# 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_spkb08102 # _entry.id spkb08102 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 ALA 2 1 n ARG 3 1 n PRO 4 1 n ARG 5 1 n ARG 6 1 n ALA 7 1 n ARG 8 1 n GLU 9 1 n PRO 10 1 n LEU 11 1 n LEU 12 1 n VAL 13 1 n ALA 14 1 n LEU 15 1 n LEU 16 1 n PRO 17 1 n LEU 18 1 n ALA 19 1 n TRP 20 1 n LEU 21 1 n ALA 22 1 n GLN 23 1 n ALA 24 # _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 06:13:29)" _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 89.89 _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 79.48 1 1 A ALA 2 2 87.16 1 2 A ARG 3 2 79.46 1 3 A PRO 4 2 89.71 1 4 A ARG 5 2 81.10 1 5 A ARG 6 2 81.24 1 6 A ALA 7 2 93.07 1 7 A ARG 8 2 84.82 1 8 A GLU 9 2 89.62 1 9 A PRO 10 2 94.47 1 10 A LEU 11 2 93.63 1 11 A LEU 12 2 93.65 1 12 A VAL 13 2 94.92 1 13 A ALA 14 2 96.02 1 14 A LEU 15 2 94.93 1 15 A LEU 16 2 94.54 1 16 A PRO 17 2 96.59 1 17 A LEU 18 2 94.87 1 18 A ALA 19 2 97.36 1 19 A TRP 20 2 92.76 1 20 A LEU 21 2 94.87 1 21 A ALA 22 2 96.33 1 22 A GLN 23 2 89.09 1 23 A ALA 24 2 87.15 1 24 # _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 ALA . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n GLU . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n TRP . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n GLN . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? -20.548 -2.702 8.647 1.00 84.67 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.331 -1.974 8.252 1.00 85.50 1 A 1 ATOM 3 C C . MET A 1 1 ? -18.796 -2.479 6.915 1.00 85.92 1 A 1 ATOM 4 O O . MET A 1 1 ? -18.635 -3.680 6.719 1.00 81.20 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.248 -2.141 9.309 1.00 81.43 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.871 -3.601 9.551 1.00 76.94 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.648 -3.807 10.833 1.00 74.71 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.635 -3.456 12.273 1.00 65.44 1 A 1 ATOM 9 N N . ALA A 1 2 ? -18.531 -1.567 5.990 1.00 86.84 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -18.026 -1.926 4.668 1.00 87.98 2 A 1 ATOM 11 C C . ALA A 1 2 ? -16.829 -1.051 4.311 1.00 89.55 2 A 1 ATOM 12 O O . ALA A 1 2 ? -16.986 0.113 3.946 1.00 86.49 