# 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_spkb41269 # _entry.id spkb41269 # 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 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" "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 GLN 2 1 n PHE 3 1 n SER 4 1 n THR 5 1 n VAL 6 1 n ILE 7 1 n SER 8 1 n ALA 9 1 n LEU 10 1 n THR 11 1 n LEU 12 1 n SER 13 1 n ALA 14 1 n VAL 15 1 n ALA 16 1 n VAL 17 1 n PHE 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 @ 2025-07-09 19:37:11)" _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 95.27 _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 85.75 1 1 A GLN 2 2 89.00 1 2 A PHE 3 2 91.69 1 3 A SER 4 2 95.51 1 4 A THR 5 2 96.41 1 5 A VAL 6 2 97.77 1 6 A ILE 7 2 95.86 1 7 A SER 8 2 96.56 1 8 A ALA 9 2 98.28 1 9 A LEU 10 2 97.24 1 10 A THR 11 2 97.56 1 11 A LEU 12 2 97.52 1 12 A SER 13 2 97.33 1 13 A ALA 14 2 98.44 1 14 A VAL 15 2 98.35 1 15 A ALA 16 2 98.67 1 16 A VAL 17 2 97.65 1 17 A PHE 18 2 95.55 1 18 A ALA 19 2 92.17 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 GLN . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n PHE . 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 ? 0.469 3.142 13.998 1.00 90.57 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.871 3.446 13.648 1.00 91.60 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.188 2.885 12.270 1.00 92.82 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.586 1.905 11.841 1.00 90.70 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.812 2.835 14.693 1.00 87.45 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.561 3.420 16.075 1.00 83.54 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.280 2.424 17.383 1.00 80.26 1 A 1 ATOM 8 C CE . MET A 1 1 ? 2.379 3.060 18.782 1.00 69.04 1 A 1 ATOM 9 N N . GLN A 1 2 ? 3.130 3.538 11.601 1.00 92.73 2 A 1 ATOM 10 C CA . GLN A 1 2 ? 3.510 3.103 10.251 1.00 95.17 2 A 1 ATOM 11 C C . GLN A 1 2 ? 2.301 3.094 9.317 1.00 96.17 2 A 1 ATOM 12 O O . GLN A 1 2 ? 2.191 2.246 8.434 1.00 95.08 2 A 1 ATOM 13 C CB . GLN A 1 2 ? 4.153 1.715 10.311 1.00 92.57 2 A 1 ATOM 14 C CG . GLN A 1 2 ? 5.354 1.686 11.233 1.00 86.83 2 A 1 ATOM 15 C CD . GLN A 1 2 ? 6.309 0.567 10.869 1.00 85.68 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? 5.895 -0.573 10.735 1.00 79.39 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? 7.580 0.869 10.707 1.00 77.35 2 A 1 ATOM 18 N N . PHE A 1 3 ? 1.411 4.040 9.530 1.00 94.79 3 A 1 ATOM 19 C CA . PHE A 1 3 ? 0.226 4.149 8.687 1.00 95.52 3 A 1 ATOM 20 C C . PHE A 1 3 ? 