# 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_spkb34066 # _entry.id spkb34066 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-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 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" "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 SER 2 1 n LYS 3 1 n LEU 4 1 n TRP 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n VAL 11 1 n ALA 12 1 n ALA 13 1 n PHE 14 1 n GLN 15 1 n ALA 16 1 n VAL 17 1 n HIS 18 1 n SER 19 # _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 @ 2025-07-11 15:43:55)" _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 91.98 _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 79.01 1 1 A SER 2 2 90.48 1 2 A LYS 3 2 90.26 1 3 A LEU 4 2 93.36 1 4 A TRP 5 2 90.36 1 5 A LEU 6 2 93.65 1 6 A LEU 7 2 93.73 1 7 A LEU 8 2 93.58 1 8 A LEU 9 2 94.85 1 9 A LEU 10 2 94.20 1 10 A VAL 11 2 97.18 1 11 A ALA 12 2 97.86 1 12 A ALA 13 2 98.03 1 13 A PHE 14 2 94.38 1 14 A GLN 15 2 91.44 1 15 A ALA 16 2 97.82 1 16 A VAL 17 2 95.67 1 17 A HIS 18 2 87.90 1 18 A SER 19 2 81.48 1 19 # _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 SER . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n LEU . 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 VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n HIS . 18 A 18 A 19 1 n SER . 19 A 19 # _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 ? -12.690 5.693 8.644 1.00 86.20 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.836 4.261 8.981 1.00 86.86 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.758 3.432 8.290 1.00 87.50 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.133 2.573 8.905 1.00 83.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.217 3.761 8.556 1.00 80.09 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.318 4.405 9.384 1.00 74.14 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.941 3.855 8.874 1.00 71.74 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.941 4.827 9.982 1.00 62.24 1 A 1 ATOM 9 N N . SER A 1 2 ? -11.539 3.699 7.026 1.00 89.70 2 A 1 ATOM 10 C CA . SER A 1 2 ? -10.525 2.973 6.262 1.00 94.14 2 A 1 ATOM 11 C C . SER A 1 2 ? -9.288 3.830 6.015 1.00 95.88 2 A 1 ATOM 12 O O . SER A 1 2 ? -8.644 3.732 4.973 1.00 94.46 2 A 1 ATOM 13 C CB . SER A 1 2 ? -11.112 2.512 4.935 1.00 89.78 2 A 1 ATOM 14 O OG . SER A 1 2 ? -12.187 1.626 5.140 1.00 78.94 2 A 1 ATOM 15 N N . LYS A 1 3 ? -8.962 4.654 6.976 1.00 95.54 3 A 1 ATOM 16 C CA . LYS A 1 3 ? -7.798 5.534 6.850 1.00 96.84 3 A 1 ATOM 17 C C . LYS A 1 3 ? -6.516 4.709 6.805 1.00 97.45 3 A 1 ATOM 18 O O . LYS A 1 3 ? -5.597 5.021 6.051 1.00 97.18 3 A 1 ATOM 19 C CB . LYS A 1 3 ? -7.760 6.509 8.029 1.00 96.17 3 A 1 ATOM 20 C CG . LYS A 1 3 ? -6.879 7.708 7.746 1.00 90.98 3 A 1 ATOM 21 C CD . LYS A 1 3 ? -6.149 8.142 8.990 1.00 86.10 3 A 1 ATOM 22 C CE . LYS A 1 3 ? -5.174 9.261 8.703 1.00 79.54 3 A 1 ATOM 23 N NZ . LYS A 1 3 ? -4.309 9.509 9.891 1.00 72.53 3 A 1 ATOM 24 N N . LEU A 1 4 ? -6.465 3.659 7.602 1.00 96.45 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -5.301 2.779 7.636 1.00 96.90 4 A 1 ATOM 26 C C . LEU A 1 4 ? -5.086 2.126 6.281 1.00 97.51 4 A 1 ATOM 27 O O . LEU A 1 4 ? -3.960 1.873 5.868 1.00 97.21 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -5.486 1.705 8.717 1.00 96.36 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -4.495 1.822 9.873 1.00 90.55 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -3.077 1.596 9.386 1.00 86.37 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -4.621 3.175 10.545 1.00 85.50 4 A 1 ATOM 32 N N . TRP A 1 5 ? -6.181 1.836 5.606 1.00 96.34 5 A 1 ATOM 33 C CA . TRP A 1 5 ? -6.115 1.221 4.284 1.00 96.48 5 A 1 ATOM 34 C C . TRP A 1 5 ? -5.374 2.137 3.315 1.00 97.11 5 A 1 ATOM 35 O O . TRP A 1 5 ? -4.539 1.683 2.535 1.00 96.66 5 A 1 ATOM 36 C CB . TRP A 1 5 ? -7.533 0.946 3.787 1.00 95.79 5 A 1 ATOM 37 C CG . TRP A 1 5 ? -7.553 0.061 2.587 1.00 92.28 5 A 1 ATOM 38 C CD1 . TRP A 1 5 ? -8.089 0.366 1.373 1.00 87.46 5 A 1 ATOM 39 C CD2 . TRP A 1 5 ? -7.013 -1.269 2.461 1.00 90.02 5 A 1 ATOM 40 N NE1 . TRP A 1 5 ? -7.918 -0.698 0.509 1.00 85.54 5 A 1 ATOM 41 C CE2 . TRP A 1 5 ? -7.257 -1.714 1.154 1.00 89.62 5 A 1 ATOM 42 C CE3 . TRP A 1 5 ? -6.349 -2.125 3.347 1.00 84.56 5 A 1 ATOM 43 C CZ2 . TRP A 1 5 ? -6.857 -2.982 0.713 1.00 87.57 5 A 1 ATOM 44 C CZ3 . TRP A 1 5 ? -5.950 -3.389 2.907 1.00 82.50 5 A 1 ATOM 45 C CH2 . TRP A 1 5 ? -6.206 -3.804 1.601 1.00 83.17 5 A 1 ATOM 46 N N . LEU A 1 6 ? -5.674 3.430 3.384 1.00 96.76 6 A 1 ATOM 47 C CA . LEU A 1 6 ? -5.025 4.405 2.513 1.00 97.07 6 A 1 ATOM 48 C C . LEU A 1 6 ? -3.541 4.516 2.848 1.00 97.60 6 A 1 ATOM 49 O O . LEU A 1 6 ? -2.701 4.585 1.949 1.00 97.62 6 A 1 ATOM 50 C CB . LEU A 1 6 ? -5.703 5.767 2.668 1.00 96.86 6 A 1 ATOM 51 C CG . LEU A 1 6 ? -7.094 5.833 2.048 1.00 89.50 6 A 1 ATOM 52 C CD1 . LEU A 1 6 ? -7.859 7.025 2.585 1.00 86.45 6 A 1 ATOM 53 C CD2 . LEU A 1 6 ? -6.982 5.925 0.529 1.00 87.37 6 A 1 ATOM 54 N N . LEU A 1 7 ? -3.222 4.526 4.128 1.00 97.21 7 A 1 ATOM 55 C CA . LEU A 1 7 ? -1.833 4.605 4.570 1.00 97.35 7 A 1 ATOM 56 C C . LEU A 1 7 ? -1.053 3.381 4.113 1.00 97.72 7 A 1 ATOM 57 O O . LEU A 1 7 ? 0.079 3.499 3.642 1.00 97.69 7 A 1 ATOM 58 C CB . LEU A 1 7 ? -1.790 4.711 6.093 1.00 97.11 7 A 1 ATOM 59 C CG . LEU A 1 7 ? -2.096 6.114 6.604 1.00 88.39 7 A 1 ATOM 60 C CD1 . LEU A 1 7 ? -2.458 6.072 8.080 1.00 86.62 7 A 1 ATOM 61 C CD2 . LEU A 1 7 ? -0.887 7.019 6.396 1.00 87.76 7 A 1 ATOM 62 N N . LEU A 1 8 ? -1.662 2.223 4.254 1.00 97.45 8 A 1 ATOM 63 C CA . LEU A 1 8 ? -1.022 0.981 3.836 1.00 97.41 8 A 1 ATOM 64 C C . LEU A 1 8 ? -0.763 0.991 2.338 1.00 97.75 8 A 1 ATOM 65 O O . LEU A 1 8 ? 