# 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_spkb44068 # _entry.id spkb44068 # 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 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" "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" "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 PHE 2 1 n PRO 3 1 n PHE 4 1 n ARG 5 1 n ARG 6 1 n ASN 7 1 n VAL 8 1 n LEU 9 1 n ALA 10 1 n PHE 11 1 n ALA 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n ALA 16 1 n LEU 17 1 n SER 18 1 n SER 19 1 n PRO 20 1 n VAL 21 1 n LEU 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 @ 2025-07-04 19:56:19)" _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 88.01 _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 77.87 1 1 A PHE 2 2 81.65 1 2 A PRO 3 2 91.13 1 3 A PHE 4 2 88.13 1 4 A ARG 5 2 83.75 1 5 A ARG 6 2 85.00 1 6 A ASN 7 2 92.34 1 7 A VAL 8 2 93.95 1 8 A LEU 9 2 93.08 1 9 A ALA 10 2 95.51 1 10 A PHE 11 2 91.11 1 11 A ALA 12 2 95.45 1 12 A ALA 13 2 95.39 1 13 A LEU 14 2 92.03 1 14 A LEU 15 2 91.02 1 15 A ALA 16 2 93.65 1 16 A LEU 17 2 89.11 1 17 A SER 18 2 89.65 1 18 A SER 19 2 86.57 1 19 A PRO 20 2 88.25 1 20 A VAL 21 2 84.15 1 21 A LEU 22 2 81.28 1 22 A ALA 23 2 76.25 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 PHE . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n ASN . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ALA . 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 ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n PRO . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n LEU . 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 ? -1.313 -19.902 3.577 1.00 84.51 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.147 -18.631 4.318 1.00 85.10 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.128 -17.445 3.362 1.00 85.95 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.213 -17.323 2.553 1.00 82.47 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.155 -18.675 5.109 1.00 79.02 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.048 -17.928 6.435 1.00 73.55 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.535 -18.134 7.411 1.00 69.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.061 -17.259 8.899 1.00 62.81 1 A 1 ATOM 9 N N . PHE A 1 2 ? -2.122 -16.589 3.449 1.00 86.52 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -2.205 -15.427 2.571 1.00 88.74 2 A 1 ATOM 11 C C . PHE A 1 2 ? -2.310 -14.139 3.389 1.00 91.77 2 A 1 ATOM 12 O O . PHE A 1 2 ? -3.406 -13.734 3.781 1.00 89.67 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -3.410 -15.577 1.647 1.00 85.17 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -3.018 -15.553 0.196 1.00 80.26 