# 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_spkb09838 # _entry.id spkb09838 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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" "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 GLU 2 1 n THR 3 1 n PHE 4 1 n TRP 5 1 n LEU 6 1 n ARG 7 1 n LEU 8 1 n SER 9 1 n PHE 10 1 n TRP 11 1 n VAL 12 1 n ALA 13 1 n LEU 14 1 n VAL 15 1 n GLY 16 1 n GLY 17 1 n VAL 18 1 n ILE 19 1 n SER 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 @ 2025-07-03 08:00:43)" _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 90.17 _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 78.63 1 1 A GLU 2 2 82.33 1 2 A THR 3 2 90.72 1 3 A PHE 4 2 90.35 1 4 A TRP 5 2 91.21 1 5 A LEU 6 2 93.81 1 6 A ARG 7 2 87.38 1 7 A LEU 8 2 93.13 1 8 A SER 9 2 94.52 1 9 A PHE 10 2 91.67 1 10 A TRP 11 2 90.59 1 11 A VAL 12 2 95.67 1 12 A ALA 13 2 96.30 1 13 A LEU 14 2 92.47 1 14 A VAL 15 2 94.02 1 15 A GLY 16 2 95.31 1 16 A GLY 17 2 94.53 1 17 A VAL 18 2 91.64 1 18 A ILE 19 2 86.95 1 19 A SER 20 2 80.94 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 GLU . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n SER . 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 ? 3.968 -1.584 14.389 1.00 85.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.808 -0.770 13.178 1.00 88.40 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.397 -1.644 11.987 1.00 89.53 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.907 -1.488 10.880 1.00 84.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.111 -0.033 12.864 1.00 80.56 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.483 0.967 13.955 1.00 75.01 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.137 1.633 13.725 1.00 66.94 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.239 2.725 15.134 1.00 58.58 1 A 1 ATOM 9 N N . GLU A 1 2 ? 2.482 -2.566 12.248 1.00 88.92 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 1.994 -3.474 11.209 1.00 91.31 2 A 1 ATOM 11 C C . GLU A 1 2 ? 0.824 -2.862 10.439 1.00 93.45 2 A 1 ATOM 12 O O . GLU A 1 2 ? 0.610 -3.172 9.265 1.00 91.08 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 1.584 -4.800 11.859 1.00 86.72 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 0.446 -4.639 12.865 1.00 78.32 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 0.177 -5.923 13.630 1.00 74.79 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 0.917 -6.901 13.428 1.00 66.47 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -0.769 -5.947 14.429 1.00 69.90 2 A 1 ATOM 18 N N . THR A 1 3 ? 