# 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_spkb27339 # _entry.id spkb27339 # 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" "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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" # _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 ARG 2 1 n HIS 3 1 n LEU 4 1 n LYS 5 1 n LEU 6 1 n THR 7 1 n GLY 8 1 n PHE 9 1 n ILE 10 1 n PHE 11 1 n PHE 12 1 n LEU 13 1 n LEU 14 1 n SER 15 1 n LEU 16 1 n THR 17 1 n GLU 18 1 n SER 19 1 n LEU 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 @ 2025-07-13 12:13:51)" _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 90.37 _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 82.35 1 1 A ARG 2 2 77.45 1 2 A HIS 3 2 83.65 1 3 A LEU 4 2 89.69 1 4 A LYS 5 2 87.90 1 5 A LEU 6 2 91.97 1 6 A THR 7 2 93.12 1 7 A GLY 8 2 96.70 1 8 A PHE 9 2 92.94 1 9 A ILE 10 2 94.13 1 10 A PHE 11 2 92.27 1 11 A PHE 12 2 93.50 1 12 A LEU 13 2 94.51 1 13 A LEU 14 2 94.45 1 14 A SER 15 2 95.12 1 15 A LEU 16 2 94.54 1 16 A THR 17 2 94.03 1 17 A GLU 18 2 88.49 1 18 A SER 19 2 93.34 1 19 A LEU 20 2 91.21 1 20 A ALA 21 2 85.12 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 ARG . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 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 ? -13.189 -8.795 6.079 1.00 86.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.143 -7.369 6.475 1.00 90.73 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.157 -6.458 5.252 1.00 91.64 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.368 -6.642 4.333 1.00 86.07 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.882 -7.080 7.279 1.00 84.83 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.071 -7.302 8.770 1.00 80.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.667 -6.688 9.705 1.00 74.90 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.270 -6.906 11.372 1.00 64.08 1 A 1 ATOM 9 N N . ARG A 1 2 ? -14.058 -5.490 5.265 1.00 89.83 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -14.142 -4.530 4.158 1.00 91.98 2 A 1 ATOM 11 C C . ARG A 1 2 ? -12.942 -3.588 4.166 1.00 92.78 2 A 1 ATOM 12 O O . ARG A 1 2 ? -12.563 -3.053 3.127 1.00 89.20 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -15.431 -3.714 4.282 1.00 88.56 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -16.680 -4.571 4.227 1.00 76.96 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -17.913 -3.700 4.403 1.00 76.61 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -18.968 -4.416 5.106 1.00 67.98 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -19.818 -5.256 4.533 1.00 63.01 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -19.758 -5.508 3.241 1.00 58.88 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -20.725 -5.861 5.266 1.00 56.12 2 A 1 ATOM 20 N N . HIS A 1 3 ? -12.362 -3.396 5.329 1.00 92.33 3 A 1 ATOM 21 C CA . HIS A 1 3 ? -11.202 -2.518 5.465 1.00 94.55 3 A 1 ATOM 22 C C . HIS A 1 3 ? -9.937 -3.160 4.896 1.00 95.23 3 A 1 ATOM 23 O O . HIS A 1 3 ? -8.930 -2.480 4.691 1.00 92.25 3 A 1 ATOM 24 C CB . HIS A 1 3 ? -10.986 -2.163 6.939 1.00 91.55 3 A 1 ATOM 25 C CG . HIS A 1 3 ? -11.985 -1.165 7.447 1.00 84.73 3 A 1 ATOM 26 N ND1 . HIS A 1 3 ? -13.155 -1.518 8.049 1.00 72.47 3 A 1 ATOM 27 C CD2 . HIS A 1 3 ? -11.955 0.187 7.424 1.00 70.07 3 A 1 ATOM 28 C CE1 . HIS A 1 3 ? -13.813 -0.415 8.379 1.00 70.82 3 A 1 ATOM 29 N NE2 . HIS A 1 3 ? -13.107 0.641 8.016 1.00 72.47 3 A 1 ATOM 30 N N . LEU A 1 4 ? -9.990 -4.454 4.645 1.00 93.12 4 A 1 ATOM 31 C CA . LEU A 1 4 ? -8.837 -5.155 4.080 1.00 94.68 4 A 1 ATOM 32 C C . LEU A 1 4 ? -8.448 -4.558 2.734 1.00 95.99 4 A 1 ATOM 33 O O . LEU A 1 4 ? -7.267 -4.477 2.402 1.00 94.42 4 A 1 ATOM 34 C CB . LEU A 1 4 ? -9.152 -6.645 3.916 1.00 93.02 4 A 1 ATOM 35 C CG . LEU A 1 4 ? -8.899 -7.471 5.176 1.00 85.52 4 A 1 ATOM 36 C CD1 . LEU A 1 4 ? -9.450 -8.877 4.998 1.00 81.38 4 A 1 ATOM 37 C CD2 . LEU A 1 4 ? -7.405 -7.534 5.474 1.00 79.42 4 A 1 ATOM 38 N N . LYS A 1 5 ? -9.444 -4.142 1.971 1.00 94.63 5 A 1 ATOM 39 C CA . LYS A 1 5 ? -9.186 -3.529 0.667 1.00 96.20 5 A 1 ATOM 40 C C . LYS A 1 5 ? -8.424 -2.221 0.847 1.00 96.41 5 A 1 ATOM 41 O O . LYS A 1 5 ? -7.504 -1.924 0.086 1.00 95.88 5 A 1 ATOM 42 C CB . LYS A 1 5 ? -10.498 -3.283 -0.066 1.00 95.37 5 A 1 ATOM 43 C CG . LYS A 1 5 ? -11.127 -4.564 -0.573 1.00 87.12 5 A 1 ATOM 44 C CD . LYS A 1 5 ? -12.034 -4.301 -1.760 1.00 83.26 5 A 1 ATOM 45 C CE . LYS A 1 5 ? -13.347 -3.676 -1.334 1.00 74.81 5 A 1 ATOM 46 N NZ . LYS A 1 5 ? -14.319 -3.672 -2.453 1.00 67.41 5 A 1 ATOM 47 N N . LEU A 1 6 ? -8.820 -1.460 1.858 1.00 94.94 6 A 1 ATOM 48 C CA . LEU A 1 6 ? -8.164 -0.190 2.156 1.00 95.89 6 A 1 ATOM 49 C C . LEU A 1 6 ? -6.744 -0.441 2.641 1.00 96.52 6 A 1 ATOM 50 O O . LEU A 1 6 ? -5.801 0.215 2.205 1.00 96.32 6 A 1 ATOM 51 C CB . LEU A 1 6 ? -8.961 0.573 3.221 1.00 95.55 6 A 1 ATOM 52 C CG . LEU A 1 6 ? -8.849 2.098 3.143 1.00 87.21 6 A 1 ATOM 53 C CD1 . LEU A 1 6 ? -7.434 2.559 3.434 1.00 84.41 6 A 1 ATOM 54 C CD2 . LEU A 1 6 ? -9.290 2.580 1.768 1.00 84.92 6 A 1 ATOM 55 N N . THR A 1 7 ? -6.600 -1.396 3.550 1.00 95.69 7 A 1 ATOM 56 C CA . THR