# 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_spkb29284 # _entry.id spkb29284 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)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 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" "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" # _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 GLU 2 1 n MET 3 1 n LEU 4 1 n GLN 5 1 n GLY 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n SER 14 1 n MET 15 1 n GLY 16 1 n GLY 17 1 n ALA 18 1 n TRP 19 1 n ALA 20 # _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 16:19:32)" _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 90.44 _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 82.70 1 1 A GLU 2 2 83.16 1 2 A MET 3 2 89.79 1 3 A LEU 4 2 93.71 1 4 A GLN 5 2 88.92 1 5 A GLY 6 2 96.11 1 6 A LEU 7 2 94.16 1 7 A LEU 8 2 94.59 1 8 A LEU 9 2 93.52 1 9 A LEU 10 2 94.99 1 10 A LEU 11 2 94.35 1 11 A LEU 12 2 94.13 1 12 A LEU 13 2 95.18 1 13 A SER 14 2 94.57 1 14 A MET 15 2 88.94 1 15 A GLY 16 2 92.76 1 16 A GLY 17 2 91.40 1 17 A ALA 18 2 91.86 1 18 A TRP 19 2 83.15 1 19 A ALA 20 2 81.19 1 20 # _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 GLU . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n GLY . 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 LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n TRP . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -14.507 3.180 2.180 1.00 89.10 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.314 2.512 2.727 1.00 91.21 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.261 2.269 1.644 1.00 92.24 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.147 1.850 1.934 1.00 89.21 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.716 1.189 3.379 1.00 84.68 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.816 0.840 4.550 1.00 79.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.440 -0.578 5.448 1.00 73.02 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.173 -0.734 6.689 1.00 62.78 1 A 1 ATOM 9 N N . GLU A 1 2 ? -12.634 2.528 0.408 1.00 89.04 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -11.709 2.341 -0.716 1.00 92.87 2 A 1 ATOM 11 C C . GLU A 1 2 ? -10.507 3.269 -0.605 1.00 94.66 2 A 1 ATOM 12 O O . GLU A 1 2 ? -9.368 2.868 -0.851 1.00 92.35 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -12.450 2.605 -2.024 1.00 88.37 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -13.514 1.553 -2.289 1.00 79.41 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -14.526 2.053 -3.296 1.00 75.19 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -14.152 2.854 -4.171 1.00 65.78 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -15.689 1.660 -3.202 1.00 70.73 2 A 1 ATOM 18 N N . MET A 1 3 ? -10.769 4.510 -0.230 1.00 95.07 3 A 1 ATOM 19 C CA . MET A 1 3 ? -9.695 5.495 -0.085 1.00 96.09 3 A 1 ATOM 20 C C . MET A 1 3 ? -8.724 5.083 1.024 1.00 96.70 