0.292 0.545 1.880 1.00 97.80 8 A 1 ATOM 66 C CB . LEU A 1 8 ? -1.914 -0.203 4.205 1.00 97.04 8 A 1 ATOM 67 C CG . LEU A 1 8 ? -1.771 -0.629 5.662 1.00 87.66 8 A 1 ATOM 68 C CD1 . LEU A 1 8 ? -2.974 -1.442 6.099 1.00 86.22 8 A 1 ATOM 69 C CD2 . LEU A 1 8 ? -0.497 -1.441 5.848 1.00 87.34 8 A 1 ATOM 70 N N . LEU A 1 9 ? -1.713 1.486 1.590 1.00 97.83 9 A 1 ATOM 71 C CA . LEU A 1 9 ? -1.585 1.561 0.137 1.00 97.84 9 A 1 ATOM 72 C C . LEU A 1 9 ? -0.413 2.461 -0.243 1.00 98.07 9 A 1 ATOM 73 O O . LEU A 1 9 ? 0.383 2.120 -1.121 1.00 97.97 9 A 1 ATOM 74 C CB . LEU A 1 9 ? -2.883 2.099 -0.462 1.00 97.57 9 A 1 ATOM 75 C CG . LEU A 1 9 ? -3.011 1.826 -1.960 1.00 90.82 9 A 1 ATOM 76 C CD1 . LEU A 1 9 ? -3.493 0.397 -2.193 1.00 89.07 9 A 1 ATOM 77 C CD2 . LEU A 1 9 ? -3.977 2.809 -2.591 1.00 89.60 9 A 1 ATOM 78 N N . LEU A 1 10 ? -0.307 3.589 0.417 1.00 97.62 10 A 1 ATOM 79 C CA . LEU A 1 10 ? 0.769 4.539 0.160 1.00 97.61 10 A 1 ATOM 80 C C . LEU A 1 10 ? 2.126 3.921 0.469 1.00 97.81 10 A 1 ATOM 81 O O . LEU A 1 10 ? 3.057 4.014 -0.335 1.00 97.62 10 A 1 ATOM 82 C CB . LEU A 1 10 ? 0.562 5.790 1.012 1.00 97.32 10 A 1 ATOM 83 C CG . LEU A 1 10 ? 1.371 6.989 0.526 1.00 89.88 10 A 1 ATOM 84 C CD1 . LEU A 1 10 ? 0.656 7.673 -0.631 1.00 87.21 10 A 1 ATOM 85 C CD2 . LEU A 1 10 ? 1.587 7.974 1.662 1.00 88.56 10 A 1 ATOM 86 N N . VAL A 1 11 ? 2.238 3.297 1.620 1.00 98.08 11 A 1 ATOM 87 C CA . VAL A 1 11 ? 3.485 2.656 2.031 1.00 97.91 11 A 1 ATOM 88 C C . VAL A 1 11 ? 3.836 1.521 1.083 1.00 98.01 11 A 1 ATOM 89 O O . VAL A 1 11 ? 5.002 1.341 0.722 1.00 97.71 11 A 1 ATOM 90 C CB . VAL A 1 11 ? 3.378 2.136 3.470 1.00 97.42 11 A 1 ATOM 91 C CG1 . VAL A 1 11 ? 4.639 1.379 3.858 1.00 95.53 11 A 1 ATOM 92 C CG2 . VAL A 1 11 ? 3.151 3.287 4.426 1.00 95.61 11 A 1 ATOM 93 N N . ALA A 1 12 ? 2.837 0.753 0.703 1.00 98.04 12 A 1 ATOM 94 C CA . ALA A 1 12 ? 3.048 -0.365 -0.212 1.00 97.95 12 A 1 ATOM 95 C C . ALA A 1 12 ? 3.612 0.128 -1.539 1.00 98.10 12 A 1 ATOM 96 O O . ALA A 1 12 ? 4.518 -0.487 -2.102 1.00 97.60 12 A 1 ATOM 97 C CB . ALA A 1 12 ? 1.734 -1.099 -0.448 1.00 97.61 12 A 1 ATOM 98 N N . ALA A 1 13 ? 3.076 1.223 -2.029 1.00 98.27 13 A 1 ATOM 99 C CA . ALA A 1 13 ? 3.544 1.795 -3.286 1.00 98.20 13 A 1 ATOM 100 C C . ALA A 1 13 ? 5.000 2.233 -3.160 1.00 98.22 13 A 1 ATOM 101 O O . ALA A 1 13 ? 5.812 1.980 -4.053 1.00 97.53 13 A 1 ATOM 102 C CB . ALA A 1 13 ? 2.664 2.976 -3.676 1.00 97.91 13 A 1 ATOM 103 N N . PHE A 1 14 ? 5.324 2.861 -2.054 1.00 97.82 14 A 1 ATOM 104 C CA . PHE A 1 14 ? 6.689 3.302 -1.797 1.00 97.71 14 A 1 ATOM 105 C C . PHE A 1 14 ? 7.642 2.116 -1.756 1.00 97.80 14 A 1 ATOM 106 O O . PHE A 1 14 ? 8.725 2.157 -2.340 1.00 97.24 14 A 1 ATOM 107 C CB . PHE A 1 14 ? 6.738 4.061 -0.472 1.00 97.36 14 A 1 ATOM 108 C CG . PHE A 1 14 ? 8.126 4.546 -0.145 1.00 95.20 14 A 1 ATOM 109 C CD1 . PHE A 1 14 ? 