# 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_spkb29805 # _entry.id spkb29805 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 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" # _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 ASP 2 1 n LEU 3 1 n ARG 4 1 n GLN 5 1 n PHE 6 1 n LEU 7 1 n LEU 8 1 n CYS 9 1 n LEU 10 1 n SER 11 1 n LEU 12 1 n CYS 13 1 n THR 14 1 n ALA 15 1 n PHE 16 1 n ALA 17 1 n LEU 18 1 n SER 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 @ 2025-07-03 01:16:36)" _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 93.90 _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 84.53 1 1 A ASP 2 2 91.35 1 2 A LEU 3 2 94.39 1 3 A ARG 4 2 89.64 1 4 A GLN 5 2 93.93 1 5 A PHE 6 2 95.51 1 6 A LEU 7 2 96.02 1 7 A LEU 8 2 96.07 1 8 A CYS 9 2 96.29 1 9 A LEU 10 2 95.59 1 10 A SER 11 2 96.10 1 11 A LEU 12 2 96.35 1 12 A CYS 13 2 97.22 1 13 A THR 14 2 96.13 1 14 A ALA 15 2 98.13 1 15 A PHE 16 2 94.24 1 16 A ALA 17 2 97.23 1 17 A LEU 18 2 94.09 1 18 A SER 19 2 86.27 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 ASP . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 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 ? -12.771 -3.565 2.813 1.00 91.47 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.432 -2.955 2.802 1.00 93.06 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.529 -1.438 2.819 1.00 95.11 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.225 -0.856 1.987 1.00 94.20 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.656 -3.403 1.566 1.00 87.76 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.233 -3.826 1.872 1.00 78.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.524 -4.778 0.522 1.00 73.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.944 -5.211 1.225 1.00 62.91 1 A 1 ATOM 9 N N . ASP A 1 2 ? -10.878 -0.822 3.765 1.00 94.68 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -10.912 0.627 3.919 1.00 96.68 2 A 1 ATOM 11 C C . ASP A 1 2 ? -9.732 1.283 3.209 1.00 97.53 2 A 1 ATOM 12 O O . ASP A 1 2 ? -8.734 0.626 2.908 1.00 96.55 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -10.886 0.984 5.403 1.00 94.08 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -11.971 1.964 5.785 1.00 84.82 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -12.950 2.097 5.028 1.00 84.83 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -11.834 2.584 6.851 1.00 81.67 2 A 1 ATOM 17 N N . LEU A 1 3 ? -9.854 2.576 2.964 1.00 97.50 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -8.789 3.341 2.319 1.00 97.82 3 A 1 ATOM 19 C C . LEU A 1 3 ? -7.540 3.399 3.195 1.00 98.18 3 A 1 ATOM 20 O O . LEU A 1 3 ? -6.425 3.543 2.692 1.00 97.75 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -9.277 4.762 2.016 1.00 97.44 