# 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_spkb28882 # _entry.id spkb28882 # 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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 THR 2 1 n ARG 3 1 n ILE 4 1 n LYS 5 1 n LEU 6 1 n SER 7 1 n TYR 8 1 n PHE 9 1 n THR 10 1 n ILE 11 1 n GLY 12 1 n LEU 13 1 n VAL 14 1 n ALA 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n ALA 19 1 n LEU 20 1 n ALA 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 @ 2025-07-12 11:19:46)" _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 93.14 _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 78.74 1 1 A THR 2 2 89.39 1 2 A ARG 3 2 83.80 1 3 A ILE 4 2 91.06 1 4 A LYS 5 2 88.16 1 5 A LEU 6 2 91.82 1 6 A SER 7 2 95.06 1 7 A TYR 8 2 94.89 1 8 A PHE 9 2 95.12 1 9 A THR 10 2 96.39 1 10 A ILE 11 2 96.21 1 11 A GLY 12 2 98.28 1 12 A LEU 13 2 96.25 1 13 A VAL 14 2 97.51 1 14 A ALA 15 2 98.31 1 15 A LEU 16 2 96.61 1 16 A LEU 17 2 97.01 1 17 A LEU 18 2 96.61 1 18 A ALA 19 2 98.42 1 19 A LEU 20 2 95.35 1 20 A ALA 21 2 90.13 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 THR . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 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 ? 1.698 -5.542 16.627 1.00 85.75 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.762 -4.667 15.892 1.00 87.37 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.387 -4.222 14.572 1.00 87.39 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.889 -3.110 14.463 1.00 79.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.424 -3.438 16.730 1.00 79.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.277 -3.800 18.022 1.00 75.82 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.604 -2.353 19.031 1.00 70.83 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.394 -3.119 20.436 1.00 62.85 1 A 1 ATOM 9 N N . THR A 1 2 ? 1.364 -5.085 13.600 1.00 92.78 2 A 1 ATOM 10 C CA . THR A 1 2 ? 1.966 -4.772 12.310 1.00 93.13 2 A 1 ATOM 11 C C . THR A 1 2 ? 0.927 -4.358 11.273 1.00 93.24 2 A 1 ATOM 12 O O . THR A 1 2 ? 1.241 -3.636 10.328 1.00 90.20 2 A 1 ATOM 13 C CB . THR A 1 2 ? 