3 A 1 ATOM 21 O O . MET A 1 3 ? -7.517 5.295 0.917 1.00 95.26 3 A 1 ATOM 22 C CB . MET A 1 3 ? -10.293 6.870 0.217 1.00 94.38 3 A 1 ATOM 23 C CG . MET A 1 3 ? -9.506 7.977 -0.462 1.00 87.59 3 A 1 ATOM 24 S SD . MET A 1 3 ? -10.344 9.558 -0.343 1.00 81.71 3 A 1 ATOM 25 C CE . MET A 1 3 ? -9.234 10.560 -1.300 1.00 71.53 3 A 1 ATOM 26 N N . LEU A 1 4 ? -9.275 4.485 2.069 1.00 95.58 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -8.465 4.019 3.195 1.00 96.46 4 A 1 ATOM 28 C C . LEU A 1 4 ? -7.473 2.960 2.728 1.00 96.92 4 A 1 ATOM 29 O O . LEU A 1 4 ? -6.305 2.962 3.115 1.00 96.14 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -9.379 3.448 4.284 1.00 96.15 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -8.981 3.827 5.708 1.00 93.08 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -7.563 3.386 6.020 1.00 88.38 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -9.134 5.322 5.912 1.00 87.00 4 A 1 ATOM 34 N N . GLN A 1 5 ? -7.955 2.045 1.893 1.00 94.11 5 A 1 ATOM 35 C CA . GLN A 1 5 ? -7.104 0.979 1.364 1.00 95.32 5 A 1 ATOM 36 C C . GLN A 1 5 ? -5.997 1.573 0.496 1.00 95.86 5 A 1 ATOM 37 O O . GLN A 1 5 ? -4.854 1.112 0.535 1.00 93.89 5 A 1 ATOM 38 C CB . GLN A 1 5 ? -7.947 0.005 0.549 1.00 93.94 5 A 1 ATOM 39 C CG . GLN A 1 5 ? -7.307 -1.365 0.516 1.00 86.70 5 A 1 ATOM 40 C CD . GLN A 1 5 ? -8.191 -2.375 -0.178 1.00 84.10 5 A 1 ATOM 41 O OE1 . GLN A 1 5 ? -9.132 -2.896 0.394 1.00 79.05 5 A 1 ATOM 42 N NE2 . GLN A 1 5 ? -7.903 -2.650 -1.427 1.00 77.33 5 A 1 ATOM 43 N N . GLY A 1 6 ? -6.343 2.589 -0.284 1.00 95.88 6 A 1 ATOM 44 C CA . GLY A 1 6 ? -5.358 3.263 -1.127 1.00 96.16 6 A 1 ATOM 45 C C . GLY A 1 6 ? -4.264 3.902 -0.294 1.00 96.87 6 A 1 ATOM 46 O O . GLY A 1 6 ? -3.085 3.859 -0.655 1.00 95.53 6 A 1 ATOM 47 N N . LEU A 1 7 ? -4.669 4.479 0.827 1.00 96.11 7 A 1 ATOM 48 C CA . LEU A 1 7 ? -3.716 5.105 1.744 1.00 96.54 7 A 1 ATOM 49 C C . LEU A 1 7 ? -2.765 4.064 2.318 1.00 96.93 7 A 1 ATOM 50 O O . LEU A 1 7 ? -1.560 4.294 2.422 1.00 95.86 7 A 1 ATOM 51 C CB . LEU A 1 7 ? -4.483 5.797 2.871 1.00 96.32 7 A 1 ATOM 52 C CG . LEU A 1 7 ? -4.149 7.277 3.007 1.00 92.97 7 A 1 ATOM 53 C CD1 . LEU A 1 7 ? -5.249 8.001 3.765 1.00 89.39 7 A 1 ATOM 54 C CD2 . LEU A 1 7 ? -2.824 7.455 3.721 1.00 89.13 7 A 1 ATOM 55 N N . LEU A 1 8 ? -3.326 2.916 2.674 1.00 96.58 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -2.524 1.818 3.217 1.00 96.51 8 A 1 ATOM 57 C C . LEU A 1 8 ? -1.511 1.337 2.186 1.00 96.72 8 A 1 ATOM 58 O O . LEU A 1 8 ? -0.355 1.074 2.513 1.00 96.43 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -3.445 0.666 3.619 1.00 96.31 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -2.795 -0.305 4.595 1.00 93.46 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -2.897 0.239 6.018 1.00 90.33 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -3.455 -1.663 4.507 1.00 90.40 8 A 1 ATOM 63 N N . LEU A 1 9 ? -1.958 1.226 0.941 1.00 95.58 9 A 1 ATOM 64 C CA . LEU A 1 9 ? -1.091 0.789 -0.151 1.00 95.38 9 A 1 ATOM 65 C C . LEU A 1 9 ? 