# 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_spkb12082 # _entry.id spkb12082 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 ARG 2 1 n VAL 3 1 n SER 4 1 n ALA 5 1 n GLY 6 1 n LEU 7 1 n MET 8 1 n ILE 9 1 n GLY 10 1 n GLY 11 1 n SER 12 1 n CYS 13 1 n VAL 14 1 n ALA 15 1 n THR 16 1 n ALA 17 1 n ALA 18 1 n THR 19 1 n ILE 20 1 n LEU 21 1 n ASN 22 1 n ALA 23 # _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 @ 2025-07-05 06:26:02)" _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 91.69 _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 82.81 1 1 A ARG 2 2 81.62 1 2 A VAL 3 2 88.91 1 3 A SER 4 2 90.75 1 4 A ALA 5 2 93.40 1 5 A GLY 6 2 93.43 1 6 A LEU 7 2 89.94 1 7 A MET 8 2 88.71 1 8 A ILE 9 2 93.42 1 9 A GLY 10 2 95.47 1 10 A GLY 11 2 95.44 1 11 A SER 12 2 93.89 1 12 A CYS 13 2 93.39 1 13 A VAL 14 2 94.73 1 14 A ALA 15 2 95.21 1 15 A THR 16 2 94.40 1 16 A ALA 17 2 96.03 1 17 A ALA 18 2 95.93 1 18 A THR 19 2 94.24 1 19 A ILE 20 2 95.17 1 20 A LEU 21 2 94.54 1 21 A ASN 22 2 91.49 1 22 A ALA 23 2 90.65 1 23 # _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 VAL . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ASN . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -17.263 -0.142 -2.472 1.00 86.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.106 -1.015 -2.743 1.00 88.09 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.061 -0.270 -3.576 1.00 89.88 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.981 -0.453 -4.787 1.00 86.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.545 -2.264 -3.512 1.00 84.40 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.595 -3.063 -2.768 1.00 80.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.139 -4.487 -3.732 1.00 77.98 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.507 -5.045 -2.736 1.00 67.73 1 A 1 ATOM 9 N N . ARG A 1 2 ? -14.306 0.592 -2.944 1.00 86.30 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -13.282 1.374 -3.643 1.00 90.51 2 A 1 ATOM 11 C C . ARG A 1 2 ? -12.002 1.464 -2.817 1.00 91.79 2 A 1 ATOM 12 O O . ARG A 1 2 ? -10.947 1.007 -3.244 1.00 89.46 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -13.807 2.781 -3.945 1.00 87.76 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -14.959 2.793 -4.940 1.00 