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -9.620 5.064 0.557 1.00 91.94 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -8.400 4.964 -0.333 1.00 87.56 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -10.732 4.167 0.054 1.00 86.91 3 A 1 ATOM 25 N N . ARG A 1 4 ? -7.756 3.300 4.498 1.00 96.99 4 A 1 ATOM 26 C CA . ARG A 1 4 ? -6.664 3.346 5.474 1.00 97.64 4 A 1 ATOM 27 C C . ARG A 1 4 ? -5.630 2.249 5.225 1.00 97.84 4 A 1 ATOM 28 O O . ARG A 1 4 ? -4.431 2.514 5.220 1.00 97.28 4 A 1 ATOM 29 C CB . ARG A 1 4 ? -7.233 3.214 6.886 1.00 97.18 4 A 1 ATOM 30 C CG . ARG A 1 4 ? -6.281 3.754 7.930 1.00 92.63 4 A 1 ATOM 31 C CD . ARG A 1 4 ? -6.562 3.146 9.287 1.00 88.64 4 A 1 ATOM 32 N NE . ARG A 1 4 ? -7.909 3.489 9.765 1.00 83.85 4 A 1 ATOM 33 C CZ . ARG A 1 4 ? -8.483 2.915 10.805 1.00 81.76 4 A 1 ATOM 34 N NH1 . ARG A 1 4 ? -7.866 1.974 11.497 1.00 76.78 4 A 1 ATOM 35 N NH2 . ARG A 1 4 ? -9.698 3.282 11.161 1.00 75.40 4 A 1 ATOM 36 N N . GLN A 1 5 ? -6.106 1.031 5.015 1.00 97.57 5 A 1 ATOM 37 C CA . GLN A 1 5 ? -5.224 -0.110 4.761 1.00 97.83 5 A 1 ATOM 38 C C . GLN A 1 5 ? -4.491 0.063 3.437 1.00 98.19 5 A 1 ATOM 39 O O . GLN A 1 5 ? -3.293 -0.217 3.339 1.00 97.78 5 A 1 ATOM 40 C CB . GLN A 1 5 ? -6.032 -1.409 4.752 1.00 97.42 5 A 1 ATOM 41 C CG . GLN A 1 5 ? -6.510 -1.794 6.134 1.00 93.19 5 A 1 ATOM 42 C CD . GLN A 1 5 ? -6.275 -3.264 6.404 1.00 91.13 5 A 1 ATOM 43 O OE1 . GLN A 1 5 ? -6.951 -4.134 5.872 1.00 87.35 5 A 1 ATOM 44 N NE2 . GLN A 1 5 ? -5.288 -3.562 7.222 1.00 84.93 5 A 1 ATOM 45 N N . PHE A 1 6 ? -5.208 0.543 2.452 1.00 97.22 6 A 1 ATOM 46 C CA . PHE A 1 6 ? -4.632 0.807 1.137 1.00 97.37 6 A 1 ATOM 47 C C . PHE A 1 6 ? -3.561 1.893 1.218 1.00 97.87 6 A 1 ATOM 48 O O . PHE A 1 6 ? -2.490 1.758 0.621 1.00 97.52 6 A 1 ATOM 49 C CB . PHE A 1 6 ? -5.744 1.209 0.167 1.00 97.15 6 A 1 ATOM 50 C CG . PHE A 1 6 ? -5.240 1.481 -1.225 1.00 96.10 6 A 1 ATOM 51 C CD1 . PHE A 1 6 ? -4.869 0.430 -2.050 1.00 93.91 6 A 1 ATOM 52 C CD2 . PHE A 1 6 ? -5.145 2.777 -1.693 1.00 94.01 6 A 1 ATOM 53 C CE1 . PHE A 1 6 ? -4.402 0.671 -3.332 1.00 93.28 6 A 1 ATOM 54 C CE2 . PHE A 1 6 ? -4.672 3.024 -2.978 1.00 92.73 6 A 1 ATOM 55 C CZ . PHE A 1 6 ? -4.302 1.972 -3.793 1.00 93.43 6 A 1 ATOM 56 N N . LEU A 1 7 ? -3.852 2.953 1.974 1.00 97.69 7 A 1 ATOM 57 C CA . LEU A 1 7 ? -2.908 4.055 2.149 1.00 97.86 7 A 1 ATOM 58 C C . LEU A 1 7 ? -1.655 3.608 2.894 1.00 98.09 7 A 1 ATOM 59 O O . LEU A 1 7 ? -0.550 4.047 2.563 1.00 97.87 7 A 1 ATOM 60 C CB . LEU A 1 7 ? -3.583 5.204 2.899 1.00 97.80 7 A 1 ATOM 61 C CG . LEU A 1 7 ? -4.530 6.045 2.054 1.00 94.87 7 A 1 ATOM 62 C CD1 . LEU A 1 7 ? -5.460 6.843 2.945 1.00 92.02 7 A 1 ATOM 63 C CD2 . LEU A 1 7 ? -3.749 6.983 1.143 1.00 91.99 7 A 1 ATOM 64 N N . LEU A 1 8 ? -1.829 2.738 3.877 1.00 98.15 8 A 1 ATOM 65 C CA . LEU A 1 8 ? -0.706 2.208 4.647 1.00 98.03 8 A 1 ATOM 66 C C . LEU A 1 8 ? 