0.056 1.774 -0.352 1.00 95.99 9 A 1 ATOM 66 O O . LEU A 1 9 ? 1.207 1.375 -0.540 1.00 95.69 9 A 1 ATOM 67 C CB . LEU A 1 9 ? -1.906 0.671 -1.437 1.00 94.90 9 A 1 ATOM 68 C CG . LEU A 1 9 ? -1.420 -0.450 -2.349 1.00 91.32 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -2.051 -1.771 -1.934 1.00 89.72 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? -1.758 -0.137 -3.791 1.00 89.58 9 A 1 ATOM 71 N N . LEU A 1 10 ? -0.277 3.056 -0.303 1.00 96.10 10 A 1 ATOM 72 C CA . LEU A 1 10 ? 0.730 4.106 -0.458 1.00 96.34 10 A 1 ATOM 73 C C . LEU A 1 10 ? 1.754 4.036 0.667 1.00 96.71 10 A 1 ATOM 74 O O . LEU A 1 10 ? 2.955 4.191 0.434 1.00 96.37 10 A 1 ATOM 75 C CB . LEU A 1 10 ? 0.043 5.471 -0.459 1.00 96.16 10 A 1 ATOM 76 C CG . LEU A 1 10 ? -0.361 5.945 -1.855 1.00 93.91 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? -1.386 7.061 -1.757 1.00 92.14 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? 0.873 6.434 -2.608 1.00 92.16 10 A 1 ATOM 79 N N . LEU A 1 11 ? 1.260 3.802 1.866 1.00 96.33 11 A 1 ATOM 80 C CA . LEU A 1 11 ? 2.137 3.687 3.028 1.00 96.30 11 A 1 ATOM 81 C C . LEU A 1 11 ? 3.086 2.507 2.869 1.00 96.70 11 A 1 ATOM 82 O O . LEU A 1 11 ? 4.276 2.607 3.173 1.00 96.43 11 A 1 ATOM 83 C CB . LEU A 1 11 ? 1.293 3.506 4.288 1.00 96.18 11 A 1 ATOM 84 C CG . LEU A 1 11 ? 2.002 4.003 5.542 1.00 92.64 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? 1.676 5.475 5.777 1.00 89.78 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? 1.585 3.179 6.739 1.00 90.43 11 A 1 ATOM 87 N N . LEU A 1 12 ? 2.545 1.397 2.387 1.00 96.00 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 3.341 0.189 2.175 1.00 95.98 12 A 1 ATOM 89 C C . LEU A 1 12 ? 4.441 0.447 1.152 1.00 96.41 12 A 1 ATOM 90 O O . LEU A 1 12 ? 5.597 0.072 1.357 1.00 95.87 12 A 1 ATOM 91 C CB . LEU A 1 12 ? 2.424 -0.939 1.699 1.00 95.48 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 2.555 -2.216 2.520 1.00 92.88 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? 1.313 -3.079 2.350 1.00 90.35 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 3.787 -2.993 2.100 1.00 90.10 12 A 1 ATOM 95 N N . LEU A 1 13 ? 4.079 1.099 0.055 1.00 96.52 13 A 1 ATOM 96 C CA . LEU A 1 13 ? 5.045 1.425 -0.992 1.00 96.49 13 A 1 ATOM 97 C C . LEU A 1 13 ? 6.112 2.375 -0.462 1.00 96.75 13 A 1 ATOM 98 O O . LEU A 1 13 ? 7.299 2.218 -0.761 1.00 95.85 13 A 1 ATOM 99 C CB . LEU A 1 13 ? 4.316 2.056 -2.178 1.00 96.18 13 A 1 ATOM 100 C CG . LEU A 1 13 ? 3.656 1.032 -3.102 1.00 94.69 13 A 1 ATOM 101 C CD1 . LEU A 1 13 ? 2.600 1.699 -3.963 1.00 92.57 13 A 1 ATOM 102 C CD2 . LEU A 1 13 ? 4.712 0.374 -3.985 1.00 92.38 13 A 1 ATOM 103 N N . SER A 1 14 ? 5.678 3.346 0.318 1.00 96.73 14 A 1 ATOM 104 C CA . SER A 1 14 ? 6.590 4.318 0.908 1.00 96.61 14 A 1 ATOM 105 C C . SER A 1 14 ? 