# 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_spkb32803 # _entry.id spkb32803 # 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 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" "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 LYS 2 1 n GLY 3 1 n LEU 4 1 n PHE 5 1 n LEU 6 1 n ARG 7 1 n ILE 8 1 n ILE 9 1 n ALA 10 1 n ILE 11 1 n VAL 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n TRP 17 1 n ALA 18 # _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 10:30:04)" _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 94.38 _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 84.74 1 1 A LYS 2 2 86.66 1 2 A GLY 3 2 96.60 1 3 A LEU 4 2 93.27 1 4 A PHE 5 2 93.58 1 5 A LEU 6 2 96.24 1 6 A ARG 7 2 91.62 1 7 A ILE 8 2 97.02 1 8 A ILE 9 2 96.21 1 9 A ALA 10 2 98.49 1 10 A ILE 11 2 96.76 1 11 A VAL 12 2 97.95 1 12 A ALA 13 2 98.55 1 13 A LEU 14 2 96.30 1 14 A LEU 15 2 97.14 1 15 A LEU 16 2 96.65 1 16 A TRP 17 2 94.43 1 17 A ALA 18 2 93.35 1 18 # _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 LYS . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ILE . 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 LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n TRP . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -13.800 2.436 3.860 1.00 90.04 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.822 1.336 3.981 1.00 91.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.424 1.875 4.266 1.00 92.08 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.883 2.630 3.463 1.00 89.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.793 0.516 2.694 1.00 86.34 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.874 -0.541 2.662 1.00 82.45 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.525 -1.835 1.454 1.00 78.40 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.291 -1.128 0.012 1.00 67.70 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.859 1.497 5.387 1.00 92.47 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -9.518 1.954 5.777 1.00 94.32 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.459 0.868 5.581 1.00 95.52 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.280 1.188 5.458 1.00 93.50 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -9.550 2.409 7.231 1.00 91.91 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -10.372 3.675 7.436 1.00 84.56 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.212 4.219 8.851 1.00 83.01 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.105 3.500 9.839 1.00 75.66 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.980 4.073 11.204 1.00 68.96 2 A 1 ATOM 18 N N . GLY A 1 3 ? -8.869 -0.380 5.548 1.00 95.85 3 A 1 ATOM 19 C CA . GLY A 1 3 ? -7.940 -1.502 5.398 1.00 96.66 3 A 1 ATOM 20 C C . GLY A 1 3 ? -7.115 -1.446 4.124 1.00 97.35 3 A 1 ATOM 21 O O . GLY A 1 3 ? -5.904 -1.655 4.154 1.00 96.54 3 A 1 ATOM 22 N N . LEU A 1 4 ? -7.770 -1.159 2.998 1.00 95.87 4 A 1 ATOM 23 C CA . LEU A 1 4 ? -7.087 -1.076 1.707 1.00 96.38 4 A 1 ATOM 24 C C . LEU A 1 4 ? -6.246 0.195 1.596 1.00 97.39 4 A 1 ATOM 25 O O . LEU A 1 4 ? -5.130 0.153 1.076 1.00 96.98 4 A 1 ATOM 26 C CB . LEU A 1 4 ? -8.114 -1.149 0.576 1.00 95.72 4 A 1 ATOM 27 C CG . LEU A 1 4 ? -7.515 -1.532 -0.777 1.00 91.13 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? -7.240 -3.039 -0.827 1.00 86.44 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? -8.453 -1.142 -1.900 1.00 86.22 4 A 1 ATOM 30 N N . PHE A 1 5 ? -6.771 1.305 2.074 1.00 96.39 5 A 1 ATOM 31 C CA . PHE A 1 5 ? -6.064 2.586 2.014 1.00 97.09 5 A 1 ATOM 32 C C . PHE A 1 5 ? -4.773 2.554 2.829 1.00 97.80 5 A 1 ATOM 33 O O . PHE A 1 5 ? -3.745 3.062 2.383 1.00 97.64 5 A 1 ATOM 34 C CB . PHE A 1 5 ? -6.976 3.703 2.507 1.00 96.80 5 A 1 ATOM 35 C CG . PHE A 1 5 ? -7.988 4.126 1.473 1.00 93.48 5 A 1 ATOM 36 C CD1 . PHE A 1 5 ? -7.602 4.910 0.392 1.00 89.70 5 A 1 ATOM 37 C CD2 . PHE A 1 5 ? -9.315 3.737 1.585 1.00 91.02 5 A 1 ATOM 38 C CE1 . PHE A 1 5 ? -8.528 5.303 -0.564 1.00 89.59 5 A 1 ATOM 39 C CE2 . PHE A 1 5 ? -10.249 4.124 0.631 1.00 90.00 5 A 1 ATOM 40 C CZ . PHE A 1 5 ? -9.853 4.909 -0.444 1.00 89.82 5 A 1 ATOM 41 N N . LEU A 1 6 ? -4.814 1.950 3.999 1.00 97.85 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -3.629 1.842 4.855 1.00 98.07 6 A 1 ATOM 43 C C . LEU A 1 6 ? -2.539 1.008 4.183 1.00 98.25 6 A 1 ATOM 44 O O . LEU A 1 6 ? -1.356 1.328 4.300 1.00 98.10 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -4.026 1.215 6.193 1.00 98.00 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -4.680 2.200 7.157 1.00 95.73 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -5.506 1.461 8.190 1.00 91.87 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -3.611 3.033 7.857 1.00 92.08 6 A 1 ATOM 49 N N . ARG A 1 7 ? -2.940 -0.031 3.468 1.00 98.23 7 A 1 ATOM 50 C CA . ARG A 1 7 ? -1.995 -0.899 2.761 1.00 98.31 7 A 1 ATOM 51 C C . ARG A 1 7 ? -1.323 -0.151 1.616 1.00 98.51 7 A 1 ATOM 52 O O . ARG A 1 7 ? -0.115 -0.278 1.421 1.00 98.27 7 A 1 ATOM 53 C CB . ARG A 1 7 ? -2.726 -2.125 2.222 1.00 98.01 7 A 1 ATOM 54 C CG . ARG A 1 7 ? -3.009 -3.139 3.314 1.00 94.52 7 A 1 ATOM 55 C CD . ARG A 1 7 ? -3.945 -4.212 2.790 1.00 91.78 7 A 1 ATOM 56 N NE . ARG A 1 7 ? -4.161 -5.264 3.785 1.00 87.90 7 A 1 ATOM 57 C CZ . ARG A 1 7 ? -4.944 -6.314 3.586 1.00 85.11 7 A 1 ATOM 58 N NH1 . ARG A 1 7 ? -5.614 -6.467 2.457 1.00 79.80 7 A 1 ATOM 59 N NH2 . ARG A 1 7 ? -5.066 -7.230 4.532 1.00 77.39 7 A 1 ATOM 60 N N . ILE A 1 8 ? -2.092 0.631 0.875 1.00 98.12 8 A 1 ATOM 61 C CA . ILE A 1 8 ? -1.555 1.406 -0.250 1.00 98.23 8 A 1 ATOM 62 C C . ILE A 1 8 ? -0.533 2.430 0.255 1.00 98.39 8 A 1 ATOM 63 O O . ILE A 1 8 ? 