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -2.293 -16.594 -0.353 1.00 77.76 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -3.376 -14.487 -0.613 1.00 76.42 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -1.929 -16.574 -1.693 1.00 74.21 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -3.019 -14.461 -1.953 1.00 74.30 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -2.293 -15.511 -2.497 1.00 73.34 2 A 1 ATOM 20 N N . PRO A 1 3 ? -1.175 -13.501 3.650 1.00 91.95 3 A 1 ATOM 21 C CA . PRO A 1 3 ? -1.142 -12.264 4.439 1.00 92.99 3 A 1 ATOM 22 C C . PRO A 1 3 ? -1.616 -11.052 3.634 1.00 94.33 3 A 1 ATOM 23 O O . PRO A 1 3 ? -0.895 -10.067 3.487 1.00 91.96 3 A 1 ATOM 24 C CB . PRO A 1 3 ? 0.337 -12.129 4.824 1.00 89.90 3 A 1 ATOM 25 C CG . PRO A 1 3 ? 1.093 -12.805 3.730 1.00 86.95 3 A 1 ATOM 26 C CD . PRO A 1 3 ? 0.176 -13.913 3.226 1.00 89.81 3 A 1 ATOM 27 N N . PHE A 1 4 ? -2.819 -11.152 3.109 1.00 93.62 4 A 1 ATOM 28 C CA . PHE A 1 4 ? -3.370 -10.074 2.295 1.00 93.78 4 A 1 ATOM 29 C C . PHE A 1 4 ? -3.586 -8.822 3.137 1.00 95.02 4 A 1 ATOM 30 O O . PHE A 1 4 ? -3.378 -7.699 2.683 1.00 93.21 4 A 1 ATOM 31 C CB . PHE A 1 4 ? -4.694 -10.528 1.679 1.00 92.19 4 A 1 ATOM 32 C CG . PHE A 1 4 ? -4.872 -10.003 0.282 1.00 87.09 4 A 1 ATOM 33 C CD1 . PHE A 1 4 ? -5.187 -8.676 0.063 1.00 84.78 4 A 1 ATOM 34 C CD2 . PHE A 1 4 ? -4.720 -10.844 -0.808 1.00 84.00 4 A 1 ATOM 35 C CE1 . PHE A 1 4 ? -5.346 -8.184 -1.223 1.00 82.30 4 A 1 ATOM 36 C CE2 . PHE A 1 4 ? -4.883 -10.362 -2.098 1.00 82.01 4 A 1 ATOM 37 C CZ . PHE A 1 4 ? -5.196 -9.029 -2.305 1.00 81.43 4 A 1 ATOM 38 N N . ARG A 1 5 ? -3.988 -9.040 4.372 1.00 92.94 5 A 1 ATOM 39 C CA . ARG A 1 5 ? -4.220 -7.920 5.290 1.00 93.53 5 A 1 ATOM 40 C C . ARG A 1 5 ? -2.915 -7.165 5.552 1.00 94.43 5 A 1 ATOM 41 O O . ARG A 1 5 ? -2.888 -5.939 5.559 1.00 93.30 5 A 1 ATOM 42 C CB . ARG A 1 5 ? -4.801 -8.453 6.601 1.00 92.16 5 A 1 ATOM 43 C CG . ARG A 1 5 ? -5.454 -7.365 7.438 1.00 85.96 5 A 1 ATOM 44 C CD . ARG A 1 5 ? -6.666 -6.774 6.746 1.00 82.85 5 A 1 ATOM 45 N NE . ARG A 1 5 ? -7.806 -7.704 6.736 1.00 76.57 5 A 1 ATOM 46 C CZ . ARG A 1 5 ? -8.654 -7.830 7.735 1.00 74.03 5 A 1 ATOM 47 N NH1 . ARG A 1 5 ? -8.523 -7.116 8.831 1.00 67.48 5 A 1 ATOM 48 N NH2 . ARG A 1 5 ? -9.665 -8.673 7.637 1.00 67.95 5 A 1 ATOM 49 N N . ARG A 1 6 ? -1.841 -7.917 5.778 1.00 94.82 6 A 1 ATOM 50 C CA . ARG A 1 6 ? -0.540 -7.305 6.038 1.00 94.77 6 A 1 ATOM 51 C C . ARG A 1 6 ? -0.039 -6.560 4.803 1.00 95.38 6 A 1 ATOM 52 O O . ARG A 1 6 ? 0.514 -5.467 4.910 1.00 94.36 6 A 1 ATOM 53 C CB . ARG A 1 6 ? 0.473 -8.383 6.421 1.00 93.46 6 A 1 ATOM 54 C CG . ARG A 1 6 ? 1.502 -7.879 7.407 1.00 86.67 6 A 1 ATOM 55 C CD . ARG A 1 6 ? 