0.086 -1.986 11.106 1.00 93.18 3 A 1 ATOM 19 C CA . THR A 1 3 ? -1.052 -1.316 10.479 1.00 94.70 3 A 1 ATOM 20 C C . THR A 1 3 ? -0.601 -0.458 9.303 1.00 95.62 3 A 1 ATOM 21 O O . THR A 1 3 ? -1.296 -0.360 8.289 1.00 93.29 3 A 1 ATOM 22 C CB . THR A 1 3 ? -1.791 -0.436 11.498 1.00 92.04 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -0.866 0.387 12.192 1.00 84.71 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -2.550 -1.283 12.498 1.00 81.48 3 A 1 ATOM 25 N N . PHE A 1 4 ? 0.570 0.142 9.447 1.00 93.59 4 A 1 ATOM 26 C CA . PHE A 1 4 ? 1.138 0.963 8.382 1.00 93.83 4 A 1 ATOM 27 C C . PHE A 1 4 ? 1.440 0.108 7.152 1.00 95.68 4 A 1 ATOM 28 O O . PHE A 1 4 ? 1.233 0.534 6.017 1.00 94.94 4 A 1 ATOM 29 C CB . PHE A 1 4 ? 2.406 1.654 8.887 1.00 92.20 4 A 1 ATOM 30 C CG . PHE A 1 4 ? 2.849 2.774 7.984 1.00 90.77 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? 3.802 2.550 7.002 1.00 88.35 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? 2.295 4.037 8.121 1.00 87.77 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? 4.201 3.578 6.158 1.00 85.69 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? 2.687 5.070 7.281 1.00 85.76 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? 3.642 4.841 6.298 1.00 85.25 4 A 1 ATOM 36 N N . TRP A 1 5 ? 1.912 -1.124 7.399 1.00 95.55 5 A 1 ATOM 37 C CA . TRP A 1 5 ? 2.209 -2.068 6.320 1.00 96.00 5 A 1 ATOM 38 C C . TRP A 1 5 ? 0.942 -2.422 5.547 1.00 96.77 5 A 1 ATOM 39 O O . TRP A 1 5 ? 0.928 -2.428 4.319 1.00 95.99 5 A 1 ATOM 40 C CB . TRP A 1 5 ? 2.852 -3.329 6.908 1.00 94.76 5 A 1 ATOM 41 C CG . TRP A 1 5 ? 4.271 -3.500 6.472 1.00 91.87 5 A 1 ATOM 42 C CD1 . TRP A 1 5 ? 5.384 -3.218 7.200 1.00 88.31 5 A 1 ATOM 43 C CD2 . TRP A 1 5 ? 4.735 -3.984 5.204 1.00 91.14 5 A 1 ATOM 44 N NE1 . TRP A 1 5 ? 6.509 -3.504 6.462 1.00 87.54 5 A 1 ATOM 45 C CE2 . TRP A 1 5 ? 6.149 -3.980 5.225 1.00 90.15 5 A 1 ATOM 46 C CE3 . TRP A 1 5 ? 4.094 -4.435 4.037 1.00 87.28 5 A 1 ATOM 47 C CZ2 . TRP A 1 5 ? 6.914 -4.403 4.137 1.00 89.00 5 A 1 ATOM 48 C CZ3 . TRP A 1 5 ? 4.855 -4.855 2.953 1.00 86.20 5 A 1 ATOM 49 C CH2 . TRP A 1 5 ? 