# 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_346 # _entry.id 346 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 ASP 2 1 n TRP 3 1 n THR 4 1 n TRP 5 1 n ARG 6 1 n PHE 7 1 n LEU 8 1 n PHE 9 1 n VAL 10 1 n VAL 11 1 n ALA 12 1 n ALA 13 1 n ALA 14 1 n THR 15 1 n GLY 16 1 n VAL 17 1 n GLN 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 @ 2025-05-30 08:26:25)" _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 88.54 _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 76.87 1 1 A ASP 2 2 84.72 1 2 A TRP 3 2 88.56 1 3 A THR 4 2 92.98 1 4 A TRP 5 2 89.72 1 5 A ARG 6 2 87.76 1 6 A PHE 7 2 92.06 1 7 A LEU 8 2 92.57 1 8 A PHE 9 2 90.33 1 9 A VAL 10 2 95.21 1 10 A VAL 11 2 95.09 1 11 A ALA 12 2 95.21 1 12 A ALA 13 2 95.56 1 13 A ALA 14 2 96.20 1 14 A THR 15 2 93.04 1 15 A GLY 16 2 92.22 1 16 A VAL 17 2 86.42 1 17 A GLN 18 2 75.34 1 18 A SER 19 2 71.64 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 TRP . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n GLN . 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 ? 3.446 11.764 9.390 1.00 83.74 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.310 11.632 8.200 1.00 86.20 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.556 10.155 7.858 1.00 88.09 1 A 1 ATOM 4 O O . MET A 1 1 ? 5.693 9.727 7.659 1.00 82.88 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.646 12.315 8.472 1.00 78.85 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.490 13.806 8.728 1.00 72.08 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.990 14.502 9.448 1.00 65.29 1 A 1 ATOM 8 C CE . MET A 1 1 ? 6.484 16.202 9.616 1.00 57.80 1 A 1 ATOM 9 N N . ASP A 1 2 ? 3.499 9.372 7.788 1.00 86.86 2 A 1 ATOM 10 C CA . ASP A 1 2 ? 3.622 7.947 7.478 1.00 91.43 2 A 1 ATOM 11 C C . ASP A 1 2 ? 2.797 7.588 6.246 1.00 94.36 2 A 1 ATOM 12 O O . ASP A 1 2 ? 1.865 6.789 6.318 1.00 92.40 2 A 1 ATOM 13 C CB . ASP A 1 2 ? 3.162 7.124 8.674 1.00 85.92 2 A 1 ATOM 14 C CG . ASP A 1 2 ? 4.237 6.164 9.132 1.00 78.14 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? 5.235 6.639 9.680 1.00 75.99 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? 4.067 4.950 8.938 1.00 72.63 2 A 1 ATOM 17 N N . TRP A 1 3 ? 3.147 8.195 5.124 1.00 93.52 3 A 1 ATOM 18 C CA . TRP A 1 3 ? 