# 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_spkb18905 # _entry.id spkb18905 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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 LEU 2 1 n ASP 3 1 n TRP 4 1 n ARG 5 1 n LEU 6 1 n ALA 7 1 n SER 8 1 n ALA 9 1 n HIS 10 1 n PHE 11 1 n ILE 12 1 n LEU 13 1 n ALA 14 1 n VAL 15 1 n THR 16 1 n LEU 17 1 n THR 18 1 n LEU 19 1 n TRP 20 1 n SER 21 1 n SER 22 1 n GLY 23 1 n LYS 24 1 n VAL 25 1 n LEU 26 1 n SER 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 @ 2025-07-10 21:32:19)" _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 89.25 _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 83.29 1 1 A LEU 2 2 86.48 1 2 A ASP 3 2 87.96 1 3 A TRP 4 2 83.31 1 4 A ARG 5 2 84.79 1 5 A LEU 6 2 92.54 1 6 A ALA 7 2 96.84 1 7 A SER 8 2 94.19 1 8 A ALA 9 2 96.40 1 9 A HIS 10 2 88.60 1 10 A PHE 11 2 92.23 1 11 A ILE 12 2 93.05 1 12 A LEU 13 2 92.45 1 13 A ALA 14 2 96.75 1 14 A VAL 15 2 95.45 1 15 A THR 16 2 93.57 1 16 A LEU 17 2 92.82 1 17 A THR 18 2 94.24 1 18 A LEU 19 2 92.77 1 19 A TRP 20 2 87.09 1 20 A SER 21 2 92.60 1 21 A SER 22 2 92.41 1 22 A GLY 23 2 93.41 1 23 A LYS 24 2 85.00 1 24 A VAL 25 2 87.37 1 25 A LEU 26 2 81.69 1 26 A SER 27 2 72.73 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 LEU . 2 A 2 A 3 1 n ASP . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n HIS . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n TRP . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n LYS . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n SER . 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 ? -8.766 19.606 1.049 1.00 90.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.601 19.943 0.215 1.00 92.16 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.455 18.960 0.454 1.00 91.78 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.504 18.904 -0.319 1.00 86.88 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.156 21.382 0.501 1.00 86.07 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.169 21.920 -0.527 1.00 79.84 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.873 23.675 -0.307 1.00 72.95 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.735 23.976 -1.660 1.00 65.94 1 A 1 ATOM 9 N N . LEU A 1 2 ? -6.547 18.187 