# 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_spkb13265 # _entry.id spkb13265 # 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" "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" "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" "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 VAL 2 1 n GLN 3 1 n ARG 4 1 n TRP 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n SER 9 1 n CYS 10 1 n CYS 11 1 n GLY 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n SER 16 1 n ALA 17 1 n GLY 18 1 n LEU 19 1 n ALA 20 1 n ASN 21 1 n THR 22 # _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 @ 2025-07-10 13:38:10)" _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 86.07 _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 73.75 1 1 A VAL 2 2 81.27 1 2 A GLN 3 2 81.68 1 3 A ARG 4 2 80.77 1 4 A TRP 5 2 82.75 1 5 A LEU 6 2 88.16 1 6 A LEU 7 2 88.64 1 7 A LEU 8 2 88.45 1 8 A SER 9 2 88.55 1 9 A CYS 10 2 89.50 1 10 A CYS 11 2 90.80 1 11 A GLY 12 2 91.80 1 12 A ALA 13 2 94.02 1 13 A LEU 14 2 89.82 1 14 A LEU 15 2 90.14 1 15 A SER 16 2 89.73 1 16 A ALA 17 2 92.80 1 17 A GLY 18 2 91.84 1 18 A LEU 19 2 86.22 1 19 A ALA 20 2 90.35 1 20 A ASN 21 2 83.98 1 21 A THR 22 2 79.33 1 22 # _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 VAL . 2 A 2 A 3 1 n GLN . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n THR . 22 A 22 # _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 ? 6.288 5.894 16.788 1.00 79.82 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.644 4.602 17.074 1.00 82.84 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.402 4.420 16.189 1.00 84.86 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.276 4.406 16.674 1.00 80.95 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.274 4.540 18.555 1.00 74.35 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.500 4.506 19.459 1.00 67.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.286 5.525 20.917 1.00 62.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.919 5.424 21.633 1.00 56.45 1 A 1 ATOM 9 N N . VAL A 1 2 ? 4.612 4.306 14.889 1.00 82.13 2 A 1 ATOM 10 C CA . VAL A 1 2 ? 3.523 4.220 13.907 1.00 85.37 2 A 1 ATOM 11 C C . VAL A 1 2 ? 3.767 3.054 12.940 1.00 87.99 2 A 1 ATOM 12 O O . VAL A 1 2 ? 3.573 3.177 11.730 1.00 85.88 2 A 1 ATOM 13 C CB . VAL A 1 2 ? 3.350 5.542 13.137 1.00 80.89 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? 