# 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_spkb39762 # _entry.id spkb39762 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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 ASN 2 1 n ASN 3 1 n PHE 4 1 n ARG 5 1 n ILE 6 1 n THR 7 1 n ILE 8 1 n VAL 9 1 n ALA 10 1 n PHE 11 1 n LEU 12 1 n ALA 13 1 n VAL 14 1 n LEU 15 1 n VAL 16 1 n PHE 17 1 n THR 18 1 n THR 19 1 n THR 20 1 n VAL 21 1 n THR 22 1 n ASN 23 1 n SER 24 # _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 @ 2025-07-06 03:12:02)" _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 92.44 _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 81.64 1 1 A ASN 2 2 86.52 1 2 A ASN 3 2 90.88 1 3 A PHE 4 2 92.57 1 4 A ARG 5 2 87.28 1 5 A ILE 6 2 94.33 1 6 A THR 7 2 95.36 1 7 A ILE 8 2 94.55 1 8 A VAL 9 2 96.17 1 9 A ALA 10 2 97.27 1 10 A PHE 11 2 93.37 1 11 A LEU 12 2 93.94 1 12 A ALA 13 2 97.43 1 13 A VAL 14 2 96.87 1 14 A LEU 15 2 93.69 1 15 A VAL 16 2 96.31 1 16 A PHE 17 2 93.35 1 17 A THR 18 2 95.19 1 18 A THR 19 2 95.57 1 19 A THR 20 2 94.80 1 20 A VAL 21 2 95.17 1 21 A THR 22 2 93.24 1 22 A ASN 23 2 88.28 1 23 A SER 24 2 81.74 1 24 # _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 ASN . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n ASN . 23 A 23 A 24 1 n SER . 24 A 24 # _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 ? -18.229 4.046 -1.429 1.00 89.02 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.201 4.226 -0.386 1.00 90.56 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.240 3.042 -0.346 1.00 90.68 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.048 3.213 -0.120 1.00 87.05 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.862 4.383 0.986 1.00 84.32 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.625 5.695 1.107 1.00 77.88 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.405 5.862 2.716 1.00 70.63 1 A 1 ATOM 8 C CE . MET A 1 1 ? -20.107 7.494 2.553 1.00 62.95 1 A 1 ATOM 9 N N . ASN A 1 2 ? -16.769 1.854 -0.560 1.00 91.71 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -15.944 0.650 -0.509 1.00 92.98 2 A 1 ATOM 11 C C . ASN A 1 2 ? -14.797 0.721 -1.508 1.00 93.83 2 A 1 ATOM 12 O O . ASN A 1 2 ? -13.649 0.421 -1.178 1.00 92.29 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -16.808 -0.584 -0.774 1.00 88.59 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -17.811 -0.816 0.342 1.00 80.92 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -17.605 -0.391 1.470 1.00 75.86 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -18.901 -1.496 0.029 1.00 76.00 2 A 1 ATOM 17 N N . ASN A 1 3 ? -15.102 1.130 -2.730 1.00 94.42 3 A 1 ATOM 18 C CA . ASN A 1 3 ? -14.079 1.227 -3.767 1.00 95.75 3 A 1 ATOM 19 C C . ASN A 1 3 ? -13.008 2.245 -3.387 1.00 96.32 3 A 1 ATOM 20 O O . ASN A 1 3 ? -11.816 2.028 -3.615 1.00 94.95 3 A 1 ATOM 21 C CB . ASN A 1 3 ? -14.719 1.614 -5.100 1.00 93.49 3 A 1 ATOM 22 C CG . ASN A 1 3 ? -15.629 0.524 -5.625 1.00 88.20 3 A 1 ATOM 23 O OD1 . ASN A 1 3 ? -15.513 -0.632 -5.249 1.00 82.57 3 A 1 ATOM 24 N ND2 . ASN A 1 3 ? -16.546 0.887 -6.506 1.00 81.38 3 A 1 ATOM 25 N N . PHE A 1 4 ? -13.435 3.354 -2.797 1.00 95.48 4 A 1 ATOM 26 C CA . PHE A 1 4 ? -12.507 4.400 -2.378 1.00 96.02 4 A 1 ATOM 27 C C . PHE A 1 4 ? -11.548 3.879 -1.309 1.00 96.73 4 A 1 ATOM 28 O O . PHE A 1 4 ? -10.340 4.118 -1.374 1.00 96.13 4 A 1 ATOM 29 C CB . PHE A 1 4 ? -13.292 5.604 -1.850 1.00 95.37 4 A 1 ATOM 30 C CG . PHE A 1 4 ? -12.400 6.749 -1.441 1.00 93.82 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? -11.676 7.449 -2.392 1.00 89.98 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? -12.299 7.112 -0.109 1.00 90.19 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? -10.854 8.505 -2.023 1.00 87.99 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? -11.476 8.171 0.269 1.00 88.73 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? -10.756 8.865 -0.689 1.00 87.86 4 A 1 ATOM 36 N N . ARG A 1 5 ? -12.081 3.157 -0.331 1.00 96.64 5 A 1 ATOM 37 C CA . ARG A 1 5 ? -11.252 2.602 0.740 1.00 96.99 5 A 1 ATOM 38 C C . ARG A 1 5 ? -10.258 1.586 0.190 1.00 97.09 5 A 1 ATOM 39 O O . ARG A 1 5 ? -9.093 1.567 0.589 1.00 96.43 5 A 1 ATOM 40 C CB . ARG A 1 5 ? -12.126 1.948 1.815 1.00 96.55 5 A 1 ATOM 41 C CG . ARG A 1 5 ? -12.890 2.975 2.640 1.00 90.79 5 A 1 ATOM 42 C CD . ARG A 1 5 ? -13.319 2.376 3.972 1.00 87.50 5 A 1 ATOM 43 N NE . ARG A 1 5 ? -12.151 2.067 4.802 1.00 80.70 5 A 1 ATOM 44 C CZ . ARG A 1 5 ? -12.197 1.401 5.948 1.00 76.68 5 A 1 ATOM 45 N NH1 . ARG A 1 5 ? -13.345 0.959 6.424 1.00 71.74 5 A 1 ATOM 46 N NH2 . ARG A 1 5 ? -11.087 1.161 6.624 1.00 68.93 5 A 1 ATOM 47 N N . ILE A 1 6 ? -10.704 0.753 -0.720 1.00 