0.628 4.495 7.259 1.00 97.06 3 A 1 ATOM 21 O O . PHE A 1 3 ? -0.047 4.118 6.300 1.00 96.73 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -0.699 5.226 9.249 1.00 93.87 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -1.404 4.775 10.504 1.00 90.59 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -2.467 3.890 10.421 1.00 88.51 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -0.998 5.232 11.747 1.00 88.95 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -3.123 3.462 11.566 1.00 88.36 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -1.645 4.808 12.902 1.00 87.58 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -2.711 3.923 12.810 1.00 86.60 3 A 1 ATOM 29 N N . SER A 1 4 ? 1.733 5.191 7.121 1.00 96.79 4 A 1 ATOM 30 C CA . SER A 1 4 ? 2.243 5.568 5.806 1.00 97.40 4 A 1 ATOM 31 C C . SER A 1 4 ? 2.575 4.324 4.986 1.00 97.98 4 A 1 ATOM 32 O O . SER A 1 4 ? 2.374 4.281 3.776 1.00 97.59 4 A 1 ATOM 33 C CB . SER A 1 4 ? 3.482 6.442 5.976 1.00 96.48 4 A 1 ATOM 34 O OG . SER A 1 4 ? 3.620 7.318 4.883 1.00 86.81 4 A 1 ATOM 35 N N . THR A 1 5 ? 3.066 3.306 5.664 1.00 97.46 5 A 1 ATOM 36 C CA . THR A 1 5 ? 3.409 2.042 5.013 1.00 97.76 5 A 1 ATOM 37 C C . THR A 1 5 ? 2.150 1.339 4.520 1.00 98.12 5 A 1 ATOM 38 O O . THR A 1 5 ? 2.135 0.750 3.441 1.00 97.97 5 A 1 ATOM 39 C CB . THR A 1 5 ? 4.159 1.126 5.988 1.00 97.34 5 A 1 ATOM 40 O OG1 . THR A 1 5 ? 5.244 1.845 6.572 1.00 93.66 5 A 1 ATOM 41 C CG2 . THR A 1 5 ? 4.704 -0.096 5.272 1.00 92.54 5 A 1 ATOM 42 N N . VAL A 1 6 ? 1.100 1.410 5.317 1.00 98.14 6 A 1 ATOM 43 C CA . VAL A 1 6 ? -0.173 0.790 4.953 1.00 98.33 6 A 1 ATOM 44 C C . VAL A 1 6 ? -0.741 1.453 3.702 1.00 98.49 6 A 1 ATOM 45 O O . VAL A 1 6 ? -1.212 0.781 2.786 1.00 98.41 6 A 1 ATOM 46 C CB . VAL A 1 6 ? -1.178 0.897 6.112 1.00 98.06 6 A 1 ATOM 47 C CG1 . VAL A 1 6 ? -2.507 0.274 5.723 1.00 96.49 6 A 1 ATOM 48 C CG2 . VAL A 1 6 ? -0.619 0.213 7.355 1.00 96.45 6 A 1 ATOM 49 N N . ILE A 1 7 ? -0.684 2.756 3.674 1.00 98.13 7 A 1 ATOM 50 C CA . ILE A 1 7 ? -1.183 3.514 2.532 1.00 98.04 7 A 1 ATOM 51 C C . ILE A 1 7 ? -0.337 3.227 1.297 1.00 98.20 7 A 1 ATOM 52 O O . ILE A 1 7 ? -0.864 3.045 0.194 1.00 98.26 7 A 1 ATOM 53 C CB . ILE A 1 7 ? -1.181 5.017 2.857 1.00 97.82 7 A 1 ATOM 54 C CG1 . ILE A 1 7 ? -2.133 5.298 4.028 1.00 95.22 7 A 1 ATOM 55 C CG2 . ILE A 1 7 ? -1.623 5.820 1.628 1.00 94.48 7 A 1 ATOM 56 C CD1 . ILE A 1 7 ? -1.956 6.689 4.604 1.00 86.69 7 A 1 ATOM 57 N N . SER A 1 8 ? 0.962 3.173 1.483 1.00 98.21 8 A 1 ATOM 58 C CA . SER A 1 8 ? 1.878 2.884 0.381 1.00 98.13 8 A 1 ATOM 59 C C . SER A 1 8 ? 1.620 1.492 -0.182 1.00 98.38 8 A 1 ATOM 60 O O . SER A 1 8 ? 