# 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_spkb44604 # _entry.id spkb44604 # 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 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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 LYS 2 1 n LYS 3 1 n ILE 4 1 n ALA 5 1 n LEU 6 1 n THR 7 1 n ALA 8 1 n LEU 9 1 n ALA 10 1 n VAL 11 1 n PHE 12 1 n SER 13 1 n LEU 14 1 n ALA 15 1 n ALA 16 1 n SER 17 1 n ALA 18 1 n ALA 19 1 n TYR 20 1 n ALA 21 # _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 21:36:42)" _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 94.81 _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 86.36 1 1 A LYS 2 2 89.44 1 2 A LYS 3 2 91.18 1 3 A ILE 4 2 93.08 1 4 A ALA 5 2 97.42 1 5 A LEU 6 2 95.43 1 6 A THR 7 2 96.64 1 7 A ALA 8 2 97.98 1 8 A LEU 9 2 95.31 1 9 A ALA 10 2 98.05 1 10 A VAL 11 2 97.69 1 11 A PHE 12 2 95.79 1 12 A SER 13 2 96.81 1 13 A LEU 14 2 96.03 1 14 A ALA 15 2 98.34 1 15 A ALA 16 2 98.16 1 16 A SER 17 2 96.57 1 17 A ALA 18 2 98.36 1 18 A ALA 19 2 98.04 1 19 A TYR 20 2 94.06 1 20 A ALA 21 2 90.36 1 21 # _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 LYS . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -18.869 -1.094 1.689 1.00 90.27 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.502 -0.698 1.280 1.00 93.04 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.897 -1.757 0.358 1.00 93.71 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.741 -2.910 0.748 1.00 90.79 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.625 -0.549 2.514 1.00 88.41 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.550 -1.860 3.300 1.00 84.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.844 -1.610 4.926 1.00 80.91 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.335 -1.524 5.890 1.00 69.16 1 A 1 ATOM 9 N N . LYS A 1 2 ? -16.584 -1.379 -0.848 1.00 95.24 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -16.019 -2.318 -1.827 1.00 96.27 2 A 1 ATOM 11 C C . LYS A 1 2 ? -14.804 -1.702 -2.515 1.00 96.77 2 A 1 ATOM 12 O O . LYS A 1 2 ? -14.625 -1.847 -3.722 1.00 96.10 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -17.092 -2.670 -2.853 1.00 95.19 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -17.777 -1.426 -3.394 1.00 88.32 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -18.833 -1.802 -4.408 1.00 86.42 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -19.609 -0.566 -4.843 1.00 78.31 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -20.584 -0.188 -3.815 1.00 72.30 2 A 1 ATOM 18 N N . LYS A 1 3 ? -13.975 -1.031 -1.755 1.00 97.04 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -12.772 -0.390 -2.305 1.00 97.61 3 A 1 ATOM 20 C C . LYS A 1 3 ? -11.528 -0.879 -1.575 1.00 97.90 3 A 1 ATOM 21 O O . LYS A 1 3 ? -10.627 -0.104 -1.270 1.00 97.35 