# 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_spkb36109 # _entry.id spkb36109 # 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 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" "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 ARG 2 1 n PHE 3 1 n LEU 4 1 n ILE 5 1 n SER 6 1 n SER 7 1 n LEU 8 1 n LEU 9 1 n SER 10 1 n GLY 11 1 n LEU 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n THR 16 1 n SER 17 1 n LEU 18 1 n HIS 19 1 n ALA 20 1 n PHE 21 1 n VAL 22 1 n LEU 23 1 n ALA 24 # _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 @ 2025-07-08 01:12:34)" _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 92.28 _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 86.67 1 1 A ARG 2 2 82.19 1 2 A PHE 3 2 82.58 1 3 A LEU 4 2 89.28 1 4 A ILE 5 2 88.40 1 5 A SER 6 2 94.38 1 6 A SER 7 2 94.84 1 7 A LEU 8 2 94.52 1 8 A LEU 9 2 94.34 1 9 A SER 10 2 95.92 1 10 A GLY 11 2 97.57 1 11 A LEU 12 2 94.39 1 12 A ALA 13 2 97.60 1 13 A LEU 14 2 94.15 1 14 A LEU 15 2 95.45 1 15 A THR 16 2 94.68 1 16 A SER 17 2 96.18 1 17 A LEU 18 2 95.28 1 18 A HIS 19 2 93.03 1 19 A ALA 20 2 97.85 1 20 A PHE 21 2 94.71 1 21 A VAL 22 2 96.00 1 22 A LEU 23 2 92.47 1 23 A ALA 24 2 87.96 1 24 # _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 ARG . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n HIS . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? 0.006 -2.475 19.782 1.00 92.45 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.585 -1.577 18.774 1.00 93.44 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.589 -2.248 17.402 1.00 93.98 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.631 -2.424 16.780 1.00 92.15 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.011 -1.194 19.170 1.00 89.05 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.056 -0.407 20.468 1.00 84.05 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.730 0.028 20.954 1.00 79.76 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.392 0.939 22.451 1.00 68.47 1 A 1 ATOM 9 N N . ARG A 1 2 ? -0.588 -2.610 16.963 1.00 89.33 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -0.763 -3.266 15.671 1.00 92.65 2 A 1 ATOM 11 C C . ARG A 1 2 ? -0.898 -2.253 14.539 1.00 94.05 2 A 1 ATOM 12 O O . ARG A 1 2 ? -1.148 -2.628 13.394 1.00 91.35 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -1.985 -4.182 15.719 1.00 89.24 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -3.258 -3.447 16.089 1.00 83.15 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -4.142 -3.238 14.868 1.00 83.43 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -4.837 -4.486 14.521 1.00 75.73 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -5.696 -4.612 13.527 1.00 73.14 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -5.959 -3.591 12.738 1.00 65.86 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -6.304 -5.768 13.322 1.00 66.16 2 A 1 ATOM 20 N N . PHE A 1 3 ? -0.738 -0.971 14.883 1.00 84.67 3 A 1 ATOM 21 C CA . PHE A 1 3 ? -0.866 0.104 13.907 1.00 87.34 3 A 1 ATOM 22 C C . PHE A 1 3 ? 