# 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_spkb16683 # _entry.id spkb16683 # 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 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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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 GLN 2 1 n SER 3 1 n ILE 4 1 n LYS 5 1 n ARG 6 1 n THR 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n GLY 12 1 n ALA 13 1 n ILE 14 1 n LEU 15 1 n PRO 16 1 n ALA 17 1 n VAL 18 1 n LEU 19 1 n GLY 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 @ 2025-07-08 03:43:23)" _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 91.81 _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 83.61 1 1 A GLN 2 2 84.59 1 2 A SER 3 2 92.87 1 3 A ILE 4 2 90.94 1 4 A LYS 5 2 89.73 1 5 A ARG 6 2 86.96 1 6 A THR 7 2 94.77 1 7 A LEU 8 2 93.55 1 8 A LEU 9 2 94.31 1 9 A LEU 10 2 93.95 1 10 A LEU 11 2 93.37 1 11 A GLY 12 2 96.83 1 12 A ALA 13 2 96.40 1 13 A ILE 14 2 94.65 1 14 A LEU 15 2 93.87 1 15 A PRO 16 2 96.59 1 16 A ALA 17 2 96.64 1 17 A VAL 18 2 94.91 1 18 A LEU 19 2 91.86 1 19 A GLY 20 2 92.76 1 20 A ALA 21 2 83.98 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 GLN . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n GLY . 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 ? -11.403 4.811 8.166 1.00 90.25 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.148 4.732 6.901 1.00 91.28 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.402 3.892 5.870 1.00 91.86 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.196 3.665 5.990 1.00 87.74 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.381 6.135 6.352 1.00 85.76 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.417 6.912 7.154 1.00 81.06 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.919 7.242 8.852 1.00 74.65 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.753 8.575 8.592 1.00 66.31 1 A 1 ATOM 9 N N . GLN A 1 2 ? -12.104 3.434 4.828 1.00 92.97 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -11.497 2.618 3.785 1.00 93.54 2 A 1 ATOM 11 C C . GLN A 1 2 ? -10.375 3.361 3.067 1.00 94.39 2 A 1 ATOM 12 O O . GLN A 1 2 ? -9.399 2.747 2.629 1.00 91.16 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -12.549 2.159 2.775 1.00 90.32 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -13.333 3.285 2.133 1.00 80.04 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -14.449 3.784 3.036 1.00 77.63 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -14.241 4.629 3.885 1.00 72.63 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -15.638 3.250 2.866 1.00 68.64 2 A 1 ATOM 18 N N . SER A 1 3 ? -10.501 4.675 2.942 1.00 94.02 3 A 1 ATOM 19 C CA . SER A 1 3 ? -9.478 5.488 2.290 1.00 95.80 3 A 1 ATOM 20 C C . SER A 1 3 ? -8.156 5.405 3.042 1.00 96.61 3 A 1 ATOM 21 O O . SER A 1 3 ? -7.083 5.391 2.442 1.00 95.54 3 A 1 ATOM 22 C CB . SER A 1 3 ? -9.927 