0.244 1.419 3.756 1.00 98.18 8 A 1 ATOM 67 O O . LEU A 1 8 ? 1.459 1.630 3.794 1.00 97.79 8 A 1 ATOM 68 C CB . LEU A 1 8 ? -1.222 1.322 5.781 1.00 97.81 8 A 1 ATOM 69 C CG . LEU A 1 8 ? -1.515 2.072 7.076 1.00 93.98 8 A 1 ATOM 70 C CD1 . LEU A 1 8 ? -2.512 1.304 7.923 1.00 92.00 8 A 1 ATOM 71 C CD2 . LEU A 1 8 ? -0.234 2.302 7.857 1.00 92.63 8 A 1 ATOM 72 N N . CYS A 1 9 ? -0.317 0.525 2.963 1.00 97.52 9 A 1 ATOM 73 C CA . CYS A 1 9 ? 0.479 -0.292 2.052 1.00 97.68 9 A 1 ATOM 74 C C . CYS A 1 9 ? 1.123 0.572 0.972 1.00 97.82 9 A 1 ATOM 75 O O . CYS A 1 9 ? 2.293 0.388 0.637 1.00 97.10 9 A 1 ATOM 76 C CB . CYS A 1 9 ? -0.395 -1.380 1.423 1.00 97.16 9 A 1 ATOM 77 S SG . CYS A 1 9 ? 0.589 -2.707 0.703 1.00 90.47 9 A 1 ATOM 78 N N . LEU A 1 10 ? 0.358 1.516 0.452 1.00 97.89 10 A 1 ATOM 79 C CA . LEU A 1 10 ? 0.842 2.431 -0.578 1.00 97.79 10 A 1 ATOM 80 C C . LEU A 1 10 ? 1.977 3.300 -0.048 1.00 98.04 10 A 1 ATOM 81 O O . LEU A 1 10 ? 2.983 3.499 -0.735 1.00 97.75 10 A 1 ATOM 82 C CB . LEU A 1 10 ? -0.314 3.305 -1.072 1.00 97.43 10 A 1 ATOM 83 C CG . LEU A 1 10 ? -0.008 4.127 -2.317 1.00 93.34 10 A 1 ATOM 84 C CD1 . LEU A 1 10 ? -0.099 3.266 -3.568 1.00 91.32 10 A 1 ATOM 85 C CD2 . LEU A 1 10 ? -0.962 5.297 -2.418 1.00 91.18 10 A 1 ATOM 86 N N . SER A 1 11 ? 1.824 3.810 1.163 1.00 97.91 11 A 1 ATOM 87 C CA . SER A 1 11 ? 2.831 4.648 1.802 1.00 97.92 11 A 1 ATOM 88 C C . SER A 1 11 ? 4.129 3.880 2.014 1.00 98.07 11 A 1 ATOM 89 O O . SER A 1 11 ? 5.213 4.400 1.744 1.00 97.37 11 A 1 ATOM 90 C CB . SER A 1 11 ? 2.313 5.181 3.135 1.00 97.32 11 A 1 ATOM 91 O OG . SER A 1 11 ? 3.224 6.101 3.687 1.00 88.00 11 A 1 ATOM 92 N N . LEU A 1 12 ? 4.015 2.641 2.462 1.00 98.32 12 A 1 ATOM 93 C CA . LEU A 1 12 ? 5.181 1.795 2.680 1.00 98.21 12 A 1 ATOM 94 C C . LEU A 1 12 ? 5.861 1.448 1.364 1.00 98.33 12 A 1 ATOM 95 O O . LEU A 1 12 ? 7.091 1.488 1.272 1.00 97.81 12 A 1 ATOM 96 C CB . LEU A 1 12 ? 4.769 0.520 3.416 1.00 97.83 12 A 1 ATOM 97 C CG . LEU A 1 12 ? 4.631 0.677 4.927 1.00 95.34 12 A 1 ATOM 98 C CD1 . LEU A 1 12 ? 3.766 -0.426 5.505 1.00 92.40 12 A 1 ATOM 99 C CD2 . LEU A 1 12 ? 6.004 0.665 5.590 1.00 92.56 12 A 1 ATOM 100 N N . CYS A 1 13 ? 5.070 1.119 0.359 1.00 98.10 13 A 1 ATOM 101 C CA . CYS A 1 13 ? 5.595 0.784 -0.957 1.00 98.05 13 A 1 ATOM 102 C C . CYS A 1 13 ? 6.338 1.965 -1.574 1.00 98.17 13 A 1 ATOM 103 O O . CYS A 1 13 ? 7.438 1.800 -2.095 1.00 97.35 13 A 1 ATOM 104 C CB . CYS A 1 13 ? 4.460 0.334 -1.874 1.00 97.37 13 A 1 ATOM 105 S SG . CYS A 1 13 ? 3.958 -1.378 -1.566 1.00 94.28 13 A 1 ATOM 106 N N . THR A 1 14 ? 5.737 3.150 -1.494 1.00 98.15 14 A 1 ATOM 107 C CA . THR A 1 14 ? 