0.182 -0.015 12.811 1.00 91.97 3 A 1 ATOM 23 O O . PHE A 1 3 ? -0.042 0.426 11.680 1.00 89.33 3 A 1 ATOM 24 C CB . PHE A 1 3 ? -0.733 1.464 14.596 1.00 84.74 3 A 1 ATOM 25 C CG . PHE A 1 3 ? -1.763 1.681 15.671 1.00 82.80 3 A 1 ATOM 26 C CD1 . PHE A 1 3 ? -3.103 1.806 15.338 1.00 79.47 3 A 1 ATOM 27 C CD2 . PHE A 1 3 ? -1.389 1.759 16.997 1.00 78.61 3 A 1 ATOM 28 C CE1 . PHE A 1 3 ? -4.059 2.004 16.320 1.00 76.47 3 A 1 ATOM 29 C CE2 . PHE A 1 3 ? -2.338 1.956 17.986 1.00 76.92 3 A 1 ATOM 30 C CZ . PHE A 1 3 ? -3.677 2.079 17.648 1.00 76.01 3 A 1 ATOM 31 N N . LEU A 1 4 ? 1.313 -0.619 13.141 1.00 91.96 4 A 1 ATOM 32 C CA . LEU A 1 4 ? 2.379 -0.830 12.167 1.00 92.79 4 A 1 ATOM 33 C C . LEU A 1 4 ? 1.887 -1.704 11.022 1.00 94.27 4 A 1 ATOM 34 O O . LEU A 1 4 ? 2.093 -1.394 9.846 1.00 93.24 4 A 1 ATOM 35 C CB . LEU A 1 4 ? 3.588 -1.475 12.844 1.00 92.11 4 A 1 ATOM 36 C CG . LEU A 1 4 ? 4.201 -0.635 13.961 1.00 86.79 4 A 1 ATOM 37 C CD1 . LEU A 1 4 ? 5.308 -1.413 14.655 1.00 82.26 4 A 1 ATOM 38 C CD2 . LEU A 1 4 ? 4.742 0.675 13.411 1.00 80.84 4 A 1 ATOM 39 N N . ILE A 1 5 ? 1.220 -2.784 11.380 1.00 91.30 5 A 1 ATOM 40 C CA . ILE A 1 5 ? 0.671 -3.703 10.388 1.00 90.44 5 A 1 ATOM 41 C C . ILE A 1 5 ? -0.430 -3.016 9.588 1.00 90.60 5 A 1 ATOM 42 O O . ILE A 1 5 ? -0.498 -3.134 8.359 1.00 89.68 5 A 1 ATOM 43 C CB . ILE A 1 5 ? 0.128 -4.969 11.061 1.00 90.70 5 A 1 ATOM 44 C CG1 . ILE A 1 5 ? 1.222 -5.641 11.897 1.00 88.15 5 A 1 ATOM 45 C CG2 . ILE A 1 5 ? -0.406 -5.932 10.006 1.00 86.31 5 A 1 ATOM 46 C CD1 . ILE A 1 5 ? 0.707 -6.787 12.748 1.00 80.01 5 A 1 ATOM 47 N N . SER A 1 6 ? -1.288 -2.286 10.289 1.00 97.09 6 A 1 ATOM 48 C CA . SER A 1 6 ? -2.380 -1.563 9.646 1.00 96.56 6 A 1 ATOM 49 C C . SER A 1 6 ? -1.850 -0.504 8.685 1.00 96.79 6 A 1 ATOM 50 O O . SER A 1 6 ? -2.387 -0.317 7.593 1.00 95.87 6 A 1 ATOM 51 C CB . SER A 1 6 ? -3.268 -0.906 10.696 1.00 95.46 6 A 1 ATOM 52 O OG . SER A 1 6 ? -3.796 -1.877 11.577 1.00 84.48 6 A 1 ATOM 53 N N . SER A 1 7 ? -0.785 0.175 9.098 1.00 96.33 7 A 1 ATOM 54 C CA . SER A 1 7 ? -0.166 1.205 8.269 1.00 96.67 7 A 1 ATOM 55 C C . SER A 1 7 ? 0.398 0.601 6.990 1.00 97.41 7 A 1 ATOM 56 O O . SER A 1 7 ? 0.231 1.158 5.904 1.00 96.83 7 A 1 ATOM 57 C CB . SER A 1 7 ? 0.944 1.916 9.040 1.00 95.78 7 A 1 ATOM 58 O OG . SER A 1 7 ? 0.415 2.568 10.179 1.00 86.01 7 A 1 ATOM 59 N N . LEU A 1 8 ? 1.041 -0.554 7.127 1.00 96.36 8 A 1 ATOM 60 C CA . LEU A 1 8 ? 