# 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_spkb14452 # _entry.id spkb14452 # 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 VAL 2 1 n CYS 3 1 n VAL 4 1 n PRO 5 1 n TYR 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n PRO 13 1 n SER 14 1 n LEU 15 1 n LEU 16 1 n ARG 17 1 n VAL 18 1 n SER 19 1 n ALA 20 # _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 10:23:34)" _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 86.62 _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 67.31 1 1 A VAL 2 2 76.01 1 2 A CYS 3 2 80.56 1 3 A VAL 4 2 85.61 1 4 A PRO 5 2 89.56 1 5 A TYR 6 2 86.05 1 6 A LEU 7 2 88.45 1 7 A LEU 8 2 88.27 1 8 A LEU 9 2 88.91 1 9 A LEU 10 2 89.63 1 10 A LEU 11 2 88.79 1 11 A LEU 12 2 88.75 1 12 A PRO 13 2 93.62 1 13 A SER 14 2 92.65 1 14 A LEU 15 2 90.71 1 15 A LEU 16 2 90.59 1 16 A ARG 17 2 84.28 1 17 A VAL 18 2 89.48 1 18 A SER 19 2 89.51 1 19 A ALA 20 2 85.36 1 20 # _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 VAL . 2 A 2 A 3 1 n CYS . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ARG . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -15.905 6.475 12.799 1.00 71.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.658 5.691 12.757 1.00 74.99 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.401 5.195 11.346 1.00 75.96 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.159 4.385 10.830 1.00 71.93 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.741 4.494 13.704 1.00 69.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.059 4.762 15.029 1.00 63.55 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.104 3.341 16.103 1.00 58.19 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.104 3.939 17.458 1.00 52.96 1 A 1 ATOM 9 N N . VAL A 1 2 ? -13.356 5.693 10.745 1.00 78.47 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -13.004 5.283 9.393 1.00 80.91 2 A 1 ATOM 11 C C . VAL A 1 2 ? -11.533 4.897 9.347 1.00 82.84 2 A 1 ATOM 12 O O . VAL A 1 2 ? -10.662 5.720 9.626 1.00 78.35 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -13.278 6.402 8.394 1.00 75.35 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -13.027 5.910 6.978 1.00 66.95 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -14.706 6.901 8.530 1.00 69.17 2 A 1 ATOM 16 N N . CYS A 1 3 ? -11.281 3.648 9.000 1.00 82.31 3 A 1 ATOM 17 C CA . CYS A 1 3 ? -9.911 3.176 8.856 1.00 84.56 3 A 1 ATOM 18 C C . CYS A 1 3 ? -9.309 3.730 7.569 1.00 86.86 3 A 1 ATOM 19 O O . CYS A 1 3 ? -10.026 4.013 6.616 1.00 82.84 3 A 1 ATOM 20 C CB . CYS A 1 3 ? -9.879 1.654 8.834 1.00 77.89 3 A 1 ATOM 21 S SG . CYS A 1 3 ? -9.457 0.962 10.446 1.00 68.88 3 A 1 ATOM 22 N N . VAL A 1 4 ? -8.004 3.861 7.552 1.00 86.51 4 A 1 ATOM 23 C CA . VAL A 1 4 ? -7.335 4.400 6.374 1.00 88.06 4 A 1 ATOM 24 C C . VAL A 1 4 ? -6.625 3.285 5.609 1.00 90.06 4 A 1 ATOM 25 O O . VAL A 1 4 ? -5.400 3.152 5.698 1.00 89.48 4 A 1 ATOM 26 C CB . VAL A 1 4 ? -6.340 5.491 6.754 1.00 