2.429 7.970 3.873 1.00 94.36 3 A 1 ATOM 19 C C . TRP A 1 3 ? 2.694 6.564 3.321 1.00 95.78 3 A 1 ATOM 20 O O . TRP A 1 3 ? 1.797 5.919 2.794 1.00 94.51 3 A 1 ATOM 21 C CB . TRP A 1 3 ? 2.844 9.037 2.865 1.00 92.49 3 A 1 ATOM 22 C CG . TRP A 1 3 ? 2.944 8.525 1.470 1.00 89.61 3 A 1 ATOM 23 C CD1 . TRP A 1 3 ? 4.083 8.297 0.769 1.00 86.51 3 A 1 ATOM 24 C CD2 . TRP A 1 3 ? 1.857 8.151 0.603 1.00 88.38 3 A 1 ATOM 25 N NE1 . TRP A 1 3 ? 3.782 7.817 -0.486 1.00 84.98 3 A 1 ATOM 26 C CE2 . TRP A 1 3 ? 2.418 7.716 -0.614 1.00 87.91 3 A 1 ATOM 27 C CE3 . TRP A 1 3 ? 0.465 8.152 0.748 1.00 83.88 3 A 1 ATOM 28 C CZ2 . TRP A 1 3 ? 1.629 7.286 -1.681 1.00 84.91 3 A 1 ATOM 29 C CZ3 . TRP A 1 3 ? -0.319 7.726 -0.316 1.00 81.83 3 A 1 ATOM 30 C CH2 . TRP A 1 3 ? 0.261 7.300 -1.514 1.00 81.20 3 A 1 ATOM 31 N N . THR A 1 4 ? 3.920 6.097 3.442 1.00 95.03 4 A 1 ATOM 32 C CA . THR A 1 4 ? 4.306 4.778 2.936 1.00 95.51 4 A 1 ATOM 33 C C . THR A 1 4 ? 3.429 3.679 3.533 1.00 96.09 4 A 1 ATOM 34 O O . THR A 1 4 ? 2.975 2.780 2.829 1.00 95.07 4 A 1 ATOM 35 C CB . THR A 1 4 ? 5.773 4.490 3.273 1.00 94.24 4 A 1 ATOM 36 O OG1 . THR A 1 4 ? 6.563 5.635 2.983 1.00 88.32 4 A 1 ATOM 37 C CG2 . THR A 1 4 ? 6.289 3.311 2.463 1.00 86.62 4 A 1 ATOM 38 N N . TRP A 1 5 ? 3.191 3.752 4.815 1.00 93.52 5 A 1 ATOM 39 C CA . TRP A 1 5 ? 2.370 2.752 5.499 1.00 93.87 5 A 1 ATOM 40 C C . TRP A 1 5 ? 0.965 2.730 4.917 1.00 94.95 5 A 1 ATOM 41 O O . TRP A 1 5 ? 0.410 1.672 4.626 1.00 94.15 5 A 1 ATOM 42 C CB . TRP A 1 5 ? 2.322 3.070 6.995 1.00 92.78 5 A 1 ATOM 43 C CG . TRP A 1 5 ? 3.186 2.135 7.777 1.00 91.10 5 A 1 ATOM 44 C CD1 . TRP A 1 5 ? 4.222 2.469 8.588 1.00 87.96 5 A 1 ATOM 45 C CD2 . TRP A 1 5 ? 3.091 0.699 7.826 1.00 89.77 5 A 1 ATOM 46 N NE1 . TRP A 1 5 ? 4.772 1.336 9.137 1.00 86.94 5 A 1 ATOM 47 C CE2 . TRP A 1 5 ? 4.100 0.227 8.689 1.00 88.93 5 A 1 ATOM 48 C CE3 . TRP A 1 5 ? 2.240 -0.240 7.217 1.00 85.99 5 A 1 ATOM 49 C CZ2 . TRP A 1 5 ? 4.275 -1.138 8.953 1.00 87.23 5 A 1 ATOM 50 C CZ3 . TRP A 1 5 ? 2.416 -1.595 7.482 1.00 84.64 5 A 1 ATOM 51 C CH2 . TRP A 1 5 ? 3.419 -2.032 8.340 1.00 84.27 5 A 1 ATOM 52 N N . ARG A 1 6 ? 