1.878 5.910 13.045 1.00 71.60 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? 4.123 6.702 13.739 1.00 75.00 2 A 1 ATOM 16 N N . GLN A 1 3 ? 4.194 1.932 13.482 1.00 89.05 3 A 1 ATOM 17 C CA . GLN A 1 3 ? 4.502 0.740 12.674 1.00 89.83 3 A 1 ATOM 18 C C . GLN A 1 3 ? 3.261 0.222 11.944 1.00 90.97 3 A 1 ATOM 19 O O . GLN A 1 3 ? 3.344 -0.226 10.800 1.00 88.90 3 A 1 ATOM 20 C CB . GLN A 1 3 ? 5.085 -0.346 13.587 1.00 87.86 3 A 1 ATOM 21 C CG . GLN A 1 3 ? 6.561 -0.593 13.282 1.00 78.07 3 A 1 ATOM 22 C CD . GLN A 1 3 ? 6.737 -1.682 12.229 1.00 75.35 3 A 1 ATOM 23 O OE1 . GLN A 1 3 ? 6.094 -2.717 12.278 1.00 68.89 3 A 1 ATOM 24 N NE2 . GLN A 1 3 ? 7.610 -1.467 11.269 1.00 66.24 3 A 1 ATOM 25 N N . ARG A 1 4 ? 2.097 0.321 12.583 1.00 91.14 4 A 1 ATOM 26 C CA . ARG A 1 4 ? 0.826 -0.090 11.968 1.00 91.90 4 A 1 ATOM 27 C C . ARG A 1 4 ? 0.480 0.780 10.764 1.00 93.51 4 A 1 ATOM 28 O O . ARG A 1 4 ? -0.053 0.277 9.777 1.00 92.79 4 A 1 ATOM 29 C CB . ARG A 1 4 ? -0.300 -0.017 12.999 1.00 90.05 4 A 1 ATOM 30 C CG . ARG A 1 4 ? -0.351 -1.269 13.864 1.00 81.90 4 A 1 ATOM 31 C CD . ARG A 1 4 ? -1.602 -1.240 14.731 1.00 79.82 4 A 1 ATOM 32 N NE . ARG A 1 4 ? -1.756 -2.480 15.494 1.00 72.49 4 A 1 ATOM 33 C CZ . ARG A 1 4 ? -2.793 -2.755 16.270 1.00 69.27 4 A 1 ATOM 34 N NH1 . ARG A 1 4 ? -3.785 -1.901 16.415 1.00 62.86 4 A 1 ATOM 35 N NH2 . ARG A 1 4 ? -2.846 -3.893 16.911 1.00 62.74 4 A 1 ATOM 36 N N . TRP A 1 5 ? 0.791 2.074 10.821 1.00 88.79 5 A 1 ATOM 37 C CA . TRP A 1 5 ? 0.540 3.001 9.722 1.00 89.24 5 A 1 ATOM 38 C C . TRP A 1 5 ? 1.371 2.635 8.502 1.00 91.21 5 A 1 ATOM 39 O O . TRP A 1 5 ? 0.879 2.699 7.377 1.00 89.55 5 A 1 ATOM 40 C CB . TRP A 1 5 ? 0.843 4.435 10.165 1.00 88.54 5 A 1 ATOM 41 C CG . TRP A 1 5 ? -0.404 5.212 10.431 1.00 84.56 5 A 1 ATOM 42 C CD1 . TRP A 1 5 ? -0.721 5.859 11.578 1.00 79.37 5 A 1 ATOM 43 C CD2 . TRP A 1 5 ? -1.510 5.446 9.519 1.00 83.45 5 A 1 ATOM 44 N NE1 . TRP A 1 5 ? -1.949 6.473 11.439 1.00 77.27 5 A 1 ATOM 45 C CE2 . TRP A 1 5 ? -2.463 6.237 10.193 1.00 82.23 5 A 1 ATOM 46 C CE3 . TRP A 1 5 ? -1.778 5.068 8.198 1.00 76.90 5 A 1 ATOM 47 C CZ2 . TRP A 1 5 ? -3.661 6.640 9.572 1.00 80.03 5 A 1 ATOM 48 C CZ3 . TRP A 1 5 ? -2.973 5.472 7.580 1.00 73.04 5 A 1 ATOM 49 C CH2 . TRP A 1 5 ? -3.897 6.249 8.272 1.00 74.26 5 A 1 ATOM 50 N N . LEU A 1 6 ? 2.606 2.221 8.724 1.00 91.55 6 A 1 ATOM 51 C CA . LEU A 1 6 ? 3.492 1.804 7.640 1.00 91.26 6 A 1 ATOM 52 C C . LEU A 1 6 ? 