A 1 7 ? -5.288 -1.740 4.095 1.00 95.93 7 A 1 ATOM 57 C C . THR A 1 7 ? -4.352 -2.196 2.982 1.00 96.34 7 A 1 ATOM 58 O O . THR A 1 7 ? -3.177 -1.829 2.959 1.00 95.25 7 A 1 ATOM 59 C CB . THR A 1 7 ? -5.420 -2.853 5.143 1.00 94.93 7 A 1 ATOM 60 O OG1 . THR A 1 7 ? -6.397 -2.476 6.111 1.00 87.13 7 A 1 ATOM 61 C CG2 . THR A 1 7 ? -4.097 -3.084 5.853 1.00 86.58 7 A 1 ATOM 62 N N . GLY A 1 8 ? -4.876 -2.986 2.067 1.00 96.52 8 A 1 ATOM 63 C CA . GLY A 1 8 ? -4.075 -3.462 0.944 1.00 96.69 8 A 1 ATOM 64 C C . GLY A 1 8 ? -3.614 -2.311 0.069 1.00 97.18 8 A 1 ATOM 65 O O . GLY A 1 8 ? -2.483 -2.298 -0.412 1.00 96.40 8 A 1 ATOM 66 N N . PHE A 1 9 ? -4.499 -1.341 -0.128 1.00 94.98 9 A 1 ATOM 67 C CA . PHE A 1 9 ? -4.172 -0.170 -0.936 1.00 95.85 9 A 1 ATOM 68 C C . PHE A 1 9 ? -3.064 0.641 -0.278 1.00 96.54 9 A 1 ATOM 69 O O . PHE A 1 9 ? -2.147 1.115 -0.950 1.00 96.33 9 A 1 ATOM 70 C CB . PHE A 1 9 ? -5.416 0.696 -1.112 1.00 95.64 9 A 1 ATOM 71 C CG . PHE A 1 9 ? -5.201 1.818 -2.099 1.00 94.13 9 A 1 ATOM 72 C CD1 . PHE A 1 9 ? -4.980 1.539 -3.439 1.00 90.38 9 A 1 ATOM 73 C CD2 . PHE A 1 9 ? -5.212 3.135 -1.672 1.00 90.80 9 A 1 ATOM 74 C CE1 . PHE A 1 9 ? -4.778 2.564 -4.349 1.00 89.03 9 A 1 ATOM 75 C CE2 . PHE A 1 9 ? -5.006 4.168 -2.581 1.00 88.93 9 A 1 ATOM 76 C CZ . PHE A 1 9 ? -4.789 3.882 -3.917 1.00 89.74 9 A 1 ATOM 77 N N . ILE A 1 10 ? -3.161 0.796 1.042 1.00 95.81 10 A 1 ATOM 78 C CA . ILE A 1 10 ? -2.147 1.537 1.794 1.00 95.99 10 A 1 ATOM 79 C C . ILE A 1 10 ? -0.798 0.846 1.666 1.00 96.31 10 A 1 ATOM 80 O O . ILE A 1 10 ? 0.237 1.488 1.493 1.00 96.05 10 A 1 ATOM 81 C CB . ILE A 1 10 ? -2.550 1.650 3.275 1.00 96.03 10 A 1 ATOM 82 C CG1 . ILE A 1 10 ? -3.874 2.413 3.409 1.00 93.78 10 A 1 ATOM 83 C CG2 . ILE A 1 10 ? -1.455 2.362 4.076 1.00 92.58 10 A 1 ATOM 84 C CD1 . ILE A 1 10 ? -3.807 3.832 2.877 1.00 86.49 10 A 1 ATOM 85 N N . PHE A 1 11 ? -0.825 -0.465 1.769 1.00 96.55 11 A 1 ATOM 86 C CA . PHE A 1 11 ? 0.398 -1.253 1.654 1.00 96.51 11 A 1 ATOM 87 C C . PHE A 1 11 ? 1.006 -1.073 0.265 1.00 96.85 11 A 1 ATOM 88 O O . PHE A 1 11 ? 2.222 -0.937 0.116 1.00 96.58 11 A 1 ATOM 89 C CB . PHE A 1 11 ? 0.083 -2.725 1.903 1.00 96.17 11 A 1 ATOM 90 C CG . PHE A 1 11 ? 1.243 -3.467 2.519 1.00 92.45 11 A 1 ATOM 91 C CD1 . PHE A 1 11 ? 2.382 -3.744 1.781 1.00 88.69 11 A 1 ATOM 92 C CD2 . PHE A 1 11 ? 1.183 -3.883 3.847 1.00 89.18 11 A 1 ATOM 93 C CE1 . PHE A 1 11 ? 3.456 -4.419 2.349 1.00 87.41 11 A 1 ATOM 94 C CE2 . PHE A 1 11 ? 2.252 -4.564 4.419 1.00 86.96 11 A 1 ATOM 95 C CZ . PHE A 1 11 ? 