85.97 4 A 1 ATOM 27 C CG1 . VAL A 1 4 ? -6.155 6.421 5.573 1.00 79.12 4 A 1 ATOM 28 C CG2 . VAL A 1 4 ? -6.804 6.279 7.960 1.00 80.10 4 A 1 ATOM 29 N N . PRO A 1 5 ? -7.377 2.491 4.873 1.00 89.97 5 A 1 ATOM 30 C CA . PRO A 1 5 ? -6.792 1.384 4.110 1.00 90.66 5 A 1 ATOM 31 C C . PRO A 1 5 ? -5.963 1.864 2.927 1.00 92.04 5 A 1 ATOM 32 O O . PRO A 1 5 ? -4.981 1.224 2.550 1.00 90.92 5 A 1 ATOM 33 C CB . PRO A 1 5 ? -8.016 0.592 3.646 1.00 88.66 5 A 1 ATOM 34 C CG . PRO A 1 5 ? -9.114 1.587 3.590 1.00 85.99 5 A 1 ATOM 35 C CD . PRO A 1 5 ? -8.817 2.600 4.672 1.00 88.69 5 A 1 ATOM 36 N N . TYR A 1 6 ? -6.352 2.999 2.372 1.00 90.33 6 A 1 ATOM 37 C CA . TYR A 1 6 ? -5.639 3.556 1.224 1.00 90.56 6 A 1 ATOM 38 C C . TYR A 1 6 ? -4.240 4.028 1.613 1.00 91.36 6 A 1 ATOM 39 O O . TYR A 1 6 ? -3.291 3.880 0.845 1.00 90.37 6 A 1 ATOM 40 C CB . TYR A 1 6 ? -6.436 4.712 0.630 1.00 89.90 6 A 1 ATOM 41 C CG . TYR A 1 6 ? -7.344 4.265 -0.494 1.00 85.86 6 A 1 ATOM 42 C CD1 . TYR A 1 6 ? -6.820 3.953 -1.745 1.00 83.56 6 A 1 ATOM 43 C CD2 . TYR A 1 6 ? -8.714 4.152 -0.297 1.00 83.14 6 A 1 ATOM 44 C CE1 . TYR A 1 6 ? -7.647 3.539 -2.779 1.00 81.78 6 A 1 ATOM 45 C CE2 . TYR A 1 6 ? -9.550 3.738 -1.328 1.00 81.74 6 A 1 ATOM 46 C CZ . TYR A 1 6 ? -9.009 3.435 -2.567 1.00 83.20 6 A 1 ATOM 47 O OH . TYR A 1 6 ? -9.827 3.026 -3.589 1.00 80.82 6 A 1 ATOM 48 N N . LEU A 1 7 ? -4.115 4.570 2.802 1.00 92.34 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -2.817 5.033 3.283 1.00 91.77 7 A 1 ATOM 50 C C . LEU A 1 7 ? -1.836 3.874 3.411 1.00 92.28 7 A 1 ATOM 51 O O . LEU A 1 7 ? -0.676 3.987 3.018 1.00 91.24 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -2.988 5.736 4.626 1.00 91.39 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -3.007 7.257 4.532 1.00 85.32 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -3.409 7.876 5.855 1.00 81.42 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -1.636 7.769 4.121 1.00 81.88 7 A 1 ATOM 56 N N . LEU A 1 8 ? -2.314 2.771 3.962 1.00 92.41 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -1.481 1.582 4.116 1.00 91.76 8 A 1 ATOM 58 C C . LEU A 1 8 ? -1.204 0.924 2.771 1.00 92.38 8 A 1 ATOM 59 O O . LEU A 1 8 ? -0.087 0.485 2.504 1.00 91.73 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -2.157 0.586 5.054 1.00 91.31 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -1.844 0.808 6.532 1.00 84.47 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -2.652 1.966 7.098 1.00 80.63 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? -2.112 -0.458 7.323 1.00 81.50 8 A 1 ATOM 64 N N . LEU A 1 9 ? -2.225 0.861 1.939 1.00 92.80 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -2.100 0.247 0.621 1.00 92.12 9 A 1 ATOM 66 C C . LEU A 1 9 ? -1.116 1.013 -0.257 1.00 92.80 9 A 1 ATOM 67 O O . LEU A 1 9 ? -0.369 0.414 -1.031 1.00 92.10 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -3.473 0.186 -0.051 1.00 91.71 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -4.379 -0.929 0.461 1.00 84.45 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -5.817 -0.675 0.051 1.00 81.91 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -3.912 -2.277 -0.066 1.00 83.39 9 A 1 ATOM 72 N N . LEU A 1 10 ? -1.115 2.324 -0.131 1.00 93.24 10 A 1 ATOM 73 C CA . LEU A 1 10 ? -0.221 3.165 -0.919 1.00 92.35 10 A 1 ATOM 74 C C . LEU A 1 10 ? 