2.921 0.595 6.902 1.00 92.48 6 A 1 ATOM 53 O O . LEU A 1 6 ? 2.930 0.554 5.672 1.00 91.77 6 A 1 ATOM 54 C CB . LEU A 1 6 ? 4.878 1.498 8.220 1.00 91.63 6 A 1 ATOM 55 C CG . LEU A 1 6 ? 5.962 2.441 7.701 1.00 85.22 6 A 1 ATOM 56 C CD1 . LEU A 1 6 ? 6.885 2.886 8.833 1.00 81.15 6 A 1 ATOM 57 C CD2 . LEU A 1 6 ? 6.778 1.761 6.615 1.00 80.18 6 A 1 ATOM 58 N N . LEU A 1 7 ? 2.393 -0.371 7.649 1.00 92.97 7 A 1 ATOM 59 C CA . LEU A 1 7 ? 1.800 -1.574 7.069 1.00 92.04 7 A 1 ATOM 60 C C . LEU A 1 7 ? 0.528 -1.244 6.289 1.00 92.86 7 A 1 ATOM 61 O O . LEU A 1 7 ? 0.339 -1.725 5.170 1.00 91.89 7 A 1 ATOM 62 C CB . LEU A 1 7 ? 1.509 -2.584 8.186 1.00 91.78 7 A 1 ATOM 63 C CG . LEU A 1 7 ? 1.705 -4.033 7.746 1.00 85.14 7 A 1 ATOM 64 C CD1 . LEU A 1 7 ? 2.776 -4.712 8.601 1.00 81.94 7 A 1 ATOM 65 C CD2 . LEU A 1 7 ? 0.408 -4.812 7.851 1.00 80.49 7 A 1 ATOM 66 N N . LEU A 1 8 ? -0.333 -0.402 6.858 1.00 92.94 8 A 1 ATOM 67 C CA . LEU A 1 8 ? -1.576 0.025 6.213 1.00 92.06 8 A 1 ATOM 68 C C . LEU A 1 8 ? -1.299 0.841 4.955 1.00 92.94 8 A 1 ATOM 69 O O . LEU A 1 8 ? -1.932 0.621 3.919 1.00 91.45 8 A 1 ATOM 70 C CB . LEU A 1 8 ? -2.413 0.832 7.212 1.00 91.47 8 A 1 ATOM 71 C CG . LEU A 1 8 ? -3.428 -0.026 7.967 1.00 85.10 8 A 1 ATOM 72 C CD1 . LEU A 1 8 ? -3.657 0.507 9.375 1.00 81.70 8 A 1 ATOM 73 C CD2 . LEU A 1 8 ? -4.750 -0.053 7.212 1.00 79.91 8 A 1 ATOM 74 N N . SER A 1 9 ? -0.344 1.753 5.017 1.00 91.09 9 A 1 ATOM 75 C CA . SER A 1 9 ? 0.045 2.578 3.875 1.00 90.91 9 A 1 ATOM 76 C C . SER A 1 9 ? 0.622 1.720 2.753 1.00 91.87 9 A 1 ATOM 77 O O . SER A 1 9 ? 0.302 1.923 1.584 1.00 89.83 9 A 1 ATOM 78 C CB . SER A 1 9 ? 1.060 3.632 4.305 1.00 89.17 9 A 1 ATOM 79 O OG . SER A 1 9 ? 0.407 4.742 4.879 1.00 78.42 9 A 1 ATOM 80 N N . CYS A 1 10 ? 1.440 0.741 3.104 1.00 91.75 10 A 1 ATOM 81 C CA . CYS A 1 10 ? 2.027 -0.171 2.126 1.00 91.85 10 A 1 ATOM 82 C C . CYS A 1 10 ? 0.946 -1.011 1.443 1.00 93.05 10 A 1 ATOM 83 O O . CYS A 1 10 ? 0.964 -1.184 0.226 1.00 90.48 10 A 1 ATOM 84 C CB . CYS A 1 10 ? 3.058 -1.066 2.825 1.00 89.10 10 A 1 ATOM 85 S SG . CYS A 1 10 ? 