3.389 -4.830 3.668 1.00 87.62 11 A 1 ATOM 96 N N . PHE A 1 12 ? 0.153 -1.070 -0.735 1.00 95.77 12 A 1 ATOM 97 C CA . PHE A 1 12 ? 0.603 -0.887 -2.112 1.00 95.97 12 A 1 ATOM 98 C C . PHE A 1 12 ? 1.229 0.490 -2.286 1.00 96.45 12 A 1 ATOM 99 O O . PHE A 1 12 ? 2.280 0.631 -2.911 1.00 96.03 12 A 1 ATOM 100 C CB . PHE A 1 12 ? -0.579 -1.042 -3.060 1.00 96.00 12 A 1 ATOM 101 C CG . PHE A 1 12 ? -0.159 -1.528 -4.426 1.00 94.69 12 A 1 ATOM 102 C CD1 . PHE A 1 12 ? 0.464 -0.675 -5.324 1.00 91.11 12 A 1 ATOM 103 C CD2 . PHE A 1 12 ? -0.392 -2.849 -4.794 1.00 91.61 12 A 1 ATOM 104 C CE1 . PHE A 1 12 ? 0.858 -1.128 -6.577 1.00 89.97 12 A 1 ATOM 105 C CE2 . PHE A 1 12 ? -0.002 -3.305 -6.049 1.00 90.12 12 A 1 ATOM 106 C CZ . PHE A 1 12 ? 0.625 -2.444 -6.937 1.00 90.79 12 A 1 ATOM 107 N N . LEU A 1 13 ? 0.572 1.498 -1.720 1.00 96.65 13 A 1 ATOM 108 C CA . LEU A 1 13 ? 1.078 2.865 -1.805 1.00 96.62 13 A 1 ATOM 109 C C . LEU A 1 13 ? 2.428 2.984 -1.117 1.00 96.68 13 A 1 ATOM 110 O O . LEU A 1 13 ? 3.333 3.641 -1.629 1.00 96.37 13 A 1 ATOM 111 C CB . LEU A 1 13 ? 0.083 3.824 -1.154 1.00 96.48 13 A 1 ATOM 112 C CG . LEU A 1 13 ? -1.109 4.169 -2.039 1.00 93.35 13 A 1 ATOM 113 C CD1 . LEU A 1 13 ? -2.153 4.907 -1.225 1.00 89.55 13 A 1 ATOM 114 C CD2 . LEU A 1 13 ? -0.656 5.033 -3.214 1.00 90.38 13 A 1 ATOM 115 N N . LEU A 1 14 ? 2.553 2.355 0.049 1.00 97.17 14 A 1 ATOM 116 C CA . LEU A 1 14 ? 3.803 2.388 0.802 1.00 96.93 14 A 1 ATOM 117 C C . LEU A 1 14 ? 4.936 1.763 0.002 1.00 97.08 14 A 1 ATOM 118 O O . LEU A 1 14 ? 6.027 2.324 -0.090 1.00 96.67 14 A 1 ATOM 119 C CB . LEU A 1 14 ? 3.625 1.648 2.126 1.00 96.69 14 A 1 ATOM 120 C CG . LEU A 1 14 ? 3.413 2.573 3.320 1.00 92.08 14 A 1 ATOM 121 C CD1 . LEU A 1 14 ? 2.836 1.795 4.493 1.00 88.87 14 A 1 ATOM 122 C CD2 . LEU A 1 14 ? 4.726 3.224 3.718 1.00 90.12 14 A 1 ATOM 123 N N . SER A 1 15 ? 4.669 0.610 -0.568 1.00 97.01 15 A 1 ATOM 124 C CA . SER A 1 15 ? 5.679 -0.086 -1.364 1.00 97.01 15 A 1 ATOM 125 C C . SER A 1 15 ? 6.049 0.723 -2.603 1.00 97.07 15 A 1 ATOM 126 O O . SER A 1 15 ? 7.219 0.811 -2.970 1.00 95.91 15 A 1 ATOM 127 C CB . SER A 1 15 ? 5.163 -1.462 -1.781 1.00 96.55 15 A 1 ATOM 128 O OG . SER A 1 15 ? 5.072 -2.315 -0.665 1.00 87.19 15 A 1 ATOM 129 N N . LEU A 1 16 ? 5.048 1.312 -3.233 1.00 97.24 16 A 1 ATOM 130 C CA . LEU A 1 16 ? 5.277 2.125 -4.427 1.00 97.03 16 A 1 ATOM 131 C C . LEU A 1 16 ? 6.077 3.374 -4.084 1.00 97.08 16 A 1 ATOM 132 O O . LEU A 1 16 ? 7.018 3.733 -4.791 1.00 96.52 16 A 1 ATOM 133 C CB . LEU A 1 16 ? 3.936 2.516 -5.046 1.00 96.71 16 A 1 ATOM 134 C CG . LEU A 1 16 ? 