6.249 -4.838 3.003 1.00 86.42 5 A 1 ATOM 50 N N . LEU A 1 6 ? -0.132 -2.676 6.284 1.00 96.54 6 A 1 ATOM 51 C CA . LEU A 1 6 ? -1.413 -3.012 5.671 1.00 96.54 6 A 1 ATOM 52 C C . LEU A 1 6 ? -1.968 -1.831 4.874 1.00 97.04 6 A 1 ATOM 53 O O . LEU A 1 6 ? -2.500 -2.007 3.777 1.00 96.30 6 A 1 ATOM 54 C CB . LEU A 1 6 ? -2.408 -3.432 6.757 1.00 95.98 6 A 1 ATOM 55 C CG . LEU A 1 6 ? -2.083 -4.776 7.407 1.00 92.01 6 A 1 ATOM 56 C CD1 . LEU A 1 6 ? -2.950 -4.988 8.642 1.00 88.95 6 A 1 ATOM 57 C CD2 . LEU A 1 6 ? -2.306 -5.918 6.421 1.00 87.14 6 A 1 ATOM 58 N N . ARG A 1 7 ? -1.830 -0.641 5.439 1.00 96.19 7 A 1 ATOM 59 C CA . ARG A 1 7 ? -2.290 0.575 4.762 1.00 96.78 7 A 1 ATOM 60 C C . ARG A 1 7 ? -1.523 0.793 3.465 1.00 97.08 7 A 1 ATOM 61 O O . ARG A 1 7 ? -2.110 1.156 2.445 1.00 95.83 7 A 1 ATOM 62 C CB . ARG A 1 7 ? -2.125 1.787 5.685 1.00 96.02 7 A 1 ATOM 63 C CG . ARG A 1 7 ? -3.136 1.797 6.818 1.00 89.89 7 A 1 ATOM 64 C CD . ARG A 1 7 ? -2.919 2.988 7.747 1.00 87.90 7 A 1 ATOM 65 N NE . ARG A 1 7 ? -3.368 4.234 7.115 1.00 82.28 7 A 1 ATOM 66 C CZ . ARG A 1 7 ? -3.243 5.434 7.668 1.00 77.76 7 A 1 ATOM 67 N NH1 . ARG A 1 7 ? -2.672 5.584 8.846 1.00 71.51 7 A 1 ATOM 68 N NH2 . ARG A 1 7 ? -3.691 6.501 7.029 1.00 69.99 7 A 1 ATOM 69 N N . LEU A 1 8 ? -0.229 0.556 3.510 1.00 96.25 8 A 1 ATOM 70 C CA . LEU A 1 8 ? 0.616 0.703 2.332 1.00 96.30 8 A 1 ATOM 71 C C . LEU A 1 8 ? 0.218 -0.313 1.260 1.00 96.73 8 A 1 ATOM 72 O O . LEU A 1 8 ? 0.097 0.028 0.085 1.00 96.27 8 A 1 ATOM 73 C CB . LEU A 1 8 ? 2.086 0.517 2.725 1.00 96.08 8 A 1 ATOM 74 C CG . LEU A 1 8 ? 3.064 1.078 1.693 1.00 90.18 8 A 1 ATOM 75 C CD1 . LEU A 1 8 ? 3.181 2.595 1.830 1.00 86.53 8 A 1 ATOM 76 C CD2 . LEU A 1 8 ? 4.437 0.440 1.862 1.00 86.68 8 A 1 ATOM 77 N N . SER A 1 9 ? -0.001 -1.551 1.678 1.00 96.07 9 A 1 ATOM 78 C CA . SER A 1 9 ? -0.407 -2.612 0.759 1.00 96.19 9 A 1 ATOM 79 C C . SER A 1 9 ? -1.758 -2.294 0.118 1.00 96.48 9 A 1 ATOM 80 O O . SER A 1 9 ? -1.961 -2.526 -1.074 1.00 95.46 9 A 1 ATOM 81 C CB . SER A 1 9 ? -0.484 -3.944 1.502 1.00 95.34 9 A 1 ATOM 82 O OG . SER A 1 9 ? 0.782 -4.293 2.030 1.00 87.56 9 A 1 ATOM 83 N N . PHE A 1 10 ? -2.659 -1.752 0.922 1.00 95.29 10 A 1 ATOM 84 C CA . PHE A 1 10 ? -3.976 -1.353 0.430 1.00 95.24 10 A 1 ATOM 85 C C . PHE A 1 10 ? -3.849 -0.257 -0.629 1.00 96.22 10 A 1 ATOM 86 O O . PHE A 1 10 ? -4.531 -0.293 -1.656 1.00 95.23 10 A 1 ATOM 87 C CB . PHE A 1 10 ? -4.832 -0.865 1.599 1.00 94.53 10 A 1 ATOM 88 C CG . PHE A 1 10 ? -6.207 -0.429 1.176 1.00 92.26 10 A 1 ATOM 89 C CD1 . PHE A 1 10 ? -6.507 0.921 1.030 1.00 88.76 10 A 1 ATOM 90 C CD2 . PHE A 1 10 ? -7.186 -1.375 0.905 1.00 89.13 10 A 1 ATOM 91 C CE1 . PHE A 1 10 ? -7.772 1.322 0.623 1.00 87.12 10 A 1 ATOM 