2.752 -5.973 11.773 1.00 90.64 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 2.622 -7.091 12.645 1.00 84.04 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 4.219 -5.632 11.624 1.00 81.71 2 A 1 ATOM 16 N N . ARG A 1 3 ? -0.310 -4.808 11.467 1.00 94.45 3 A 1 ATOM 17 C CA . ARG A 1 3 ? -1.400 -4.477 10.542 1.00 95.07 3 A 1 ATOM 18 C C . ARG A 1 3 ? -1.004 -4.784 9.099 1.00 96.17 3 A 1 ATOM 19 O O . ARG A 1 3 ? -1.040 -3.914 8.229 1.00 93.88 3 A 1 ATOM 20 C CB . ARG A 1 3 ? -1.778 -3.004 10.682 1.00 92.30 3 A 1 ATOM 21 C CG . ARG A 1 3 ? -2.394 -2.676 12.028 1.00 84.90 3 A 1 ATOM 22 C CD . ARG A 1 3 ? -2.655 -1.192 12.134 1.00 83.11 3 A 1 ATOM 23 N NE . ARG A 1 3 ? -3.315 -0.855 13.396 1.00 76.42 3 A 1 ATOM 24 C CZ . ARG A 1 3 ? -3.379 0.371 13.894 1.00 72.63 3 A 1 ATOM 25 N NH1 . ARG A 1 3 ? -2.824 1.385 13.262 1.00 66.96 3 A 1 ATOM 26 N NH2 . ARG A 1 3 ? -4.006 0.589 15.032 1.00 65.87 3 A 1 ATOM 27 N N . ILE A 1 4 ? -0.628 -6.015 8.871 1.00 93.61 4 A 1 ATOM 28 C CA . ILE A 1 4 ? -0.182 -6.446 7.550 1.00 94.61 4 A 1 ATOM 29 C C . ILE A 1 4 ? -1.262 -6.210 6.500 1.00 95.76 4 A 1 ATOM 30 O O . ILE A 1 4 ? -0.993 -5.702 5.411 1.00 94.93 4 A 1 ATOM 31 C CB . ILE A 1 4 ? 0.216 -7.926 7.576 1.00 93.82 4 A 1 ATOM 32 C CG1 . ILE A 1 4 ? 1.346 -8.153 8.587 1.00 88.68 4 A 1 ATOM 33 C CG2 . ILE A 1 4 ? 0.654 -8.380 6.193 1.00 86.83 4 A 1 ATOM 34 C CD1 . ILE A 1 4 ? 1.621 -9.621 8.855 1.00 80.28 4 A 1 ATOM 35 N N . LYS A 1 5 ? -2.488 -6.570 6.843 1.00 94.84 5 A 1 ATOM 36 C CA . LYS A 1 5 ? -3.609 -6.407 5.918 1.00 95.20 5 A 1 ATOM 37 C C . LYS A 1 5 ? -3.810 -4.943 5.546 1.00 95.70 5 A 1 ATOM 38 O O . LYS A 1 5 ? -3.993 -4.613 4.372 1.00 95.50 5 A 1 ATOM 39 C CB . LYS A 1 5 ? -4.878 -6.977 6.550 1.00 94.67 5 A 1 ATOM 40 C CG . LYS A 1 5 ? -6.053 -6.990 5.587 1.00 89.04 5 A 1 ATOM 41 C CD . LYS A 1 5 ? -7.276 -7.607 6.236 1.00 83.72 5 A 1 ATOM 42 C CE . LYS A 1 5 ? -8.459 -7.596 5.286 1.00 76.32 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? -9.664 -8.213 5.913 1.00 68.43 5 A 1 ATOM 44 N N . LEU A 1 6 ? -3.768 -4.073 6.529 1.00 95.64 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -3.945 -2.641 6.308 1.00 95.78 6 A 1 ATOM 46 C C . LEU A 1 6 ? -2.777 -2.070 5.517 1.00 96.54 6 A 1 ATOM 47 O O . LEU A 1 6 ? -2.963 -1.235 4.630 1.00 96.12 6 A 1 ATOM 48 C CB . LEU A 1 6 ? -4.095 -1.931 7.657 1.00 95.22 6 A 1 ATOM 49 C CG . LEU A 1 6 ? -4.782 -0.574 7.564 1.00 87.82 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? -5.445 -0.236 8.891 1.00 83.79 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -3.800 0.518 7.199 1.00 83.64 6 A 1 ATOM 52 N N . SER A 1 7 ? -1.569 -2.522 5.826 1.00 96.62 7 A 1 ATOM 53 C CA . SER A 1 7 ? -0.370 -2.057 5.135 1.00 96.85 7 A 1 ATOM 54 C C . SER A 1 7 ? -0.435 -2.386 3.650 1.00 97.51 7 A 1 ATOM 55 O O . SER A 1 7 ? -0.181 -1.532 2.806 1.00 97.12 7 A 1 ATOM 56 C CB . SER A 1 7 ? 