82.17 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -14.450 2.665 -6.375 1.00 82.30 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -15.550 2.709 -7.335 1.00 75.28 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -15.401 2.822 -8.650 1.00 75.81 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -14.197 2.898 -9.182 1.00 68.08 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -16.455 2.854 -9.432 1.00 68.36 2 A 1 ATOM 20 N N . VAL A 1 3 ? -12.095 2.054 -1.625 1.00 90.22 3 A 1 ATOM 21 C CA . VAL A 1 3 ? -10.938 2.225 -0.744 1.00 90.95 3 A 1 ATOM 22 C C . VAL A 1 3 ? -10.431 0.882 -0.230 1.00 92.79 3 A 1 ATOM 23 O O . VAL A 1 3 ? -9.233 0.598 -0.292 1.00 92.31 3 A 1 ATOM 24 C CB . VAL A 1 3 ? -11.273 3.146 0.438 1.00 88.47 3 A 1 ATOM 25 C CG1 . VAL A 1 3 ? -10.052 3.355 1.319 1.00 83.64 3 A 1 ATOM 26 C CG2 . VAL A 1 3 ? -11.787 4.488 -0.060 1.00 84.02 3 A 1 ATOM 27 N N . SER A 1 4 ? -11.350 0.055 0.266 1.00 92.69 4 A 1 ATOM 28 C CA . SER A 1 4 ? -10.990 -1.260 0.801 1.00 93.12 4 A 1 ATOM 29 C C . SER A 1 4 ? -10.391 -2.151 -0.277 1.00 93.57 4 A 1 ATOM 30 O O . SER A 1 4 ? -9.425 -2.870 -0.033 1.00 93.10 4 A 1 ATOM 31 C CB . SER A 1 4 ? -12.212 -1.935 1.413 1.00 91.31 4 A 1 ATOM 32 O OG . SER A 1 4 ? -12.742 -1.142 2.457 1.00 80.69 4 A 1 ATOM 33 N N . ALA A 1 5 ? -10.952 -2.087 -1.484 1.00 93.22 5 A 1 ATOM 34 C CA . ALA A 1 5 ? -10.457 -2.879 -2.608 1.00 93.86 5 A 1 ATOM 35 C C . ALA A 1 5 ? -9.037 -2.470 -2.980 1.00 94.73 5 A 1 ATOM 36 O O . ALA A 1 5 ? -8.180 -3.314 -3.224 1.00 93.10 5 A 1 ATOM 37 C CB . ALA A 1 5 ? -11.387 -2.720 -3.803 1.00 92.10 5 A 1 ATOM 38 N N . GLY A 1 6 ? -8.780 -1.166 -3.016 1.00 93.17 6 A 1 ATOM 39 C CA . GLY A 1 6 ? -7.454 -0.653 -3.342 1.00 92.80 6 A 1 ATOM 40 C C . GLY A 1 6 ? -6.416 -1.044 -2.309 1.00 94.23 6 A 1 ATOM 41 O O . GLY A 1 6 ? -5.280 -1.366 -2.648 1.00 93.51 6 A 1 ATOM 42 N N . LEU A 1 7 ? -6.808 -1.032 -1.039 1.00 93.04 7 A 1 ATOM 43 C CA . LEU A 1 7 ? -5.911 -1.401 0.052 1.00 93.19 7 A 1 ATOM 44 C C . LEU A 1 7 ? -5.543 -2.881 -0.001 1.00 95.06 7 A 1 ATOM 45 O O . LEU A 1 7 ? -4.380 -3.239 0.182 1.00 94.07 7 A 1 ATOM 46 C CB . LEU A 1 7 ? -6.566 -1.067 1.393 1.00 91.73 7 A 1 ATOM 47 C CG . LEU A 1 7 ? -6.482 0.414 1.764 1.00 86.43 7 A 1 ATOM 48 C CD1 . LEU A 