# 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_spkb32642 # _entry.id spkb32642 # 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" "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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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 GLY 2 1 n SER 3 1 n THR 4 1 n VAL 5 1 n ALA 6 1 n ALA 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n PHE 12 1 n LEU 13 1 n ALA 14 1 n ALA 15 1 n VAL 16 1 n PRO 17 1 n ALA 18 1 n VAL 19 1 n PHE 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 @ 2025-07-02 22:41:29)" _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 94.34 _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 80.35 1 1 A GLY 2 2 91.19 1 2 A SER 3 2 92.45 1 3 A THR 4 2 93.97 1 4 A VAL 5 2 96.05 1 5 A ALA 6 2 97.59 1 6 A ALA 7 2 97.53 1 7 A ALA 8 2 97.65 1 8 A LEU 9 2 95.56 1 9 A LEU 10 2 95.82 1 10 A LEU 11 2 95.78 1 11 A PHE 12 2 95.13 1 12 A LEU 13 2 95.29 1 13 A ALA 14 2 96.87 1 14 A ALA 15 2 97.35 1 15 A VAL 16 2 96.37 1 16 A PRO 17 2 96.56 1 17 A ALA 18 2 96.63 1 18 A VAL 19 2 95.44 1 19 A PHE 20 2 93.35 1 20 A ALA 21 2 88.01 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 GLY . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ALA . 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 PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n PHE . 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 ? -13.939 0.662 14.722 1.00 85.07 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.648 0.026 14.393 1.00 86.87 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.838 -1.066 13.346 1.00 88.05 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.790 -1.837 13.421 1.00 84.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.024 -0.584 15.648 1.00 81.47 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.710 0.453 16.707 1.00 77.58 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.004 -0.278 18.194 1.00 74.04 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.777 1.193 19.176 1.00 64.99 1 A 1 ATOM 9 N N . GLY A 1 2 ? -11.940 -1.129 12.382 1.00 87.19 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -12.024 -2.134 11.340 1.00 91.19 2 A 1 ATOM 11 C C . GLY A 1 2 ? -10.658 -2.647 10.918 1.00 93.95 2 A 1 ATOM 12 O O . GLY A 1 2 ? -9.666 -1.922 10.993 1.00 92.42 2 A 1 ATOM 13 N N . SER A 1 3 ? -10.614 -3.895 10.481 1.00 92.94 3 A 1 ATOM 14 C CA . SER A 1 3 ? -9.362 -4.515 10.046 1.00 95.41 3 A 1 ATOM 15 C C . SER A 1 3 ? -9.188 -4.408 8.537 1.00 96.93 3 A 1 ATOM 16 O O . SER A 1 3 ? -8.074 -4.418 8.020 1.00 95.36 3 A 1 ATOM 17 C CB . SER A 1 3 ? -9.323 -5.982 10.464 1.00 92.59 3 A 1 ATOM 18 O OG . SER A 1 3 ? -8.096 -6.569 10.083 1.00 81.47 3 A 1 ATOM 19 N N . THR A 1 4 ? -10.303 -4.293 7.826 1.00 94.85 4 A 1 ATOM 20 C CA . THR A 1 4 ? -10.281 -4.185 6.368 1.00 96.55 4 A 1 ATOM 21 C C . THR A 1 4 ? -9.552 -2.923 5.919 1.00 97.36 4 A 1 ATOM 22 O O . THR A 1 4 ? -8.755 -2.951 4.981 1.00 96.58 4 A 1 ATOM 23 C CB . THR A 1 4 ? -11.702 -4.164 5.799 1.00 94.94 4 A 1 ATOM 24 O OG1 . THR A 1 4 ? -12.430 -5.284 6.290 1.00 89.50 4 A 1 ATOM 25 C CG2 . THR A 1 4 ? -11.673 -4.202 4.284 1.00 87.99 4 A 1 ATOM 26 N N . VAL A 1 5 ? -9.817 -1.822 6.597 1.00 97.07 5 A 1 ATOM 27 C CA . VAL A 1 5 ? -9.182 -0.547 6.269 1.00 97.39 5 A 1 ATOM 28 C C . VAL A 1 5 ? -7.681 -0.616 6.510 1.00 97.82 5 A 1 ATOM 29 O O . VAL A 1 5 ? -6.884 -0.098 5.724 1.00 97.63 5 A 1 ATOM 30 C CB . VAL A 1 5 ? -9.784 0.598 7.093 1.00 96.44 5 A 1 ATOM 31 C CG1 . VAL A 1 5 ? -9.101 1.912 6.757 1.00 92.99 5 A 1 ATOM 32 C CG2 . VAL A 1 5 ? -11.279 0.696 6.848 1.00 92.99 5 A 1 ATOM 33 N N . ALA A 1 6 ? -7.300 -1.250 7.607 1.00 97.53 6 A 1 ATOM 34 C CA . ALA A 1 6 ? -5.890 -1.388 7.952 1.00 97.61 6 A 1 ATOM 35 C C . ALA A 1 6 ? -5.150 -2.209 6.904 1.00 98.01 6 A 1 ATOM 36 O O . ALA A 1 6 ? -4.035 -1.872 6.507 1.00 97.81 6 A 1 ATOM 37 C CB . ALA A 1 6 ? -5.751 -2.038 9.322 1.00 96.97 6 A 1 ATOM 38 N N . ALA A 1 7 ? -5.773 -3.283 6.448 1.00 97.60 7 A 1 ATOM 39 C CA . ALA A 1 7 ? -5.174 -4.145 5.435 1.00 97.57 7 A 1 ATOM 40 C C . ALA A 1 7 ? -4.995 -3.399 4.120 1.00 98.04 7 A 1 ATOM 41 O O . ALA A 1 7 ? -3.963 -3.520 3.459 1.00 97.55 7 A 1 ATOM 42 C CB . ALA A 1 7 ? -6.046 -5.375 5.224 1.00 96.89 7 A 1 ATOM 43 N N . ALA A 1 8 ? -6.001 -2.612 3.749 1.00 97.64 8 A 1 ATOM 44 C CA . ALA A 1 8 ? -5.948 -1.829 2.521 1.00 97.70 8 A 1 ATOM 45 C C . ALA A 1 8 ? -4.865 -0.763 2.604 1.00 98.03 8 A 1 ATOM 46 O O . ALA A 1 8 ? -4.129 -0.535 1.641 1.00 97.58 8 A 1 ATOM 47 C CB . ALA A 1 8 ? -7.300 -1.181 2.259 1.00 97.29 8 A 1 ATOM 48 N N . LEU A 1 9 ? -4.769 -0.120 3.758 1.00 97.54 9 A 1 ATOM 49 C CA . LEU A 1 9 ? -3.768 0.919 3.975 1.00 97.33 9 A 1 ATOM 50 C C . LEU A 1 9 ? -2.361 0.355 3.840 1.00 97.69 9 A 1 ATOM 51 O O . LEU A 1 9 ? -1.491 0.965 3.218 1.00 97.65 9 A 1 ATOM 52 C CB . LEU A 1 9 ? -3.945 1.537 5.359 1.00 96.93 9 A 1 ATOM 53 C CG . LEU A 1 9 ? -2.988 2.684 5.659 1.00 92.85 9 A 1 ATOM 54 C CD1 . LEU A 1 9 ? -3.212 3.840 4.702 1.00 92.41 9 A 1 ATOM 55 C CD2 . LEU A 1 9 ? -3.147 3.143 7.099 1.00 92.11 9 A 1 ATOM 56 N N . LEU A 1 10 ? -2.146 -0.805 4.423 1.00 97.36 10 A 1 ATOM 57 C CA . LEU A 1 10 ? -0.842 -1.456 4.367 1.00 97.05 10 A 1 ATOM 58 C C . LEU A 1 10 ? -0.496 -1.852 2.939 1.00 97.31 10 A 1 ATOM 59 O O . LEU A 1 10 ? 0.658 -1.755 2.516 1.00 97.06 10 A 1 ATOM 60 C CB . LEU A 1 10 ? -0.840 -2.694 5.267 1.00 96.73 10 A 1 ATOM 61 C CG . LEU A 1 10 ? -0.899 -2.389 6.762 1.00 94.37 10 A 1 ATOM 62 C CD1 . LEU A 1 10 ? -1.113 -3.671 7.555 1.00 93.46 10 A 1 ATOM 63 C CD2 . LEU A 1 10 ? 