# 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_spkb08685 # _entry.id spkb08685 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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 ALA 2 1 n LEU 3 1 n VAL 4 1 n LEU 5 1 n GLU 6 1 n ILE 7 1 n PHE 8 1 n THR 9 1 n LEU 10 1 n LEU 11 1 n ALA 12 1 n SER 13 1 n ILE 14 1 n CYS 15 1 n TRP 16 1 n VAL 17 1 n SER 18 1 n ALA 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 @ 2025-07-06 14:44:53)" _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 91.77 _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 76.23 1 1 A ALA 2 2 87.42 1 2 A LEU 3 2 89.54 1 3 A VAL 4 2 94.17 1 4 A LEU 5 2 92.84 1 5 A GLU 6 2 90.39 1 6 A ILE 7 2 94.12 1 7 A PHE 8 2 91.84 1 8 A THR 9 2 93.06 1 9 A LEU 10 2 93.75 1 10 A LEU 11 2 94.49 1 11 A ALA 12 2 96.83 1 12 A SER 13 2 94.41 1 13 A ILE 14 2 95.54 1 14 A CYS 15 2 95.97 1 15 A TRP 16 2 92.01 1 16 A VAL 17 2 94.18 1 17 A SER 18 2 91.95 1 18 A ALA 19 2 86.32 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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 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 ? -14.310 5.440 -3.770 1.00 79.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.724 5.043 -2.472 1.00 83.67 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.341 4.430 -2.674 1.00 84.81 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.166 3.224 -2.553 1.00 82.52 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.641 4.032 -1.778 1.00 78.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.723 4.714 -0.973 1.00 72.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.795 3.522 -0.177 1.00 68.61 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.572 4.565 1.041 1.00 60.30 1 A 1 ATOM 9 N N . ALA A 1 2 ? -11.378 5.260 -2.986 1.00 83.29 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -10.003 4.800 -3.190 1.00 89.56 2 A 1 ATOM 11 C C . ALA A 1 2 ? -9.099 5.201 -2.020 1.00 91.83 2 A 1 ATOM 12 O O . ALA A 1 2 ? -7.886 5.020 -2.077 1.00 88.31 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -9.472 5.359 -4.502 1.00 84.10 2 A 1 ATOM 14 N N . LEU A 1 3 ? -9.701 5.734 -0.960 1.00 92.07 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -8.946 6.193 0.208 1.00 93.96 3 A 1 ATOM 16 C C . LEU A 1 3 ? -8.217 5.036 0.879 1.00 95.48 3 A 1 ATOM 17 O O . LEU A 1 3 ? -7.066 5.160 1.289 1.00 94.16 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -9.895 6.874 1.203 1.00 91.82 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -9.908 8.403 1.142 1.00 85.43 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -8.574 8.956 1.599 1.00 81.96 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -10.228 8.880 -0.264 1.00 81.46 3 A 1 ATOM 22 N