1.521 1.00 92.39 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -5.542 17.183 1.858 1.00 92.47 2 A 1 ATOM 11 C C . LEU A 1 2 ? -6.053 15.779 1.561 1.00 93.43 2 A 1 ATOM 12 O O . LEU A 1 2 ? -5.625 14.802 2.173 1.00 92.06 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -5.156 17.299 3.337 1.00 90.32 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -4.525 18.627 3.733 1.00 81.57 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -4.333 18.680 5.247 1.00 75.19 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -3.191 18.825 3.034 1.00 74.44 2 A 1 ATOM 17 N N . ASP A 1 3 ? -6.982 15.693 0.634 1.00 93.54 3 A 1 ATOM 18 C CA . ASP A 1 3 ? -7.592 14.421 0.269 1.00 94.74 3 A 1 ATOM 19 C C . ASP A 1 3 ? -6.565 13.446 -0.291 1.00 95.69 3 A 1 ATOM 20 O O . ASP A 1 3 ? -6.571 12.259 0.040 1.00 94.38 3 A 1 ATOM 21 C CB . ASP A 1 3 ? -8.712 14.654 -0.751 1.00 91.50 3 A 1 ATOM 22 C CG . ASP A 1 3 ? -8.208 15.319 -2.019 1.00 80.86 3 A 1 ATOM 23 O OD1 . ASP A 1 3 ? -7.730 16.464 -1.935 1.00 77.78 3 A 1 ATOM 24 O OD2 . ASP A 1 3 ? -8.293 14.684 -3.084 1.00 75.15 3 A 1 ATOM 25 N N . TRP A 1 4 ? -5.666 13.958 -1.134 1.00 95.05 4 A 1 ATOM 26 C CA . TRP A 1 4 ? -4.634 13.123 -1.737 1.00 95.13 4 A 1 ATOM 27 C C . TRP A 1 4 ? -3.619 12.663 -0.692 1.00 95.96 4 A 1 ATOM 28 O O . TRP A 1 4 ? -3.064 11.571 -0.803 1.00 94.87 4 A 1 ATOM 29 C CB . TRP A 1 4 ? -3.934 13.879 -2.872 1.00 93.48 4 A 1 ATOM 30 C CG . TRP A 1 4 ? -2.979 14.939 -2.421 1.00 86.16 4 A 1 ATOM 31 C CD1 . TRP A 1 4 ? -3.264 16.237 -2.157 1.00 79.74 4 A 1 ATOM 32 C CD2 . TRP A 1 4 ? -1.564 14.784 -2.178 1.00 82.57 4 A 1 ATOM 33 N NE1 . TRP A 1 4 ? -2.128 16.902 -1.766 1.00 75.83 4 A 1 ATOM 34 C CE2 . TRP A 1 4 ? -1.058 16.036 -1.769 1.00 80.81 4 A 1 ATOM 35 C CE3 . TRP A 1 4 ? -0.683 13.707 -2.278 1.00 70.76 4 A 1 ATOM 36 C CZ2 . TRP A 1 4 ? 0.288 16.227 -1.461 1.00 74.70 4 A 1 ATOM 37 C CZ3 . TRP A 1 4 ? 0.663 13.898 -1.967 1.00 70.29 4 A 1 ATOM 38 C CH2 . TRP A 1 4 ? 1.138 15.147 -1.563 1.00 70.99 4 A 1 ATOM 39 N N . ARG A 1 5 ? -3.388 13.493 0.316 1.00 95.68 5 A 1 ATOM 40 C CA . ARG A 1 5 ? -2.464 13.158 1.399 1.00 95.93 5 A 1 ATOM 41 C C . ARG A 1 5 ? -2.988 11.987 2.212 1.00 96.40 5 A 1 ATOM 42 O O . ARG A 1 5 ? -2.266 11.027 2.471 1.00 95.28 5 A 1 ATOM 43 C CB . ARG A 1 5 ? -2.244 14.368 2.307 1.00 95.27 5 A 1 ATOM 44 C CG . ARG A 1 5 ? -1.100 15.265 1.868 1.00 89.90 5 A 1 ATOM 45 C CD . ARG A 1 5 ? 