0.379 -1.699 7.218 1.00 93.22 10 A 1 ATOM 64 N N . LEU A 1 11 ? -1.492 -2.298 2.197 1.00 97.33 11 A 1 ATOM 65 C CA . LEU A 1 11 ? -1.300 -2.698 0.808 1.00 97.04 11 A 1 ATOM 66 C C . LEU A 1 11 ? -0.877 -1.510 -0.048 1.00 97.26 11 A 1 ATOM 67 O O . LEU A 1 11 ? 0.065 -1.604 -0.839 1.00 96.84 11 A 1 ATOM 68 C CB . LEU A 1 11 ? -2.585 -3.307 0.252 1.00 96.72 11 A 1 ATOM 69 C CG . LEU A 1 11 ? -2.459 -3.844 -1.169 1.00 94.46 11 A 1 ATOM 70 C CD1 . LEU A 1 11 ? -1.470 -4.999 -1.218 1.00 93.46 11 A 1 ATOM 71 C CD2 . LEU A 1 11 ? -3.818 -4.286 -1.686 1.00 93.09 11 A 1 ATOM 72 N N . PHE A 1 12 ? -1.577 -0.395 0.117 1.00 97.37 12 A 1 ATOM 73 C CA . PHE A 1 12 ? -1.261 0.819 -0.629 1.00 97.04 12 A 1 ATOM 74 C C . PHE A 1 12 ? 0.090 1.375 -0.206 1.00 97.43 12 A 1 ATOM 75 O O . PHE A 1 12 ? 0.864 1.862 -1.034 1.00 97.15 12 A 1 ATOM 76 C CB . PHE A 1 12 ? -2.347 1.869 -0.402 1.00 96.70 12 A 1 ATOM 77 C CG . PHE A 1 12 ? -3.561 1.649 -1.267 1.00 95.18 12 A 1 ATOM 78 C CD1 . PHE A 1 12 ? -4.431 0.613 -1.010 1.00 93.34 12 A 1 ATOM 79 C CD2 . PHE A 1 12 ? -3.816 2.493 -2.339 1.00 93.60 12 A 1 ATOM 80 C CE1 . PHE A 1 12 ? -5.539 0.398 -1.816 1.00 92.63 12 A 1 ATOM 81 C CE2 . PHE A 1 12 ? -4.926 2.287 -3.142 1.00 92.59 12 A 1 ATOM 82 C CZ . PHE A 1 12 ? -5.790 1.239 -2.884 1.00 93.43 12 A 1 ATOM 83 N N . LEU A 1 13 ? 0.377 1.292 1.086 1.00 97.06 13 A 1 ATOM 84 C CA . LEU A 1 13 ? 1.642 1.777 1.625 1.00 96.73 13 A 1 ATOM 85 C C . LEU A 1 13 ? 2.808 0.950 1.097 1.00 97.12 13 A 1 ATOM 86 O O . LEU A 1 13 ? 3.916 1.460 0.919 1.00 96.85 13 A 1 ATOM 87 C CB . LEU A 1 13 ? 1.617 1.720 3.154 1.00 96.23 13 A 1 ATOM 88 C CG . LEU A 1 13 ? 2.844 2.332 3.825 1.00 93.47 13 A 1 ATOM 89 C CD1 . LEU A 1 13 ? 2.951 3.814 3.506 1.00 92.65 13 A 1 ATOM 90 C CD2 . LEU A 1 13 ? 2.786 2.112 5.329 1.00 92.22 13 A 1 ATOM 91 N N . ALA A 1 14 ? 2.562 -0.328 0.853 1.00 97.28 14 A 1 ATOM 92 C CA . ALA A 1 14 ? 3.594 -1.223 0.335 1.00 97.01 14 A 1 ATOM 93 C C . ALA A 1 14 ? 3.822 -1.007 -1.156 1.00 97.36 14 A 1 ATOM 94 O O . ALA A 1 14 ? 4.886 -1.331 -1.685 1.00 96.30 14 A 1 ATOM 95 C CB . ALA A 1 14 ? 3.198 -2.673 0.599 1.00 96.38 14 A 1 ATOM 96 N N . ALA A 1 15 ? 2.823 -0.458 -1.835 1.00 97.75 15 A 1 ATOM 97 C CA . ALA A 1 15 ? 2.915 -0.205 -3.268 1.00 97.54 15 A 1 ATOM 98 C C . ALA A 1 15 ? 3.792 1.005 -3.568 1.00 97.66 15 A 1 ATOM 99 O O . ALA A 1 15 ? 4.421 1.078 -4.625 1.00 96.68 15 A 1 ATOM 100 C CB . ALA A 1 15 ? 1.519 0.004 -3.850 1.00 97.10 15 A 1 ATOM 101 N N . VAL A 1 16 ? 3.841 1.954 -2.643 1.00 97.61 16 A 1 ATOM 102 C CA . VAL A 1 16 ? 4.654 3.160 -2.816 1.00 97.22 16 A 1 ATOM 103 C C . VAL A 1 16 ? 