1.191 3.172 -0.337 1.00 93.09 10 A 1 ATOM 75 O O . LEU A 1 10 ? 2.165 3.379 -1.063 1.00 91.69 10 A 1 ATOM 76 C CB . LEU A 1 10 ? -0.775 4.589 -0.971 1.00 91.99 10 A 1 ATOM 77 C CG . LEU A 1 10 ? -2.025 4.756 -1.835 1.00 86.73 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? -2.657 6.112 -1.588 1.00 83.36 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? -1.671 4.608 -3.309 1.00 84.59 10 A 1 ATOM 80 N N . LEU A 1 11 ? 1.293 2.947 0.956 1.00 92.78 11 A 1 ATOM 81 C CA . LEU A 1 11 ? 2.582 2.944 1.633 1.00 92.16 11 A 1 ATOM 82 C C . LEU A 1 11 ? 3.391 1.698 1.309 1.00 93.37 11 A 1 ATOM 83 O O . LEU A 1 11 ? 4.619 1.753 1.256 1.00 91.94 11 A 1 ATOM 84 C CB . LEU A 1 11 ? 2.363 3.044 3.142 1.00 91.50 11 A 1 ATOM 85 C CG . LEU A 1 11 ? 3.601 3.454 3.925 1.00 85.12 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? 3.857 4.950 3.768 1.00 81.04 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? 3.440 3.105 5.390 1.00 82.38 11 A 1 ATOM 88 N N . LEU A 1 12 ? 2.709 0.591 1.096 1.00 92.77 12 A 1 ATOM 89 C CA . LEU A 1 12 ? 3.370 -0.674 0.779 1.00 92.55 12 A 1 ATOM 90 C C . LEU A 1 12 ? 4.283 -0.559 -0.446 1.00 94.02 12 A 1 ATOM 91 O O . LEU A 1 12 ? 5.475 -0.867 -0.352 1.00 93.29 12 A 1 ATOM 92 C CB . LEU A 1 12 ? 2.316 -1.768 0.577 1.00 91.33 12 A 1 ATOM 93 C CG . LEU A 1 12 ? 2.885 -3.161 0.356 1.00 84.41 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? 3.485 -3.706 1.650 1.00 80.32 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 1.794 -4.092 -0.144 1.00 81.27 12 A 1 ATOM 96 N N . PRO A 1 13 ? 3.752 -0.133 -1.589 1.00 94.30 13 A 1 ATOM 97 C CA . PRO A 1 13 ? 4.585 0.009 -2.786 1.00 94.21 13 A 1 ATOM 98 C C . PRO A 1 13 ? 5.625 1.109 -2.634 1.00 95.12 13 A 1 ATOM 99 O O . PRO A 1 13 ? 6.721 1.016 -3.183 1.00 93.67 13 A 1 ATOM 100 C CB . PRO A 1 13 ? 3.572 0.352 -3.887 1.00 92.69 13 A 1 ATOM 101 C CG . PRO A 1 13 ? 2.403 0.923 -3.169 1.00 91.50 13 A 1 ATOM 102 C CD . PRO A 1 13 ? 2.363 0.220 -1.834 1.00 93.83 13 A 1 ATOM 103 N N . SER A 1 14 ? 5.303 2.128 -1.883 1.00 95.15 14 A 1 ATOM 104 C CA . SER A 1 14 ? 6.218 3.241 -1.648 1.00 94.79 14 A 1 ATOM 105 C C . SER A 1 14 ? 7.461 2.777 -0.892 1.00 95.00 14 A 1 ATOM 106 O O . SER A 1 14 ? 8.577 3.188 -1.205 1.00 92.55 14 A 1 ATOM 107 C CB . SER A 1 14 ? 5.510 4.344 -0.867 1.00 93.30 14 A 1 ATOM 108 O OG . SER A 1 14 ? 4.500 4.944 -1.643 1.00 85.09 14 A 1 ATOM 109 N N . LEU A 1 15 ? 7.257 1.908 0.091 1.00 94.81 15 A 1 ATOM 110 C CA . LEU A 1 15 ? 8.362 1.377 0.880 1.00 94.03 15 A 1 ATOM 111 C C . LEU A 1 15 ? 