOM 78 C CE1 . PHE A 1 10 ? -2.123 6.372 3.128 1.00 90.22 10 A 1 ATOM 79 C CE2 . PHE A 1 10 ? -4.513 6.035 3.428 1.00 90.75 10 A 1 ATOM 80 C CZ . PHE A 1 10 ? -3.449 6.669 2.775 1.00 90.98 10 A 1 ATOM 81 N N . THR A 1 11 ? -0.535 1.878 4.486 1.00 96.78 11 A 1 ATOM 82 C CA . THR A 1 11 ? 0.491 1.552 3.486 1.00 96.82 11 A 1 ATOM 83 C C . THR A 1 11 ? 0.181 0.231 2.782 1.00 97.22 11 A 1 ATOM 84 O O . THR A 1 11 ? 0.300 0.156 1.561 1.00 96.13 11 A 1 ATOM 85 C CB . THR A 1 11 ? 1.877 1.487 4.142 1.00 95.96 11 A 1 ATOM 86 O OG1 . THR A 1 11 ? 2.174 2.713 4.770 1.00 91.70 11 A 1 ATOM 87 C CG2 . THR A 1 11 ? 2.996 1.248 3.125 1.00 90.56 11 A 1 ATOM 88 N N . LEU A 1 12 ? -0.275 -0.788 3.513 1.00 96.94 12 A 1 ATOM 89 C CA . LEU A 1 12 ? -0.667 -2.070 2.927 1.00 96.81 12 A 1 ATOM 90 C C . LEU A 1 12 ? -1.845 -1.911 1.954 1.00 97.17 12 A 1 ATOM 91 O O . LEU A 1 12 ? -1.794 -2.431 0.840 1.00 96.63 12 A 1 ATOM 92 C CB . LEU A 1 12 ? -1.021 -3.059 4.055 1.00 96.41 12 A 1 ATOM 93 C CG . LEU A 1 12 ? -0.533 -4.484 3.740 1.00 90.90 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? 0.873 -4.696 4.306 1.00 87.45 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? -1.465 -5.520 4.357 1.00 88.77 12 A 1 ATOM 96 N N . LYS A 1 13 ? -2.888 -1.151 2.344 1.00 96.60 13 A 1 ATOM 97 C CA . LYS A 1 13 ? -4.036 -0.869 1.469 1.00 96.48 13 A 1 ATOM 98 C C . LYS A 1 13 ? -3.631 -0.115 0.206 1.00 96.88 13 A 1 ATOM 99 O O . LYS A 1 13 ? -4.054 -0.492 -0.885 1.00 96.72 13 A 1 ATOM 100 C CB . LYS A 1 13 ? -5.105 -0.073 2.225 1.00 95.58 13 A 1 ATOM 101 C CG . LYS A 1 13 ? -6.054 -0.994 2.988 1.00 87.04 13 A 1 ATOM 102 C CD . LYS A 1 13 ? -7.247 -0.196 3.515 1.00 82.58 13 A 1 ATOM 103 C CE . LYS A 1 13 ? -8.331 -1.151 4.006 1.00 76.67 13 A 1 ATOM 104 N NZ . LYS A 1 13 ? -9.554 -0.426 4.415 1.00 69.01 13 A 1 ATOM 105 N N . VAL A 1 14 ? -2.807 0.916 0.342 1.00 97.06 14 A 1 ATOM 106 C CA . VAL A 1 14 ? -2.304 1.697 -0.794 1.00 97.04 14 A 1 ATOM 107 C C . VAL A 1 14 ? -1.437 0.828 -1.703 1.00 97.35 14 A 1 ATOM 108 O O . VAL A 1 14 ? -1.600 0.884 -2.915 1.00 96.72 14 A 1 ATOM 109 C CB . VAL A 1 14 ? -1.546 2.943 -0.307 1.00 96.18 14 A 1 ATOM 110 C CG1 . VAL A 1 14 ? -0.859 3.696 -1.448 1.00 91.19 14 A 1 ATOM 111 C CG2 . VAL A 1 14 ? -2.515 3.923 0.360 1.00 91.82 14 A 1 ATOM 112 N N . SER A 1 15 ? -0.578 -0.026 -1.149 1.00 97.58 15 A 1 ATOM 113 C CA . SER A 1 15 ? 0.278 -0.930 -1.923 1.00 97.45 15 A 1 ATOM 114 C C . SER A 1 15 ? -0.532 -1.940 -2.743 1.00 97.72 15 A 1 ATOM 115 O O . SER A 1 15 ? -0.217 -2.162 -3.909 1.00 96.72 15 A 1 ATOM 116 C CB . SER A 1 15 ? 1.233 -1.659 -0.978 1.00 96.50 15 A 1 ATOM 117 O OG . SER A 1 15 ? 