4.608 -1.123 1.903 1.00 80.75 10 A 1 ATOM 86 N N . CYS A 1 11 ? -0.018 -1.513 2.214 1.00 91.83 11 A 1 ATOM 87 C CA . CYS A 1 11 ? -1.123 -2.309 1.682 1.00 92.56 11 A 1 ATOM 88 C C . CYS A 1 11 ? -1.996 -1.483 0.734 1.00 93.65 11 A 1 ATOM 89 O O . CYS A 1 11 ? -2.359 -1.946 -0.346 1.00 90.99 11 A 1 ATOM 90 C CB . CYS A 1 11 ? -1.949 -2.868 2.845 1.00 90.30 11 A 1 ATOM 91 S SG . CYS A 1 11 ? -2.284 -4.625 2.626 1.00 85.48 11 A 1 ATOM 92 N N . GLY A 1 12 ? -2.320 -0.259 1.127 1.00 91.00 12 A 1 ATOM 93 C CA . GLY A 1 12 ? -3.113 0.642 0.294 1.00 91.06 12 A 1 ATOM 94 C C . GLY A 1 12 ? -2.395 1.019 -0.993 1.00 93.06 12 A 1 ATOM 95 O O . GLY A 1 12 ? -3.003 1.046 -2.065 1.00 92.07 12 A 1 ATOM 96 N N . ALA A 1 13 ? -1.102 1.285 -0.908 1.00 94.06 13 A 1 ATOM 97 C CA . ALA A 1 13 ? -0.287 1.618 -2.074 1.00 94.34 13 A 1 ATOM 98 C C . ALA A 1 13 ? -0.199 0.434 -3.041 1.00 95.37 13 A 1 ATOM 99 O O . ALA A 1 13 ? -0.302 0.617 -4.253 1.00 93.08 13 A 1 ATOM 100 C CB . ALA A 1 13 ? 1.100 2.054 -1.611 1.00 93.26 13 A 1 ATOM 101 N N . LEU A 1 14 ? -0.054 -0.779 -2.514 1.00 93.41 14 A 1 ATOM 102 C CA . LEU A 1 14 ? -0.006 -1.993 -3.328 1.00 92.69 14 A 1 ATOM 103 C C . LEU A 1 14 ? -1.327 -2.234 -4.053 1.00 93.58 14 A 1 ATOM 104 O O . LEU A 1 14 ? -1.325 -2.588 -5.234 1.00 92.18 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 0.331 -3.191 -2.434 1.00 92.22 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 1.828 -3.349 -2.179 1.00 87.80 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 2.065 -4.211 -0.952 1.00 83.93 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 2.505 -3.990 -3.389 1.00 82.72 14 A 1 ATOM 109 N N . LEU A 1 15 ? -2.447 -2.017 -3.372 1.00 93.72 15 A 1 ATOM 110 C CA . LEU A 1 15 ? -3.772 -2.150 -3.976 1.00 92.83 15 A 1 ATOM 111 C C . LEU A 1 15 ? -3.970 -1.138 -5.097 1.00 93.96 15 A 1 ATOM 112 O O . LEU A 1 15 ? -4.448 -1.495 -6.178 1.00 93.43 15 A 1 ATOM 113 C CB . LEU A 1 15 ? -4.844 -1.977 -2.894 1.00 92.20 15 A 1 ATOM 114 C CG . LEU A 1 15 ? -5.298 -3.307 -2.291 1.00 88.09 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? -5.838 -3.104 -0.886 1.00 83.65 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? -6.372 -3.937 -3.167 1.00 83.27 15 A 1 ATOM 117 N N . SER A 1 16 ? -3.583 0.106 -4.867 1.00 93.29 16 A 1 ATOM 118 C CA . SER A 1 16 ? -3.704 1.170 -5.861 1.00 92.55 16 A 1 ATOM 119 C C . SER A 1 16 ? -2.803 0.902 -7.066 1.00 92.80 16 A 1 ATOM 120 O O . SER A 1 16 ? -3.232 1.041 -8.214 1.00 90.52 16 A 1 ATOM 121 C CB . SER A 1 16 ? -3.366 2.514 -5.224 1.00 90.50 16 A 1 ATOM 122 O OG . SER A 1 16 ? -3.920 3.560 -5.970 1.00 78.75 16 A 1 ATOM 123 N N . ALA A 1 17 ? -1.574 0.483 -6.819 1.00 93.61 17 A 1 ATOM 124 C CA . ALA A 1 17 ? -0.624 0.169 -7.883 1.00 93.14 17 A 1 ATOM 125 C C . ALA A 1 17 ? -1.060 -1.065 -8.671 1.00 94.11 17 A 1 ATOM 126 O O . ALA A 1 17 ? -0.967 -1.083 -9.897 1.00 91.36 17 A 1 ATOM 127 C CB . ALA A 1 17 ? 