0.233 14.576 2.098 1.00 84.31 5 A 1 ATOM 46 N NE . ARG A 1 5 ? 1.371 15.453 1.820 1.00 77.03 5 A 1 ATOM 47 C CZ . ARG A 1 5 ? 2.637 15.081 1.900 1.00 72.43 5 A 1 ATOM 48 N NH1 . ARG A 1 5 ? 2.952 13.850 2.245 1.00 65.95 5 A 1 ATOM 49 N NH2 . ARG A 1 5 ? 3.597 15.941 1.635 1.00 64.49 5 A 1 ATOM 50 N N . LEU A 1 6 ? -4.243 12.070 2.604 1.00 96.76 6 A 1 ATOM 51 C CA . LEU A 1 6 ? -4.871 11.013 3.382 1.00 96.67 6 A 1 ATOM 52 C C . LEU A 1 6 ? -4.956 9.723 2.576 1.00 96.76 6 A 1 ATOM 53 O O . LEU A 1 6 ? -4.663 8.640 3.083 1.00 96.60 6 A 1 ATOM 54 C CB . LEU A 1 6 ? -6.263 11.453 3.831 1.00 96.36 6 A 1 ATOM 55 C CG . LEU A 1 6 ? -6.988 10.450 4.724 1.00 88.89 6 A 1 ATOM 56 C CD1 . LEU A 1 6 ? -6.225 10.228 6.019 1.00 83.85 6 A 1 ATOM 57 C CD2 . LEU A 1 6 ? -8.394 10.941 5.023 1.00 84.43 6 A 1 ATOM 58 N N . ALA A 1 7 ? -5.335 9.845 1.312 1.00 97.19 7 A 1 ATOM 59 C CA . ALA A 1 7 ? -5.437 8.694 0.423 1.00 96.93 7 A 1 ATOM 60 C C . ALA A 1 7 ? -4.078 8.033 0.218 1.00 97.24 7 A 1 ATOM 61 O O . ALA A 1 7 ? -3.970 6.807 0.228 1.00 96.74 7 A 1 ATOM 62 C CB . ALA A 1 7 ? -6.023 9.125 -0.916 1.00 96.08 7 A 1 ATOM 63 N N . SER A 1 8 ? -3.043 8.843 0.051 1.00 96.48 8 A 1 ATOM 64 C CA . SER A 1 8 ? -1.685 8.347 -0.138 1.00 96.47 8 A 1 ATOM 65 C C . SER A 1 8 ? -1.211 7.573 1.086 1.00 96.76 8 A 1 ATOM 66 O O . SER A 1 8 ? -0.667 6.477 0.963 1.00 96.36 8 A 1 ATOM 67 C CB . SER A 1 8 ? -0.729 9.502 -0.418 1.00 95.37 8 A 1 ATOM 68 O OG . SER A 1 8 ? 0.577 9.019 -0.640 1.00 83.71 8 A 1 ATOM 69 N N . ALA A 1 9 ? -1.429 8.138 2.266 1.00 96.49 9 A 1 ATOM 70 C CA . ALA A 1 9 ? -1.025 7.492 3.510 1.00 96.43 9 A 1 ATOM 71 C C . ALA A 1 9 ? -1.741 6.160 3.697 1.00 96.81 9 A 1 ATOM 72 O O . ALA A 1 9 ? -1.125 5.159 4.066 1.00 96.25 9 A 1 ATOM 73 C CB . ALA A 1 9 ? -1.310 8.413 4.690 1.00 96.02 9 A 1 ATOM 74 N N . HIS A 1 10 ? -3.034 6.151 3.426 1.00 96.25 10 A 1 ATOM 75 C CA . HIS A 1 10 ? -3.835 4.940 3.549 1.00 96.37 10 A 1 ATOM 76 C C . HIS A 1 10 ? -3.385 3.879 2.550 1.00 97.00 10 A 1 ATOM 77 O O . HIS A 1 10 ? -3.268 2.700 2.887 1.00 96.64 10 A 1 ATOM 78 C CB . HIS A 1 10 ? -5.311 5.271 3.336 1.00 95.42 10 A 1 ATOM 79 C CG . HIS A 1 10 ? -6.209 4.097 3.561 1.00 90.71 10 A 1 ATOM 80 N ND1 . HIS A 1 10 ? -6.949 3.501 2.568 1.00 77.98 10 A 1 ATOM 81 C CD2 . HIS A 1 10 ? -6.475 3.406 4.694 1.00 78.67 10 A 1 ATOM 82 C CE1 . HIS A 1 10 ? -7.636 2.496 3.092 1.00 77.65 10 A 1 ATOM 83 N NE2 . HIS A 1 10 ? -7.369 2.408 4.383 1.00 79.34 10 A 1 ATOM 84 N N . PHE A 1 11 ? -3.127 4.301 1.315 1.00 94.70 11 A 1 ATOM 85 C CA . PHE A 1 11 ? -2.681 3.399 0.260 1.00 95.01 11 A 1 ATOM 86 C C . PHE A 1 11 ? -1.335 2.774 0.602 1.00 95.88 11 A 1 ATOM 87 O O . PHE A 1 11 ? -1.160 1.563 0.495 1.00 95.41 11 A 1 ATOM 88 C CB . PHE A 1 11 ? -2.588 4.151 -1.063 1.00 94.35 11 A 1 ATOM 89 C CG . PHE A 1 11 ? -2.290 3.252 -2.233 1.00 92.88 11 A 1 ATOM 90 C CD1 . PHE A 1 11 ? -3.297 2.495 -2.813 1.00 89.63 11 A 1 ATOM 91 C CD2 . PHE A 1 11 ? -1.007 3.170 -2.747 1.00 90.50 11 A 1 ATOM 92 C CE1 . PHE A 1 11 ? -3.025 1.666 -3.892 1.00 88.32 11 A 1 ATOM 93 C CE2 . PHE A 1 11 ? -0.727 2.335 -3.824 1.00 88.43 11 A 1 ATOM 94 C CZ . PHE A 1 11 ? -1.738 1.583 -4.397 1.00 89.39 11 A 1 ATOM 95 N N . ILE A 1 12 ? -0.390 3.603 1.020 1.00 95.09 12 A 1 ATOM 96 C CA . ILE A 1 12 ? 0.944 3.130 1.383 1.00 94.53 12 A 1 ATOM 97 C C . ILE A 1 12 ? 0.870 2.152 2.549 1.00 94.98 12 A 1 ATOM 98 O O . ILE A 1 12 ? 1.535 1.113 2.544 1.00 94.81 12 A 1 ATOM 99 C CB . ILE A 1 12 ? 1.869 4.306 1.738 1.00 94.14 12 A 1 ATOM 100 C CG1 . ILE A 1 12 ? 2.131 5.165 0.496 1.00 92.69 12 A 1 ATOM 101 C CG2 . ILE A 1 12 ? 3.191 3.799 2.311 1.00 91.84 12 A 1 ATOM 102 C CD1 . ILE A 1 12 ? 2.807 6.482 0.806 1.00 86.35 12 A 1 ATOM 103 N N . LEU A 1 13 ? 0.063 2.482 3.539 1.00 95.94 13 A 1 ATOM 104 C CA . LEU A 1 13 ? -0.101 1.623 4.704 1.00 95.50 13 A 1 ATOM 105 C C . LEU A 1 13 ? -0.661 0.262 4.310 1.00 95.84 13 A 1 ATOM 106 O O . LEU A 1 13 ? -0.158 -0.776 4.742 1.00 95.75 13 A 1 ATOM 107 C CB . LEU A 1 13 ? -1.025 2.297 5.719 1.00 95.06 13 A 1 ATOM 108 C CG . LEU A 1 13 ? -1.228 1.510 7.012 1.00 89.13 13 A 1 ATOM 109 C CD1 . LEU A 1 13 ? 