0.409 3.897 4.727 1.00 94.56 6 A 1 ATOM 53 C CA . ARG A 1 6 ? -0.934 4.017 4.166 1.00 95.29 6 A 1 ATOM 54 C C . ARG A 1 6 ? -0.967 3.485 2.737 1.00 95.60 6 A 1 ATOM 55 O O . ARG A 1 6 ? -1.930 2.841 2.327 1.00 94.53 6 A 1 ATOM 56 C CB . ARG A 1 6 ? -1.358 5.478 4.197 1.00 94.46 6 A 1 ATOM 57 C CG . ARG A 1 6 ? -1.845 5.878 5.576 1.00 89.33 6 A 1 ATOM 58 C CD . ARG A 1 6 ? -1.440 7.301 5.906 1.00 88.07 6 A 1 ATOM 59 N NE . ARG A 1 6 ? -1.993 8.253 4.951 1.00 83.54 6 A 1 ATOM 60 C CZ . ARG A 1 6 ? -2.017 9.559 5.143 1.00 80.36 6 A 1 ATOM 61 N NH1 . ARG A 1 6 ? -1.518 10.089 6.243 1.00 75.47 6 A 1 ATOM 62 N NH2 . ARG A 1 6 ? -2.541 10.348 4.218 1.00 74.13 6 A 1 ATOM 63 N N . PHE A 1 7 ? 0.079 3.751 2.003 1.00 94.44 7 A 1 ATOM 64 C CA . PHE A 1 7 ? 0.169 3.288 0.618 1.00 94.43 7 A 1 ATOM 65 C C . PHE A 1 7 ? 0.118 1.761 0.561 1.00 95.27 7 A 1 ATOM 66 O O . PHE A 1 7 ? -0.598 1.180 -0.250 1.00 94.49 7 A 1 ATOM 67 C CB . PHE A 1 7 ? 1.477 3.785 0.003 1.00 93.90 7 A 1 ATOM 68 C CG . PHE A 1 7 ? 1.613 3.393 -1.441 1.00 92.43 7 A 1 ATOM 69 C CD1 . PHE A 1 7 ? 0.630 3.733 -2.356 1.00 90.12 7 A 1 ATOM 70 C CD2 . PHE A 1 7 ? 2.723 2.685 -1.876 1.00 90.13 7 A 1 ATOM 71 C CE1 . PHE A 1 7 ? 0.752 3.371 -3.688 1.00 89.25 7 A 1 ATOM 72 C CE2 . PHE A 1 7 ? 2.849 2.323 -3.208 1.00 88.99 7 A 1 ATOM 73 C CZ . PHE A 1 7 ? 1.862 2.665 -4.114 1.00 89.18 7 A 1 ATOM 74 N N . LEU A 1 8 ? 0.873 1.122 1.420 1.00 94.18 8 A 1 ATOM 75 C CA . LEU A 1 8 ? 0.903 -0.344 1.471 1.00 94.17 8 A 1 ATOM 76 C C . LEU A 1 8 ? -0.486 -0.902 1.781 1.00 94.90 8 A 1 ATOM 77 O O . LEU A 1 8 ? -0.912 -1.898 1.201 1.00 94.57 8 A 1 ATOM 78 C CB . LEU A 1 8 ? 1.891 -0.795 2.544 1.00 93.82 8 A 1 ATOM 79 C CG . LEU A 1 8 ? 2.154 -2.296 2.518 1.00 91.07 8 A 1 ATOM 80 C CD1 . LEU A 1 8 ? 2.975 -2.673 1.292 1.00 89.21 8 A 1 ATOM 81 C CD2 . LEU A 1 8 ? 2.892 -2.721 3.780 1.00 88.64 8 A 1 ATOM 82 N N . PHE A 1 9 ? -1.173 -0.258 2.676 1.00 93.96 9 A 1 ATOM 83 C CA . PHE A 1 9 ? -2.513 -0.678 3.080 1.00 93.94 9 A 1 ATOM 84 C C . PHE A 1 9 ? -3.484 -0.574 1.907 1.00 95.04 9 A 1 ATOM 85 O O . PHE A 1 9 ? -4.260 -1.493 1.644 1.00 94.48 9 A 1 ATOM 86 C CB . PHE A 1 9 ? -2.978 0.207 4.231 1.00 93.02 9 A 1 ATOM 87 C CG . PHE A 1 9 ? -3.967 -0.485 5.136 1.00 90.14 9 A 1 ATOM 88 C CD1 . PHE A 1 9 ? -4.394 -1.771 4.877 1.00 87.61 9 A 1 ATOM 89 C CD2 . PHE A 1 9 ? -4.454 0.167 6.259 1.00 87.23 9 A 1 ATOM 90 C CE1 . PHE A 1 9 ? -5.299 -2.403 5.716 1.00 86.45 9 A 1 ATOM 91 C CE2 . PHE A 1 9 ? -5.356 -0.458 7.102 1.00 85.96 9 A 1 ATOM 92 C CZ . PHE A 1 9 ? -5.782 -1.745 6.828 1.00 85.78 9 A 1 ATOM 93 N N . VAL A 1 10 ? -3.434 0.532 1.217 1.00 95.19 10 A 1 ATOM 94 C CA . VAL A 1 10 ? -4.316 0.761 0.069 1.00 95.79 10 A 1 ATOM 95 C C . VAL A 1 10 ? -4.037 -0.251 -1.041 1.00 96.43 10 A 1 ATOM 96 O O . VAL A 1 10 ? -4.963 -0.818 -1.622 1.00 95.99 10 A 1 ATOM 97 C CB . VAL A 1 10 ? -4.132 2.188 -0.470 1.00 95.31 10 A 1 ATOM 98 C CG1 . VAL A 1 10 ? -4.970 2.399 -1.718 1.00 94.05 10 A 1 ATOM 99 C CG2 . VAL A 1 10 ? -4.513 3.204 0.596 1.00 93.68 10 A 1 ATOM 100 N N . VAL A 1 11 ? -2.777 -0.481 -1.331 1.00 95.81 11 A 1 ATOM 101 C CA . VAL A 1 11 ? -2.385 -1.424 -2.381 1.00 95.83 11 A 1 ATOM 102 C C . VAL A 1 11 ? -2.861 -2.832 -2.044 1.00 96.16 11 A 1 ATOM 103 O O . VAL A 1 11 ? -3.390 -3.543 -2.898 1.00 95.65 11 A 1 ATOM 104 C CB . VAL A 1 11 ? -0.860 -1.422 -2.568 1.00 95.02 11 A 1 ATOM 105 C CG1 . VAL A 1 11 ? -0.437 -2.499 -3.556 1.00 93.58 11 A 1 ATOM 106 C CG2 . VAL A 1 11 ? -0.389 -0.062 -3.055 1.00 93.60 11 A 1 ATOM 107 N N . ALA A 1 12 ? -2.662 -3.237 -0.813 1.00 95.83 12 A 1 ATOM 108 C CA . ALA A 1 12 ? -3.070 -4.568 -0.370 1.00 95.34 12 A 1 ATOM 109 C C . ALA A 1 12 ? -4.575 -4.753 -0.516 1.00 95.99 12 A 1 ATOM 110 O O . ALA A 1 12 ? -5.039 -5.812 -0.929 1.00 94.90 12 A 1 ATOM 111 C CB . ALA A 1 12 ? -2.658 -4.772 1.082 1.00 94.01 12 A 1 ATOM 112 N N . ALA A 1 13 ? -5.323 -3.734 -0.185 1.00 96.28 13 A 1 ATOM 113 C CA . ALA A 1 13 ? -6.778 -3.790 -0.283 1.00 95.88 13 A 1 ATOM 114 C C . ALA A 1 13 ? -7.231 -3.828 -1.739 1.00 96.29 13 A 1 ATOM 115 O O . ALA A 1 13 ? -8.179 -4.536 -2.079 1.00 94.77 13 A 1 ATOM 116 C CB . ALA A 1 13 ? -7.385 -2.584 0.425 1.00 94.58 13 A 1 ATOM 117 N N . ALA A 1 14 ? -6.558 -3.071 -2.591 1.00 96.76 14 A 1 ATOM 118 C CA . ALA A 1 14 ? -6.906 -3.005 -4.010 1.00 96.61 14 A 1 ATOM 119 C C . ALA A 1 14 ? -6.612 -4.323 -4.718 1.00 96.91 14 A 1 ATOM 120 O O . ALA A 1 14 ? -7.421 -4.807 -5.505 1.00 95.27 14 A 1 ATOM 121 C CB . ALA A 1 14 ? -6.135 -1.873 -4.675 1.00 95.46 14 A 1 ATOM 122 N N . THR A 1 15 ? -5.465 -4.906 -4.443 1.00 96.72 