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -19.126 -1.764 3.634 1.00 84.93 2 A 1 ATOM 14 N N . ARG A 1 3 ? -15.626 -1.630 4.413 1.00 89.45 3 A 1 ATOM 15 C CA . ARG A 1 3 ? -14.404 -0.898 4.098 1.00 90.19 3 A 1 ATOM 16 C C . ARG A 1 3 ? -13.976 -1.149 2.656 1.00 91.74 3 A 1 ATOM 17 O O . ARG A 1 3 ? -13.747 -2.295 2.277 1.00 89.97 3 A 1 ATOM 18 C CB . ARG A 1 3 ? -13.286 -1.315 5.053 1.00 86.70 3 A 1 ATOM 19 C CG . ARG A 1 3 ? -13.639 -1.058 6.507 1.00 78.25 3 A 1 ATOM 20 C CD . ARG A 1 3 ? -12.553 -1.573 7.430 1.00 76.97 3 A 1 ATOM 21 N NE . ARG A 1 3 ? -11.315 -0.813 7.294 1.00 72.73 3 A 1 ATOM 22 C CZ . ARG A 1 3 ? -10.219 -1.046 8.009 1.00 68.84 3 A 1 ATOM 23 N NH1 . ARG A 1 3 ? -10.192 -2.011 8.901 1.00 64.15 3 A 1 ATOM 24 N NH2 . ARG A 1 3 ? -9.139 -0.301 7.823 1.00 65.12 3 A 1 ATOM 25 N N . PRO A 1 4 ? -13.841 -0.085 1.840 1.00 91.31 4 A 1 ATOM 26 C CA . PRO A 1 4 ? -13.457 -0.199 0.428 1.00 91.50 4 A 1 ATOM 27 C C . PRO A 1 4 ? -11.962 -0.482 0.262 1.00 92.39 4 A 1 ATOM 28 O O . PRO A 1 4 ? -11.216 0.332 -0.292 1.00 89.41 4 A 1 ATOM 29 C CB . PRO A 1 4 ? -13.837 1.169 -0.152 1.00 88.70 4 A 1 ATOM 30 C CG . PRO A 1 4 ? -13.699 2.107 1.002 1.00 85.33 4 A 1 ATOM 31 C CD . PRO A 1 4 ? -14.103 1.301 2.226 1.00 89.30 4 A 1 ATOM 32 N N . ARG A 1 5 ? -11.512 -1.647 0.750 1.00 90.80 5 A 1 ATOM 33 C CA . ARG A 1 5 ? -10.099 -2.017 0.672 1.00 90.95 5 A 1 ATOM 34 C C . ARG A 1 5 ? -9.675 -2.320 -0.758 1.00 92.86 5 A 1 ATOM 35 O O . ARG A 1 5 ? -8.525 -2.079 -1.132 1.00 91.48 5 A 1 ATOM 36 C CB . ARG A 1 5 ? -9.830 -3.228 1.562 1.00 88.46 5 A 1 ATOM 37 C CG . ARG A 1 5 ? -8.342 -3.576 1.660 1.00 81.36 5 A 1 ATOM 38 C CD . ARG A 1 5 ? -7.540 -2.438 2.246 1.00 78.40 5 A 1 ATOM 39 N NE . ARG A 1 5 ? -6.115 -2.768 2.369 1.00 74.38 5 A 1 ATOM 40 C CZ . ARG A 1 5 ? -5.601 -3.425 3.392 1.00 70.84 5 A 1 ATOM 41 N NH1 . ARG A 1 5 ? -6.363 -3.838 4.386 1.00 66.10 5 A 1 ATOM 42 N NH2 . ARG A 1 5 ? -4.302 -3.688 3.413 1.00 66.47 5 A 1 ATOM 43 N N . ARG A 1 6 ? -10.610 -2.848 -1.561 1.00 90.80 6 A 1 ATOM 44 C CA . ARG A 1 6 ? -10.313 -3.181 -2.955 1.00 91.84 6 A 1 ATOM 45 C C . ARG A 1 6 ? -9.895 -1.949 -3.752 1.00 93.41 6 A 1 ATOM 46 O O . ARG A 1 6 ? -9.102 -2.053 -4.691 1.00 91.99 6 A 1 ATOM 47 C CB . ARG