1.598 -1.250 5.974 1.00 96.76 8 A 1 ATOM 61 C C . LEU A 1 8 ? 0.496 -1.660 5.010 1.00 97.24 8 A 1 ATOM 62 O O . LEU A 1 8 ? 0.636 -1.519 3.792 1.00 96.85 8 A 1 ATOM 63 C CB . LEU A 1 8 ? 2.379 -2.480 6.434 1.00 96.83 8 A 1 ATOM 64 C CG . LEU A 1 8 ? 3.690 -2.152 7.145 1.00 93.52 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? 4.273 -3.402 7.785 1.00 89.38 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? 4.692 -1.552 6.169 1.00 89.19 8 A 1 ATOM 67 N N . LEU A 1 9 ? -0.593 -2.152 5.559 1.00 96.92 9 A 1 ATOM 68 C CA . LEU A 1 9 ? -1.735 -2.562 4.750 1.00 96.60 9 A 1 ATOM 69 C C . LEU A 1 9 ? -2.333 -1.373 4.011 1.00 96.86 9 A 1 ATOM 70 O O . LEU A 1 9 ? -2.659 -1.466 2.824 1.00 96.38 9 A 1 ATOM 71 C CB . LEU A 1 9 ? -2.792 -3.214 5.638 1.00 96.31 9 A 1 ATOM 72 C CG . LEU A 1 9 ? -3.981 -3.780 4.868 1.00 92.87 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? -3.556 -4.948 3.996 1.00 89.61 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? -5.073 -4.207 5.832 1.00 89.13 9 A 1 ATOM 75 N N . SER A 1 10 ? -2.469 -0.254 4.714 1.00 97.73 10 A 1 ATOM 76 C CA . SER A 1 10 ? -3.016 0.964 4.128 1.00 97.69 10 A 1 ATOM 77 C C . SER A 1 10 ? -2.121 1.485 3.013 1.00 97.99 10 A 1 ATOM 78 O O . SER A 1 10 ? -2.597 1.852 1.937 1.00 97.21 10 A 1 ATOM 79 C CB . SER A 1 10 ? -3.182 2.035 5.201 1.00 96.76 10 A 1 ATOM 80 O OG . SER A 1 10 ? -3.799 3.183 4.661 1.00 88.15 10 A 1 ATOM 81 N N . GLY A 1 11 ? -0.817 1.502 3.275 1.00 97.11 11 A 1 ATOM 82 C CA . GLY A 1 11 ? 0.142 1.949 2.272 1.00 97.42 11 A 1 ATOM 83 C C . GLY A 1 11 ? 0.139 1.056 1.051 1.00 98.06 11 A 1 ATOM 84 O O . GLY A 1 11 ? 0.194 1.533 -0.085 1.00 97.70 11 A 1 ATOM 85 N N . LEU A 1 12 ? 0.050 -0.247 1.288 1.00 97.20 12 A 1 ATOM 86 C CA . LEU A 1 12 ? 0.008 -1.216 0.203 1.00 97.11 12 A 1 ATOM 87 C C . LEU A 1 12 ? -1.249 -1.028 -0.633 1.00 97.61 12 A 1 ATOM 88 O O . LEU A 1 12 ? -1.211 -1.144 -1.858 1.00 97.21 12 A 1 ATOM 89 C CB . LEU A 1 12 ? 0.060 -2.631 0.768 1.00 96.67 12 A 1 ATOM 90 C CG . LEU A 1 12 ? 0.194 -3.713 -0.295 1.00 92.15 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? 1.527 -3.611 -1.008 1.00 88.51 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? 0.030 -5.088 0.339 1.00 88.63 12 A 1 ATOM 93 N N . ALA A 1 13 ? -2.355 -0.734 0.026 1.00 97.75 13 A 1 ATOM 94 C CA . ALA A 1 13 ? -3.621 -0.501 -0.658 1.00 97.78 13 A 1 ATOM 95 C C . ALA A 1 13 ? -3.527 0.706 -1.583 1.00 98.03 13 A 1 ATOM 96 O O . ALA A 1 13 ? -4.016 0.672 -2.715 1.00 97.21 13 A 1 ATOM 97 C CB . ALA A 1 13 ? -4.736 -0.296 0.362 1.00 97.25 13 A 1 ATOM 98 N N . LEU A 1 14 ? -2.886 1.761 -1.107 1.00 97.29 14 A 1 ATOM 99 C CA . LEU A 1 14 ? -2.698 2.966 -1.905 1.00 97.08 14 A 1 ATOM 100 C C . LEU A 1 14 ? -1.831 2.675 -3.117 1.00 97.67 14 A 1 ATOM 101 