0.761 -0.035 -7.277 1.00 91.78 17 A 1 ATOM 128 N N . GLY A 1 18 ? -1.567 -2.082 -7.978 1.00 92.29 18 A 1 ATOM 129 C CA . GLY A 1 18 ? -2.062 -3.298 -8.617 1.00 91.38 18 A 1 ATOM 130 C C . GLY A 1 18 ? -3.270 -3.027 -9.493 1.00 92.58 18 A 1 ATOM 131 O O . GLY A 1 18 ? -3.358 -3.541 -10.607 1.00 91.11 18 A 1 ATOM 132 N N . LEU A 1 19 ? -4.189 -2.190 -9.030 1.00 91.63 19 A 1 ATOM 133 C CA . LEU A 1 19 ? -5.376 -1.811 -9.797 1.00 90.82 19 A 1 ATOM 134 C C . LEU A 1 19 ? -4.995 -1.024 -11.046 1.00 91.98 19 A 1 ATOM 135 O O . LEU A 1 19 ? -5.580 -1.226 -12.114 1.00 90.48 19 A 1 ATOM 136 C CB . LEU A 1 19 ? -6.319 -0.984 -8.916 1.00 89.42 19 A 1 ATOM 137 C CG . LEU A 1 19 ? -7.722 -0.864 -9.501 1.00 82.99 19 A 1 ATOM 138 C CD1 . LEU A 1 19 ? -8.698 -1.751 -8.745 1.00 76.81 19 A 1 ATOM 139 C CD2 . LEU A 1 19 ? -8.197 0.574 -9.472 1.00 75.65 19 A 1 ATOM 140 N N . ALA A 1 20 ? -4.020 -0.136 -10.938 1.00 91.32 20 A 1 ATOM 141 C CA . ALA A 1 20 ? -3.547 0.656 -12.075 1.00 90.82 20 A 1 ATOM 142 C C . ALA A 1 20 ? -2.787 -0.203 -13.088 1.00 91.47 20 A 1 ATOM 143 O O . ALA A 1 20 ? -2.826 0.075 -14.288 1.00 89.07 20 A 1 ATOM 144 C CB . ALA A 1 20 ? -2.673 1.796 -11.564 1.00 89.06 20 A 1 ATOM 145 N N . ASN A 1 21 ? -2.103 -1.226 -12.608 1.00 90.18 21 A 1 ATOM 146 C CA . ASN A 1 21 ? -1.323 -2.112 -13.468 1.00 89.31 21 A 1 ATOM 147 C C . ASN A 1 21 ? -2.190 -3.193 -14.111 1.00 89.42 21 A 1 ATOM 148 O O . ASN A 1 21 ? -1.939 -3.597 -15.247 1.00 86.00 21 A 1 ATOM 149 C CB . ASN A 1 21 ? -0.200 -2.743 -12.639 1.00 87.52 21 A 1 ATOM 150 C CG . ASN A 1 21 ? 0.928 -3.246 -13.504 1.00 82.09 21 A 1 ATOM 151 O OD1 . ASN A 1 21 ? 1.043 -2.945 -14.682 1.00 73.91 21 A 1 ATOM 152 N ND2 . ASN A 1 21 ? 1.819 -4.025 -12.919 1.00 73.41 21 A 1 ATOM 153 N N . THR A 1 22 ? -3.211 -3.652 -13.397 1.00 87.91 22 A 1 ATOM 154 C CA . THR A 1 22 ? -4.125 -4.700 -13.884 1.00 86.00 22 A 1 ATOM 155 C C . THR A 1 22 ? -5.182 -4.122 -14.814 1.00 83.07 22 A 1 ATOM 156 O O . THR A 1 22 ? -5.253 -4.575 -15.972 1.00 75.74 22 A 1 ATOM 157 C CB . THR A 1 22 ? -4.806 -5.422 -12.718 1.00 79.90 22 A 1 ATOM 158 O OG1 . THR A 1 22 ? -3.824 -5.861 -11.787 1.00 73.57 22 A 1 ATOM 159 C CG2 . THR A 1 22 ? -5.577 -6.624 -13.198 1.00 74.64 22 A 1 ATOM 160 O OXT . THR A 1 22 ? -5.945 -3.280 -14.364 1.00 73.82 22 A 1 #