6.941 2.198 1.00 93.75 3 A 1 ATOM 23 O OG . SER A 1 3 ? -11.124 7.046 1.459 1.00 81.48 3 A 1 ATOM 24 N N . ILE A 1 4 ? -8.239 5.331 4.365 1.00 94.74 4 A 1 ATOM 25 C CA . ILE A 1 4 ? -7.049 5.218 5.200 1.00 95.51 4 A 1 ATOM 26 C C . ILE A 1 4 ? -6.356 3.887 4.947 1.00 96.28 4 A 1 ATOM 27 O O . ILE A 1 4 ? -5.128 3.800 4.900 1.00 95.49 4 A 1 ATOM 28 C CB . ILE A 1 4 ? -7.404 5.353 6.688 1.00 95.10 4 A 1 ATOM 29 C CG1 . ILE A 1 4 ? -8.117 6.682 6.955 1.00 87.91 4 A 1 ATOM 30 C CG2 . ILE A 1 4 ? -6.142 5.238 7.542 1.00 85.68 4 A 1 ATOM 31 C CD1 . ILE A 1 4 ? -7.294 7.898 6.551 1.00 76.81 4 A 1 ATOM 32 N N . LYS A 1 5 ? -7.147 2.836 4.764 1.00 96.68 5 A 1 ATOM 33 C CA . LYS A 1 5 ? -6.603 1.508 4.496 1.00 96.57 5 A 1 ATOM 34 C C . LYS A 1 5 ? -5.857 1.515 3.168 1.00 96.46 5 A 1 ATOM 35 O O . LYS A 1 5 ? -4.780 0.933 3.052 1.00 96.55 5 A 1 ATOM 36 C CB . LYS A 1 5 ? -7.709 0.460 4.458 1.00 96.44 5 A 1 ATOM 37 C CG . LYS A 1 5 ? -8.107 -0.056 5.840 1.00 88.85 5 A 1 ATOM 38 C CD . LYS A 1 5 ? -8.616 1.050 6.743 1.00 86.17 5 A 1 ATOM 39 C CE . LYS A 1 5 ? -9.049 0.530 8.094 1.00 78.32 5 A 1 ATOM 40 N NZ . LYS A 1 5 ? -9.511 1.643 8.971 1.00 71.56 5 A 1 ATOM 41 N N . ARG A 1 6 ? -6.429 2.179 2.173 1.00 96.88 6 A 1 ATOM 42 C CA . ARG A 1 6 ? -5.791 2.292 0.866 1.00 96.81 6 A 1 ATOM 43 C C . ARG A 1 6 ? -4.465 3.021 0.991 1.00 97.25 6 A 1 ATOM 44 O O . ARG A 1 6 ? -3.458 2.604 0.426 1.00 96.26 6 A 1 ATOM 45 C CB . ARG A 1 6 ? -6.694 3.051 -0.109 1.00 96.02 6 A 1 ATOM 46 C CG . ARG A 1 6 ? -8.009 2.376 -0.402 1.00 90.48 6 A 1 ATOM 47 C CD . ARG A 1 6 ? -7.813 1.078 -1.184 1.00 85.98 6 A 1 ATOM 48 N NE . ARG A 1 6 ? -7.668 -0.072 -0.290 1.00 79.89 6 A 1 ATOM 49 C CZ . ARG A 1 6 ? -7.530 -1.322 -0.717 1.00 77.17 6 A 1 ATOM 50 N NH1 . ARG A 1 6 ? -7.509 -1.592 -2.003 1.00 71.10 6 A 1 ATOM 51 N NH2 . ARG A 1 6 ? -7.418 -2.305 0.156 1.00 68.67 6 A 1 ATOM 52 N N . THR A 1 7 ? -4.466 4.118 1.753 1.00 96.49 7 A 1 ATOM 53 C CA . THR A 1 7 ? -3.261 4.913 1.964 1.00 96.64 7 A 1 ATOM 54 C C . THR A 1 7 ? -2.195 4.081 2.670 1.00 97.29 7 A 1 ATOM 55 O O . THR A 1 7 ? -1.020 4.118 2.301 1.00 96.88 7 A 1 ATOM 56 C CB . THR A 1 7 ? -3.564 6.156 2.803 1.00 96.46 7 A 1 ATOM 57 O OG1 . THR A 1 7 ? -4.567 6.934 2.163 1.00 91.10 7 A 1 ATOM 58 C CG2 . THR A 1 7 ? -2.315 7.009 2.974 1.00 88.53 7 A 1 ATOM 59 N N . LEU A 1 8 ? -2.610 3.319 3.674 1.00 96.76 8 A 1 ATOM 60 C CA . LEU A 1 8 ? -1.692 2.473 4.427 1.00 96.61 8 A 1 ATOM 61 C C . LEU A 1 8 ? -1.070 1.408 3.533 1.00 96.87 8 A 1 ATOM 62 O O . LEU A 1 8 ? 0.135 1.160 3.597 1.00 96.49 8 A 1 ATOM 63 C CB . LEU A 1 8 ? -2.430 1.808 5.588 1.00 96.56 8 A 1 ATOM 64 C CG . LEU A 1 8 ? -1.536 0.949 6.480 1.00 90.36 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? -0.485 1.800 7.168 1.00 86.82 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? -2.375 0.207 7.513 1.00 87.93 8 A 1 ATOM 67 N N . LEU A 1 9 ? -1.892 0.779 2.703 1.00 96.88 9 A 1 ATOM 68 C CA . LEU A 1 9 ? -1.418 -0.264 1.801 1.00 96.81 9 A 1 ATOM 69 C C . LEU A 1 9 ? -0.493 0.301 0.730 1.00 96.92 9 A 1 ATOM 70 O O . LEU A 1 9 ? 