92 C CE2 . PHE A 1 10 ? -8.452 -0.976 0.494 1.00 87.07 10 A 1 ATOM 93 C CZ . PHE A 1 10 ? -8.746 0.372 0.354 1.00 87.55 10 A 1 ATOM 94 N N . TRP A 1 11 ? -2.972 0.701 -0.371 1.00 95.46 11 A 1 ATOM 95 C CA . TRP A 1 11 ? -2.733 1.782 -1.318 1.00 95.69 11 A 1 ATOM 96 C C . TRP A 1 11 ? -2.161 1.245 -2.626 1.00 96.38 11 A 1 ATOM 97 O O . TRP A 1 11 ? -2.596 1.636 -3.706 1.00 95.79 11 A 1 ATOM 98 C CB . TRP A 1 11 ? -1.793 2.827 -0.701 1.00 95.49 11 A 1 ATOM 99 C CG . TRP A 1 11 ? -2.521 4.021 -0.172 1.00 93.04 11 A 1 ATOM 100 C CD1 . TRP A 1 11 ? -2.701 4.351 1.133 1.00 87.29 11 A 1 ATOM 101 C CD2 . TRP A 1 11 ? -3.176 5.048 -0.940 1.00 90.62 11 A 1 ATOM 102 N NE1 . TRP A 1 11 ? -3.426 5.519 1.224 1.00 86.51 11 A 1 ATOM 103 C CE2 . TRP A 1 11 ? -3.734 5.975 -0.032 1.00 89.70 11 A 1 ATOM 104 C CE3 . TRP A 1 11 ? -3.343 5.281 -2.311 1.00 86.70 11 A 1 ATOM 105 C CZ2 . TRP A 1 11 ? -4.442 7.105 -0.461 1.00 88.19 11 A 1 ATOM 106 C CZ3 . TRP A 1 11 ? -4.049 6.406 -2.739 1.00 83.24 11 A 1 ATOM 107 C CH2 . TRP A 1 11 ? -4.587 7.306 -1.818 1.00 84.17 11 A 1 ATOM 108 N N . VAL A 1 12 ? -1.210 0.329 -2.515 1.00 96.60 12 A 1 ATOM 109 C CA . VAL A 1 12 ? -0.595 -0.279 -3.694 1.00 96.56 12 A 1 ATOM 110 C C . VAL A 1 12 ? -1.641 -1.036 -4.514 1.00 96.89 12 A 1 ATOM 111 O O . VAL A 1 12 ? -1.663 -0.942 -5.742 1.00 96.18 12 A 1 ATOM 112 C CB . VAL A 1 12 ? 0.554 -1.219 -3.286 1.00 95.85 12 A 1 ATOM 113 C CG1 . VAL A 1 12 ? 1.123 -1.946 -4.500 1.00 93.71 12 A 1 ATOM 114 C CG2 . VAL A 1 12 ? 1.664 -0.438 -2.600 1.00 93.87 12 A 1 ATOM 115 N N . ALA A 1 13 ? -2.502 -1.774 -3.832 1.00 96.87 13 A 1 ATOM 116 C CA . ALA A 1 13 ? -3.556 -2.530 -4.503 1.00 96.69 13 A 1 ATOM 117 C C . ALA A 1 13 ? -4.563 -1.594 -5.180 1.00 96.89 13 A 1 ATOM 118 O O . ALA A 1 13 ? -4.986 -1.838 -6.312 1.00 95.06 13 A 1 ATOM 119 C CB . ALA A 1 13 ? -4.261 -3.434 -3.493 1.00 95.98 13 A 1 ATOM 120 N N . LEU A 1 14 ? -4.920 -0.531 -4.484 1.00 95.78 14 A 1 ATOM 121 C CA . LEU A 1 14 ? -5.867 0.452 -5.005 1.00 95.46 14 A 1 ATOM 122 C C . LEU A 1 14 ? -5.298 1.152 -6.233 1.00 95.98 14 A 1 ATOM 123 O O . LEU A 1 14 ? -5.959 1.251 -7.270 1.00 95.36 14 A 1 ATOM 124 C CB . LEU A 1 14 ? -6.212 1.466 -3.906 1.00 94.89 14 A 1 ATOM 125 C CG . LEU A 1 14 ? -7.415 2.355 -4.230 1.00 89.72 14 A 1 ATOM 126 C CD1 . LEU A 1 14 ? -8.374 2.410 -3.047 1.00 86.40 14 A 1 ATOM 127 C CD2 . LEU A 1 14 ? -6.961 3.761 -4.591 1.00 86.13 14 A 1 ATOM 128 N N . VAL A 1 15 ? -4.068 1.622 -6.115 