0.536 2.588 -0.342 1.00 98.37 8 A 1 ATOM 64 C CB . ILE A 1 8 ? -2.699 2.082 -1.040 1.00 98.21 8 A 1 ATOM 65 C CG1 . ILE A 1 8 ? -3.579 1.024 -1.719 1.00 96.90 8 A 1 ATOM 66 C CG2 . ILE A 1 8 ? -2.141 3.043 -2.100 1.00 96.55 8 A 1 ATOM 67 C CD1 . ILE A 1 8 ? -4.977 1.516 -2.037 1.00 91.36 8 A 1 ATOM 68 N N . ILE A 1 9 ? -0.852 3.094 1.336 1.00 98.22 9 A 1 ATOM 69 C CA . ILE A 1 9 ? 0.050 4.093 1.921 1.00 98.17 9 A 1 ATOM 70 C C . ILE A 1 9 ? 1.361 3.427 2.358 1.00 98.31 9 A 1 ATOM 71 O O . ILE A 1 9 ? 2.443 3.982 2.140 1.00 98.30 9 A 1 ATOM 72 C CB . ILE A 1 9 ? -0.635 4.821 3.101 1.00 97.91 9 A 1 ATOM 73 C CG1 . ILE A 1 9 ? -1.815 5.667 2.599 1.00 95.83 9 A 1 ATOM 74 C CG2 . ILE A 1 9 ? 0.359 5.727 3.836 1.00 95.06 9 A 1 ATOM 75 C CD1 . ILE A 1 9 ? -2.845 5.956 3.682 1.00 87.91 9 A 1 ATOM 76 N N . ALA A 1 10 ? 1.260 2.256 2.943 1.00 98.53 10 A 1 ATOM 77 C CA . ALA A 1 10 ? 2.441 1.517 3.395 1.00 98.54 10 A 1 ATOM 78 C C . ALA A 1 10 ? 3.344 1.126 2.219 1.00 98.60 10 A 1 ATOM 79 O O . ALA A 1 10 ? 4.565 1.234 2.316 1.00 98.44 10 A 1 ATOM 80 C CB . ALA A 1 10 ? 2.000 0.278 4.162 1.00 98.36 10 A 1 ATOM 81 N N . ILE A 1 11 ? 2.742 0.700 1.116 1.00 98.25 11 A 1 ATOM 82 C CA . ILE A 1 11 ? 3.494 0.310 -0.082 1.00 98.18 11 A 1 ATOM 83 C C . ILE A 1 11 ? 4.203 1.524 -0.684 1.00 98.39 11 A 1 ATOM 84 O O . ILE A 1 11 ? 5.379 1.440 -1.056 1.00 98.23 11 A 1 ATOM 85 C CB . ILE A 1 11 ? 2.561 -0.364 -1.112 1.00 97.91 11 A 1 ATOM 86 C CG1 . ILE A 1 11 ? 2.044 -1.704 -0.575 1.00 96.19 11 A 1 ATOM 87 C CG2 . ILE A 1 11 ? 3.291 -0.595 -2.442 1.00 96.15 11 A 1 ATOM 88 C CD1 . ILE A 1 11 ? 0.740 -2.148 -1.216 1.00 90.76 11 A 1 ATOM 89 N N . VAL A 1 12 ? 3.503 2.627 -0.779 1.00 98.51 12 A 1 ATOM 90 C CA . VAL A 1 12 ? 4.072 3.861 -1.334 1.00 98.48 12 A 1 ATOM 91 C C . VAL A 1 12 ? 5.240 4.340 -0.469 1.00 98.59 12 A 1 ATOM 92 O O . VAL A 1 12 ? 6.284 4.737 -0.998 1.00 98.43 12 A 1 ATOM 93 C CB . VAL A 1 12 ? 2.993 4.955 -1.466 1.00 98.13 12 A 1 ATOM 94 C CG1 . VAL A 1 12 ? 3.593 6.282 -1.904 1.00 96.82 12 A 1 ATOM 95 C CG2 . VAL A 1 12 ? 1.925 4.533 -2.463 1.00 96.68 12 A 1 ATOM 96 N N . ALA A 1 13 ? 5.070 4.287 0.830 1.00 98.63 13 A 1 ATOM 97 C CA . ALA A 1 13 ? 6.122 4.691 1.765 1.00 98.62 13 A 1 ATOM 98 C C . ALA A 1 13 ? 7.353 3.791 1.630 1.00 98.69 13 A 1 ATOM 99 O O . ALA A 1 13 ? 8.482 4.281 1.641 1.00 98.43 13 A 1 ATOM 100 C CB . ALA A 1 13 ? 5.585 4.652 3.188 1.00 98.40 13 A 1 ATOM 101 N N . LEU A 1 14 ? 7.132 2.499 1.477 1.00 98.63 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 8.217 1.531 1.309 1.00 98.55 14 A 1 ATOM 103 C C . LEU A 1 14 ? 8.993 1.798 0.024 1.00 98.66 14 A 1 ATOM 104 O O . LEU A 1 14 ? 