1 7 ? -7.508 0.756 2.838 1.00 83.41 7 A 1 ATOM 49 C CD2 . LEU A 1 7 ? -5.087 0.752 2.258 1.00 82.58 7 A 1 ATOM 50 N N . MET A 1 8 ? -6.534 -3.731 -0.246 1.00 93.12 8 A 1 ATOM 51 C CA . MET A 1 8 ? -6.299 -5.176 -0.312 1.00 93.94 8 A 1 ATOM 52 C C . MET A 1 8 ? -5.527 -5.568 -1.569 1.00 95.01 8 A 1 ATOM 53 O O . MET A 1 8 ? -4.606 -6.378 -1.510 1.00 93.75 8 A 1 ATOM 54 C CB . MET A 1 8 ? -7.628 -5.931 -0.255 1.00 92.90 8 A 1 ATOM 55 C CG . MET A 1 8 ? -8.279 -5.882 1.106 1.00 86.51 8 A 1 ATOM 56 S SD . MET A 1 8 ? -9.681 -7.001 1.250 1.00 81.13 8 A 1 ATOM 57 C CE . MET A 1 8 ? -8.819 -8.553 1.536 1.00 73.29 8 A 1 ATOM 58 N N . ILE A 1 9 ? -5.898 -4.979 -2.701 1.00 95.39 9 A 1 ATOM 59 C CA . ILE A 1 9 ? -5.255 -5.287 -3.978 1.00 95.55 9 A 1 ATOM 60 C C . ILE A 1 9 ? -3.826 -4.752 -4.019 1.00 96.11 9 A 1 ATOM 61 O O . ILE A 1 9 ? -2.906 -5.442 -4.462 1.00 95.81 9 A 1 ATOM 62 C CB . ILE A 1 9 ? -6.076 -4.712 -5.146 1.00 95.06 9 A 1 ATOM 63 C CG1 . ILE A 1 9 ? -7.446 -5.405 -5.219 1.00 92.48 9 A 1 ATOM 64 C CG2 . ILE A 1 9 ? -5.329 -4.893 -6.469 1.00 90.82 9 A 1 ATOM 65 C CD1 . ILE A 1 9 ? -8.457 -4.643 -6.051 1.00 86.15 9 A 1 ATOM 66 N N . GLY A 1 10 ? -3.637 -3.524 -3.557 1.00 94.99 10 A 1 ATOM 67 C CA . GLY A 1 10 ? -2.314 -2.899 -3.570 1.00 95.07 10 A 1 ATOM 68 C C . GLY A 1 10 ? -1.689 -2.774 -2.191 1.00 96.15 10 A 1 ATOM 69 O O . GLY A 1 10 ? -0.730 -2.028 -2.012 1.00 95.67 10 A 1 ATOM 70 N N . GLY A 1 11 ? -2.228 -3.494 -1.214 1.00 95.08 11 A 1 ATOM 71 C CA . GLY A 1 11 ? -1.727 -3.425 0.156 1.00 95.03 11 A 1 ATOM 72 C C . GLY A 1 11 ? -0.294 -3.897 0.292 1.00 96.08 11 A 1 ATOM 73 O O . GLY A 1 11 ? 0.536 -3.228 0.911 1.00 95.55 11 A 1 ATOM 74 N N . SER A 1 12 ? 0.010 -5.042 -0.298 1.00 95.34 12 A 1 ATOM 75 C CA . SER A 1 12 ? 1.363 -5.597 -0.241 1.00 95.61 12 A 1 ATOM 76 C C . SER A 1 12 ? 2.359 -4.712 -0.982 1.00 96.39 12 A 1 ATOM 77 O O . SER A 1 12 ? 3.501 -4.552 -0.552 1.00 95.38 12 A 1 ATOM 78 C CB . SER A 1 12 ? 1.376 -7.004 -0.839 1.00 94.10 12 A 1 ATOM 79 O OG . SER A 1 12 ? 0.931 -6.970 -2.177 1.00 86.52 12 A 1 ATOM 80 N N . CYS A 1 13 ? 1.926 -4.129 -2.092 1.00 94.44 13 A 1 ATOM 81 C CA . CYS A 1 13 ? 2.774 -3.248 -2.890 1.00 94.97 13 A 1 ATOM 82 C C . CYS A 1 13 ? 3.142 -1.989 -2.107 1.00 95.73 13 A 1 ATOM 83 O O . CYS A 1 13 ? 