N . VAL A 1 4 ? -8.892 3.908 0.983 1.00 95.09 4 A 1 ATOM 23 C CA . VAL A 1 4 ? -8.299 2.719 1.603 1.00 96.00 4 A 1 ATOM 24 C C . VAL A 1 4 ? -7.070 2.265 0.822 1.00 96.55 4 A 1 ATOM 25 O O . VAL A 1 4 ? -6.039 1.929 1.404 1.00 96.10 4 A 1 ATOM 26 C CB . VAL A 1 4 ? -9.327 1.579 1.693 1.00 94.60 4 A 1 ATOM 27 C CG1 . VAL A 1 4 ? -8.711 0.344 2.332 1.00 90.72 4 A 1 ATOM 28 C CG2 . VAL A 1 4 ? -10.539 2.021 2.503 1.00 90.16 4 A 1 ATOM 29 N N . LEU A 1 5 ? -7.187 2.258 -0.492 1.00 95.90 5 A 1 ATOM 30 C CA . LEU A 1 5 ? -6.077 1.854 -1.354 1.00 96.06 5 A 1 ATOM 31 C C . LEU A 1 5 ? -4.910 2.825 -1.230 1.00 96.68 5 A 1 ATOM 32 O O . LEU A 1 5 ? -3.755 2.403 -1.182 1.00 96.49 5 A 1 ATOM 33 C CB . LEU A 1 5 ? -6.556 1.772 -2.806 1.00 95.28 5 A 1 ATOM 34 C CG . LEU A 1 5 ? -7.358 0.513 -3.104 1.00 89.66 5 A 1 ATOM 35 C CD1 . LEU A 1 5 ? -8.176 0.690 -4.378 1.00 86.37 5 A 1 ATOM 36 C CD2 . LEU A 1 5 ? -6.429 -0.685 -3.261 1.00 86.28 5 A 1 ATOM 37 N N . GLU A 1 6 ? -5.199 4.109 -1.167 1.00 95.10 6 A 1 ATOM 38 C CA . GLU A 1 6 ? -4.157 5.127 -1.024 1.00 95.66 6 A 1 ATOM 39 C C . GLU A 1 6 ? -3.405 4.955 0.293 1.00 96.49 6 A 1 ATOM 40 O O . GLU A 1 6 ? -2.173 4.977 0.316 1.00 95.98 6 A 1 ATOM 41 C CB . GLU A 1 6 ? -4.775 6.524 -1.099 1.00 95.38 6 A 1 ATOM 42 C CG . GLU A 1 6 ? -5.053 6.945 -2.536 1.00 89.07 6 A 1 ATOM 43 C CD . GLU A 1 6 ? -5.547 8.376 -2.621 1.00 84.39 6 A 1 ATOM 44 O OE1 . GLU A 1 6 ? -5.542 9.083 -1.589 1.00 80.19 6 A 1 ATOM 45 O OE2 . GLU A 1 6 ? -5.935 8.800 -3.718 1.00 81.21 6 A 1 ATOM 46 N N . ILE A 1 7 ? -4.136 4.763 1.366 1.00 95.61 7 A 1 ATOM 47 C CA . ILE A 1 7 ? -3.528 4.582 2.686 1.00 96.02 7 A 1 ATOM 48 C C . ILE A 1 7 ? -2.705 3.297 2.721 1.00 96.42 7 A 1 ATOM 49 O O . ILE A 1 7 ? -1.585 3.272 3.233 1.00 96.02 7 A 1 ATOM 50 C CB . ILE A 1 7 ? -4.614 4.565 3.777 1.00 95.74 7 A 1 ATOM 51 C CG1 . ILE A 1 7 ? -5.318 5.929 3.852 1.00 93.05 7 A 1 ATOM 52 C CG2 . ILE A 1 7 ? -3.990 4.235 5.135 1.00 91.86 7 A 1 ATOM 53 C CD1 . ILE A 1 7 ? -6.643 5.861 4.587 1.00 88.21 7 A 1 ATOM 54 N N . PHE A 1 8 ? -3.257 2.237 2.174 1.00 95.34 8 A 1 ATOM 55 C CA . PHE A 1 8 ? -2.572 0.947 2.155 1.00 95.28 8 A 1 ATOM 56 C C . PHE A 1 8 ? -1.298 1.019 1.322 1.00 95.97 8 A 1 ATOM 57 O O . PHE A 1 8 ? -0.256 0.497 1.720 1.00 95.74 8 A 1 ATOM 58 C CB . PHE A 1 8 ? -3.519 -0.118 1.609 1.00 94.74 8 A 1 ATOM 59 C CG . PHE A 1 8 ? -3.243 -1.481 2.187 1.00 92.09 8 A 1 ATOM 60 C CD1 . PHE A 1 8 ? -3.634 -1.786 3.485 1.00 88.62 8 A 1 ATOM 61 C CD2 . PHE A 1 8 ? -2.603 -2.450 1.426 1.00 88.81 8 A 1 ATOM 62 C CE1 . PHE A 1 8 ? -3.381 -3.041 4.023 1.00 88.19 8 A 1 ATOM 63 C CE2 . PHE A 1 8 ? -2.346 -3.710 1.964 1.00 87.73 8 A 1 ATOM 64 C CZ . PHE A 1 8 ? -2.735 -4.007 3.262 1.00 87.74 8 A 1 ATOM 65 N N . THR A 1 9 ? -1.378 1.672 0.178 1.00 95.05 9 A 1 ATOM 66 C CA . THR A 1 9 ? -0.211 1.839 -0.695 1.00 95.49 9 A 1 ATOM 67 C C . THR A 1 9 ? 