6.153 2.844 -2.817 1.00 97.38 16 A 1 ATOM 104 O O . VAL A 1 16 ? 6.874 3.258 -3.733 1.00 97.06 16 A 1 ATOM 105 C CB . VAL A 1 16 ? 4.332 4.199 -1.731 1.00 96.35 16 A 1 ATOM 106 C CG1 . VAL A 1 16 ? 5.238 5.415 -1.870 1.00 94.39 16 A 1 ATOM 107 C CG2 . VAL A 1 16 ? 2.874 4.612 -1.812 1.00 94.55 16 A 1 ATOM 108 N N . PRO A 1 17 ? 6.630 2.125 -1.798 1.00 97.49 17 A 1 ATOM 109 C CA . PRO A 1 17 ? 8.059 1.786 -1.719 1.00 97.06 17 A 1 ATOM 110 C C . PRO A 1 17 ? 8.505 0.939 -2.896 1.00 97.26 17 A 1 ATOM 111 O O . PRO A 1 17 ? 9.663 1.007 -3.312 1.00 96.32 17 A 1 ATOM 112 C CB . PRO A 1 17 ? 8.175 0.982 -0.419 1.00 95.82 17 A 1 ATOM 113 C CG . PRO A 1 17 ? 6.966 1.344 0.361 1.00 95.11 17 A 1 ATOM 114 C CD . PRO A 1 17 ? 5.894 1.636 -0.659 1.00 96.86 17 A 1 ATOM 115 N N . ALA A 1 18 ? 7.608 0.138 -3.441 1.00 97.20 18 A 1 ATOM 116 C CA . ALA A 1 18 ? 7.920 -0.723 -4.577 1.00 96.87 18 A 1 ATOM 117 C C . ALA A 1 18 ? 8.378 0.100 -5.775 1.00 97.22 18 A 1 ATOM 118 O O . ALA A 1 18 ? 9.289 -0.293 -6.503 1.00 95.85 18 A 1 ATOM 119 C CB . ALA A 1 18 ? 6.697 -1.558 -4.948 1.00 96.02 18 A 1 ATOM 120 N N . VAL A 1 19 ? 7.749 1.257 -5.980 1.00 97.13 19 A 1 ATOM 121 C CA . VAL A 1 19 ? 8.113 2.153 -7.077 1.00 96.77 19 A 1 ATOM 122 C C . VAL A 1 19 ? 9.307 3.021 -6.698 1.00 97.09 19 A 1 ATOM 123 O O . VAL A 1 19 ? 10.139 3.369 -7.543 1.00 96.38 19 A 1 ATOM 124 C CB . VAL A 1 19 ? 6.929 3.047 -7.468 1.00 95.65 19 A 1 ATOM 125 C CG1 . VAL A 1 19 ? 7.310 3.971 -8.616 1.00 92.75 19 A 1 ATOM 126 C CG2 . VAL A 1 19 ? 5.722 2.202 -7.839 1.00 92.28 19 A 1 ATOM 127 N N . PHE A 1 20 ? 9.371 3.378 -5.418 1.00 96.62 20 A 1 ATOM 128 C CA . PHE A 1 20 ? 10.459 4.211 -4.913 1.00 96.26 20 A 1 ATOM 129 C C . PHE A 1 20 ? 11.805 3.503 -5.033 1.00 96.63 20 A 1 ATOM 130 O O . PHE A 1 20 ? 12.835 4.137 -5.269 1.00 95.85 20 A 1 ATOM 131 C CB . PHE A 1 20 ? 10.192 4.576 -3.454 1.00 95.01 20 A 1 ATOM 132 C CG . PHE A 1 20 ? 11.267 5.433 -2.855 1.00 93.50 20 A 1 ATOM 133 C CD1 . PHE A 1 20 ? 12.341 4.854 -2.200 1.00 91.16 20 A 1 ATOM 134 C CD2 . PHE A 1 20 ? 11.212 6.809 -2.960 1.00 91.32 20 A 1 ATOM 135 C CE1 . PHE A 1 20 ? 13.345 5.637 -1.658 1.00 90.56 20 A 1 ATOM 136 C CE2 . PHE A 1 20 ? 12.216 7.599 -2.419 1.00 89.88 20 A 1 ATOM 137 C CZ . PHE A 1 20 ? 13.284 7.013 -1.768 1.00 90.09 20 A 1 ATOM 138 N N . ALA A 1 21 ? 11.781 2.203 -4.883 1.00 93.58 21 A 1 ATOM 139 C CA . ALA A 1 21 ? 13.007 1.408 -4.956 1.00 91.99 21 A 1 ATOM 140 C C . ALA A 1 21 ? 13.123 0.734 -6.318 1.00 88.85 21 A 1 ATOM 141 O O . ALA A 1 21 ? 13.819 -0.280 -6.449 1.00 85.24 21 A 1 ATOM 142 C CB . ALA A 1 21 ? 13.031 0.389 -3.826 1.00 87.85 21 A 1 ATOM 143 O OXT . ALA A 1 21 ? 12.516 1.241 -7.293 1.00 80.55 21 A 1 #