8.661 5.634 -0.812 1.00 91.54 14 A 1 ATOM 110 C CD2 . PHE A 1 14 ? 8.885 3.903 0.820 1.00 92.11 14 A 1 ATOM 111 C CE1 . PHE A 1 14 ? 9.938 6.082 -0.517 1.00 90.22 14 A 1 ATOM 112 C CE2 . PHE A 1 14 ? 10.169 4.348 1.115 1.00 90.68 14 A 1 ATOM 113 C CZ . PHE A 1 14 ? 10.693 5.436 0.445 1.00 90.46 14 A 1 ATOM 114 N N . GLN A 1 15 ? 7.241 1.065 -1.065 1.00 98.15 15 A 1 ATOM 115 C CA . GLN A 1 15 ? 8.060 -0.137 -0.957 1.00 97.92 15 A 1 ATOM 116 C C . GLN A 1 15 ? 8.256 -0.780 -2.318 1.00 97.94 15 A 1 ATOM 117 O O . GLN A 1 15 ? 9.345 -1.252 -2.639 1.00 96.88 15 A 1 ATOM 118 C CB . GLN A 1 15 ? 7.398 -1.132 0.001 1.00 97.29 15 A 1 ATOM 119 C CG . GLN A 1 15 ? 7.713 -0.798 1.450 1.00 91.25 15 A 1 ATOM 120 C CD . GLN A 1 15 ? 9.145 -1.165 1.798 1.00 86.75 15 A 1 ATOM 121 O OE1 . GLN A 1 15 ? 9.624 -2.226 1.431 1.00 79.73 15 A 1 ATOM 122 N NE2 . GLN A 1 15 ? 9.829 -0.293 2.503 1.00 77.09 15 A 1 ATOM 123 N N . ALA A 1 16 ? 7.209 -0.801 -3.112 1.00 98.23 16 A 1 ATOM 124 C CA . ALA A 1 16 ? 7.278 -1.388 -4.445 1.00 98.11 16 A 1 ATOM 125 C C . ALA A 1 16 ? 8.301 -0.656 -5.308 1.00 98.13 16 A 1 ATOM 126 O O . ALA A 1 16 ? 9.073 -1.283 -6.034 1.00 97.12 16 A 1 ATOM 127 C CB . ALA A 1 16 ? 5.907 -1.344 -5.104 1.00 97.52 16 A 1 ATOM 128 N N . VAL A 1 17 ? 8.310 0.660 -5.224 1.00 98.19 17 A 1 ATOM 129 C CA . VAL A 1 17 ? 9.254 1.476 -5.985 1.00 97.91 17 A 1 ATOM 130 C C . VAL A 1 17 ? 10.658 1.361 -5.406 1.00 97.60 17 A 1 ATOM 131 O O . VAL A 1 17 ? 11.636 1.197 -6.143 1.00 95.47 17 A 1 ATOM 132 C CB . VAL A 1 17 ? 8.809 2.944 -6.000 1.00 97.07 17 A 1 ATOM 133 C CG1 . VAL A 1 17 ? 9.844 3.803 -6.713 1.00 91.41 17 A 1 ATOM 134 C CG2 . VAL A 1 17 ? 7.464 3.082 -6.683 1.00 92.04 17 A 1 ATOM 135 N N . HIS A 1 18 ? 10.736 1.442 -4.094 1.00 97.04 18 A 1 ATOM 136 C CA . HIS A 1 18 ? 12.015 1.350 -3.399 1.00 96.08 18 A 1 ATOM 137 C C . HIS A 1 18 ? 12.263 -0.079 -2.914 1.00 95.04 18 A 1 ATOM 138 O O . HIS A 1 18 ? 12.431 -0.335 -1.724 1.00 91.45 18 A 1 ATOM 139 C CB . HIS A 1 18 ? 12.033 2.311 -2.213 1.00 94.31 18 A 1 ATOM 140 C CG . HIS A 1 18 ? 13.371 2.386 -1.550 1.00 89.62 18 A 1 ATOM 141 N ND1 . HIS A 1 18 ? 14.477 2.900 -2.163 1.00 78.31 18 A 1 ATOM 142 C CD2 . HIS A 1 18 ? 13.762 1.997 -0.313 1.00 77.86 18 A 1 ATOM 143 C CE1 . HIS A 1 18 ? 15.502 2.822 -1.323 1.00 78.96 18 A 1 ATOM 144 N NE2 . HIS A 1 18 ? 15.098 2.288 -0.190 1.00 80.28 18 A 1 ATOM 145 N N . SER A 1 19 ? 12.300 -0.997 -3.848 1.00 92.01 19 A 1 ATOM 146 C CA . SER A 1 19 ? 12.533 -2.405 -3.525 1.00 88.53 19 A 1 ATOM 147 C C . SER A 1 19 ? 14.020 -2.735 -3.584 1.00 83.30 19 A 1 ATOM 148 O O . SER A 1 19 ? 14.385 -3.877 -3.901 1.00 75.16 19 A 1 ATOM 149 C CB . SER A 1 19 ? 11.752 -3.306 -4.482 1.00 82.31 19 A 1 ATOM 150 O OG . SER A 1 19 ? 10.404 -3.395 -4.089 1.00 74.27 19 A 1 ATOM 151 O OXT . SER A 1 19 ? 14.854 -1.839 -3.315 1.00 74.80 19 A 1 #