15 A 1 ATOM 123 C CA . THR A 1 15 ? -5.067 -6.164 -5.073 1.00 96.15 15 A 1 ATOM 124 C C . THR A 1 15 ? -5.628 -7.362 -4.322 1.00 96.19 15 A 1 ATOM 125 O O . THR A 1 15 ? -6.366 -8.176 -4.873 1.00 92.85 15 A 1 ATOM 126 C CB . THR A 1 15 ? -3.538 -6.276 -5.129 1.00 94.12 15 A 1 ATOM 127 O OG1 . THR A 1 15 ? -2.960 -4.979 -5.187 1.00 87.61 15 A 1 ATOM 128 C CG2 . THR A 1 15 ? -3.109 -7.055 -6.355 1.00 87.63 15 A 1 ATOM 129 N N . GLY A 1 16 ? -5.263 -7.478 -3.067 1.00 93.96 16 A 1 ATOM 130 C CA . GLY A 1 16 ? -5.756 -8.583 -2.248 1.00 92.64 16 A 1 ATOM 131 C C . GLY A 1 16 ? -4.759 -9.716 -2.152 1.00 92.81 16 A 1 ATOM 132 O O . GLY A 1 16 ? -5.135 -10.882 -2.214 1.00 89.46 16 A 1 ATOM 133 N N . VAL A 1 17 ? -3.497 -9.397 -2.004 1.00 91.58 17 A 1 ATOM 134 C CA . VAL A 1 17 ? -2.450 -10.418 -1.905 1.00 90.25 17 A 1 ATOM 135 C C . VAL A 1 17 ? -1.876 -10.477 -0.495 1.00 90.01 17 A 1 ATOM 136 O O . VAL A 1 17 ? -2.138 -11.422 0.239 1.00 84.47 17 A 1 ATOM 137 C CB . VAL A 1 17 ? -1.336 -10.138 -2.930 1.00 87.77 17 A 1 ATOM 138 C CG1 . VAL A 1 17 ? -0.697 -8.783 -2.673 1.00 79.49 17 A 1 ATOM 139 C CG2 . VAL A 1 17 ? -0.299 -11.239 -2.895 1.00 81.34 17 A 1 ATOM 140 N N . GLN A 1 18 ? -1.115 -9.470 -0.125 1.00 86.51 18 A 1 ATOM 141 C CA . GLN A 1 18 ? -0.518 -9.379 1.214 1.00 83.12 18 A 1 ATOM 142 C C . GLN A 1 18 ? 0.101 -10.713 1.641 1.00 81.86 18 A 1 ATOM 143 O O . GLN A 1 18 ? -0.313 -11.304 2.630 1.00 74.95 18 A 1 ATOM 144 C CB . GLN A 1 18 ? -1.593 -8.952 2.216 1.00 79.50 18 A 1 ATOM 145 C CG . GLN A 1 18 ? -1.118 -7.808 3.089 1.00 74.82 18 A 1 ATOM 146 C CD . GLN A 1 18 ? -2.198 -7.354 4.050 1.00 71.54 18 A 1 ATOM 147 O OE1 . GLN A 1 18 ? -3.386 -7.519 3.802 1.00 64.88 18 A 1 ATOM 148 N NE2 . GLN A 1 18 ? -1.802 -6.777 5.172 1.00 60.91 18 A 1 ATOM 149 N N . SER A 1 19 ? 1.066 -11.189 0.859 1.00 80.65 19 A 1 ATOM 150 C CA . SER A 1 19 ? 1.737 -12.458 1.189 1.00 77.43 19 A 1 ATOM 151 C C . SER A 1 19 ? 0.741 -13.581 1.429 1.00 75.02 19 A 1 ATOM 152 O O . SER A 1 19 ? 1.073 -14.532 2.144 1.00 67.30 19 A 1 ATOM 153 C CB . SER A 1 19 ? 2.610 -12.260 2.435 1.00 70.74 19 A 1 ATOM 154 O OG . SER A 1 19 ? 3.811 -11.612 2.088 1.00 65.31 19 A 1 ATOM 155 O OXT . SER A 1 19 ? -0.396 -13.490 0.914 1.00 65.04 19 A 1 #