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -12.914 1.126 -2.184 1.00 96.88 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -13.256 1.537 -0.769 1.00 91.62 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -13.728 2.985 -0.757 1.00 88.02 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -12.583 3.938 -0.983 1.00 80.42 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -13.080 5.336 -1.019 1.00 73.76 3 A 1 ATOM 27 N N . ILE A 1 4 ? -11.493 -2.159 -1.291 1.00 94.72 4 A 1 ATOM 28 C CA . ILE A 1 4 ? -10.349 -2.755 -0.590 1.00 95.37 4 A 1 ATOM 29 C C . ILE A 1 4 ? -9.109 -2.709 -1.480 1.00 96.32 4 A 1 ATOM 30 O O . ILE A 1 4 ? -7.983 -2.596 -0.996 1.00 95.82 4 A 1 ATOM 31 C CB . ILE A 1 4 ? -10.670 -4.204 -0.206 1.00 95.10 4 A 1 ATOM 32 C CG1 . ILE A 1 4 ? -11.910 -4.244 0.693 1.00 91.77 4 A 1 ATOM 33 C CG2 . ILE A 1 4 ? -9.480 -4.812 0.547 1.00 90.23 4 A 1 ATOM 34 C CD1 . ILE A 1 4 ? -12.482 -5.652 0.790 1.00 85.31 4 A 1 ATOM 35 N N . ALA A 1 5 ? -9.320 -2.807 -2.778 1.00 97.26 5 A 1 ATOM 36 C CA . ALA A 1 5 ? -8.200 -2.773 -3.725 1.00 97.44 5 A 1 ATOM 37 C C . ALA A 1 5 ? -7.423 -1.463 -3.589 1.00 97.81 5 A 1 ATOM 38 O O . ALA A 1 5 ? -6.196 -1.442 -3.677 1.00 97.51 5 A 1 ATOM 39 C CB . ALA A 1 5 ? -8.742 -2.926 -5.140 1.00 97.10 5 A 1 ATOM 40 N N . LEU A 1 6 ? -8.138 -0.379 -3.356 1.00 97.69 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -7.495 0.933 -3.201 1.00 97.74 6 A 1 ATOM 42 C C . LEU A 1 6 ? -6.642 0.958 -1.938 1.00 98.03 6 A 1 ATOM 43 O O . LEU A 1 6 ? -5.545 1.510 -1.924 1.00 97.94 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -8.581 2.008 -3.127 1.00 97.54 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -9.110 2.378 -4.511 1.00 93.12 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -10.437 3.105 -4.387 1.00 90.94 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -8.098 3.278 -5.224 1.00 90.44 6 A 1 ATOM 48 N N . THR A 1 7 ? -7.147 0.359 -0.888 1.00 97.85 7 A 1 ATOM 49 C CA . THR A 1 7 ? -6.416 0.312 0.384 1.00 97.94 7 A 1 ATOM 50 C C . THR A 1 7 ? -5.117 -0.473 0.209 1.00 98.24 7 A 1 ATOM 51 O O . THR A 1 7 ? -4.067 -0.084 0.720 1.00 98.24 7 A 1 ATOM 52 C CB . THR A 1 7 ? -7.281 -0.361 1.456 1.00 97.68 7 A 1 ATOM 53 O OG1 . THR A 1 7 ? -8.563 0.252 1.472 1.00 93.99 7 A 1 ATOM 54 C CG2 . THR A 1 7 ? -6.646 -0.188 2.829 1.00 92.56 7 A 1 ATOM 55 N N . ALA A 1 8 ? -5.193 -1.575 -0.506 1.00 97.94 8 A 1 ATOM 56 C CA . ALA A 1 8 ? -4.012 -2.412 -0.741 1.00 98.00 8 A 1 ATOM 57 C C . ALA A 1 8 ? -2.956 -1.636 -1.529 1.00 98.26 8 A 1 ATOM 58 O O . ALA A 1 8 ? -1.760 -1.761 -1.270 1.00 97.96 8 A 1 ATOM 59 C CB . ALA A 1 8 ? -4.434 -3.663 -1.506 1.00 97.74 8 A 1 ATOM 60 N N . LEU A 1 9 ? -3.403 -0.842 -2.475 1.00 98.17 9 A 1 ATOM 61 C CA . LEU A 1 9 ? -2.480 -0.047 -3.297 1.00 98.02 9 A 1 ATOM 62 C C . LEU A 1 9 ? -1.718 0.953 -2.434 1.00 98.29 9 