1.00 95.89 15 A 1 ATOM 129 C CA . VAL A 1 15 ? -3.400 2.299 -7.228 1.00 95.69 15 A 1 ATOM 130 C C . VAL A 1 15 ? -3.197 1.334 -8.390 1.00 95.82 15 A 1 ATOM 131 O O . VAL A 1 15 ? -3.381 1.706 -9.550 1.00 94.19 15 A 1 ATOM 132 C CB . VAL A 1 15 ? -2.055 2.899 -6.770 1.00 94.50 15 A 1 ATOM 133 C CG1 . VAL A 1 15 ? -1.285 3.478 -7.948 1.00 90.59 15 A 1 ATOM 134 C CG2 . VAL A 1 15 ? -2.286 3.985 -5.731 1.00 91.49 15 A 1 ATOM 135 N N . GLY A 1 16 ? -2.831 0.105 -8.075 1.00 95.98 16 A 1 ATOM 136 C CA . GLY A 1 16 ? -2.625 -0.914 -9.101 1.00 95.59 16 A 1 ATOM 137 C C . GLY A 1 16 ? -3.889 -1.194 -9.897 1.00 95.88 16 A 1 ATOM 138 O O . GLY A 1 16 ? -3.833 -1.418 -11.106 1.00 93.81 16 A 1 ATOM 139 N N . GLY A 1 17 ? -5.028 -1.173 -9.227 1.00 95.06 17 A 1 ATOM 140 C CA . GLY A 1 17 ? -6.310 -1.386 -9.894 1.00 94.78 17 A 1 ATOM 141 C C . GLY A 1 17 ? -6.753 -0.189 -10.721 1.00 95.50 17 A 1 ATOM 142 O O . GLY A 1 17 ? -7.386 -0.352 -11.763 1.00 92.78 17 A 1 ATOM 143 N N . VAL A 1 18 ? -6.422 1.006 -10.248 1.00 93.84 18 A 1 ATOM 144 C CA . VAL A 1 18 ? -6.789 2.241 -10.950 1.00 94.23 18 A 1 ATOM 145 C C . VAL A 1 18 ? -5.869 2.500 -12.144 1.00 94.78 18 A 1 ATOM 146 O O . VAL A 1 18 ? -6.334 2.910 -13.210 1.00 92.21 18 A 1 ATOM 147 C CB . VAL A 1 18 ? -6.759 3.448 -9.990 1.00 92.40 18 A 1 ATOM 148 C CG1 . VAL A 1 18 ? -7.025 4.752 -10.737 1.00 86.68 18 A 1 ATOM 149 C CG2 . VAL A 1 18 ? -7.790 3.281 -8.882 1.00 87.31 18 A 1 ATOM 150 N N . ILE A 1 19 ? -4.580 2.269 -11.947 1.00 91.68 19 A 1 ATOM 151 C CA . ILE A 1 19 ? -3.595 2.522 -13.000 1.00 90.62 19 A 1 ATOM 152 C C . ILE A 1 19 ? -3.697 1.499 -14.127 1.00 90.07 19 A 1 ATOM 153 O O . ILE A 1 19 ? -3.410 1.804 -15.288 1.00 87.39 19 A 1 ATOM 154 C CB . ILE A 1 19 ? -2.163 2.538 -12.413 1.00 89.24 19 A 1 ATOM 155 C CG1 . ILE A 1 19 ? -1.163 3.136 -13.402 1.00 86.37 19 A 1 ATOM 156 C CG2 . ILE A 1 19 ? -1.712 1.132 -12.013 1.00 84.06 19 A 1 ATOM 157 C CD1 . ILE A 1 19 ? -1.215 4.647 -13.453 1.00 76.20 19 A 1 ATOM 158 N N . SER A 1 20 ? -4.090 0.294 -13.779 1.00 90.73 20 A 1 ATOM 159 C CA . SER A 1 20 ? -4.196 -0.788 -14.746 1.00 87.90 20 A 1 ATOM 160 C C . SER A 1 20 ? -5.624 -0.959 -15.254 1.00 83.75 20 A 1 ATOM 161 O O . SER A 1 20 ? -6.572 -0.581 -14.556 1.00 75.56 20 A 1 ATOM 162 C CB . SER A 1 20 ? -3.683 -2.099 -14.152 1.00 81.33 20 A 1 ATOM 163 O OG . SER A 1 20 ? -3.648 -3.112 -15.144 1.00 72.72 20 A 1 ATOM 164 O OXT . SER A 1 20 ? -5.794 -1.477 -16.343 1.00 74.62 20 A 1 #