1.093 -8.269 8.828 1.00 83.54 6 A 1 ATOM 56 N NE . ARG A 1 6 ? 2.256 -8.582 9.662 1.00 78.09 6 A 1 ATOM 57 C CZ . ARG A 1 6 ? 2.982 -7.677 10.310 1.00 75.12 6 A 1 ATOM 58 N NH1 . ARG A 1 6 ? 2.704 -6.400 10.209 1.00 69.71 6 A 1 ATOM 59 N NH2 . ARG A 1 6 ? 4.001 -8.058 11.062 1.00 69.13 6 A 1 ATOM 60 N N . ASN A 1 7 ? -0.235 -7.164 3.645 1.00 95.66 7 A 1 ATOM 61 C CA . ASN A 1 7 ? 0.199 -6.558 2.386 1.00 95.45 7 A 1 ATOM 62 C C . ASN A 1 7 ? -0.567 -5.265 2.124 1.00 95.93 7 A 1 ATOM 63 O O . ASN A 1 7 ? 0.024 -4.233 1.809 1.00 95.13 7 A 1 ATOM 64 C CB . ASN A 1 7 ? -0.021 -7.540 1.237 1.00 94.58 7 A 1 ATOM 65 C CG . ASN A 1 7 ? 0.738 -7.117 -0.002 1.00 91.73 7 A 1 ATOM 66 O OD1 . ASN A 1 7 ? 0.871 -5.950 -0.306 1.00 85.73 7 A 1 ATOM 67 N ND2 . ASN A 1 7 ? 1.242 -8.084 -0.747 1.00 84.49 7 A 1 ATOM 68 N N . VAL A 1 8 ? -1.861 -5.323 2.273 1.00 95.37 8 A 1 ATOM 69 C CA . VAL A 1 8 ? -2.706 -4.149 2.052 1.00 95.32 8 A 1 ATOM 70 C C . VAL A 1 8 ? -2.376 -3.055 3.060 1.00 95.50 8 A 1 ATOM 71 O O . VAL A 1 8 ? -2.298 -1.877 2.712 1.00 94.77 8 A 1 ATOM 72 C CB . VAL A 1 8 ? -4.190 -4.526 2.149 1.00 94.75 8 A 1 ATOM 73 C CG1 . VAL A 1 8 ? -5.065 -3.291 2.030 1.00 90.92 8 A 1 ATOM 74 C CG2 . VAL A 1 8 ? -4.550 -5.524 1.060 1.00 91.05 8 A 1 ATOM 75 N N . LEU A 1 9 ? -2.191 -3.454 4.296 1.00 95.84 9 A 1 ATOM 76 C CA . LEU A 1 9 ? -1.865 -2.498 5.353 1.00 95.35 9 A 1 ATOM 77 C C . LEU A 1 9 ? -0.531 -1.817 5.072 1.00 95.56 9 A 1 ATOM 78 O O . LEU A 1 9 ? -0.401 -0.602 5.226 1.00 95.16 9 A 1 ATOM 79 C CB . LEU A 1 9 ? -1.816 -3.214 6.701 1.00 94.97 9 A 1 ATOM 80 C CG . LEU A 1 9 ? -1.682 -2.269 7.896 1.00 91.12 9 A 1 ATOM 81 C CD1 . LEU A 1 9 ? -2.957 -1.457 8.084 1.00 88.76 9 A 1 ATOM 82 C CD2 . LEU A 1 9 ? -1.369 -3.051 9.158 1.00 87.92 9 A 1 ATOM 83 N N . ALA A 1 10 ? 0.449 -2.605 4.679 1.00 95.68 10 A 1 ATOM 84 C CA . ALA A 1 10 ? 1.776 -2.072 4.376 1.00 95.55 10 A 1 ATOM 85 C C . ALA A 1 10 ? 1.715 -1.123 3.183 1.00 96.05 10 A 1 ATOM 86 O O . ALA A 1 10 ? 2.302 -0.041 3.207 1.00 95.32 10 A 1 ATOM 87 C CB . ALA A 1 10 ? 2.742 -3.219 4.096 1.00 94.95 10 A 1 ATOM 88 N N . PHE A 1 11 ? 0.990 -1.532 2.162 1.00 94.64 11 A 1 ATOM 89 C CA . PHE A 1 11 ? 0.850 -0.712 0.960 1.00 94.13 11 A 1 ATOM 90 C C . PHE A 1 11 ? 0.085 0.570 1.271 1.00 94.87 11 A 1 ATOM 91 O O . PHE A 1 11 ? 0.461 1.655 0.827 1.00 94.26 11 A 1 ATOM 92 C CB . PHE A 1 11 ? 0.124 -1.510 -0.122 1.00 93.59 11 A 1 ATOM 93 C CG . PHE A 1 11 ? 0.477 -1.044 -1.514 1.00 91.65 11 A 1 ATOM 94 C CD1 . PHE A 1 11 ? 1.747 -1.257 -2.029 1.00 89.02 11 A 1 ATOM 95 C CD2 . PHE A 1 11 ? -0.463 -0.398 -2.296 1.00 89.10 11 A 1 ATOM 96 C CE1 . PHE A 1 11 ? 