0.076 1.389 7.780 1.00 85.79 13 A 1 ATOM 110 C CD2 . LEU A 1 13 ? -2.286 2.182 7.870 1.00 86.57 13 A 1 ATOM 111 N N . ALA A 1 14 ? -1.692 0.269 3.483 1.00 96.89 14 A 1 ATOM 112 C CA . ALA A 1 14 ? -2.327 -0.964 3.036 1.00 96.92 14 A 1 ATOM 113 C C . ALA A 1 14 ? -1.372 -1.822 2.212 1.00 97.04 14 A 1 ATOM 114 O O . ALA A 1 14 ? -1.270 -3.031 2.424 1.00 96.33 14 A 1 ATOM 115 C CB . ALA A 1 14 ? -3.575 -0.636 2.222 1.00 96.57 14 A 1 ATOM 116 N N . VAL A 1 15 ? -0.662 -1.197 1.285 1.00 96.63 15 A 1 ATOM 117 C CA . VAL A 1 15 ? 0.293 -1.902 0.430 1.00 96.26 15 A 1 ATOM 118 C C . VAL A 1 15 ? 1.436 -2.476 1.255 1.00 96.47 15 A 1 ATOM 119 O O . VAL A 1 15 ? 1.820 -3.631 1.078 1.00 95.92 15 A 1 ATOM 120 C CB . VAL A 1 15 ? 0.845 -0.973 -0.664 1.00 95.73 15 A 1 ATOM 121 C CG1 . VAL A 1 15 ? 1.966 -1.654 -1.443 1.00 93.89 15 A 1 ATOM 122 C CG2 . VAL A 1 15 ? -0.261 -0.567 -1.620 1.00 93.26 15 A 1 ATOM 123 N N . THR A 1 16 ? 1.968 -1.679 2.164 1.00 95.92 16 A 1 ATOM 124 C CA . THR A 1 16 ? 3.076 -2.112 3.015 1.00 95.52 16 A 1 ATOM 125 C C . THR A 1 16 ? 2.676 -3.322 3.851 1.00 95.54 16 A 1 ATOM 126 O O . THR A 1 16 ? 3.417 -4.302 3.929 1.00 94.45 16 A 1 ATOM 127 C CB . THR A 1 16 ? 3.533 -0.984 3.947 1.00 94.98 16 A 1 ATOM 128 O OG1 . THR A 1 16 ? 3.953 0.131 3.178 1.00 90.94 16 A 1 ATOM 129 C CG2 . THR A 1 16 ? 4.699 -1.433 4.818 1.00 87.65 16 A 1 ATOM 130 N N . LEU A 1 17 ? 1.512 -3.257 4.462 1.00 96.69 17 A 1 ATOM 131 C CA . LEU A 1 17 ? 1.017 -4.351 5.287 1.00 96.11 17 A 1 ATOM 132 C C . LEU A 1 17 ? 0.820 -5.616 4.460 1.00 96.00 17 A 1 ATOM 133 O O . LEU A 1 17 ? 1.180 -6.713 4.886 1.00 95.43 17 A 1 ATOM 134 C CB . LEU A 1 17 ? -0.298 -3.946 5.950 1.00 95.94 17 A 1 ATOM 135 C CG . LEU A 1 17 ? -0.848 -4.965 6.943 1.00 90.14 17 A 1 ATOM 136 C CD1 . LEU A 1 17 ? 0.082 -5.121 8.133 1.00 85.28 17 A 1 ATOM 137 C CD2 . LEU A 1 17 ? -2.233 -4.545 7.409 1.00 86.98 17 A 1 ATOM 138 N N . THR A 1 18 ? 0.267 -5.459 3.270 1.00 96.65 18 A 1 ATOM 139 C CA . THR A 1 18 ? 0.022 -6.588 2.376 1.00 96.31 18 A 1 ATOM 140 C C . THR A 1 18 ? 1.330 -7.230 1.921 1.00 96.32 18 A 1 ATOM 141 O O . THR A 1 18 ? 1.476 -8.452 1.955 1.00 94.94 18 A 1 ATOM 142 C CB . THR A 1 18 ? -0.781 -6.147 1.149 1.00 95.76 18 A 1 ATOM 143 O OG1 . THR A 1 18 ? -2.009 -5.567 1.561 1.00 91.87 18 A 1 ATOM 144 C CG2 . THR A 1 18 ? -1.083 -7.329 0.239 1.00 87.84 18 A 1 ATOM 145 N N . LEU A 1 19 ? 2.283 -6.411 1.504 1.00 96.74 19 A 1 ATOM 146 C CA . LEU A 1 19 ? 