2.183 -2.396 -1.714 1.00 83.68 15 A 1 ATOM 118 N N . ILE A 1 16 ? -1.596 -2.508 -2.180 1.00 97.81 16 A 1 ATOM 119 C CA . ILE A 1 16 ? -2.492 -3.422 -2.907 1.00 97.67 16 A 1 ATOM 120 C C . ILE A 1 16 ? -3.210 -2.674 -4.034 1.00 97.75 16 A 1 ATOM 121 O O . ILE A 1 16 ? -3.252 -3.161 -5.167 1.00 97.27 16 A 1 ATOM 122 C CB . ILE A 1 16 ? -3.488 -4.085 -1.933 1.00 97.48 16 A 1 ATOM 123 C CG1 . ILE A 1 16 ? -2.746 -5.040 -0.970 1.00 95.63 16 A 1 ATOM 124 C CG2 . ILE A 1 16 ? -4.576 -4.872 -2.699 1.00 94.35 16 A 1 ATOM 125 C CD1 . ILE A 1 16 ? -3.572 -5.432 0.260 1.00 91.30 16 A 1 ATOM 126 N N . LEU A 1 17 ? -3.740 -1.480 -3.751 1.00 98.04 17 A 1 ATOM 127 C CA . LEU A 1 17 ? -4.434 -0.660 -4.747 1.00 97.81 17 A 1 ATOM 128 C C . LEU A 1 17 ? -3.500 -0.260 -5.897 1.00 97.89 17 A 1 ATOM 129 O O . LEU A 1 17 ? -3.868 -0.383 -7.065 1.00 97.59 17 A 1 ATOM 130 C CB . LEU A 1 17 ? -5.007 0.579 -4.038 1.00 97.59 17 A 1 ATOM 131 C CG . LEU A 1 17 ? -6.030 1.337 -4.905 1.00 91.40 17 A 1 ATOM 132 C CD1 . LEU A 1 17 ? -7.400 0.651 -4.863 1.00 87.74 17 A 1 ATOM 133 C CD2 . LEU A 1 17 ? -6.192 2.766 -4.397 1.00 90.07 17 A 1 ATOM 134 N N . LEU A 1 18 ? -2.284 0.174 -5.579 1.00 98.01 18 A 1 ATOM 135 C CA . LEU A 1 18 ? -1.266 0.557 -6.554 1.00 97.73 18 A 1 ATOM 136 C C . LEU A 1 18 ? -0.806 -0.647 -7.382 1.00 97.82 18 A 1 ATOM 137 O O . LEU A 1 18 ? -0.668 -0.536 -8.593 1.00 97.52 18 A 1 ATOM 138 C CB . LEU A 1 18 ? -0.081 1.203 -5.811 1.00 97.26 18 A 1 ATOM 139 C CG . LEU A 1 18 ? 0.654 2.252 -6.662 1.00 90.45 18 A 1 ATOM 140 C CD1 . LEU A 1 18 ? -0.085 3.588 -6.612 1.00 86.52 18 A 1 ATOM 141 C CD2 . LEU A 1 18 ? 2.069 2.461 -6.137 1.00 87.77 18 A 1 ATOM 142 N N . GLY A 1 19 ? -0.618 -1.800 -6.750 1.00 97.67 19 A 1 ATOM 143 C CA . GLY A 1 19 ? -0.279 -3.047 -7.433 1.00 97.39 19 A 1 ATOM 144 C C . GLY A 1 19 ? -1.366 -3.494 -8.412 1.00 97.57 19 A 1 ATOM 145 O O . GLY A 1 19 ? -1.052 -3.880 -9.537 1.00 96.67 19 A 1 ATOM 146 N N . SER A 1 20 ? -2.639 -3.374 -8.040 1.00 97.73 20 A 1 ATOM 147 C CA . SER A 1 20 ? -3.766 -3.676 -8.932 1.00 97.59 20 A 1 ATOM 148 C C . SER A 1 20 ? -3.843 -2.710 -10.117 1.00 97.78 20 A 1 ATOM 149 O O . SER A 1 20 ? -4.056 -3.149 -11.243 1.00 96.48 20 A 1 ATOM 150 C CB . SER A 1 20 ? -5.088 -3.634 -8.161 1.00 96.72 20 A 1 ATOM 151 O OG . SER A 1 20 ? -5.105 -4.612 -7.141 1.00 87.53 20 A 1 ATOM 152 N N . LEU A 1 21 ? -3.628 -1.408 -9.890 1.00 97.59 21 A 1 ATOM 153 C CA . LEU A 1 21 ? -3.591 -0.401 -10.956 1.00 97.42 21 A 1 ATOM 154 C C . LEU A 1 21 ? -2.430 -0.638 -11.925 1.00 97.50 21 A 1 ATOM 155 O O . LEU A 1 21 ? -2.634 -0.611 -13.138 1.00 97.08 21 A 1 ATOM 156 C CB . LEU A 1 21 ? -3.493 0.997 -10.326 1.00 97.11 21 A 1 ATOM 157 C CG . LEU A 1 21 ? -4.856 1.553 -9.887 1.00 92.60 21 A 1 ATOM 158 C CD1 . LEU A 1 21 ? -4.673 2.654 -8.847 1.00 86.67 21 A 1 ATOM 159 C CD2 . LEU A 1 21 ? -5.621 2.139 -11.070 1.00 88.85 21 A 1 ATOM 160 N N . LEU A 1 22 ? -1.230 -0.928 -11.413 1.00 97.55 22 A 1 ATOM 161 C CA . LEU A 1 22 ? -0.067 -1.262 -12.233 1.00 97.23 22 A 1 ATOM 162 C C . LEU A 1 22 ? -0.287 -2.551 -13.030 1.00 97.21 22 A 1 ATOM 163 O O . LEU A 1 22 ? 