0.867 2.658 0.008 1.00 96.11 9 A 1 ATOM 68 O O . THR A 1 9 ? 2.054 2.334 -0.067 1.00 95.62 9 A 1 ATOM 69 C CB . THR A 1 9 ? -0.616 2.524 -2.002 1.00 94.25 9 A 1 ATOM 70 O OG1 . THR A 1 9 ? -1.618 1.759 -2.649 1.00 88.45 9 A 1 ATOM 71 C CG2 . THR A 1 9 ? 0.563 2.647 -2.951 1.00 86.47 9 A 1 ATOM 72 N N . LEU A 1 10 ? 0.456 3.689 0.705 1.00 96.41 10 A 1 ATOM 73 C CA . LEU A 1 10 ? 1.390 4.537 1.441 1.00 96.51 10 A 1 ATOM 74 C C . LEU A 1 10 ? 2.090 3.740 2.538 1.00 96.98 10 A 1 ATOM 75 O O . LEU A 1 10 ? 3.307 3.827 2.704 1.00 96.67 10 A 1 ATOM 76 C CB . LEU A 1 10 ? 0.628 5.729 2.024 1.00 96.16 10 A 1 ATOM 77 C CG . LEU A 1 10 ? 1.366 7.050 1.858 1.00 91.23 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? 0.370 8.186 1.663 1.00 87.81 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? 2.238 7.332 3.065 1.00 88.20 10 A 1 ATOM 80 N N . LEU A 1 11 ? 1.330 2.949 3.269 1.00 96.91 11 A 1 ATOM 81 C CA . LEU A 1 11 ? 1.892 2.102 4.319 1.00 96.75 11 A 1 ATOM 82 C C . LEU A 1 11 ? 2.874 1.095 3.743 1.00 96.97 11 A 1 ATOM 83 O O . LEU A 1 11 ? 3.933 0.852 4.326 1.00 96.77 11 A 1 ATOM 84 C CB . LEU A 1 11 ? 0.758 1.377 5.044 1.00 96.17 11 A 1 ATOM 85 C CG . LEU A 1 11 ? 0.027 2.261 6.049 1.00 92.55 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? -1.324 1.666 6.404 1.00 90.07 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? 0.859 2.425 7.315 1.00 89.74 11 A 1 ATOM 88 N N . ALA A 1 12 ? 2.532 0.513 2.607 1.00 97.16 12 A 1 ATOM 89 C CA . ALA A 1 12 ? 3.415 -0.442 1.945 1.00 97.06 12 A 1 ATOM 90 C C . ALA A 1 12 ? 4.740 0.220 1.571 1.00 97.23 12 A 1 ATOM 91 O O . ALA A 1 12 ? 5.806 -0.367 1.759 1.00 96.42 12 A 1 ATOM 92 C CB . ALA A 1 12 ? 2.721 -1.005 0.708 1.00 96.30 12 A 1 ATOM 93 N N . SER A 1 13 ? 4.679 1.440 1.073 1.00 96.66 13 A 1 ATOM 94 C CA . SER A 1 13 ? 5.880 2.190 0.718 1.00 96.87 13 A 1 ATOM 95 C C . SER A 1 13 ? 6.739 2.470 1.946 1.00 97.14 13 A 1 ATOM 96 O O . SER A 1 13 ? 7.960 2.330 1.902 1.00 95.62 13 A 1 ATOM 97 C CB . SER A 1 13 ? 5.497 3.501 0.041 1.00 95.57 13 A 1 ATOM 98 O OG . SER A 1 13 ? 4.881 3.249 -1.202 1.00 84.62 13 A 1 ATOM 99 N N . ILE A 1 14 ? 6.108 2.827 3.048 1.00 97.42 14 A 1 ATOM 100 C CA . ILE A 1 14 ? 6.825 3.088 4.293 1.00 97.15 14 A 1 ATOM 101 C C . ILE A 1 14 ? 7.510 1.819 4.790 1.00 97.33 14 A 1 ATOM 102 O O . ILE A 1 14 ? 8.667 1.857 5.214 1.00 96.66 14 A 1 ATOM 103 C CB . ILE A 1 14 ? 5.869 3.642 5.361 1.00 96.55 14 A 1 ATOM 104 C CG1 . ILE A 1 14 ? 5.351 5.023 4.951 1.00 94.78 14 A 1 ATOM 105 C CG2 . ILE A 1 14 ? 