4.298 -1.563 -2.100 1.00 94.47 13 A 1 ATOM 84 C CB . CYS A 1 13 ? 2.062 -2.874 -4.192 1.00 93.10 13 A 1 ATOM 85 S SG . CYS A 1 13 ? 3.145 -1.985 -5.325 1.00 87.64 13 A 1 ATOM 86 N N . VAL A 1 14 ? 2.161 -1.411 -1.435 1.00 95.05 14 A 1 ATOM 87 C CA . VAL A 1 14 ? 2.375 -0.207 -0.629 1.00 95.74 14 A 1 ATOM 88 C C . VAL A 1 14 ? 3.304 -0.507 0.544 1.00 96.65 14 A 1 ATOM 89 O O . VAL A 1 14 ? 4.198 0.283 0.856 1.00 96.71 14 A 1 ATOM 90 C CB . VAL A 1 14 ? 1.041 0.351 -0.117 1.00 94.98 14 A 1 ATOM 91 C CG1 . VAL A 1 14 ? 1.269 1.523 0.829 1.00 91.90 14 A 1 ATOM 92 C CG2 . VAL A 1 14 ? 0.173 0.791 -1.286 1.00 92.08 14 A 1 ATOM 93 N N . ALA A 1 15 ? 3.097 -1.642 1.192 1.00 95.07 15 A 1 ATOM 94 C CA . ALA A 1 15 ? 3.926 -2.048 2.323 1.00 94.93 15 A 1 ATOM 95 C C . ALA A 1 15 ? 5.381 -2.236 1.895 1.00 96.24 15 A 1 ATOM 96 O O . ALA A 1 15 ? 6.304 -1.816 2.595 1.00 95.64 15 A 1 ATOM 97 C CB . ALA A 1 15 ? 3.383 -3.337 2.927 1.00 94.18 15 A 1 ATOM 98 N N . THR A 1 16 ? 5.585 -2.854 0.743 1.00 95.06 16 A 1 ATOM 99 C CA . THR A 1 16 ? 6.928 -3.080 0.208 1.00 95.12 16 A 1 ATOM 100 C C . THR A 1 16 ? 7.604 -1.753 -0.123 1.00 96.50 16 A 1 ATOM 101 O O . THR A 1 16 ? 8.773 -1.542 0.206 1.00 96.46 16 A 1 ATOM 102 C CB . THR A 1 16 ? 6.871 -3.952 -1.052 1.00 94.70 16 A 1 ATOM 103 O OG1 . THR A 1 16 ? 6.204 -5.174 -0.755 1.00 91.98 16 A 1 ATOM 104 C CG2 . THR A 1 16 ? 8.273 -4.269 -1.560 1.00 91.00 16 A 1 ATOM 105 N N . ALA A 1 17 ? 6.864 -0.851 -0.760 1.00 95.95 17 A 1 ATOM 106 C CA . ALA A 1 17 ? 7.390 0.462 -1.124 1.00 95.79 17 A 1 ATOM 107 C C . ALA A 1 17 ? 7.775 1.260 0.119 1.00 96.74 17 A 1 ATOM 108 O O . ALA A 1 17 ? 8.817 1.917 0.144 1.00 96.51 17 A 1 ATOM 109 C CB . ALA A 1 17 ? 6.358 1.226 -1.944 1.00 95.16 17 A 1 ATOM 110 N N . ALA A 1 18 ? 6.949 1.186 1.156 1.00 96.13 18 A 1 ATOM 111 C CA . ALA A 1 18 ? 7.214 1.885 2.409 1.00 95.69 18 A 1 ATOM 112 C C . ALA A 1 18 ? 8.489 1.368 3.066 1.00 96.58 18 A 1 ATOM 113 O O . ALA A 1 18 ? 9.288 2.147 3.585 1.00 96.22 18 A 1 ATOM 114 C CB . ALA A 1 18 ? 6.030 1.719 3.356 1.00 95.03 18 A 1 ATOM 115 N N . THR A 1 19 ? 8.692 0.056 3.035 1.00 96.13 19 A 1 ATOM 116 C CA . THR A 1 19 ? 9.887 -0.564 3.615 1.00 95.56 19 A 1 ATOM 117 C C . THR A 1 19 ? 