A 1 6 ? -11.530 -3.824 -3.616 1.00 89.53 6 A 1 ATOM 48 C CG . ARG A 1 6 ? -11.835 -5.219 -3.094 1.00 80.79 6 A 1 ATOM 49 C CD . ARG A 1 6 ? -10.722 -6.187 -3.465 1.00 78.15 6 A 1 ATOM 50 N NE . ARG A 1 6 ? -11.025 -7.564 -3.096 1.00 73.82 6 A 1 ATOM 51 C CZ . ARG A 1 6 ? -10.183 -8.575 -3.255 1.00 70.94 6 A 1 ATOM 52 N NH1 . ARG A 1 6 ? -8.981 -8.372 -3.752 1.00 65.59 6 A 1 ATOM 53 N NH2 . ARG A 1 6 ? -10.544 -9.792 -2.910 1.00 66.76 6 A 1 ATOM 54 N N . ALA A 1 7 ? -10.430 -0.787 -3.404 1.00 93.27 7 A 1 ATOM 55 C CA . ALA A 1 7 ? -10.113 0.453 -4.110 1.00 93.19 7 A 1 ATOM 56 C C . ALA A 1 7 ? -8.770 1.026 -3.659 1.00 94.33 7 A 1 ATOM 57 O O . ALA A 1 7 ? -8.089 1.704 -4.427 1.00 92.86 7 A 1 ATOM 58 C CB . ALA A 1 7 ? -11.218 1.474 -3.893 1.00 91.69 7 A 1 ATOM 59 N N . ARG A 1 8 ? -8.389 0.733 -2.408 1.00 93.21 8 A 1 ATOM 60 C CA . ARG A 1 8 ? -7.146 1.260 -1.860 1.00 94.13 8 A 1 ATOM 61 C C . ARG A 1 8 ? -5.981 0.290 -2.007 1.00 95.52 8 A 1 ATOM 62 O O . ARG A 1 8 ? -4.820 0.706 -1.934 1.00 94.64 8 A 1 ATOM 63 C CB . ARG A 1 8 ? -7.340 1.626 -0.387 1.00 92.77 8 A 1 ATOM 64 C CG . ARG A 1 8 ? -8.391 2.701 -0.182 1.00 86.85 8 A 1 ATOM 65 C CD . ARG A 1 8 ? -8.497 3.088 1.283 1.00 82.81 8 A 1 ATOM 66 N NE . ARG A 1 8 ? -7.275 3.759 1.735 1.00 78.36 8 A 1 ATOM 67 C CZ . ARG A 1 8 ? -7.111 4.260 2.955 1.00 75.30 8 A 1 ATOM 68 N NH1 . ARG A 1 8 ? -8.073 4.178 3.853 1.00 69.93 8 A 1 ATOM 69 N NH2 . ARG A 1 8 ? -5.972 4.854 3.281 1.00 69.55 8 A 1 ATOM 70 N N . GLU A 1 9 ? -6.262 -0.978 -2.216 1.00 94.87 9 A 1 ATOM 71 C CA . GLU A 1 9 ? -5.219 -1.994 -2.375 1.00 95.54 9 A 1 ATOM 72 C C . GLU A 1 9 ? -4.200 -1.634 -3.461 1.00 96.38 9 A 1 ATOM 73 O O . GLU A 1 9 ? -2.992 -1.636 -3.193 1.00 96.12 9 A 1 ATOM 74 C CB . GLU A 1 9 ? -5.840 -3.356 -2.684 1.00 94.66 9 A 1 ATOM 75 C CG . GLU A 1 9 ? -6.267 -4.110 -1.442 1.00 86.98 9 A 1 ATOM 76 C CD . GLU A 1 9 ? -6.758 -5.497 -1.779 1.00 83.71 9 A 1 ATOM 77 O OE1 . GLU A 1 9 ? -7.728 -5.601 -2.543 1.00 78.25 9 A 1 ATOM 78 O OE2 . GLU A 1 9 ? -6.160 -6.467 -1.299 1.00 80.08 9 A 1 ATOM 79 N N . PRO A 1 10 ? -4.650 -1.326 -4.695 1.00 95.38 10 A 1 ATOM 80 C CA . PRO A 1 10 ? -3.705 -0.983 -5.771 1.00 95.41 10 A 1 ATOM 81 C C . PRO A 1 10 ? -2.878 0.254 -5.445 1.00 96.44 10 A 1 ATOM 82 O O . PRO A 1 10 ? -1.702 0.335 -5.804 1.00 95.02 10 A 1 ATOM 83 C CB . PRO A 1 10 ? -4.607 -0.745 -6.993 1.00 93.48 10 A 1 ATOM 84 C CG . PRO A 1 10 ? -5.949 -0.440 -6.416 1.00 91.44 10 A 1 ATOM 85 C CD . PRO A 1 10 ? -6.034 -1.251 -5.155 1.00 94.11 10 A 1 ATOM 86 N N . LEU A 1 11 ? -3.475 1.205 -4.756 1.00 95.57 11 A 1 ATOM 87 C CA . LEU A 1 11 ? -2.776 2.426 -4.379 1.00 95.98 11 A 1 ATOM 88 C C . LEU A 1 11 ? -1.687 2.120 -3.354 1.00 96.63 11 A 1 ATOM 89 O O . LEU A 1 11 ? -0.583 2.658 -3.431 1.00 96.12 11 A 1 ATOM 90 C CB . LEU A 1 11 ? -3.762 3.448 -3.811 1.00 95.94 11 A 1 ATOM 91 C CG . LEU A 1 11 ? -4.796 3.960 -4.814 1.00 92.57 11 A 1 ATOM 92 C CD1 . LEU A 1 11 ? -5.810 4.851 -4.114 1.00 88.20 11 A 1 ATOM 93 C CD2 . LEU A 1 11 ? -4.115 4.728 -5.942 1.00 88.03 11 A 1 ATOM 94 N N . LEU A 1 12 ? -1.986 1.242 -2.409 1.00 95.57 12 A 1 ATOM 95 C CA . LEU A 1 12 ? -1.020 0.855 -1.385 1.00 95.63 12 A 1 ATOM 96 C C . LEU A 1 12 ? 0.152 0.104 -2.006 1.00 96.39 12 A 1 ATOM 97 O O . LEU A 1 12 ? 1.302 0.297 -1.606 1.00 96.00 12 A 1 ATOM 98 C CB . LEU A 1 12 ? -1.697 -0.015 -0.329 1.00 95.50 12 A 1 ATOM 99 C CG . LEU A 1 12 ? -2.714 0.730 0.529 1.00 92.09 12 A 1 ATOM 100 C CD1 . LEU A 1 12 ? -3.472 -0.253 1.416 1.00 88.93 12 A 1 ATOM 101 C CD2 . LEU A 1 12 ? -2.014 1.775 1.389 1.00 89.05 12 A 1 ATOM 102 N N . VAL A 1 13 ? -0.131 -0.731 -2.993 1.00 96.17 13 A 1 ATOM 103 C CA . VAL A 1 13 ? 0.909 -1.487 -3.686 1.00 96.04 13 A 1 ATOM 104 C C . VAL A 1 13 ? 1.843 -0.538 -4.435 1.00 96.77 13 A 1 ATOM 105 O O . VAL A 1 13 ? 3.055 -0.761 -4.494 1.00 96.27 13 A 1 ATOM 106 C CB . VAL A 1 13 ? 0.291 -2.497 -4.667 1.00 95.04 13 A 1 ATOM 107 C CG1 . VAL A 1 13 ? 1.377 -3.191 -5.484 1.00 91.89 13 A 1 ATOM 108 C CG2 . VAL A 1 13 ? -0.527 -3.524 -3.910 1.00 92.24 13 A 1 ATOM 109 N N . ALA A 1 14 ? 1.284 0.513 -5.005 1.00 96.03 14 A 1 ATOM 110 C CA . ALA A 1 14 ? 2.076 1.499 -5.735 1.00 96.11 14 A 1 ATOM 111 C C . ALA A 1 14 ? 2.908 2.353 -4.779 1.00 96.82 14 A 1 ATOM 112 O O . ALA A 1 14 ? 4.011 2.784 -5.113 1.00 95.73 14 A 1 ATOM 113 C CB . ALA A 1 14 ? 1.159 2.386 -6.569 1.00 95.43 14 A 1 ATOM 114 N N . LEU A 1 15 ? 