6.583 3.740 6.713 1.00 93.86 14 A 1 ATOM 106 C CD1 . ILE A 1 14 ? 4.103 5.429 5.714 1.00 90.54 14 A 1 ATOM 107 N N . CYS A 1 15 ? 6.807 0.702 4.731 1.00 97.10 15 A 1 ATOM 108 C CA . CYS A 1 15 ? 7.376 -0.583 5.137 1.00 97.13 15 A 1 ATOM 109 C C . CYS A 1 15 ? 8.606 -0.927 4.304 1.00 96.91 15 A 1 ATOM 110 O O . CYS A 1 15 ? 9.602 -1.411 4.828 1.00 95.46 15 A 1 ATOM 111 C CB . CYS A 1 15 ? 6.324 -1.684 4.998 1.00 96.35 15 A 1 ATOM 112 S SG . CYS A 1 15 ? 5.236 -1.756 6.432 1.00 92.86 15 A 1 ATOM 113 N N . TRP A 1 16 ? 8.525 -0.665 3.012 1.00 96.55 16 A 1 ATOM 114 C CA . TRP A 1 16 ? 9.653 -0.923 2.117 1.00 96.60 16 A 1 ATOM 115 C C . TRP A 1 16 ? 10.858 -0.067 2.497 1.00 96.96 16 A 1 ATOM 116 O O . TRP A 1 16 ? 11.987 -0.558 2.543 1.00 95.99 16 A 1 ATOM 117 C CB . TRP A 1 16 ? 9.232 -0.643 0.679 1.00 95.60 16 A 1 ATOM 118 C CG . TRP A 1 16 ? 10.312 -0.936 -0.308 1.00 93.09 16 A 1 ATOM 119 C CD1 . TRP A 1 16 ? 11.393 -0.167 -0.577 1.00 89.72 16 A 1 ATOM 120 C CD2 . TRP A 1 16 ? 10.436 -2.099 -1.152 1.00 92.15 16 A 1 ATOM 121 N NE1 . TRP A 1 16 ? 12.191 -0.776 -1.527 1.00 89.07 16 A 1 ATOM 122 C CE2 . TRP A 1 16 ? 11.628 -1.963 -1.902 1.00 91.39 16 A 1 ATOM 123 C CE3 . TRP A 1 16 ? 9.653 -3.239 -1.347 1.00 89.23 16 A 1 ATOM 124 C CZ2 . TRP A 1 16 ? 12.044 -2.928 -2.823 1.00 89.75 16 A 1 ATOM 125 C CZ3 . TRP A 1 16 ? 10.062 -4.202 -2.268 1.00 86.16 16 A 1 ATOM 126 C CH2 . TRP A 1 16 ? 11.251 -4.047 -2.995 1.00 85.87 16 A 1 ATOM 127 N N . VAL A 1 17 ? 10.629 1.193 2.779 1.00 96.63 17 A 1 ATOM 128 C CA . VAL A 1 17 ? 11.709 2.111 3.156 1.00 96.11 17 A 1 ATOM 129 C C . VAL A 1 17 ? 12.264 1.769 4.535 1.00 96.30 17 A 1 ATOM 130 O O . VAL A 1 17 ? 13.454 1.955 4.797 1.00 95.04 17 A 1 ATOM 131 C CB . VAL A 1 17 ? 11.209 3.564 3.126 1.00 94.44 17 A 1 ATOM 132 C CG1 . VAL A 1 17 ? 12.280 4.530 3.616 1.00 90.63 17 A 1 ATOM 133 C CG2 . VAL A 1 17 ? 10.793 3.951 1.716 1.00 90.08 17 A 1 ATOM 134 N N . SER A 1 18 ? 11.419 1.263 5.404 1.00 94.97 18 A 1 ATOM 135 C CA . SER A 1 18 ? 11.810 0.905 6.765 1.00 94.54 18 A 1 ATOM 136 C C . SER A 1 18 ? 12.665 -0.361 6.809 1.00 94.06 18 A 1 ATOM 137 O O . SER A 1 18 ? 13.271 -0.660 7.840 1.00 91.19 18 A 1 ATOM 138 C CB . SER A 1 18 ? 10.562 0.718 7.625 1.00 92.41 18 A 1 ATOM 139 O OG . SER A 1 18 ? 10.906 0.514 8.969 1.00 84.51 18 A 1 ATOM 140 N N . ALA A 1 19 ? 12.716 -1.094 5.710 1.00 93.03 19 A 1 ATOM 141 C CA . ALA A 1 19 ? 13.480 -2.340 5.628 1.00 90.72 19 A 1 ATOM 142 C C . ALA A 1 19 ? 14.973 -2.067 5.824 1.00 87.87 19 A 1 ATOM 143 O O . ALA A 1 19 ? 15.683 -2.955 6.316 1.00 83.22 19 A 1 ATOM 144 C CB . ALA A 1 19 ? 13.222 -3.015 4.287 1.00 85.64 19 A 1 ATOM 145 O OXT . ALA A 1 19 ? 15.426 -0.969 5.502 1.00 77.43 19 A 1 #