96.92 6 A 1 ATOM 48 C CA . ILE A 1 6 ? -9.837 -0.252 -1.328 1.00 96.87 6 A 1 ATOM 49 C C . ILE A 1 6 ? -8.671 0.424 -2.042 1.00 97.24 6 A 1 ATOM 50 O O . ILE A 1 6 ? -7.526 -0.037 -1.960 1.00 97.02 6 A 1 ATOM 51 C CB . ILE A 1 6 ? -10.631 -1.131 -2.310 1.00 96.31 6 A 1 ATOM 52 C CG1 . ILE A 1 6 ? -11.679 -1.953 -1.550 1.00 93.04 6 A 1 ATOM 53 C CG2 . ILE A 1 6 ? -9.687 -2.057 -3.076 1.00 91.66 6 A 1 ATOM 54 C CD1 . ILE A 1 6 ? -12.692 -2.622 -2.467 1.00 85.56 6 A 1 ATOM 55 N N . THR A 1 7 ? -8.954 1.511 -2.726 1.00 96.92 7 A 1 ATOM 56 C CA . THR A 1 7 ? -7.921 2.245 -3.452 1.00 97.24 7 A 1 ATOM 57 C C . THR A 1 7 ? -6.862 2.790 -2.494 1.00 97.72 7 A 1 ATOM 58 O O . THR A 1 7 ? -5.662 2.702 -2.768 1.00 97.34 7 A 1 ATOM 59 C CB . THR A 1 7 ? -8.540 3.402 -4.241 1.00 96.65 7 A 1 ATOM 60 O OG1 . THR A 1 7 ? -9.514 2.890 -5.149 1.00 91.73 7 A 1 ATOM 61 C CG2 . THR A 1 7 ? -7.478 4.154 -5.026 1.00 89.95 7 A 1 ATOM 62 N N . ILE A 1 8 ? -7.296 3.346 -1.375 1.00 96.86 8 A 1 ATOM 63 C CA . ILE A 1 8 ? -6.374 3.898 -0.384 1.00 96.92 8 A 1 ATOM 64 C C . ILE A 1 8 ? -5.487 2.797 0.191 1.00 97.25 8 A 1 ATOM 65 O O . ILE A 1 8 ? -4.267 2.953 0.298 1.00 97.10 8 A 1 ATOM 66 C CB . ILE A 1 8 ? -7.144 4.599 0.751 1.00 96.68 8 A 1 ATOM 67 C CG1 . ILE A 1 8 ? -7.890 5.826 0.207 1.00 93.63 8 A 1 ATOM 68 C CG2 . ILE A 1 8 ? -6.178 5.023 1.861 1.00 92.11 8 A 1 ATOM 69 C CD1 . ILE A 1 8 ? -8.865 6.418 1.205 1.00 85.84 8 A 1 ATOM 70 N N . VAL A 1 9 ? -6.095 1.689 0.563 1.00 97.17 9 A 1 ATOM 71 C CA . VAL A 1 9 ? -5.348 0.571 1.140 1.00 97.16 9 A 1 ATOM 72 C C . VAL A 1 9 ? -4.342 0.028 0.132 1.00 97.54 9 A 1 ATOM 73 O O . VAL A 1 9 ? -3.195 -0.273 0.482 1.00 97.44 9 A 1 ATOM 74 C CB . VAL A 1 9 ? -6.302 -0.545 1.594 1.00 96.51 9 A 1 ATOM 75 C CG1 . VAL A 1 9 ? -5.518 -1.763 2.083 1.00 93.76 9 A 1 ATOM 76 C CG2 . VAL A 1 9 ? -7.213 -0.038 2.705 1.00 93.61 9 A 1 ATOM 77 N N . ALA A 1 10 ? -4.769 -0.101 -1.112 1.00 97.19 10 A 1 ATOM 78 C CA . ALA A 1 10 ? -3.893 -0.607 -2.163 1.00 97.39 10 A 1 ATOM 79 C C . ALA A 1 10 ? -2.694 0.318 -2.364 1.00 97.79 10 A 1 ATOM 80 O O . ALA A 1 10 ? -1.557 -0.146 -2.488 1.00 97.27 10 A 1 ATOM 81 C CB . ALA A 1 10 ? -4.682 -0.750 -3.461 1.00 96.72 10 A 1 ATOM 82 N N . PHE A 1 11 ? -2.940 1.609 -2.381 1.00 96.88 11 A 1 ATOM 83 C CA . PHE A 1 11 ? -1.870 2.590 -2.550 1.00 97.01 11 A 1 ATOM 84 C C . PHE A 1 11 ? -0.862 2.495 -1.408 1.00 97.43 11 A 1 ATOM 85 O O . PHE A 1 11 ? 