2.381 2.584 -3.594 1.00 96.56 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 3.074 3.387 -2.595 1.00 96.42 15 A 1 ATOM 116 C C . LEU A 1 15 ? 4.209 2.607 -1.945 1.00 96.83 15 A 1 ATOM 117 O O . LEU A 1 15 ? 5.177 3.203 -1.469 1.00 96.22 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 2.088 3.854 -1.522 1.00 96.10 15 A 1 ATOM 119 C CG . LEU A 1 15 ? 1.059 4.877 -2.005 1.00 94.43 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? -0.001 5.106 -0.932 1.00 91.67 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? 1.741 6.193 -2.360 1.00 91.19 15 A 1 ATOM 122 N N . LEU A 1 16 ? 4.103 1.283 -1.932 1.00 96.71 16 A 1 ATOM 123 C CA . LEU A 1 16 ? 5.127 0.427 -1.340 1.00 96.27 16 A 1 ATOM 124 C C . LEU A 1 16 ? 6.512 0.667 -1.947 1.00 96.77 16 A 1 ATOM 125 O O . LEU A 1 16 ? 7.461 0.956 -1.208 1.00 96.50 16 A 1 ATOM 126 C CB . LEU A 1 16 ? 4.723 -1.042 -1.479 1.00 95.85 16 A 1 ATOM 127 C CG . LEU A 1 16 ? 5.688 -2.026 -0.831 1.00 93.37 16 A 1 ATOM 128 C CD1 . LEU A 1 16 ? 5.716 -1.850 0.679 1.00 90.54 16 A 1 ATOM 129 C CD2 . LEU A 1 16 ? 5.294 -3.448 -1.194 1.00 90.32 16 A 1 ATOM 130 N N . PRO A 1 17 ? 6.676 0.543 -3.273 1.00 97.20 17 A 1 ATOM 131 C CA . PRO A 1 17 ? 7.989 0.767 -3.893 1.00 96.92 17 A 1 ATOM 132 C C . PRO A 1 17 ? 8.457 2.205 -3.758 1.00 97.32 17 A 1 ATOM 133 O O . PRO A 1 17 ? 9.652 2.461 -3.599 1.00 96.54 17 A 1 ATOM 134 C CB . PRO A 1 17 ? 7.767 0.393 -5.364 1.00 96.04 17 A 1 ATOM 135 C CG . PRO A 1 17 ? 6.304 0.558 -5.570 1.00 95.41 17 A 1 ATOM 136 C CD . PRO A 1 17 ? 5.670 0.177 -4.259 1.00 96.70 17 A 1 ATOM 137 N N . LEU A 1 18 ? 7.534 3.145 -3.810 1.00 96.95 18 A 1 ATOM 138 C CA . LEU A 1 18 ? 7.876 4.555 -3.669 1.00 96.79 18 A 1 ATOM 139 C C . LEU A 1 18 ? 8.417 4.828 -2.272 1.00 97.25 18 A 1 ATOM 140 O O . LEU A 1 18 ? 9.402 5.555 -2.109 1.00 96.90 18 A 1 ATOM 141 C CB . LEU A 1 18 ? 6.642 5.423 -3.930 1.00 96.32 18 A 1 ATOM 142 C CG . LEU A 1 18 ? 6.144 5.399 -5.376 1.00 92.91 18 A 1 ATOM 143 C CD1 . LEU A 1 18 ? 4.832 6.159 -5.492 1.00 91.01 18 A 1 ATOM 144 C CD2 . LEU A 1 18 ? 7.186 6.002 -6.309 1.00 90.84 18 A 1 ATOM 145 N N . ALA A 1 19 ? 7.781 4.237 -1.274 1.00 97.69 19 A 1 ATOM 146 C CA . ALA A 1 19 ? 8.225 4.399 0.105 1.00 97.41 19 A 1 ATOM 147 C C . ALA A 1 19 ? 9.583 3.738 0.309 1.00 97.63 19 A 1 ATOM 148 O O . ALA A 1 19 ? 