6.347 4.355 -2.050 1.00 98.03 14 A 1 ATOM 108 C C . THR A 1 14 ? 7.592 4.752 -1.264 1.00 98.06 14 A 1 ATOM 109 O O . THR A 1 14 ? 8.608 5.117 -1.863 1.00 97.14 14 A 1 ATOM 110 C CB . THR A 1 14 ? 5.350 5.523 -2.073 1.00 97.33 14 A 1 ATOM 111 O OG1 . THR A 1 14 ? 4.570 5.544 -0.893 1.00 92.15 14 A 1 ATOM 112 C CG2 . THR A 1 14 ? 4.436 5.435 -3.279 1.00 92.06 14 A 1 ATOM 113 N N . ALA A 1 15 ? 7.527 4.668 0.056 1.00 98.39 15 A 1 ATOM 114 C CA . ALA A 1 15 ? 8.666 4.993 0.907 1.00 98.31 15 A 1 ATOM 115 C C . ALA A 1 15 ? 9.830 4.037 0.660 1.00 98.39 15 A 1 ATOM 116 O O . ALA A 1 15 ? 10.985 4.459 0.614 1.00 97.72 15 A 1 ATOM 117 C CB . ALA A 1 15 ? 8.250 4.955 2.371 1.00 97.83 15 A 1 ATOM 118 N N . PHE A 1 16 ? 9.522 2.763 0.481 1.00 97.93 16 A 1 ATOM 119 C CA . PHE A 1 16 ? 10.526 1.744 0.211 1.00 97.56 16 A 1 ATOM 120 C C . PHE A 1 16 ? 11.147 1.944 -1.165 1.00 97.74 16 A 1 ATOM 121 O O . PHE A 1 16 ? 12.354 1.761 -1.335 1.00 97.00 16 A 1 ATOM 122 C CB . PHE A 1 16 ? 9.897 0.356 0.311 1.00 97.13 16 A 1 ATOM 123 C CG . PHE A 1 16 ? 10.913 -0.742 0.458 1.00 94.52 16 A 1 ATOM 124 C CD1 . PHE A 1 16 ? 11.426 -1.068 1.704 1.00 91.39 16 A 1 ATOM 125 C CD2 . PHE A 1 16 ? 11.352 -1.445 -0.653 1.00 91.97 16 A 1 ATOM 126 C CE1 . PHE A 1 16 ? 12.363 -2.077 1.844 1.00 90.83 16 A 1 ATOM 127 C CE2 . PHE A 1 16 ? 12.296 -2.455 -0.519 1.00 90.49 16 A 1 ATOM 128 C CZ . PHE A 1 16 ? 12.800 -2.769 0.730 1.00 90.12 16 A 1 ATOM 129 N N . ALA A 1 17 ? 10.335 2.319 -2.129 1.00 97.81 17 A 1 ATOM 130 C CA . ALA A 1 17 ? 10.807 2.559 -3.490 1.00 97.56 17 A 1 ATOM 131 C C . ALA A 1 17 ? 11.687 3.808 -3.574 1.00 97.60 17 A 1 ATOM 132 O O . ALA A 1 17 ? 12.642 3.844 -4.353 1.00 96.43 17 A 1 ATOM 133 C CB . ALA A 1 17 ? 9.620 2.683 -4.437 1.00 96.77 17 A 1 ATOM 134 N N . LEU A 1 18 ? 11.360 4.821 -2.772 1.00 97.73 18 A 1 ATOM 135 C CA . LEU A 1 18 ? 12.105 6.076 -2.756 1.00 96.97 18 A 1 ATOM 136 C C . LEU A 1 18 ? 13.408 5.964 -1.973 1.00 96.43 18 A 1 ATOM 137 O O . LEU A 1 18 ? 14.413 6.574 -2.349 1.00 93.73 18 A 1 ATOM 138 C CB . LEU A 1 18 ? 11.234 7.191 -2.171 1.00 96.04 18 A 1 ATOM 139 C CG . LEU A 1 18 ? 10.128 7.695 -3.092 1.00 93.77 18 A 1 ATOM 140 C CD1 . LEU A 1 18 ? 9.054 8.405 -2.301 1.00 89.79 18 A 1 ATOM 141 C CD2 . LEU A 1 18 ? 10.705 8.622 -4.153 1.00 88.30 18 A 1 ATOM 142 N N . SER A 1 19 ? 13.381 5.201 -0.903 1.00 94.97 19 A 1 ATOM 143 C CA . SER A 1 19 ? 14.547 5.038 -0.040 1.00 92.48 19 A 1 ATOM 144 C C . SER A 1 19 ? 14.895 3.570 0.128 1.00 88.60 19 A 1 ATOM 145 O O . SER A 1 19 ? 16.045 3.194 -0.175 1.00 81.31 19 A 1 ATOM 146 C CB . SER A 1 19 ? 14.298 5.691 1.319 1.00 88.11 19 A 1 ATOM 147 O OG . SER A 1 19 ? 15.470 5.719 2.084 1.00 78.82 19 A 1 ATOM 148 O OXT . SER A 1 19 ? 14.001 2.843 0.572 1.00 79.60 19 A 1 #