0.874 -2.686 5.750 1.00 96.04 7 A 1 ATOM 57 O OG . SER A 1 7 ? 1.009 -2.283 7.098 1.00 86.19 7 A 1 ATOM 58 N N . TYR A 1 8 ? -0.797 -3.625 3.338 1.00 97.12 8 A 1 ATOM 59 C CA . TYR A 1 8 ? -0.895 -4.044 1.944 1.00 97.46 8 A 1 ATOM 60 C C . TYR A 1 8 ? -2.002 -3.289 1.215 1.00 97.57 8 A 1 ATOM 61 O O . TYR A 1 8 ? -1.869 -2.960 0.035 1.00 97.29 8 A 1 ATOM 62 C CB . TYR A 1 8 ? -1.145 -5.546 1.869 1.00 97.30 8 A 1 ATOM 63 C CG . TYR A 1 8 ? 0.126 -6.353 2.009 1.00 95.97 8 A 1 ATOM 64 C CD1 . TYR A 1 8 ? 1.134 -6.253 1.057 1.00 92.79 8 A 1 ATOM 65 C CD2 . TYR A 1 8 ? 0.311 -7.207 3.088 1.00 93.37 8 A 1 ATOM 66 C CE1 . TYR A 1 8 ? 2.304 -6.988 1.178 1.00 92.32 8 A 1 ATOM 67 C CE2 . TYR A 1 8 ? 1.478 -7.945 3.219 1.00 92.34 8 A 1 ATOM 68 C CZ . TYR A 1 8 ? 2.469 -7.832 2.259 1.00 93.57 8 A 1 ATOM 69 O OH . TYR A 1 8 ? 3.626 -8.563 2.384 1.00 91.62 8 A 1 ATOM 70 N N . PHE A 1 9 ? -3.077 -2.994 1.926 1.00 97.49 9 A 1 ATOM 71 C CA . PHE A 1 9 ? -4.175 -2.225 1.346 1.00 97.49 9 A 1 ATOM 72 C C . PHE A 1 9 ? -3.704 -0.827 0.963 1.00 97.92 9 A 1 ATOM 73 O O . PHE A 1 9 ? -3.984 -0.347 -0.135 1.00 97.69 9 A 1 ATOM 74 C CB . PHE A 1 9 ? -5.327 -2.133 2.341 1.00 97.24 9 A 1 ATOM 75 C CG . PHE A 1 9 ? -6.442 -1.243 1.857 1.00 95.87 9 A 1 ATOM 76 C CD1 . PHE A 1 9 ? -7.321 -1.684 0.878 1.00 92.90 9 A 1 ATOM 77 C CD2 . PHE A 1 9 ? -6.593 0.033 2.373 1.00 93.39 9 A 1 ATOM 78 C CE1 . PHE A 1 9 ? -8.344 -0.870 0.422 1.00 91.95 9 A 1 ATOM 79 C CE2 . PHE A 1 9 ? -7.614 0.861 1.918 1.00 92.16 9 A 1 ATOM 80 C CZ . PHE A 1 9 ? -8.489 0.408 0.944 1.00 92.19 9 A 1 ATOM 81 N N . THR A 1 10 ? -2.984 -0.192 1.862 1.00 97.67 10 A 1 ATOM 82 C CA . THR A 1 10 ? -2.467 1.154 1.619 1.00 97.84 10 A 1 ATOM 83 C C . THR A 1 10 ? -1.465 1.149 0.472 1.00 98.14 10 A 1 ATOM 84 O O . THR A 1 10 ? -1.510 2.009 -0.406 1.00 97.85 10 A 1 ATOM 85 C CB . THR A 1 10 ? -1.796 1.714 2.877 1.00 97.42 10 A 1 ATOM 86 O OG1 . THR A 1 10 ? -2.667 1.576 3.989 1.00 93.74 10 A 1 ATOM 87 C CG2 . THR A 1 10 ? -1.460 3.185 2.701 1.00 92.08 10 A 1 ATOM 88 N N . ILE A 1 11 ? -0.579 0.171 0.475 1.00 97.84 11 A 1 ATOM 89 C CA . ILE A 1 11 ? 0.428 0.052 -0.578 1.00 97.79 11 A 1 ATOM 90 C C . ILE A 1 11 ? -0.241 -0.136 -1.935 1.00 98.04 11 A 1 ATOM 91 O O . ILE A 1 11 ? 