O O . LEU A 1 14 ? -2.141 3.103 -4.233 1.00 97.33 14 A 1 ATOM 102 C CB . LEU A 1 14 ? -2.059 4.062 -1.054 1.00 96.81 14 A 1 ATOM 103 C CG . LEU A 1 14 ? -2.969 4.614 0.036 1.00 91.04 14 A 1 ATOM 104 C CD1 . LEU A 1 14 ? -2.185 5.523 0.970 1.00 87.67 14 A 1 ATOM 105 C CD2 . LEU A 1 14 ? -4.135 5.375 -0.576 1.00 88.30 14 A 1 ATOM 106 N N . LEU A 1 15 ? -0.761 1.940 -2.891 1.00 97.83 15 A 1 ATOM 107 C CA . LEU A 1 15 ? 0.145 1.569 -3.969 1.00 97.78 15 A 1 ATOM 108 C C . LEU A 1 15 ? -0.575 0.722 -5.005 1.00 97.90 15 A 1 ATOM 109 O O . LEU A 1 15 ? -0.411 0.918 -6.211 1.00 97.63 15 A 1 ATOM 110 C CB . LEU A 1 15 ? 1.345 0.812 -3.408 1.00 97.59 15 A 1 ATOM 111 C CG . LEU A 1 15 ? 2.398 0.448 -4.450 1.00 94.46 15 A 1 ATOM 112 C CD1 . LEU A 1 15 ? 3.022 1.694 -5.053 1.00 90.09 15 A 1 ATOM 113 C CD2 . LEU A 1 15 ? 3.470 -0.432 -3.831 1.00 90.32 15 A 1 ATOM 114 N N . THR A 1 16 ? -1.373 -0.211 -4.528 1.00 97.55 16 A 1 ATOM 115 C CA . THR A 1 16 ? -2.137 -1.089 -5.407 1.00 97.08 16 A 1 ATOM 116 C C . THR A 1 16 ? -3.126 -0.288 -6.243 1.00 97.31 16 A 1 ATOM 117 O O . THR A 1 16 ? -3.296 -0.549 -7.437 1.00 96.45 16 A 1 ATOM 118 C CB . THR A 1 16 ? -2.894 -2.142 -4.596 1.00 96.15 16 A 1 ATOM 119 O OG1 . THR A 1 16 ? -1.975 -2.883 -3.797 1.00 89.75 16 A 1 ATOM 120 C CG2 . THR A 1 16 ? -3.621 -3.106 -5.516 1.00 88.50 16 A 1 ATOM 121 N N . SER A 1 17 ? -3.762 0.697 -5.632 1.00 98.25 17 A 1 ATOM 122 C CA . SER A 1 17 ? -4.718 1.550 -6.328 1.00 98.23 17 A 1 ATOM 123 C C . SER A 1 17 ? -4.040 2.332 -7.446 1.00 98.35 17 A 1 ATOM 124 O O . SER A 1 17 ? -4.557 2.415 -8.560 1.00 97.50 17 A 1 ATOM 125 C CB . SER A 1 17 ? -5.373 2.517 -5.350 1.00 97.55 17 A 1 ATOM 126 O OG . SER A 1 17 ? -6.075 1.800 -4.352 1.00 87.21 17 A 1 ATOM 127 N N . LEU A 1 18 ? -2.877 2.884 -7.140 1.00 98.11 18 A 1 ATOM 128 C CA . LEU A 1 18 ? -2.118 3.640 -8.129 1.00 98.08 18 A 1 ATOM 129 C C . LEU A 1 18 ? -1.686 2.741 -9.278 1.00 98.22 18 A 1 ATOM 130 O O . LEU A 1 18 ? -1.801 3.108 -10.448 1.00 97.99 18 A 1 ATOM 131 C CB . LEU A 1 18 ? -0.891 4.271 -7.473 1.00 97.88 18 A 1 ATOM 132 C CG . LEU A 1 18 ? -1.216 5.394 -6.500 1.00 93.92 18 A 1 ATOM 133 C CD1 . LEU A 1 18 ? 0.021 5.800 -5.716 1.00 88.46 18 A 1 ATOM 134 C CD2 . LEU A 1 18 ? -1.777 6.597 -7.247 1.00 89.54 18 A 1 ATOM 135 N N . HIS A 1 19 ? -1.205 1.557 -8.931 1.00 97.49 19 A 1 ATOM 136 C CA . HIS A 1 19 ? -0.754 0.606 -9.937 1.00 97.11 19 A 1 ATOM 137 C C . HIS A 1 19 ? -1.912 0.171 -10.823 1.00 97.48 19 A 1 ATOM 138 O O . HIS A 1 19 ? -1.772 0.071 -12.043 1.00 97.65 19 A 1 ATOM 139 C CB . HIS A 1 19 ? -0.119 -0.610 -9.266 1.00 96.74 19 A 1 ATOM 140 C CG . HIS A 1 19 ? 0.742 -1.405 -10.196 1.00 93.62 19 A 1 ATOM 141 N ND1 . HIS A 1 19 ? 