4.061 3.069 -6.465 1.00 93.42 16 A 1 ATOM 135 C CD1 . LEU A 1 16 ? 4.317 1.940 -7.455 1.00 88.61 16 A 1 ATOM 136 C CD2 . LEU A 1 16 ? 2.792 3.815 -6.846 1.00 89.73 16 A 1 ATOM 137 N N . THR A 1 17 ? 5.700 4.029 -2.998 1.00 97.06 17 A 1 ATOM 138 C CA . THR A 1 17 ? 6.386 5.247 -2.560 1.00 96.79 17 A 1 ATOM 139 C C . THR A 1 17 ? 7.825 4.943 -2.175 1.00 96.60 17 A 1 ATOM 140 O O . THR A 1 17 ? 8.718 5.764 -2.384 1.00 95.49 17 A 1 ATOM 141 C CB . THR A 1 17 ? 5.658 5.866 -1.366 1.00 95.71 17 A 1 ATOM 142 O OG1 . THR A 1 17 ? 4.298 6.093 -1.720 1.00 88.66 17 A 1 ATOM 143 C CG2 . THR A 1 17 ? 6.283 7.197 -0.980 1.00 87.90 17 A 1 ATOM 144 N N . GLU A 1 18 ? 8.043 3.769 -1.616 1.00 96.48 18 A 1 ATOM 145 C CA . GLU A 1 18 ? 9.388 3.356 -1.209 1.00 96.10 18 A 1 ATOM 146 C C . GLU A 1 18 ? 10.344 3.387 -2.394 1.00 96.11 18 A 1 ATOM 147 O O . GLU A 1 18 ? 11.519 3.731 -2.256 1.00 94.30 18 A 1 ATOM 148 C CB . GLU A 1 18 ? 9.346 1.941 -0.626 1.00 94.52 18 A 1 ATOM 149 C CG . GLU A 1 18 ? 9.928 1.881 0.777 1.00 86.63 18 A 1 ATOM 150 C CD . GLU A 1 18 ? 11.438 1.926 0.759 1.00 81.11 18 A 1 ATOM 151 O OE1 . GLU A 1 18 ? 12.050 1.071 0.101 1.00 74.99 18 A 1 ATOM 152 O OE2 . GLU A 1 18 ? 12.012 2.822 1.413 1.00 76.17 18 A 1 ATOM 153 N N . SER A 1 19 ? 9.836 3.041 -3.550 1.00 95.87 19 A 1 ATOM 154 C CA . SER A 1 19 ? 10.649 3.040 -4.766 1.00 96.12 19 A 1 ATOM 155 C C . SER A 1 19 ? 10.888 4.460 -5.273 1.00 96.13 19 A 1 ATOM 156 O O . SER A 1 19 ? 11.915 4.743 -5.888 1.00 94.18 19 A 1 ATOM 157 C CB . SER A 1 19 ? 9.969 2.213 -5.852 1.00 94.95 19 A 1 ATOM 158 O OG . SER A 1 19 ? 10.898 1.868 -6.858 1.00 82.82 19 A 1 ATOM 159 N N . LEU A 1 20 ? 9.920 5.342 -5.018 1.00 95.71 20 A 1 ATOM 160 C CA . LEU A 1 20 ? 10.020 6.736 -5.448 1.00 95.44 20 A 1 ATOM 161 C C . LEU A 1 20 ? 10.841 7.565 -4.471 1.00 95.45 20 A 1 ATOM 162 O O . LEU A 1 20 ? 11.616 8.430 -4.879 1.00 94.54 20 A 1 ATOM 163 C CB . LEU A 1 20 ? 8.621 7.336 -5.590 1.00 94.38 20 A 1 ATOM 164 C CG . LEU A 1 20 ? 8.029 7.283 -6.999 1.00 89.66 20 A 1 ATOM 165 C CD1 . LEU A 1 20 ? 8.887 8.108 -7.949 1.00 82.56 20 A 1 ATOM 166 C CD2 . LEU A 1 20 ? 7.947 5.849 -7.490 1.00 81.97 20 A 1 ATOM 167 N N . ALA A 1 21 ? 10.651 7.298 -3.186 1.00 91.64 21 A 1 ATOM 168 C CA . ALA A 1 21 ? 11.349 8.040 -2.132 1.00 90.83 21 A 1 ATOM 169 C C . ALA A 1 21 ? 12.590 7.278 -1.670 1.00 86.31 21 A 1 ATOM 170 O O . ALA A 1 21 ? 12.696 6.937 -0.480 1.00 81.86 21 A 1 ATOM 171 C CB . ALA A 1 21 ? 10.405 8.310 -0.973 1.00 85.73 21 A 1 ATOM 172 O OXT . ALA A 1 21 ? 13.480 7.020 -2.508 1.00 74.33 21 A 1 #