0.163 0.472 -2.927 1.00 97.75 11 A 1 ATOM 92 C CB . ILE A 1 11 ? 1.379 -1.116 -0.286 1.00 97.41 11 A 1 ATOM 93 C CG1 . ILE A 1 11 ? 2.207 -0.821 0.966 1.00 95.36 11 A 1 ATOM 94 C CG2 . ILE A 1 11 ? 2.305 -1.364 -1.475 1.00 94.98 11 A 1 ATOM 95 C CD1 . ILE A 1 11 ? 2.923 -2.038 1.514 1.00 90.50 11 A 1 ATOM 96 N N . GLY A 1 12 ? -1.253 -0.976 -1.966 1.00 98.22 12 A 1 ATOM 97 C CA . GLY A 1 12 ? -1.971 -1.221 -3.211 1.00 98.22 12 A 1 ATOM 98 C C . GLY A 1 12 ? -2.656 0.030 -3.733 1.00 98.44 12 A 1 ATOM 99 O O . GLY A 1 12 ? -2.605 0.325 -4.927 1.00 98.23 12 A 1 ATOM 100 N N . LEU A 1 13 ? -3.284 0.764 -2.835 1.00 98.12 13 A 1 ATOM 101 C CA . LEU A 1 13 ? -3.978 1.994 -3.204 1.00 98.17 13 A 1 ATOM 102 C C . LEU A 1 13 ? -2.990 3.034 -3.720 1.00 98.42 13 A 1 ATOM 103 O O . LEU A 1 13 ? -3.227 3.680 -4.745 1.00 98.28 13 A 1 ATOM 104 C CB . LEU A 1 13 ? -4.749 2.523 -1.993 1.00 97.86 13 A 1 ATOM 105 C CG . LEU A 1 13 ? -5.898 3.460 -2.355 1.00 94.69 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? -6.944 3.451 -1.249 1.00 91.97 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? -5.402 4.876 -2.575 1.00 92.47 13 A 1 ATOM 108 N N . VAL A 1 14 ? -1.885 3.188 -3.013 1.00 98.18 14 A 1 ATOM 109 C CA . VAL A 1 14 ? -0.848 4.142 -3.417 1.00 98.20 14 A 1 ATOM 110 C C . VAL A 1 14 ? -0.236 3.736 -4.750 1.00 98.44 14 A 1 ATOM 111 O O . VAL A 1 14 ? 0.038 4.585 -5.603 1.00 98.15 14 A 1 ATOM 112 C CB . VAL A 1 14 ? 0.245 4.244 -2.342 1.00 97.67 14 A 1 ATOM 113 C CG1 . VAL A 1 14 ? 1.405 5.104 -2.820 1.00 95.93 14 A 1 ATOM 114 C CG2 . VAL A 1 14 ? -0.328 4.826 -1.063 1.00 96.01 14 A 1 ATOM 115 N N . ALA A 1 15 ? -0.025 2.449 -4.927 1.00 98.37 15 A 1 ATOM 116 C CA . ALA A 1 15 ? 0.553 1.942 -6.170 1.00 98.38 15 A 1 ATOM 117 C C . ALA A 1 15 ? -0.355 2.255 -7.357 1.00 98.57 15 A 1 ATOM 118 O O . ALA A 1 15 ? 0.118 2.649 -8.424 1.00 98.22 15 A 1 ATOM 119 C CB . ALA A 1 15 ? 0.782 0.440 -6.063 1.00 97.99 15 A 1 ATOM 120 N N . LEU A 1 16 ? -1.646 2.083 -7.161 1.00 98.37 16 A 1 ATOM 121 C CA . LEU A 1 16 ? -2.615 2.383 -8.212 1.00 98.33 16 A 1 ATOM 122 C C . LEU A 1 16 ? -2.599 3.866 -8.555 1.00 98.53 16 A 1 ATOM 123 O O . LEU A 1 16 ? -2.617 4.245 -9.728 1.00 98.31 16 A 1 ATOM 124 C CB . LEU A 1 16 ? -4.012 1.971 -7.754 1.00 98.08 16 A 1 ATOM 125 C CG . LEU A 1 16 ? -5.083 2.115 -8.833 1.00 95.21 16 A 1 ATOM 126 C CD1 . LEU A 1 16 ? -4.843 1.115 -9.957 1.00 92.63 16 A 1 ATOM 127 C