0.541 -0.292 0.419 1.00 96.59 9 A 1 ATOM 71 C CB . LEU A 1 9 ? -2.608 -0.965 1.141 1.00 96.76 9 A 1 ATOM 72 C CG . LEU A 1 9 ? -3.460 -1.786 2.106 1.00 91.75 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? -4.718 -2.282 1.410 1.00 89.24 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? -2.666 -2.963 2.653 1.00 89.52 9 A 1 ATOM 75 N N . LEU A 1 10 ? -0.859 1.453 0.178 1.00 96.96 10 A 1 ATOM 76 C CA . LEU A 1 10 ? -0.059 2.089 -0.863 1.00 96.85 10 A 1 ATOM 77 C C . LEU A 1 10 ? 1.317 2.481 -0.336 1.00 97.00 10 A 1 ATOM 78 O O . LEU A 1 10 ? 2.343 2.106 -0.904 1.00 96.57 10 A 1 ATOM 79 C CB . LEU A 1 10 ? -0.778 3.326 -1.404 1.00 96.69 10 A 1 ATOM 80 C CG . LEU A 1 10 ? -2.029 3.021 -2.221 1.00 90.94 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? -2.782 4.306 -2.535 1.00 88.11 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? -1.662 2.294 -3.507 1.00 88.50 10 A 1 ATOM 83 N N . LEU A 1 11 ? 1.337 3.231 0.757 1.00 96.32 11 A 1 ATOM 84 C CA . LEU A 1 11 ? 2.594 3.657 1.360 1.00 96.06 11 A 1 ATOM 85 C C . LEU A 1 11 ? 3.342 2.466 1.935 1.00 96.38 11 A 1 ATOM 86 O O . LEU A 1 11 ? 4.571 2.411 1.888 1.00 95.79 11 A 1 ATOM 87 C CB . LEU A 1 11 ? 2.339 4.691 2.459 1.00 95.50 11 A 1 ATOM 88 C CG . LEU A 1 11 ? 2.187 6.125 1.944 1.00 91.65 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? 0.996 6.258 1.006 1.00 87.90 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? 2.047 7.084 3.117 1.00 87.35 11 A 1 ATOM 91 N N . GLY A 1 12 ? 2.595 1.513 2.472 1.00 96.70 12 A 1 ATOM 92 C CA . GLY A 1 12 ? 3.187 0.317 3.050 1.00 96.51 12 A 1 ATOM 93 C C . GLY A 1 12 ? 3.896 -0.540 2.024 1.00 97.23 12 A 1 ATOM 94 O O . GLY A 1 12 ? 4.813 -1.290 2.363 1.00 96.87 12 A 1 ATOM 95 N N . ALA A 1 13 ? 3.472 -0.449 0.761 1.00 96.69 13 A 1 ATOM 96 C CA . ALA A 1 13 ? 4.084 -1.215 -0.320 1.00 96.69 13 A 1 ATOM 97 C C . ALA A 1 13 ? 5.161 -0.413 -1.048 1.00 97.22 13 A 1 ATOM 98 O O . ALA A 1 13 ? 6.203 -0.956 -1.424 1.00 95.81 13 A 1 ATOM 99 C CB . ALA A 1 13 ? 3.010 -1.661 -1.310 1.00 95.61 13 A 1 ATOM 100 N N . ILE A 1 14 ? 4.907 0.869 -1.253 1.00 97.04 14 A 1 ATOM 101 C CA . ILE A 1 14 ? 5.835 1.736 -1.976 1.00 97.05 14 A 1 ATOM 102 C C . ILE A 1 14 ? 7.048 2.104 -1.124 1.00 97.40 14 A 1 ATOM 103 O O . ILE A 1 14 ? 8.185 2.068 -1.600 1.00 96.55 14 A 1 ATOM 104 C CB . ILE A 1 14 ? 5.129 3.019 -2.454 1.00 96.47 14 A 1 ATOM 105 C CG1 . ILE A 1 14 ? 3.979 2.668 -3.402 1.00 92.93 14 A 1 ATOM 106 C CG2 . ILE A 1 14 ? 6.125 3.943 -3.148 1.00 91.66 14 A 1 ATOM 107 C CD1 . ILE A 1 14 ? 3.090 3.850 -3.736 1.00 88.08 14 A 1 ATOM 108 N N . LEU A 1 15 ? 6.805 2.458 0.128 1.00 97.16 15 A 1 ATOM 109 C CA . LEU A 1 15 ? 7.878 2.871 1.032 1.00 96.81 15 A 1 ATOM 110 C C . LEU A 1 15 ? 