11.145 -0.115 2.875 1.00 96.64 19 A 1 ATOM 118 O O . THR A 1 19 ? 12.166 0.189 3.493 1.00 96.54 19 A 1 ATOM 119 C CB . THR A 1 19 ? 9.785 -2.093 3.559 1.00 95.04 19 A 1 ATOM 120 O OG1 . THR A 1 19 ? 8.604 -2.513 4.239 1.00 90.75 19 A 1 ATOM 121 C CG2 . THR A 1 19 ? 10.987 -2.747 4.230 1.00 89.03 19 A 1 ATOM 122 N N . ILE A 1 20 ? 11.070 -0.068 1.551 1.00 96.65 20 A 1 ATOM 123 C CA . ILE A 1 20 ? 12.203 0.351 0.728 1.00 96.34 20 A 1 ATOM 124 C C . ILE A 1 20 ? 12.534 1.821 0.972 1.00 96.70 20 A 1 ATOM 125 O O . ILE A 1 20 ? 13.706 2.193 1.085 1.00 96.54 20 A 1 ATOM 126 C CB . ILE A 1 20 ? 11.906 0.112 -0.764 1.00 96.52 20 A 1 ATOM 127 C CG1 . ILE A 1 20 ? 11.754 -1.391 -1.044 1.00 94.81 20 A 1 ATOM 128 C CG2 . ILE A 1 20 ? 13.027 0.695 -1.634 1.00 93.88 20 A 1 ATOM 129 C CD1 . ILE A 1 20 ? 11.096 -1.681 -2.381 1.00 89.90 20 A 1 ATOM 130 N N . LEU A 1 21 ? 11.502 2.655 1.059 1.00 97.25 21 A 1 ATOM 131 C CA . LEU A 1 21 ? 11.683 4.088 1.284 1.00 96.76 21 A 1 ATOM 132 C C . LEU A 1 21 ? 12.222 4.364 2.682 1.00 97.06 21 A 1 ATOM 133 O O . LEU A 1 21 ? 13.076 5.229 2.877 1.00 97.00 21 A 1 ATOM 134 C CB . LEU A 1 21 ? 10.349 4.826 1.071 1.00 96.52 21 A 1 ATOM 135 C CG . LEU A 1 21 ? 10.244 5.608 -0.240 1.00 93.39 21 A 1 ATOM 136 C CD1 . LEU A 1 21 ? 11.245 6.754 -0.262 1.00 89.55 21 A 1 ATOM 137 C CD2 . LEU A 1 21 ? 10.463 4.697 -1.436 1.00 88.80 21 A 1 ATOM 138 N N . ASN A 1 22 ? 11.710 3.623 3.672 1.00 94.93 22 A 1 ATOM 139 C CA . ASN A 1 22 ? 12.150 3.783 5.059 1.00 94.70 22 A 1 ATOM 140 C C . ASN A 1 22 ? 13.532 3.174 5.276 1.00 95.26 22 A 1 ATOM 141 O O . ASN A 1 22 ? 14.303 3.638 6.119 1.00 95.29 22 A 1 ATOM 142 C CB . ASN A 1 22 ? 11.135 3.132 6.008 1.00 93.40 22 A 1 ATOM 143 C CG . ASN A 1 22 ? 11.067 3.854 7.334 1.00 89.75 22 A 1 ATOM 144 O OD1 . ASN A 1 22 ? 11.132 5.076 7.407 1.00 84.91 22 A 1 ATOM 145 N ND2 . ASN A 1 22 ? 10.908 3.113 8.414 1.00 83.65 22 A 1 ATOM 146 N N . ALA A 1 23 ? 13.848 2.133 4.492 1.00 94.46 23 A 1 ATOM 147 C CA . ALA A 1 23 ? 15.140 1.430 4.547 1.00 93.52 23 A 1 ATOM 148 C C . ALA A 1 23 ? 15.361 0.822 5.929 1.00 91.68 23 A 1 ATOM 149 O O . ALA A 1 23 ? 15.273 -0.420 6.046 1.00 89.52 23 A 1 ATOM 150 C CB . ALA A 1 23 ? 16.292 2.374 4.173 1.00 91.63 23 A 1 ATOM 151 O OXT . ALA A 1 23 ? 15.597 1.555 6.866 1.00 83.09 23 A 1 #