2.077 -0.830 -3.308 1.00 87.18 11 A 1 ATOM 97 C CE2 . PHE A 1 11 ? -0.141 0.035 -3.578 1.00 87.00 11 A 1 ATOM 98 C CZ . PHE A 1 11 ? 1.132 -0.181 -4.085 1.00 86.73 11 A 1 ATOM 99 N N . ALA A 1 12 ? -0.970 0.434 2.033 1.00 95.53 12 A 1 ATOM 100 C CA . ALA A 1 12 ? -1.779 1.593 2.416 1.00 95.43 12 A 1 ATOM 101 C C . ALA A 1 12 ? -0.961 2.563 3.260 1.00 95.96 12 A 1 ATOM 102 O O . ALA A 1 12 ? -1.047 3.778 3.084 1.00 95.29 12 A 1 ATOM 103 C CB . ALA A 1 12 ? -3.003 1.126 3.196 1.00 95.06 12 A 1 ATOM 104 N N . ALA A 1 13 ? -0.180 2.017 4.175 1.00 95.78 13 A 1 ATOM 105 C CA . ALA A 1 13 ? 0.664 2.839 5.039 1.00 95.42 13 A 1 ATOM 106 C C . ALA A 1 13 ? 1.696 3.597 4.214 1.00 96.06 13 A 1 ATOM 107 O O . ALA A 1 13 ? 1.941 4.780 4.449 1.00 94.83 13 A 1 ATOM 108 C CB . ALA A 1 13 ? 1.360 1.959 6.071 1.00 94.84 13 A 1 ATOM 109 N N . LEU A 1 14 ? 2.287 2.910 3.255 1.00 94.83 14 A 1 ATOM 110 C CA . LEU A 1 14 ? 3.284 3.529 2.386 1.00 94.45 14 A 1 ATOM 111 C C . LEU A 1 14 ? 2.644 4.628 1.547 1.00 94.66 14 A 1 ATOM 112 O O . LEU A 1 14 ? 3.223 5.702 1.366 1.00 93.71 14 A 1 ATOM 113 C CB . LEU A 1 14 ? 3.907 2.468 1.477 1.00 94.20 14 A 1 ATOM 114 C CG . LEU A 1 14 ? 4.987 1.634 2.152 1.00 90.05 14 A 1 ATOM 115 C CD1 . LEU A 1 14 ? 5.242 0.358 1.373 1.00 87.57 14 A 1 ATOM 116 C CD2 . LEU A 1 14 ? 6.278 2.440 2.270 1.00 86.77 14 A 1 ATOM 117 N N . LEU A 1 15 ? 1.469 4.356 1.050 1.00 94.69 15 A 1 ATOM 118 C CA . LEU A 1 15 ? 0.743 5.329 0.236 1.00 93.54 15 A 1 ATOM 119 C C . LEU A 1 15 ? 0.397 6.564 1.063 1.00 93.67 15 A 1 ATOM 120 O O . LEU A 1 15 ? 0.523 7.695 0.595 1.00 93.05 15 A 1 ATOM 121 C CB . LEU A 1 15 ? -0.531 4.686 -0.315 1.00 92.70 15 A 1 ATOM 122 C CG . LEU A 1 15 ? -1.158 5.460 -1.473 1.00 88.31 15 A 1 ATOM 123 C CD1 . LEU A 1 15 ? -0.359 5.259 -2.750 1.00 86.28 15 A 1 ATOM 124 C CD2 . LEU A 1 15 ? -2.595 5.026 -1.679 1.00 85.89 15 A 1 ATOM 125 N N . ALA A 1 16 ? -0.032 6.344 2.281 1.00 94.50 16 A 1 ATOM 126 C CA . ALA A 1 16 ? -0.390 7.442 3.176 1.00 93.94 16 A 1 ATOM 127 C C . ALA A 1 16 ? 0.843 8.257 3.555 1.00 94.51 16 A 1 ATOM 128 O O . ALA A 1 16 ? 0.794 9.485 3.605 1.00 92.59 16 A 1 ATOM 129 C CB . ALA A 1 16 ? -1.058 6.889 4.429 1.00 92.72 16 A 1 ATOM 130 N N . LEU A 1 17 ? 1.934 7.565 3.819 1.00 93.73 17 A 1 ATOM 131 C CA . LEU A 1 17 ? 3.184 8.231 4.186 1.00 92.82 17 A 1 ATOM 132 C C . LEU A 1 17 ? 3.721 9.046 3.021 1.00 93.00 17 A 1 ATOM 133 O O . LEU A 1 17 ? 4.255 10.142 3.212 1.00 90.25 17 A 1 ATOM 134 C CB . LEU A 1 17 ? 4.213 7.186 4.619 1.00 91.34 17 A 1 ATOM 135 C CG . LEU A 1 17 ? 4.161 6.858 6.108 1.00 87.29 17 A 1 ATOM 136 C CD1 . LEU A 1 17 ? 4.772 5.497 6.386 1.00 83.18 17 A 1 ATOM 137 C CD2 . LEU A 1 17 ? 