0.054 -2.594 -14.208 1.00 96.71 22 A 1 ATOM 164 C CB . LEU A 1 22 ? 1.170 -1.385 -11.330 1.00 96.80 22 A 1 ATOM 165 C CG . LEU A 1 22 ? 1.775 -0.024 -10.950 1.00 91.53 22 A 1 ATOM 166 C CD1 . LEU A 1 22 ? 2.721 -0.188 -9.759 1.00 84.80 22 A 1 ATOM 167 C CD2 . LEU A 1 22 ? 2.573 0.578 -12.106 1.00 85.91 22 A 1 ATOM 168 N N . GLY A 1 23 ? -0.899 -3.559 -12.434 1.00 97.34 23 A 1 ATOM 169 C CA . GLY A 1 23 ? -1.260 -4.799 -13.126 1.00 97.08 23 A 1 ATOM 170 C C . GLY A 1 23 ? -2.250 -4.575 -14.273 1.00 97.17 23 A 1 ATOM 171 O O . GLY A 1 23 ? -2.105 -5.184 -15.327 1.00 95.75 23 A 1 ATOM 172 N N . LEU A 1 24 ? -3.215 -3.662 -14.115 1.00 96.94 24 A 1 ATOM 173 C CA . LEU A 1 24 ? -4.160 -3.295 -15.177 1.00 96.71 24 A 1 ATOM 174 C C . LEU A 1 24 ? -3.518 -2.446 -16.282 1.00 96.93 24 A 1 ATOM 175 O O . LEU A 1 24 ? -3.937 -2.539 -17.434 1.00 95.80 24 A 1 ATOM 176 C CB . LEU A 1 24 ? -5.343 -2.532 -14.556 1.00 95.95 24 A 1 ATOM 177 C CG . LEU A 1 24 ? -6.332 -3.427 -13.796 1.00 91.17 24 A 1 ATOM 178 C CD1 . LEU A 1 24 ? -7.280 -2.557 -12.969 1.00 84.61 24 A 1 ATOM 179 C CD2 . LEU A 1 24 ? -7.175 -4.277 -14.743 1.00 84.01 24 A 1 ATOM 180 N N . CYS A 1 25 ? -2.525 -1.614 -15.958 1.00 96.28 25 A 1 ATOM 181 C CA . CYS A 1 25 ? -1.837 -0.767 -16.938 1.00 95.97 25 A 1 ATOM 182 C C . CYS A 1 25 ? -0.728 -1.500 -17.705 1.00 96.07 25 A 1 ATOM 183 O O . CYS A 1 25 ? -0.402 -1.092 -18.816 1.00 94.49 25 A 1 ATOM 184 C CB . CYS A 1 25 ? -1.257 0.462 -16.224 1.00 94.02 25 A 1 ATOM 185 S SG . CYS A 1 25 ? -2.570 1.624 -15.742 1.00 85.62 25 A 1 ATOM 186 N N . LEU A 1 26 ? -0.122 -2.534 -17.111 1.00 95.41 26 A 1 ATOM 187 C CA . LEU A 1 26 ? 1.010 -3.279 -17.682 1.00 95.35 26 A 1 ATOM 188 C C . LEU A 1 26 ? 0.628 -4.676 -18.185 1.00 95.19 26 A 1 ATOM 189 O O . LEU A 1 26 ? 1.447 -5.311 -18.849 1.00 93.74 26 A 1 ATOM 190 C CB . LEU A 1 26 ? 2.133 -3.367 -16.631 1.00 93.82 26 A 1 ATOM 191 C CG . LEU A 1 26 ? 2.785 -2.022 -16.255 1.00 89.97 26 A 1 ATOM 192 C CD1 . LEU A 1 26 ? 3.682 -2.213 -15.029 1.00 83.47 26 A 1 ATOM 193 C CD2 . LEU A 1 26 ? 3.649 -1.475 -17.388 1.00 80.84 26 A 1 ATOM 194 N N . GLY A 1 27 ? -0.569 -5.155 -17.867 1.00 89.30 27 A 1 ATOM 195 C CA . GLY A 1 27 ? -1.093 -6.463 -18.245 1.00 85.44 27 A 1 ATOM 196 C C . GLY A 1 27 ? -2.000 -6.433 -19.461 1.00 80.25 27 A 1 ATOM 197 O O . GLY A 1 27 ? -2.607 -5.380 -19.734 1.00 73.69 27 A 1 ATOM 198 O OXT . GLY A 1 27 ? -2.130 -7.515 -20.110 1.00 79.25 27 A 1 #