0.352 2.492 -1.630 1.00 96.99 11 A 1 ATOM 86 C CB . PHE A 1 11 ? -2.467 3.997 -2.613 1.00 96.46 11 A 1 ATOM 87 C CG . PHE A 1 11 ? -1.412 5.066 -2.719 1.00 93.63 11 A 1 ATOM 88 C CD1 . PHE A 1 11 ? -0.792 5.322 -3.936 1.00 90.57 11 A 1 ATOM 89 C CD2 . PHE A 1 11 ? -1.045 5.802 -1.603 1.00 91.24 11 A 1 ATOM 90 C CE1 . PHE A 1 11 ? 0.187 6.303 -4.038 1.00 88.35 11 A 1 ATOM 91 C CE2 . PHE A 1 11 ? -0.060 6.785 -1.700 1.00 88.94 11 A 1 ATOM 92 C CZ . PHE A 1 11 ? 0.556 7.034 -2.917 1.00 89.53 11 A 1 ATOM 93 N N . LEU A 1 12 ? -1.368 2.407 -0.187 1.00 97.28 12 A 1 ATOM 94 C CA . LEU A 1 12 ? -0.504 2.321 0.989 1.00 97.11 12 A 1 ATOM 95 C C . LEU A 1 12 ? 0.324 1.038 0.950 1.00 97.43 12 A 1 ATOM 96 O O . LEU A 1 12 ? 1.516 1.042 1.271 1.00 97.28 12 A 1 ATOM 97 C CB . LEU A 1 12 ? -1.358 2.388 2.256 1.00 96.59 12 A 1 ATOM 98 C CG . LEU A 1 12 ? -0.552 2.709 3.521 1.00 90.12 12 A 1 ATOM 99 C CD1 . LEU A 1 12 ? -1.428 3.435 4.533 1.00 87.38 12 A 1 ATOM 100 C CD2 . LEU A 1 12 ? 0.006 1.440 4.150 1.00 88.31 12 A 1 ATOM 101 N N . ALA A 1 13 ? -0.295 -0.062 0.554 1.00 97.67 13 A 1 ATOM 102 C CA . ALA A 1 13 ? 0.401 -1.344 0.459 1.00 97.70 13 A 1 ATOM 103 C C . ALA A 1 13 ? 1.540 -1.273 -0.553 1.00 97.82 13 A 1 ATOM 104 O O . ALA A 1 13 ? 2.640 -1.772 -0.296 1.00 96.86 13 A 1 ATOM 105 C CB . ALA A 1 13 ? -0.587 -2.437 0.060 1.00 97.12 13 A 1 ATOM 106 N N . VAL A 1 14 ? 1.291 -0.659 -1.688 1.00 97.93 14 A 1 ATOM 107 C CA . VAL A 1 14 ? 2.314 -0.515 -2.723 1.00 97.85 14 A 1 ATOM 108 C C . VAL A 1 14 ? 3.471 0.336 -2.215 1.00 97.95 14 A 1 ATOM 109 O O . VAL A 1 14 ? 4.639 0.033 -2.480 1.00 97.32 14 A 1 ATOM 110 C CB . VAL A 1 14 ? 1.718 0.109 -3.992 1.00 97.22 14 A 1 ATOM 111 C CG1 . VAL A 1 14 ? 2.812 0.421 -5.010 1.00 94.80 14 A 1 ATOM 112 C CG2 . VAL A 1 14 ? 0.697 -0.835 -4.607 1.00 95.00 14 A 1 ATOM 113 N N . LEU A 1 15 ? 3.152 1.383 -1.482 1.00 97.41 15 A 1 ATOM 114 C CA . LEU A 1 15 ? 4.175 2.267 -0.932 1.00 97.01 15 A 1 ATOM 115 C C . LEU A 1 15 ? 5.098 1.506 0.014 1.00 97.10 15 A 1 ATOM 116 O O . LEU A 1 15 ? 6.322 1.616 -0.076 1.00 96.91 15 A 1 ATOM 117 C CB . LEU A 1 15 ? 3.506 3.427 -0.192 1.00 96.67 15 A 1 ATOM 118 C CG . LEU A 1 15 ? 4.496 4.457 0.353 1.00 89.99 15 A 1 ATOM 119 C CD1 . LEU A 1 15 ? 