8.977 1.816 1.164 1.00 97.03 15 A 1 ATOM 111 O O . LEU A 1 15 ? 10.155 2.130 0.967 1.00 96.46 15 A 1 ATOM 112 C CB . LEU A 1 15 ? 7.296 3.223 2.403 1.00 96.13 15 A 1 ATOM 113 C CG . LEU A 1 15 ? 8.313 3.770 3.401 1.00 91.16 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? 8.924 5.063 2.884 1.00 87.79 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 7.655 3.994 4.752 1.00 88.42 15 A 1 ATOM 116 N N . PRO A 1 16 ? 8.641 0.564 1.501 1.00 97.47 16 A 1 ATOM 117 C CA . PRO A 1 16 ? 9.667 -0.479 1.640 1.00 97.10 16 A 1 ATOM 118 C C . PRO A 1 16 ? 10.344 -0.798 0.317 1.00 97.34 16 A 1 ATOM 119 O O . PRO A 1 16 ? 11.521 -1.162 0.299 1.00 96.46 16 A 1 ATOM 120 C CB . PRO A 1 16 ? 8.885 -1.693 2.158 1.00 95.98 16 A 1 ATOM 121 C CG . PRO A 1 16 ? 7.480 -1.437 1.751 1.00 94.93 16 A 1 ATOM 122 C CD . PRO A 1 16 ? 7.312 0.060 1.808 1.00 96.88 16 A 1 ATOM 123 N N . ALA A 1 17 ? 9.627 -0.672 -0.794 1.00 97.24 17 A 1 ATOM 124 C CA . ALA A 1 17 ? 10.188 -0.927 -2.116 1.00 97.02 17 A 1 ATOM 125 C C . ALA A 1 17 ? 11.279 0.087 -2.448 1.00 97.23 17 A 1 ATOM 126 O O . ALA A 1 17 ? 12.321 -0.267 -3.004 1.00 95.56 17 A 1 ATOM 127 C CB . ALA A 1 17 ? 9.089 -0.880 -3.174 1.00 96.16 17 A 1 ATOM 128 N N . VAL A 1 18 ? 11.043 1.347 -2.098 1.00 96.86 18 A 1 ATOM 129 C CA . VAL A 1 18 ? 12.004 2.417 -2.347 1.00 96.52 18 A 1 ATOM 130 C C . VAL A 1 18 ? 13.185 2.330 -1.389 1.00 96.49 18 A 1 ATOM 131 O O . VAL A 1 18 ? 14.343 2.424 -1.800 1.00 95.09 18 A 1 ATOM 132 C CB . VAL A 1 18 ? 11.341 3.797 -2.217 1.00 95.54 18 A 1 ATOM 133 C CG1 . VAL A 1 18 ? 12.368 4.909 -2.398 1.00 91.78 18 A 1 ATOM 134 C CG2 . VAL A 1 18 ? 10.225 3.940 -3.230 1.00 92.11 18 A 1 ATOM 135 N N . LEU A 1 19 ? 12.893 2.148 -0.113 1.00 95.55 19 A 1 ATOM 136 C CA . LEU A 1 19 ? 13.934 2.065 0.908 1.00 95.09 19 A 1 ATOM 137 C C . LEU A 1 19 ? 14.747 0.785 0.773 1.00 95.07 19 A 1 ATOM 138 O O . LEU A 1 19 ? 15.967 0.797 0.936 1.00 93.40 19 A 1 ATOM 139 C CB . LEU A 1 19 ? 13.303 2.130 2.301 1.00 94.17 19 A 1 ATOM 140 C CG . LEU A 1 19 ? 12.624 3.460 2.631 1.00 91.11 19 A 1 ATOM 141 C CD1 . LEU A 1 19 ? 11.929 3.370 3.981 1.00 85.86 19 A 1 ATOM 142 C CD2 . LEU A 1 19 ? 13.631 4.594 2.632 1.00 84.60 19 A 1 ATOM 143 N N . GLY A 1 20 ? 14.073 -0.316 0.473 1.00 94.19 20 A 1 ATOM 144 C CA . GLY A 1 20 ? 14.737 -1.604 0.317 1.00 93.18 20 A 1 ATOM 145 C C . GLY A 1 20 ? 15.715 -1.617 -0.841 1.00 93.17 20 A 1 ATOM 146 O O . GLY A 1 20 ? 16.887 -1.951 -0.675 1.00 90.49 20 A 1 ATOM 147 N N . ALA A 1 21 ? 15.218 -1.257 -2.035 1.00 91.55 21 A 1 ATOM 148 C CA . ALA A 1 21 ? 16.056 -1.228 -3.220 1.00 88.97 21 A 1 ATOM 149 C C . ALA A 1 21 ? 15.307 -0.588 -4.392 1.00 86.27 21 A 1 ATOM 150 O O . ALA A 1 21 ? 14.069 -0.472 -4.333 1.00 77.96 21 A 1 ATOM 151 C CB . ALA A 1 21 ? 16.502 -2.644 -3.591 1.00 83.71 21 A 1 ATOM 152 O OXT . ALA A 1 21 ? 15.953 -0.218 -5.391 1.00 75.45 21 A 1 #