7.588 3.629 1.832 1.00 96.49 14 A 1 ATOM 106 O O . SER A 1 14 ? 8.782 3.934 1.806 1.00 94.57 14 A 1 ATOM 107 C CB . SER A 1 14 ? 5.794 5.367 1.681 1.00 95.57 14 A 1 ATOM 108 O OG . SER A 1 14 ? 6.656 6.305 2.260 1.00 87.44 14 A 1 ATOM 109 N N . MET A 1 15 ? 7.087 2.696 2.625 1.00 95.31 15 A 1 ATOM 110 C CA . MET A 1 15 ? 7.943 1.943 3.543 1.00 94.82 15 A 1 ATOM 111 C C . MET A 1 15 ? 8.959 1.117 2.768 1.00 94.97 15 A 1 ATOM 112 O O . MET A 1 15 ? 10.145 1.119 3.087 1.00 92.28 15 A 1 ATOM 113 C CB . MET A 1 15 ? 7.096 1.028 4.422 1.00 92.82 15 A 1 ATOM 114 C CG . MET A 1 15 ? 6.547 1.762 5.622 1.00 87.81 15 A 1 ATOM 115 S SD . MET A 1 15 ? 5.500 0.727 6.648 1.00 81.43 15 A 1 ATOM 116 C CE . MET A 1 15 ? 6.729 -0.021 7.693 1.00 72.08 15 A 1 ATOM 117 N N . GLY A 1 16 ? 8.484 0.426 1.741 1.00 93.07 16 A 1 ATOM 118 C CA . GLY A 1 16 ? 9.374 -0.391 0.925 1.00 92.73 16 A 1 ATOM 119 C C . GLY A 1 16 ? 10.453 0.443 0.260 1.00 93.43 16 A 1 ATOM 120 O O . GLY A 1 16 ? 11.613 0.037 0.190 1.00 91.79 16 A 1 ATOM 121 N N . GLY A 1 17 ? 10.076 1.614 -0.223 1.00 91.63 17 A 1 ATOM 122 C CA . GLY A 1 17 ? 11.036 2.517 -0.857 1.00 91.16 17 A 1 ATOM 123 C C . GLY A 1 17 ? 12.041 3.072 0.133 1.00 92.35 17 A 1 ATOM 124 O O . GLY A 1 17 ? 13.212 3.267 -0.201 1.00 90.46 17 A 1 ATOM 125 N N . ALA A 1 18 ? 11.583 3.327 1.348 1.00 91.29 18 A 1 ATOM 126 C CA . ALA A 1 18 ? 12.453 3.847 2.402 1.00 92.35 18 A 1 ATOM 127 C C . ALA A 1 18 ? 13.544 2.843 2.764 1.00 93.77 18 A 1 ATOM 128 O O . ALA A 1 18 ? 14.676 3.226 3.058 1.00 91.68 18 A 1 ATOM 129 C CB . ALA A 1 18 ? 11.626 4.193 3.638 1.00 90.19 18 A 1 ATOM 130 N N . TRP A 1 19 ? 13.178 1.555 2.741 1.00 88.90 19 A 1 ATOM 131 C CA . TRP A 1 19 ? 14.136 0.499 3.065 1.00 89.20 19 A 1 ATOM 132 C C . TRP A 1 19 ? 14.972 0.094 1.853 1.00 90.43 19 A 1 ATOM 133 O O . TRP A 1 19 ? 15.920 -0.674 1.989 1.00 87.97 19 A 1 ATOM 134 C CB . TRP A 1 19 ? 13.397 -0.722 3.621 1.00 86.60 19 A 1 ATOM 135 C CG . TRP A 1 19 ? 12.545 -0.386 4.801 1.00 84.16 19 A 1 ATOM 136 C CD1 . TRP A 1 19 ? 11.188 -0.311 4.820 1.00 82.29 19 A 1 ATOM 137 C CD2 . TRP A 1 19 ? 12.984 -0.077 6.135 1.00 84.49 19 A 1 ATOM 138 N NE1 . TRP A 1 19 ? 10.755 0.030 6.081 1.00 78.66 19 A 1 ATOM 139 C CE2 . TRP A 1 19 ? 11.837 0.183 6.913 1.00 82.39 19 A 1 ATOM 140 C CE3 . TRP A 1 19 ? 14.244 0.006 6.746 1.00 79.13 19 A 1 ATOM 141 C CZ2 . TRP A 1 19 ? 11.917 0.523 8.262 1.00 79.01 19 A 1 ATOM 142 C CZ3 . TRP A 1 19 ? 14.324 0.338 8.085 1.00 75.44 19 A 1 ATOM 143 C CH2 . TRP A 1 19 ? 13.176 0.596 8.836 1.00 75.38 19 A 1 ATOM 144 N N . ALA A 1 20 ? 14.632 0.599 0.693 1.00 88.08 20 A 1 ATOM 145 C CA . ALA A 1 20 ? 15.332 0.260 -0.542 1.00 86.03 20 A 1 ATOM 146 C C . ALA A 1 20 ? 16.694 0.955 -0.625 1.00 83.21 20 A 1 ATOM 147 O O . ALA A 1 20 ? 16.913 1.946 0.089 1.00 79.24 20 A 1 ATOM 148 C CB . ALA A 1 20 ? 14.471 0.623 -1.740 1.00 79.29 20 A 1 ATOM 149 O OXT . ALA A 1 20 ? 17.545 0.503 -1.420 1.00 71.27 20 A 1 #