A 1 ATOM 63 O O . LEU A 1 9 ? -0.515 1.143 -2.601 1.00 98.15 9 A 1 ATOM 64 C CB . LEU A 1 9 ? -3.285 0.684 -4.374 1.00 97.72 9 A 1 ATOM 65 C CG . LEU A 1 9 ? -3.340 -0.102 -5.678 1.00 92.27 9 A 1 ATOM 66 C CD1 . LEU A 1 9 ? -4.539 0.330 -6.509 1.00 89.19 9 A 1 ATOM 67 C CD2 . LEU A 1 9 ? -2.058 0.122 -6.470 1.00 90.68 9 A 1 ATOM 68 N N . ALA A 1 10 ? -2.416 1.583 -1.523 1.00 98.16 10 A 1 ATOM 69 C CA . ALA A 1 10 ? -1.791 2.565 -0.635 1.00 98.11 10 A 1 ATOM 70 C C . ALA A 1 10 ? -0.731 1.899 0.241 1.00 98.32 10 A 1 ATOM 71 O O . ALA A 1 10 ? 0.353 2.442 0.440 1.00 97.93 10 A 1 ATOM 72 C CB . ALA A 1 10 ? -2.869 3.205 0.232 1.00 97.74 10 A 1 ATOM 73 N N . VAL A 1 11 ? -1.047 0.736 0.762 1.00 98.31 11 A 1 ATOM 74 C CA . VAL A 1 11 ? -0.108 0.001 1.620 1.00 98.37 11 A 1 ATOM 75 C C . VAL A 1 11 ? 1.111 -0.435 0.811 1.00 98.45 11 A 1 ATOM 76 O O . VAL A 1 11 ? 2.246 -0.356 1.282 1.00 98.16 11 A 1 ATOM 77 C CB . VAL A 1 11 ? -0.799 -1.225 2.230 1.00 98.03 11 A 1 ATOM 78 C CG1 . VAL A 1 11 ? 0.193 -2.036 3.055 1.00 96.39 11 A 1 ATOM 79 C CG2 . VAL A 1 11 ? -1.958 -0.777 3.113 1.00 96.09 11 A 1 ATOM 80 N N . PHE A 1 12 ? 0.870 -0.906 -0.388 1.00 98.28 12 A 1 ATOM 81 C CA . PHE A 1 12 ? 1.960 -1.365 -1.254 1.00 98.04 12 A 1 ATOM 82 C C . PHE A 1 12 ? 2.911 -0.212 -1.570 1.00 98.21 12 A 1 ATOM 83 O O . PHE A 1 12 ? 4.131 -0.372 -1.547 1.00 97.71 12 A 1 ATOM 84 C CB . PHE A 1 12 ? 1.367 -1.925 -2.548 1.00 97.73 12 A 1 ATOM 85 C CG . PHE A 1 12 ? 2.255 -2.989 -3.144 1.00 95.82 12 A 1 ATOM 86 C CD1 . PHE A 1 12 ? 2.266 -4.273 -2.612 1.00 93.51 12 A 1 ATOM 87 C CD2 . PHE A 1 12 ? 3.069 -2.702 -4.234 1.00 94.09 12 A 1 ATOM 88 C CE1 . PHE A 1 12 ? 3.083 -5.261 -3.159 1.00 93.50 12 A 1 ATOM 89 C CE2 . PHE A 1 12 ? 3.891 -3.683 -4.786 1.00 93.17 12 A 1 ATOM 90 C CZ . PHE A 1 12 ? 3.898 -4.965 -4.247 1.00 93.62 12 A 1 ATOM 91 N N . SER A 1 13 ? 2.355 0.935 -1.860 1.00 98.24 13 A 1 ATOM 92 C CA . SER A 1 13 ? 3.164 2.116 -2.183 1.00 98.09 13 A 1 ATOM 93 C C . SER A 1 13 ? 4.001 2.540 -0.978 1.00 98.26 13 A 1 ATOM 94 O O . SER A 1 13 ? 5.169 2.904 -1.114 1.00 97.84 13 A 1 ATOM 95 C CB . SER A 1 13 ? 2.244 3.260 -2.605 1.00 97.68 13 A 1 ATOM 96 O OG . SER A 1 13 ? 3.008 4.289 -3.190 1.00 90.75 13 A 1 ATOM 97 N N . LEU A 1 14 ? 3.410 2.485 0.192 1.00 98.25 14 A 1 ATOM 98 C CA . LEU A 1 14 ? 4.119 2.860 1.422 1.00 98.16 14 A 1 ATOM 99 C C . LEU A 1 14 ? 5.277 1.903 1.685 1.00 98.41 14 A 1 ATOM 100 O O . LEU A 1 14 ? 6.370 2.324 2.066 1.00 98.19 14 A 1 ATOM 101 C CB . LEU A 1 14 ? 3.136 2.820 2.594 1.00 97.87 14 A 1 ATOM 102 C CG . LEU A 1 14 ? 3.735 3.460 3.848 1.00 93.87 14 A 1 ATOM 103 C CD1 . LEU A 1 14 ? 3.808 4.973 3.678 1.00 91.14 14 A 1 ATOM 104 C CD2 . LEU A 1 14 ? 2.887 3.118 5.063 1.00 92.31 14 A 1 ATOM 105 N N . ALA A 1 15 ? 5.039 0.620 1.491 1.00 98.51 15 A 1 ATOM 106 C CA . ALA A 1 15 ? 