0.507 -2.715 -10.520 1.00 84.54 19 A 1 ATOM 142 C CD2 . HIS A 1 19 ? 1.855 -1.053 -10.868 1.00 87.82 19 A 1 ATOM 143 C CE1 . HIS A 1 19 ? 1.454 -3.128 -11.357 1.00 88.41 19 A 1 ATOM 144 N NE2 . HIS A 1 19 ? 2.286 -2.144 -11.588 1.00 89.44 19 A 1 ATOM 145 N N . ALA A 1 20 ? -3.062 -0.063 -10.213 1.00 98.05 20 A 1 ATOM 146 C CA . ALA A 1 20 ? -4.256 -0.451 -10.956 1.00 98.05 20 A 1 ATOM 147 C C . ALA A 1 20 ? -4.680 0.652 -11.919 1.00 98.19 20 A 1 ATOM 148 O O . ALA A 1 20 ? -5.098 0.379 -13.043 1.00 97.43 20 A 1 ATOM 149 C CB . ALA A 1 20 ? -5.385 -0.768 -9.989 1.00 97.55 20 A 1 ATOM 150 N N . PHE A 1 21 ? -4.562 1.892 -11.475 1.00 97.79 21 A 1 ATOM 151 C CA . PHE A 1 21 ? -4.902 3.036 -12.311 1.00 97.57 21 A 1 ATOM 152 C C . PHE A 1 21 ? -3.979 3.129 -13.518 1.00 97.90 21 A 1 ATOM 153 O O . PHE A 1 21 ? -4.426 3.415 -14.630 1.00 97.37 21 A 1 ATOM 154 C CB . PHE A 1 21 ? -4.823 4.321 -11.493 1.00 97.10 21 A 1 ATOM 155 C CG . PHE A 1 21 ? -5.210 5.543 -12.280 1.00 94.80 21 A 1 ATOM 156 C CD1 . PHE A 1 21 ? -6.542 5.795 -12.567 1.00 92.02 21 A 1 ATOM 157 C CD2 . PHE A 1 21 ? -4.245 6.423 -12.728 1.00 92.43 21 A 1 ATOM 158 C CE1 . PHE A 1 21 ? -6.910 6.915 -13.293 1.00 91.63 21 A 1 ATOM 159 C CE2 . PHE A 1 21 ? -4.603 7.550 -13.463 1.00 91.42 21 A 1 ATOM 160 C CZ . PHE A 1 21 ? -5.937 7.794 -13.744 1.00 91.74 21 A 1 ATOM 161 N N . VAL A 1 22 ? -2.701 2.872 -13.299 1.00 97.49 22 A 1 ATOM 162 C CA . VAL A 1 22 ? -1.719 2.904 -14.386 1.00 97.40 22 A 1 ATOM 163 C C . VAL A 1 22 ? -2.002 1.806 -15.405 1.00 97.62 22 A 1 ATOM 164 O O . VAL A 1 22 ? -1.856 2.008 -16.612 1.00 97.12 22 A 1 ATOM 165 C CB . VAL A 1 22 ? -0.288 2.759 -13.841 1.00 96.63 22 A 1 ATOM 166 C CG1 . VAL A 1 22 ? 0.722 2.634 -14.974 1.00 92.84 22 A 1 ATOM 167 C CG2 . VAL A 1 22 ? 0.063 3.952 -12.976 1.00 92.87 22 A 1 ATOM 168 N N . LEU A 1 23 ? -2.401 0.649 -14.907 1.00 96.59 23 A 1 ATOM 169 C CA . LEU A 1 23 ? -2.709 -0.479 -15.778 1.00 96.16 23 A 1 ATOM 170 C C . LEU A 1 23 ? -3.980 -0.234 -16.580 1.00 96.27 23 A 1 ATOM 171 O O . LEU A 1 23 ? -4.155 -0.792 -17.663 1.00 95.13 23 A 1 ATOM 172 C CB . LEU A 1 23 ? -2.857 -1.752 -14.945 1.00 94.98 23 A 1 ATOM 173 C CG . LEU A 1 23 ? -1.561 -2.231 -14.296 1.00 90.90 23 A 1 ATOM 174 C CD1 . LEU A 1 23 ? -1.840 -3.379 -13.341 1.00 86.76 23 A 1 ATOM 175 C CD2 . LEU A 1 23 ? -0.562 -2.663 -15.361 1.00 83.01 23 A 1 ATOM 176 N N . ALA A 1 24 ? -4.851 0.603 -16.047 1.00 93.77 24 A 1 ATOM 177 C CA . ALA A 1 24 ? -6.119 0.922 -16.699 1.00 92.31 24 A 1 ATOM 178 C C . ALA A 1 24 ? -5.898 1.890 -17.859 1.00 90.09 24 A 1 ATOM 179 O O . ALA A 1 24 ? -6.664 1.852 -18.829 1.00 86.50 24 A 1 ATOM 180 C CB . ALA A 1 24 ? -7.096 1.510 -15.687 1.00 87.88 24 A 1 ATOM 181 O OXT . ALA A 1 24 ? -4.976 2.709 -17.784 1.00 77.22 24 A 1 #