1.596 1.292 -1.394 1.00 98.15 8 A 1 ATOM 61 C CB . SER A 1 8 ? 3.321 2.991 0.862 1.00 97.53 8 A 1 ATOM 62 O OG . SER A 1 8 ? 3.625 4.326 1.219 1.00 88.97 8 A 1 ATOM 63 N N . ALA A 1 9 ? 1.412 0.539 0.713 1.00 98.19 9 A 1 ATOM 64 C CA . ALA A 1 9 ? 1.135 -0.834 0.303 1.00 98.29 9 A 1 ATOM 65 C C . ALA A 1 9 ? -0.187 -0.912 -0.455 1.00 98.51 9 A 1 ATOM 66 O O . ALA A 1 9 ? -0.315 -1.656 -1.426 1.00 98.34 9 A 1 ATOM 67 C CB . ALA A 1 9 ? 1.095 -1.731 1.533 1.00 98.06 9 A 1 ATOM 68 N N . LEU A 1 10 ? -1.157 -0.133 -0.002 1.00 98.33 10 A 1 ATOM 69 C CA . LEU A 1 10 ? -2.469 -0.100 -0.643 1.00 98.33 10 A 1 ATOM 70 C C . LEU A 1 10 ? -2.345 0.438 -2.059 1.00 98.50 10 A 1 ATOM 71 O O . LEU A 1 10 ? -2.957 -0.083 -2.993 1.00 98.37 10 A 1 ATOM 72 C CB . LEU A 1 10 ? -3.415 0.770 0.190 1.00 98.15 10 A 1 ATOM 73 C CG . LEU A 1 10 ? -4.842 0.234 0.233 1.00 96.31 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? -5.557 0.722 1.481 1.00 95.02 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? -5.610 0.660 -1.004 1.00 94.94 10 A 1 ATOM 76 N N . THR A 1 11 ? -1.548 1.469 -2.210 1.00 98.36 11 A 1 ATOM 77 C CA . THR A 1 11 ? -1.322 2.073 -3.520 1.00 98.41 11 A 1 ATOM 78 C C . THR A 1 11 ? -0.643 1.076 -4.450 1.00 98.55 11 A 1 ATOM 79 O O . THR A 1 11 ? -1.024 0.936 -5.614 1.00 98.36 11 A 1 ATOM 80 C CB . THR A 1 11 ? -0.454 3.329 -3.383 1.00 98.11 11 A 1 ATOM 81 O OG1 . THR A 1 11 ? -1.029 4.205 -2.419 1.00 95.89 11 A 1 ATOM 82 C CG2 . THR A 1 11 ? -0.355 4.063 -4.713 1.00 95.24 11 A 1 ATOM 83 N N . LEU A 1 12 ? 0.347 0.385 -3.936 1.00 98.68 12 A 1 ATOM 84 C CA . LEU A 1 12 ? 1.073 -0.601 -4.728 1.00 98.59 12 A 1 ATOM 85 C C . LEU A 1 12 ? 0.145 -1.728 -5.165 1.00 98.68 12 A 1 ATOM 86 O O . LEU A 1 12 ? 0.209 -2.195 -6.302 1.00 98.51 12 A 1 ATOM 87 C CB . LEU A 1 12 ? 2.239 -1.174 -3.919 1.00 98.33 12 A 1 ATOM 88 C CG . LEU A 1 12 ? 3.537 -1.230 -4.726 1.00 96.62 12 A 1 ATOM 89 C CD1 . LEU A 1 12 ? 4.471 -0.101 -4.321 1.00 95.36 12 A 1 ATOM 90 C CD2 . LEU A 1 12 ? 4.219 -2.570 -4.544 1.00 95.42 12 A 1 ATOM 91 N N . SER A 1 13 ? -0.720 -2.154 -4.253 1.00 98.56 13 A 1 ATOM 92 C CA . SER A 1 13 ? -1.665 -3.225 -4.550 1.00 98.49 13 A 1 ATOM 93 C C . SER A 1 13 ? -2.652 -2.788 -5.626 1.00 98.62 13 A 1 ATOM 94 O O . SER A 1 13 ? -2.929 -3.531 -6.565 1.00 98.25 13 A 1 ATOM 95 C CB . SER A 1 13 ? -2.418 -3.622 -3.284 1.00 98.02 13 A 1 ATOM 96 O OG . SER A 1 13 ? -1.513 -4.037 -2.282 1.00 92.05 13 A 1 ATOM 97 N N . ALA A 1 14 ? -3.165 -1.580 -5.481 1.00 98.52 14 A 1 ATOM 98 C CA . ALA A 1 14 ? -4.117 -1.043 -6.447 1.00 98.50 14 A 1 ATOM 99 C C . ALA A 1 14 ? -3.471 -0.899 -7.822 1.00 98.63 14 