6.077 -0.392 1.716 1.00 98.43 15 A 1 ATOM 107 C C . ALA A 1 15 ? 7.249 -0.175 0.763 1.00 98.51 15 A 1 ATOM 108 O O . ALA A 1 15 ? 8.410 -0.283 1.159 1.00 98.14 15 A 1 ATOM 109 C CB . ALA A 1 15 ? 5.478 -1.780 1.505 1.00 98.12 15 A 1 ATOM 110 N N . ALA A 1 16 ? 6.950 0.128 -0.480 1.00 98.43 16 A 1 ATOM 111 C CA . ALA A 1 16 ? 7.999 0.354 -1.479 1.00 98.22 16 A 1 ATOM 112 C C . ALA A 1 16 ? 8.828 1.584 -1.116 1.00 98.40 16 A 1 ATOM 113 O O . ALA A 1 16 ? 10.048 1.591 -1.274 1.00 98.01 16 A 1 ATOM 114 C CB . ALA A 1 16 ? 7.353 0.536 -2.846 1.00 97.74 16 A 1 ATOM 115 N N . SER A 1 17 ? 8.182 2.613 -0.619 1.00 98.44 17 A 1 ATOM 116 C CA . SER A 1 17 ? 8.874 3.847 -0.229 1.00 98.29 17 A 1 ATOM 117 C C . SER A 1 17 ? 9.812 3.588 0.947 1.00 98.46 17 A 1 ATOM 118 O O . SER A 1 17 ? 10.915 4.127 1.008 1.00 98.09 17 A 1 ATOM 119 C CB . SER A 1 17 ? 7.839 4.900 0.158 1.00 97.73 17 A 1 ATOM 120 O OG . SER A 1 17 ? 8.421 6.173 0.107 1.00 88.40 17 A 1 ATOM 121 N N . ALA A 1 18 ? 9.380 2.764 1.876 1.00 98.49 18 A 1 ATOM 122 C CA . ALA A 1 18 ? 10.194 2.430 3.052 1.00 98.43 18 A 1 ATOM 123 C C . ALA A 1 18 ? 11.464 1.699 2.632 1.00 98.56 18 A 1 ATOM 124 O O . ALA A 1 18 ? 12.524 1.887 3.230 1.00 98.23 18 A 1 ATOM 125 C CB . ALA A 1 18 ? 9.377 1.554 3.993 1.00 98.08 18 A 1 ATOM 126 N N . ALA A 1 19 ? 11.366 0.863 1.619 1.00 98.23 19 A 1 ATOM 127 C CA . ALA A 1 19 ? 12.523 0.103 1.134 1.00 98.17 19 A 1 ATOM 128 C C . ALA A 1 19 ? 13.616 1.043 0.640 1.00 98.26 19 A 1 ATOM 129 O O . ALA A 1 19 ? 14.804 0.762 0.782 1.00 97.78 19 A 1 ATOM 130 C CB . ALA A 1 19 ? 12.077 -0.828 0.012 1.00 97.78 19 A 1 ATOM 131 N N . TYR A 1 20 ? 13.219 2.164 0.055 1.00 97.52 20 A 1 ATOM 132 C CA . TYR A 1 20 ? 14.186 3.148 -0.450 1.00 97.11 20 A 1 ATOM 133 C C . TYR A 1 20 ? 14.998 3.734 0.704 1.00 96.94 20 A 1 ATOM 134 O O . TYR A 1 20 ? 16.197 3.973 0.587 1.00 95.48 20 A 1 ATOM 135 C CB . TYR A 1 20 ? 13.429 4.266 -1.178 1.00 96.34 20 A 1 ATOM 136 C CG . TYR A 1 20 ? 14.392 5.170 -1.921 1.00 93.60 20 A 1 ATOM 137 C CD1 . TYR A 1 20 ? 14.933 6.291 -1.300 1.00 92.20 20 A 1 ATOM 138 C CD2 . TYR A 1 20 ? 14.757 4.886 -3.234 1.00 92.28 20 A 1 ATOM 139 C CE1 . TYR A 1 20 ? 15.825 7.120 -1.977 1.00 91.90 20 A 1 ATOM 140 C CE2 . TYR A 1 20 ? 15.650 5.713 -3.923 1.00 91.89 20 A 1 ATOM 141 C CZ . TYR A 1 20 ? 16.175 6.826 -3.284 1.00 92.22 20 A 1 ATOM 142 O OH . TYR A 1 20 ? 17.057 7.649 -3.957 1.00 91.21 20 A 1 ATOM 143 N N . ALA A 1 21 ? 14.339 3.955 1.839 1.00 95.54 21 A 1 ATOM 144 C CA . ALA A 1 21 ? 15.007 4.503 3.029 1.00 93.85 21 A 1 ATOM 145 C C . ALA A 1 21 ? 15.706 5.814 2.668 1.00 91.86 21 A 1 ATOM 146 O O . ALA A 1 21 ? 15.029 6.849 2.601 1.00 86.94 21 A 1 ATOM 147 C CB . ALA A 1 21 ? 16.005 3.482 3.563 1.00 90.89 21 A 1 ATOM 148 O OXT . ALA A 1 21 ? 16.904 5.812 2.471 1.00 83.10 21 A 1 #