10.223 1.722 0.015 1.00 98.37 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 7.637 0.116 1.299 1.00 98.23 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 8.668 -0.978 1.572 1.00 94.40 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 8.906 -1.118 3.075 1.00 91.38 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 8.201 -2.302 1.005 1.00 92.18 14 A 1 ATOM 109 N N . LEU A 1 15 ? 8.282 2.118 -1.047 1.00 98.66 15 A 1 ATOM 110 C CA . LEU A 1 15 ? 8.898 2.422 -2.338 1.00 98.60 15 A 1 ATOM 111 C C . LEU A 1 15 ? 9.733 3.700 -2.263 1.00 98.65 15 A 1 ATOM 112 O O . LEU A 1 15 ? 10.816 3.771 -2.851 1.00 98.33 15 A 1 ATOM 113 C CB . LEU A 1 15 ? 7.812 2.556 -3.407 1.00 98.41 15 A 1 ATOM 114 C CG . LEU A 1 15 ? 8.226 1.972 -4.755 1.00 96.74 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? 7.704 0.545 -4.902 1.00 93.73 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? 7.703 2.827 -5.890 1.00 93.99 15 A 1 ATOM 117 N N . LEU A 1 16 ? 9.238 4.689 -1.558 1.00 98.51 16 A 1 ATOM 118 C CA . LEU A 1 16 ? 9.950 5.959 -1.374 1.00 98.40 16 A 1 ATOM 119 C C . LEU A 1 16 ? 11.220 5.770 -0.555 1.00 98.43 16 A 1 ATOM 120 O O . LEU A 1 16 ? 12.231 6.427 -0.820 1.00 97.89 16 A 1 ATOM 121 C CB . LEU A 1 16 ? 9.015 6.965 -0.695 1.00 98.10 16 A 1 ATOM 122 C CG . LEU A 1 16 ? 8.336 7.911 -1.681 1.00 96.31 16 A 1 ATOM 123 C CD1 . LEU A 1 16 ? 6.955 8.308 -1.187 1.00 93.00 16 A 1 ATOM 124 C CD2 . LEU A 1 16 ? 9.191 9.151 -1.889 1.00 92.56 16 A 1 ATOM 125 N N . TRP A 1 17 ? 11.172 4.878 0.422 1.00 98.05 17 A 1 ATOM 126 C CA . TRP A 1 17 ? 12.309 4.570 1.279 1.00 97.85 17 A 1 ATOM 127 C C . TRP A 1 17 ? 13.008 3.269 0.845 1.00 97.91 17 A 1 ATOM 128 O O . TRP A 1 17 ? 13.633 2.601 1.666 1.00 97.02 17 A 1 ATOM 129 C CB . TRP A 1 17 ? 11.844 4.486 2.733 1.00 97.22 17 A 1 ATOM 130 C CG . TRP A 1 17 ? 11.752 5.838 3.386 1.00 95.49 17 A 1 ATOM 131 C CD1 . TRP A 1 17 ? 12.741 6.471 4.058 1.00 93.30 17 A 1 ATOM 132 C CD2 . TRP A 1 17 ? 10.612 6.720 3.436 1.00 94.69 17 A 1 ATOM 133 N NE1 . TRP A 1 17 ? 12.298 7.694 4.523 1.00 93.46 17 A 1 ATOM 134 C CE2 . TRP A 1 17 ? 10.995 7.869 4.156 1.00 94.53 17 A 1 ATOM 135 C CE3 . TRP A 1 17 ? 9.308 6.629 2.940 1.00 93.28 17 A 1 ATOM 136 C CZ2 . TRP A 1 17 ? 10.105 8.926 4.383 1.00 91.85 17 A 1 ATOM 137 C CZ3 . TRP A 1 17 ? 8.427 7.684 3.169 1.00 88.70 17 A 1 ATOM 138 C CH2 . TRP A 1 17 ? 8.828 8.815 3.878 1.00 88.69 17 A 1 ATOM 139 N N . ALA A 1 18 ? 12.920 2.927 -0.439 1.00 97.06 18 A 1 ATOM 140 C CA . ALA A 1 18 ? 13.516 1.704 -0.967 1.00 96.17 18 A 1 ATOM 141 C C . ALA A 1 18 ? 15.043 1.746 -0.890 1.00 95.10 18 A 1 ATOM 142 O O . ALA A 1 18 ? 15.627 2.833 -1.050 1.00 92.10 18 A 1 ATOM 143 C CB . ALA A 1 18 ? 13.068 1.467 -2.401 1.00 94.24 18 A 1 ATOM 144 O OXT . ALA A 1 18 ? 15.657 0.672 -0.705 1.00 85.42 18 A 1 #