A 1 ATOM 100 O O . ALA A 1 14 ? -4.079 -1.231 -8.840 1.00 98.36 14 A 1 ATOM 101 C CB . ALA A 1 14 ? -4.634 0.305 -5.956 1.00 98.18 14 A 1 ATOM 102 N N . VAL A 1 15 ? -2.242 -0.421 -7.849 1.00 98.80 15 A 1 ATOM 103 C CA . VAL A 1 15 ? -1.512 -0.247 -9.104 1.00 98.78 15 A 1 ATOM 104 C C . VAL A 1 15 ? -1.234 -1.598 -9.750 1.00 98.83 15 A 1 ATOM 105 O O . VAL A 1 15 ? -1.325 -1.746 -10.968 1.00 98.66 15 A 1 ATOM 106 C CB . VAL A 1 15 ? -0.197 0.509 -8.858 1.00 98.50 15 A 1 ATOM 107 C CG1 . VAL A 1 15 ? 0.642 0.559 -10.129 1.00 97.28 15 A 1 ATOM 108 C CG2 . VAL A 1 15 ? -0.490 1.926 -8.389 1.00 97.58 15 A 1 ATOM 109 N N . ALA A 1 16 ? -0.900 -2.576 -8.931 1.00 98.79 16 A 1 ATOM 110 C CA . ALA A 1 16 ? -0.610 -3.919 -9.429 1.00 98.76 16 A 1 ATOM 111 C C . ALA A 1 16 ? -1.843 -4.530 -10.090 1.00 98.78 16 A 1 ATOM 112 O O . ALA A 1 16 ? -1.738 -5.226 -11.097 1.00 98.49 16 A 1 ATOM 113 C CB . ALA A 1 16 ? -0.135 -4.800 -8.282 1.00 98.55 16 A 1 ATOM 114 N N . VAL A 1 17 ? -3.009 -4.273 -9.515 1.00 98.59 17 A 1 ATOM 115 C CA . VAL A 1 17 ? -4.262 -4.796 -10.065 1.00 98.47 17 A 1 ATOM 116 C C . VAL A 1 17 ? -4.668 -4.028 -11.316 1.00 98.52 17 A 1 ATOM 117 O O . VAL A 1 17 ? -5.205 -4.603 -12.266 1.00 98.19 17 A 1 ATOM 118 C CB . VAL A 1 17 ? -5.384 -4.723 -9.017 1.00 97.93 17 A 1 ATOM 119 C CG1 . VAL A 1 17 ? -6.705 -5.198 -9.609 1.00 96.13 17 A 1 ATOM 120 C CG2 . VAL A 1 17 ? -5.028 -5.571 -7.805 1.00 95.73 17 A 1 ATOM 121 N N . PHE A 1 18 ? -4.416 -2.736 -11.300 1.00 98.22 18 A 1 ATOM 122 C CA . PHE A 1 18 ? -4.775 -1.881 -12.430 1.00 98.05 18 A 1 ATOM 123 C C . PHE A 1 18 ? -3.775 -2.007 -13.576 1.00 98.25 18 A 1 ATOM 124 O O . PHE A 1 18 ? -4.140 -1.929 -14.747 1.00 97.78 18 A 1 ATOM 125 C CB . PHE A 1 18 ? -4.857 -0.428 -11.962 1.00 97.38 18 A 1 ATOM 126 C CG . PHE A 1 18 ? -6.034 0.296 -12.557 1.00 95.54 18 A 1 ATOM 127 C CD1 . PHE A 1 18 ? -7.306 0.121 -12.033 1.00 93.26 18 A 1 ATOM 128 C CD2 . PHE A 1 18 ? -5.861 1.142 -13.639 1.00 93.98 18 A 1 ATOM 129 C CE1 . PHE A 1 18 ? -8.396 0.780 -12.579 1.00 93.14 18 A 1 ATOM 130 C CE2 . PHE A 1 18 ? -6.948 1.808 -14.197 1.00 92.67 18 A 1 ATOM 131 C CZ . PHE A 1 18 ? -8.219 1.629 -13.666 1.00 92.80 18 A 1 ATOM 132 N N . ALA A 1 19 ? -2.525 -2.194 -13.227 1.00 96.66 19 A 1 ATOM 133 C CA . ALA A 1 19 ? -1.461 -2.288 -14.220 1.00 95.20 19 A 1 ATOM 134 C C . ALA A 1 19 ? -1.214 -3.725 -14.668 1.00 93.57 19 A 1 ATOM 135 O O . ALA A 1 19 ? -1.707 -4.659 -14.015 1.00 90.39 19 A 1 ATOM 136 C CB . ALA A 1 19 ? -0.188 -1.674 -13.653 1.00 92.38 19 A 1 ATOM 137 O OXT . ALA A 1 19 ? -0.499 -3.920 -15.667 1.00 84.82 19 A 1 #