9.272 0.511 0.021 1.00 94.32 15 A 1 ATOM 112 O O . LEU A 1 15 ? 10.493 0.539 0.178 1.00 92.00 15 A 1 ATOM 113 C CB . LEU A 1 15 ? 7.815 0.566 2.054 1.00 92.91 15 A 1 ATOM 114 C CG . LEU A 1 15 ? 7.313 1.415 3.224 1.00 89.84 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? 6.452 0.586 4.154 1.00 83.72 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? 8.488 2.006 3.990 1.00 84.07 15 A 1 ATOM 117 N N . LEU A 1 16 ? 8.673 -0.242 -0.884 1.00 94.54 16 A 1 ATOM 118 C CA . LEU A 1 16 ? 9.434 -1.105 -1.778 1.00 93.96 16 A 1 ATOM 119 C C . LEU A 1 16 ? 10.322 -0.281 -2.705 1.00 94.70 16 A 1 ATOM 120 O O . LEU A 1 16 ? 11.449 -0.674 -3.005 1.00 92.77 16 A 1 ATOM 121 C CB . LEU A 1 16 ? 8.471 -1.971 -2.594 1.00 92.87 16 A 1 ATOM 122 C CG . LEU A 1 16 ? 7.856 -3.122 -1.804 1.00 88.65 16 A 1 ATOM 123 C CD1 . LEU A 1 16 ? 6.627 -3.662 -2.508 1.00 83.71 16 A 1 ATOM 124 C CD2 . LEU A 1 16 ? 8.881 -4.234 -1.618 1.00 83.55 16 A 1 ATOM 125 N N . ARG A 1 17 ? 9.830 0.855 -3.140 1.00 93.54 17 A 1 ATOM 126 C CA . ARG A 1 17 ? 10.581 1.735 -4.034 1.00 93.68 17 A 1 ATOM 127 C C . ARG A 1 17 ? 11.731 2.411 -3.299 1.00 93.78 17 A 1 ATOM 128 O O . ARG A 1 17 ? 12.818 2.565 -3.853 1.00 91.60 17 A 1 ATOM 129 C CB . ARG A 1 17 ? 9.658 2.795 -4.629 1.00 91.80 17 A 1 ATOM 130 C CG . ARG A 1 17 ? 8.518 2.209 -5.449 1.00 84.05 17 A 1 ATOM 131 C CD . ARG A 1 17 ? 9.020 1.622 -6.757 1.00 82.43 17 A 1 ATOM 132 N NE . ARG A 1 17 ? 7.916 1.153 -7.596 1.00 78.61 17 A 1 ATOM 133 C CZ . ARG A 1 17 ? 8.071 0.465 -8.714 1.00 75.74 17 A 1 ATOM 134 N NH1 . ARG A 1 17 ? 9.276 0.144 -9.148 1.00 70.33 17 A 1 ATOM 135 N NH2 . ARG A 1 17 ? 7.016 0.092 -9.407 1.00 71.52 17 A 1 ATOM 136 N N . VAL A 1 18 ? 11.482 2.818 -2.074 1.00 93.38 18 A 1 ATOM 137 C CA . VAL A 1 18 ? 12.498 3.489 -1.264 1.00 92.41 18 A 1 ATOM 138 C C . VAL A 1 18 ? 13.593 2.513 -0.841 1.00 93.27 18 A 1 ATOM 139 O O . VAL A 1 18 ? 14.770 2.882 -0.765 1.00 90.84 18 A 1 ATOM 140 C CB . VAL A 1 18 ? 11.854 4.145 -0.027 1.00 89.68 18 A 1 ATOM 141 C CG1 . VAL A 1 18 ? 12.910 4.759 0.878 1.00 83.19 18 A 1 ATOM 142 C CG2 . VAL A 1 18 ? 10.858 5.209 -0.439 1.00 83.60 18 A 1 ATOM 143 N N . SER A 1 19 ? 13.208 1.278 -0.570 1.00 93.07 19 A 1 ATOM 144 C CA . SER A 1 19 ? 14.151 0.243 -0.149 1.00 92.64 19 A 1 ATOM 145 C C . SER A 1 19 ? 15.058 -0.202 -1.293 1.00 92.32 19 A 1 ATOM 146 O O . SER A 1 19 ? 16.153 -0.716 -1.060 1.00 89.35 19 A 1 ATOM 147 C CB . SER A 1 19 ? 13.392 -0.958 0.414 1.00 90.65 19 A 1 ATOM 148 O OG . SER A 1 19 ? 12.778 -0.634 1.646 1.00 79.02 19 A 1 ATOM 149 N N . ALA A 1 20 ? 14.598 -0.016 -2.511 1.00 90.90 20 A 1 ATOM 150 C CA . ALA A 1 20 ? 15.343 -0.414 -3.695 1.00 89.60 20 A 1 ATOM 151 C C . ALA A 1 20 ? 16.473 0.565 -4.015 1.00 87.79 20 A 1 ATOM 152 O O . ALA A 1 20 ? 16.402 1.735 -3.602 1.00 84.27 20 A 1 ATOM 153 C CB . ALA A 1 20 ? 14.398 -0.553 -4.882 1.00 84.80 20 A 1 ATOM 154 O OXT . ALA A 1 20 ? 17.428 0.156 -4.705 1.00 74.82 20 A 1 #