CD2 . LEU A 1 16 ? -6.465 1.909 -8.238 1.00 93.46 16 A 1 ATOM 128 N N . LEU A 1 17 ? -2.567 4.691 -7.530 1.00 98.51 17 A 1 ATOM 129 C CA . LEU A 1 17 ? -2.524 6.139 -7.720 1.00 98.47 17 A 1 ATOM 130 C C . LEU A 1 17 ? -1.235 6.555 -8.417 1.00 98.61 17 A 1 ATOM 131 O O . LEU A 1 17 ? -1.240 7.425 -9.287 1.00 98.45 17 A 1 ATOM 132 C CB . LEU A 1 17 ? -2.638 6.841 -6.367 1.00 98.23 17 A 1 ATOM 133 C CG . LEU A 1 17 ? -2.850 8.351 -6.473 1.00 95.93 17 A 1 ATOM 134 C CD1 . LEU A 1 17 ? -4.239 8.658 -7.017 1.00 93.84 17 A 1 ATOM 135 C CD2 . LEU A 1 17 ? -2.667 9.014 -5.117 1.00 94.06 17 A 1 ATOM 136 N N . LEU A 1 18 ? -0.139 5.923 -8.036 1.00 98.50 18 A 1 ATOM 137 C CA . LEU A 1 18 ? 1.167 6.212 -8.626 1.00 98.39 18 A 1 ATOM 138 C C . LEU A 1 18 ? 1.175 5.872 -10.111 1.00 98.49 18 A 1 ATOM 139 O O . LEU A 1 18 ? 1.772 6.584 -10.918 1.00 98.12 18 A 1 ATOM 140 C CB . LEU A 1 18 ? 2.250 5.413 -7.899 1.00 98.02 18 A 1 ATOM 141 C CG . LEU A 1 18 ? 3.674 5.757 -8.327 1.00 95.45 18 A 1 ATOM 142 C CD1 . LEU A 1 18 ? 4.041 7.163 -7.876 1.00 92.94 18 A 1 ATOM 143 C CD2 . LEU A 1 18 ? 4.660 4.752 -7.753 1.00 93.00 18 A 1 ATOM 144 N N . ALA A 1 19 ? 0.515 4.792 -10.463 1.00 98.57 19 A 1 ATOM 145 C CA . ALA A 1 19 ? 0.432 4.377 -11.860 1.00 98.51 19 A 1 ATOM 146 C C . ALA A 1 19 ? -0.355 5.391 -12.688 1.00 98.59 19 A 1 ATOM 147 O O . ALA A 1 19 ? -0.054 5.610 -13.861 1.00 98.20 19 A 1 ATOM 148 C CB . ALA A 1 19 ? -0.214 2.998 -11.953 1.00 98.22 19 A 1 ATOM 149 N N . LEU A 1 20 ? -1.367 5.994 -12.069 1.00 97.77 20 A 1 ATOM 150 C CA . LEU A 1 20 ? -2.186 7.002 -12.737 1.00 97.57 20 A 1 ATOM 151 C C . LEU A 1 20 ? -1.519 8.371 -12.724 1.00 97.78 20 A 1 ATOM 152 O O . LEU A 1 20 ? -1.754 9.195 -13.609 1.00 96.92 20 A 1 ATOM 153 C CB . LEU A 1 20 ? -3.561 7.088 -12.060 1.00 96.99 20 A 1 ATOM 154 C CG . LEU A 1 20 ? -4.662 6.264 -12.730 1.00 94.61 20 A 1 ATOM 155 C CD1 . LEU A 1 20 ? -4.913 6.787 -14.133 1.00 91.02 20 A 1 ATOM 156 C CD2 . LEU A 1 20 ? -4.284 4.798 -12.779 1.00 90.15 20 A 1 ATOM 157 N N . ALA A 1 21 ? -0.705 8.608 -11.700 1.00 95.54 21 A 1 ATOM 158 C CA . ALA A 1 21 ? -0.032 9.889 -11.527 1.00 93.70 21 A 1 ATOM 159 C C . ALA A 1 21 ? 1.156 10.031 -12.471 1.00 91.84 21 A 1 ATOM 160 O O . ALA A 1 21 ? 1.907 9.055 -12.644 1.00 88.79 21 A 1 ATOM 161 C CB . ALA A 1 21 ? 0.408 10.066 -10.082 1.00 89.84 21 A 1 ATOM 162 O OXT . ALA A 1 21 ? 1.361 11.113 -13.030 1.00 81.05 21 A 1 #