4.893 7.928 6.904 1.00 81.26 17 A 1 ATOM 138 N N . SER A 1 18 ? 3.564 8.515 1.828 1.00 93.57 18 A 1 ATOM 139 C CA . SER A 1 18 ? 4.036 9.179 0.618 1.00 92.77 18 A 1 ATOM 140 C C . SER A 1 18 ? 3.054 10.248 0.146 1.00 92.82 18 A 1 ATOM 141 O O . SER A 1 18 ? 3.104 10.677 -1.001 1.00 88.63 18 A 1 ATOM 142 C CB . SER A 1 18 ? 4.253 8.148 -0.488 1.00 90.18 18 A 1 ATOM 143 O OG . SER A 1 18 ? 4.902 8.735 -1.587 1.00 79.94 18 A 1 ATOM 144 N N . SER A 1 19 ? 2.189 10.687 1.021 1.00 90.96 19 A 1 ATOM 145 C CA . SER A 1 19 ? 1.167 11.684 0.701 1.00 90.19 19 A 1 ATOM 146 C C . SER A 1 19 ? 1.701 12.714 -0.291 1.00 90.58 19 A 1 ATOM 147 O O . SER A 1 19 ? 2.767 13.298 -0.074 1.00 86.40 19 A 1 ATOM 148 C CB . SER A 1 19 ? 0.700 12.384 1.972 1.00 86.24 19 A 1 ATOM 149 O OG . SER A 1 19 ? 1.771 13.042 2.609 1.00 75.03 19 A 1 ATOM 150 N N . PRO A 1 20 ? 0.976 12.943 -1.383 1.00 91.16 20 A 1 ATOM 151 C CA . PRO A 1 20 ? 1.391 13.890 -2.416 1.00 90.16 20 A 1 ATOM 152 C C . PRO A 1 20 ? 1.433 15.320 -1.889 1.00 89.94 20 A 1 ATOM 153 O O . PRO A 1 20 ? 0.852 15.634 -0.853 1.00 84.93 20 A 1 ATOM 154 C CB . PRO A 1 20 ? 0.324 13.729 -3.497 1.00 87.31 20 A 1 ATOM 155 C CG . PRO A 1 20 ? -0.862 13.178 -2.792 1.00 85.25 20 A 1 ATOM 156 C CD . PRO A 1 20 ? -0.320 12.334 -1.668 1.00 88.98 20 A 1 ATOM 157 N N . VAL A 1 21 ? 2.110 16.180 -2.617 1.00 88.96 21 A 1 ATOM 158 C CA . VAL A 1 21 ? 2.221 17.579 -2.204 1.00 87.87 21 A 1 ATOM 159 C C . VAL A 1 21 ? 0.931 18.337 -2.486 1.00 88.60 21 A 1 ATOM 160 O O . VAL A 1 21 ? 0.418 19.053 -1.625 1.00 84.47 21 A 1 ATOM 161 C CB . VAL A 1 21 ? 3.384 18.260 -2.930 1.00 84.29 21 A 1 ATOM 162 C CG1 . VAL A 1 21 ? 3.556 19.677 -2.417 1.00 76.56 21 A 1 ATOM 163 C CG2 . VAL A 1 21 ? 4.666 17.472 -2.741 1.00 78.32 21 A 1 ATOM 164 N N . LEU A 1 22 ? 0.436 18.178 -3.703 1.00 87.65 22 A 1 ATOM 165 C CA . LEU A 1 22 ? -0.796 18.859 -4.107 1.00 86.21 22 A 1 ATOM 166 C C . LEU A 1 22 ? -2.033 18.087 -3.682 1.00 87.19 22 A 1 ATOM 167 O O . LEU A 1 22 ? -2.810 18.542 -2.849 1.00 83.24 22 A 1 ATOM 168 C CB . LEU A 1 22 ? -0.792 19.055 -5.624 1.00 83.68 22 A 1 ATOM 169 C CG . LEU A 1 22 ? -1.272 20.432 -6.054 1.00 78.74 22 A 1 ATOM 170 C CD1 . LEU A 1 22 ? -0.721 20.777 -7.422 1.00 73.90 22 A 1 ATOM 171 C CD2 . LEU A 1 22 ? -2.786 20.483 -6.071 1.00 69.66 22 A 1 ATOM 172 N N . ALA A 1 23 ? -2.197 16.917 -4.271 1.00 81.96 23 A 1 ATOM 173 C CA . ALA A 1 23 ? -3.347 16.077 -3.961 1.00 80.14 23 A 1 ATOM 174 C C . ALA A 1 23 ? -3.355 15.696 -2.480 1.00 77.12 23 A 1 ATOM 175 O O . ALA A 1 23 ? -2.284 15.599 -1.878 1.00 73.24 23 A 1 ATOM 176 C CB . ALA A 1 23 ? -3.344 14.833 -4.830 1.00 75.02 23 A 1 ATOM 177 O OXT . ALA A 1 23 ? -4.426 15.459 -1.923 1.00 70.05 23 A 1 #