3.575 -6.899 1.035 1.00 96.02 19 A 1 ATOM 147 C C . LEU A 1 19 ? 4.347 -7.583 2.156 1.00 95.88 19 A 1 ATOM 148 O O . LEU A 1 19 ? 4.975 -8.618 1.944 1.00 95.05 19 A 1 ATOM 149 C CB . LEU A 1 19 ? 4.402 -5.744 0.466 1.00 95.56 19 A 1 ATOM 150 C CG . LEU A 1 19 ? 3.867 -5.157 -0.836 1.00 90.12 19 A 1 ATOM 151 C CD1 . LEU A 1 19 ? 4.681 -3.935 -1.233 1.00 85.97 19 A 1 ATOM 152 C CD2 . LEU A 1 19 ? 3.905 -6.193 -1.952 1.00 86.79 19 A 1 ATOM 153 N N . TRP A 1 20 ? 4.288 -7.009 3.343 1.00 96.31 20 A 1 ATOM 154 C CA . TRP A 1 20 ? 4.973 -7.576 4.497 1.00 95.93 20 A 1 ATOM 155 C C . TRP A 1 20 ? 4.375 -8.927 4.854 1.00 96.17 20 A 1 ATOM 156 O O . TRP A 1 20 ? 5.096 -9.888 5.122 1.00 94.91 20 A 1 ATOM 157 C CB . TRP A 1 20 ? 4.874 -6.620 5.687 1.00 95.24 20 A 1 ATOM 158 C CG . TRP A 1 20 ? 5.989 -6.778 6.677 1.00 91.40 20 A 1 ATOM 159 C CD1 . TRP A 1 20 ? 6.380 -7.923 7.288 1.00 81.41 20 A 1 ATOM 160 C CD2 . TRP A 1 20 ? 6.870 -5.751 7.172 1.00 86.66 20 A 1 ATOM 161 N NE1 . TRP A 1 20 ? 7.442 -7.685 8.119 1.00 81.62 20 A 1 ATOM 162 C CE2 . TRP A 1 20 ? 7.772 -6.351 8.075 1.00 86.69 20 A 1 ATOM 163 C CE3 . TRP A 1 20 ? 6.988 -4.378 6.938 1.00 80.56 20 A 1 ATOM 164 C CZ2 . TRP A 1 20 ? 8.765 -5.624 8.734 1.00 82.39 20 A 1 ATOM 165 C CZ3 . TRP A 1 20 ? 7.971 -3.651 7.596 1.00 74.09 20 A 1 ATOM 166 C CH2 . TRP A 1 20 ? 8.855 -4.272 8.486 1.00 75.83 20 A 1 ATOM 167 N N . SER A 1 21 ? 3.063 -9.011 4.840 1.00 96.32 21 A 1 ATOM 168 C CA . SER A 1 21 ? 2.362 -10.253 5.135 1.00 95.74 21 A 1 ATOM 169 C C . SER A 1 21 ? 2.674 -11.320 4.091 1.00 95.76 21 A 1 ATOM 170 O O . SER A 1 21 ? 2.808 -12.499 4.414 1.00 93.85 21 A 1 ATOM 171 C CB . SER A 1 21 ? 0.858 -10.009 5.194 1.00 94.16 21 A 1 ATOM 172 O OG . SER A 1 21 ? 0.177 -11.199 5.532 1.00 79.78 21 A 1 ATOM 173 N N . SER A 1 22 ? 2.813 -10.900 2.836 1.00 96.25 22 A 1 ATOM 174 C CA . SER A 1 22 ? 3.124 -11.805 1.732 1.00 95.90 22 A 1 ATOM 175 C C . SER A 1 22 ? 4.606 -12.168 1.701 1.00 95.70 22 A 1 ATOM 176 O O . SER A 1 22 ? 5.004 -13.147 1.071 1.00 92.49 22 A 1 ATOM 177 C CB . SER A 1 22 ? 2.720 -11.171 0.406 1.00 93.93 22 A 1 ATOM 178 O OG . SER A 1 22 ? 2.942 -12.065 -0.668 1.00 80.16 22 A 1 ATOM 179 N N . GLY A 1 23 ? 5.430 -11.383 2.396 1.00 94.86 23 A 1 ATOM 180 C CA . GLY A 1 23 ? 