5.205 5.175 -0.787 1.00 86.66 15 A 1 ATOM 120 C CD2 . LEU A 1 15 ? 3.775 5.466 1.234 1.00 87.76 15 A 1 ATOM 121 N N . VAL A 1 16 ? 4.521 0.739 0.919 1.00 97.66 16 A 1 ATOM 122 C CA . VAL A 1 16 ? 5.302 -0.050 1.874 1.00 97.38 16 A 1 ATOM 123 C C . VAL A 1 16 ? 6.135 -1.096 1.145 1.00 97.34 16 A 1 ATOM 124 O O . VAL A 1 16 ? 7.315 -1.295 1.448 1.00 96.74 16 A 1 ATOM 125 C CB . VAL A 1 16 ? 4.385 -0.727 2.902 1.00 96.77 16 A 1 ATOM 126 C CG1 . VAL A 1 16 ? 5.190 -1.642 3.823 1.00 94.12 16 A 1 ATOM 127 C CG2 . VAL A 1 16 ? 3.653 0.323 3.725 1.00 94.14 16 A 1 ATOM 128 N N . PHE A 1 17 ? 5.527 -1.771 0.184 1.00 97.35 17 A 1 ATOM 129 C CA . PHE A 1 17 ? 6.222 -2.799 -0.583 1.00 96.98 17 A 1 ATOM 130 C C . PHE A 1 17 ? 7.403 -2.203 -1.338 1.00 97.09 17 A 1 ATOM 131 O O . PHE A 1 17 ? 8.497 -2.770 -1.343 1.00 96.31 17 A 1 ATOM 132 C CB . PHE A 1 17 ? 5.250 -3.457 -1.558 1.00 96.47 17 A 1 ATOM 133 C CG . PHE A 1 17 ? 5.890 -4.583 -2.325 1.00 93.72 17 A 1 ATOM 134 C CD1 . PHE A 1 17 ? 6.100 -5.816 -1.724 1.00 90.28 17 A 1 ATOM 135 C CD2 . PHE A 1 17 ? 6.276 -4.402 -3.644 1.00 90.73 17 A 1 ATOM 136 C CE1 . PHE A 1 17 ? 6.691 -6.853 -2.428 1.00 88.98 17 A 1 ATOM 137 C CE2 . PHE A 1 17 ? 6.874 -5.437 -4.354 1.00 89.69 17 A 1 ATOM 138 C CZ . PHE A 1 17 ? 7.081 -6.665 -3.745 1.00 89.27 17 A 1 ATOM 139 N N . THR A 1 18 ? 7.195 -1.059 -1.951 1.00 97.97 18 A 1 ATOM 140 C CA . THR A 1 18 ? 8.259 -0.397 -2.701 1.00 97.72 18 A 1 ATOM 141 C C . THR A 1 18 ? 9.412 -0.010 -1.781 1.00 97.72 18 A 1 ATOM 142 O O . THR A 1 18 ? 10.583 -0.169 -2.138 1.00 96.69 18 A 1 ATOM 143 C CB . THR A 1 18 ? 7.725 0.856 -3.401 1.00 97.02 18 A 1 ATOM 144 O OG1 . THR A 1 18 ? 6.654 0.501 -4.271 1.00 90.73 18 A 1 ATOM 145 C CG2 . THR A 1 18 ? 8.819 1.522 -4.220 1.00 88.45 18 A 1 ATOM 146 N N . THR A 1 19 ? 9.082 0.485 -0.598 1.00 97.94 19 A 1 ATOM 147 C CA . THR A 1 19 ? 10.098 0.892 0.368 1.00 97.62 19 A 1 ATOM 148 C C . THR A 1 19 ? 10.939 -0.299 0.810 1.00 97.59 19 A 1 ATOM 149 O O . THR A 1 19 ? 12.167 -0.212 0.861 1.00 96.60 19 A 1 ATOM 150 C CB . THR A 1 19 ? 9.448 1.537 1.592 1.00 97.05 19 A 1 ATOM 151 O OG1 . THR A 1 19 ? 8.684 2.671 1.185 1.00 91.92 19 A 1 ATOM 152 C CG2 . THR A 1 19 ? 10.511 1.997 2.578 1.00 90.28 19 A 1 ATOM 153 N N . THR A 1 20 ? 10.290 -1.411 1.127 1.00 97.74 20 A 1 ATOM 154 C CA . THR A 1 20 ? 11.018 -2.595 1.584 1.00 97.33 20 A 1 ATOM 155 C C . THR A 1 20 ? 11.880 -3.173 0.469 1.00 97.29 20 A 1 ATOM 156 O O . THR A 1 20 ? 13.007 -3.606 0.713 1.00 96.15 20 A 1 ATOM 157 C CB . THR A 1 20 ? 10.057 -3.664 2.122 1.00 96.55 20 A 1 ATOM 158 O OG1 . THR A 1 20 ? 10.817 -4.718 2.706 1.00 90.74 20 A 1 ATOM 159 C CG2 . THR A 1 20 ? 9.190 -4.251 1.033 1.00 87.82 20 A 1 ATOM 160 N N . VAL A 1 21 ? 11.375 -3.170 -0.755 1.00 97.61 21 A 1 ATOM 161 C CA . VAL A 1 21 ? 12.134 -3.681 -1.896 1.00 97.28 21 A 1 ATOM 162 C C . VAL A 1 21 ? 13.349 -2.800 -2.165 1.00 97.03 21 A 1 ATOM 163 O O . VAL A 1 21 ? 14.441 -3.302 -2.436 1.00 96.08 21 A 1 ATOM 164 C CB . VAL A 1 21 ? 11.254 -3.769 -3.153 1.00 96.32 21 A 1 ATOM 165 C CG1 . VAL A 1 21 ? 12.094 -4.119 -4.379 1.00 90.62 21 A 1 ATOM 166 C CG2 . VAL A 1 21 ? 10.172 -4.816 -2.963 1.00 91.24 21 A 1 ATOM 167 N N . THR A 1 22 ? 13.165 -1.498 -2.067 1.00 97.00 22 A 1 ATOM 168 C CA . THR A 1 22 ? 14.264 -0.558 -2.294 1.00 96.53 22 A 1 ATOM 169 C C . THR A 1 22 ? 15.354 -0.736 -1.243 1.00 96.04 22 A 1 ATOM 170 O O . THR A 1 22 ? 16.543 -0.649 -1.550 1.00 94.31 22 A 1 ATOM 171 C CB . THR A 1 22 ? 13.753 0.880 -2.256 1.00 94.92 22 A 1 ATOM 172 O OG1 . THR A 1 22 ? 12.742 1.053 -3.249 1.00 88.67 22 A 1 ATOM 173 C CG2 . THR A 1 22 ? 14.882 1.853 -2.536 1.00 85.22 22 A 1 ATOM 174 N N . ASN A 1 23 ? 14.942 -0.979 -0.008 1.00 94.81 23 A 1 ATOM 175 C CA . ASN A 1 23 ? 15.891 -1.183 1.078 1.00 93.66 23 A 1 ATOM 176 C C . ASN A 1 23 ? 16.596 -2.527 0.949 1.00 92.54 23 A 1 ATOM 177 O O . ASN A 1 23 ? 17.762 -2.672 1.327 1.00 90.92 23 A 1 ATOM 178 C CB . ASN A 1 23 ? 15.158 -1.107 2.415 1.00 91.61 23 A 1 ATOM 179 C CG . ASN A 1 23 ? 16.133 -1.089 3.571 1.00 85.61 23 A 1 ATOM 180 O OD1 . ASN A 1 23 ? 17.335 -1.020 3.388 1.00 79.18 23 A 1 ATOM 181 N ND2 . ASN A 1 23 ? 15.611 -1.133 4.790 1.00 77.95 23 A 1 ATOM 182 N N . SER A 1 24 ? 15.878 -3.507 0.422 1.00 90.89 24 A 1 ATOM 183 C CA . SER A 1 24 ? 16.418 -4.858 0.261 1.00 88.36 24 A 1 ATOM 184 C C . SER A 1 24 ? 17.412 -4.919 -0.900 1.00 83.62 24 A 1 ATOM 185 O O . SER A 1 24 ? 18.220 -5.850 -0.953 1.00 77.27 24 A 1 ATOM 186 C CB . SER A 1 24 ? 15.281 -5.855 0.039 1.00 83.03 24 A 1 ATOM 187 O OG . SER A 1 24 ? 15.800 -7.161 -0.098 1.00 74.45 24 A 1 ATOM 188 O OXT . SER A 1 24 ? 17.371 -4.061 -1.776 1.00 74.58 24 A 1 #