6.867 -11.617 2.420 1.00 93.85 23 A 1 ATOM 181 C C . GLY A 1 23 ? 7.575 -11.037 1.216 1.00 93.76 23 A 1 ATOM 182 O O . GLY A 1 23 ? 8.755 -11.302 0.991 1.00 91.17 23 A 1 ATOM 183 N N . LYS A 1 24 ? 6.855 -10.237 0.444 1.00 93.82 24 A 1 ATOM 184 C CA . LYS A 1 24 ? 7.416 -9.627 -0.759 1.00 93.17 24 A 1 ATOM 185 C C . LYS A 1 24 ? 7.674 -8.145 -0.532 1.00 92.11 24 A 1 ATOM 186 O O . LYS A 1 24 ? 7.114 -7.286 -1.210 1.00 90.02 24 A 1 ATOM 187 C CB . LYS A 1 24 ? 6.480 -9.836 -1.951 1.00 92.26 24 A 1 ATOM 188 C CG . LYS A 1 24 ? 6.222 -11.298 -2.245 1.00 84.63 24 A 1 ATOM 189 C CD . LYS A 1 24 ? 5.333 -11.477 -3.462 1.00 79.84 24 A 1 ATOM 190 C CE . LYS A 1 24 ? 6.037 -11.054 -4.743 1.00 73.31 24 A 1 ATOM 191 N NZ . LYS A 1 24 ? 5.222 -11.371 -5.942 1.00 65.80 24 A 1 ATOM 192 N N . VAL A 1 25 ? 8.525 -7.853 0.442 1.00 91.60 25 A 1 ATOM 193 C CA . VAL A 1 25 ? 8.888 -6.477 0.765 1.00 90.31 25 A 1 ATOM 194 C C . VAL A 1 25 ? 9.720 -5.862 -0.354 1.00 90.19 25 A 1 ATOM 195 O O . VAL A 1 25 ? 10.431 -6.566 -1.076 1.00 87.91 25 A 1 ATOM 196 C CB . VAL A 1 25 ? 9.671 -6.402 2.087 1.00 87.77 25 A 1 ATOM 197 C CG1 . VAL A 1 25 ? 8.784 -6.814 3.246 1.00 81.29 25 A 1 ATOM 198 C CG2 . VAL A 1 25 ? 10.912 -7.279 2.032 1.00 82.50 25 A 1 ATOM 199 N N . LEU A 1 26 ? 9.635 -4.536 -0.489 1.00 87.49 26 A 1 ATOM 200 C CA . LEU A 1 26 ? 10.361 -3.817 -1.534 1.00 85.63 26 A 1 ATOM 201 C C . LEU A 1 26 ? 11.738 -3.358 -1.053 1.00 86.45 26 A 1 ATOM 202 O O . LEU A 1 26 ? 12.414 -2.584 -1.730 1.00 84.70 26 A 1 ATOM 203 C CB . LEU A 1 26 ? 9.534 -2.614 -2.007 1.00 84.05 26 A 1 ATOM 204 C CG . LEU A 1 26 ? 8.177 -2.972 -2.604 1.00 79.46 26 A 1 ATOM 205 C CD1 . LEU A 1 26 ? 7.396 -1.714 -2.940 1.00 74.94 26 A 1 ATOM 206 C CD2 . LEU A 1 26 ? 8.356 -3.825 -3.853 1.00 70.77 26 A 1 ATOM 207 N N . SER A 1 27 ? 12.131 -3.850 0.127 1.00 79.76 27 A 1 ATOM 208 C CA . SER A 1 27 ? 13.416 -3.473 0.722 1.00 79.48 27 A 1 ATOM 209 C C . SER A 1 27 ? 14.552 -4.296 0.122 1.00 75.12 27 A 1 ATOM 210 O O . SER A 1 27 ? 15.013 -5.263 0.755 1.00 68.88 27 A 1 ATOM 211 C CB . SER A 1 27 ? 13.377 -3.655 2.232 1.00 72.42 27 A 1 ATOM 212 O OG . SER A 1 27 ? 12.336 -2.892 2.799 1.00 65.58 27 A 1 ATOM 213 O OXT . SER A 1 27 ? 14.993 -3.982 -0.988 1.00 67.84 27 A 1 #