10.433 4.260 1.030 1.00 96.95 19 A 1 ATOM 149 C CB . ALA A 1 19 ? 7.194 3.807 1.054 1.00 97.10 19 A 1 ATOM 150 N N . TRP A 1 20 ? 9.805 2.583 -0.346 1.00 96.85 20 A 1 ATOM 151 C CA . TRP A 1 20 ? 11.077 1.873 -0.245 1.00 96.58 20 A 1 ATOM 152 C C . TRP A 1 20 ? 12.209 2.718 -0.819 1.00 97.32 20 A 1 ATOM 153 O O . TRP A 1 20 ? 13.279 2.827 -0.216 1.00 96.84 20 A 1 ATOM 154 C CB . TRP A 1 20 ? 10.995 0.538 -0.987 1.00 96.09 20 A 1 ATOM 155 C CG . TRP A 1 20 ? 12.236 -0.278 -0.844 1.00 93.89 20 A 1 ATOM 156 C CD1 . TRP A 1 20 ? 12.565 -1.061 0.222 1.00 90.43 20 A 1 ATOM 157 C CD2 . TRP A 1 20 ? 13.334 -0.384 -1.771 1.00 93.04 20 A 1 ATOM 158 N NE1 . TRP A 1 20 ? 13.794 -1.651 0.011 1.00 90.24 20 A 1 ATOM 159 C CE2 . TRP A 1 20 ? 14.296 -1.256 -1.206 1.00 92.20 20 A 1 ATOM 160 C CE3 . TRP A 1 20 ? 13.597 0.171 -3.029 1.00 90.36 20 A 1 ATOM 161 C CZ2 . TRP A 1 20 ? 15.488 -1.572 -1.859 1.00 90.06 20 A 1 ATOM 162 C CZ3 . TRP A 1 20 ? 14.788 -0.144 -3.676 1.00 87.30 20 A 1 ATOM 163 C CH2 . TRP A 1 20 ? 15.719 -1.011 -3.091 1.00 87.42 20 A 1 ATOM 164 N N . LEU A 1 21 ? 11.979 3.334 -1.967 1.00 96.97 21 A 1 ATOM 165 C CA . LEU A 1 21 ? 12.980 4.188 -2.595 1.00 96.86 21 A 1 ATOM 166 C C . LEU A 1 21 ? 13.259 5.419 -1.745 1.00 97.18 21 A 1 ATOM 167 O O . LEU A 1 21 ? 14.386 5.915 -1.706 1.00 96.99 21 A 1 ATOM 168 C CB . LEU A 1 21 ? 12.504 4.620 -3.982 1.00 96.67 21 A 1 ATOM 169 C CG . LEU A 1 21 ? 12.469 3.494 -5.009 1.00 93.81 21 A 1 ATOM 170 C CD1 . LEU A 1 21 ? 11.796 3.967 -6.288 1.00 90.36 21 A 1 ATOM 171 C CD2 . LEU A 1 21 ? 13.879 3.002 -5.311 1.00 90.09 21 A 1 ATOM 172 N N . ALA A 1 22 ? 12.239 5.919 -1.074 1.00 96.84 22 A 1 ATOM 173 C CA . ALA A 1 22 ? 12.387 7.084 -0.209 1.00 96.56 22 A 1 ATOM 174 C C . ALA A 1 22 ? 13.198 6.744 1.037 1.00 96.68 22 A 1 ATOM 175 O O . ALA A 1 22 ? 13.893 7.601 1.585 1.00 95.48 22 A 1 ATOM 176 C CB . ALA A 1 22 ? 11.016 7.618 0.190 1.00 96.07 22 A 1 ATOM 177 N N . GLN A 1 23 ? 13.102 5.477 1.485 1.00 95.71 23 A 1 ATOM 178 C CA . GLN A 1 23 ? 13.828 5.034 2.666 1.00 94.55 23 A 1 ATOM 179 C C . GLN A 1 23 ? 15.237 4.580 2.312 1.00 94.70 23 A 1 ATOM 180 O O . GLN A 1 23 ? 16.154 4.691 3.129 1.00 92.58 23 A 1 ATOM 181 C CB . GLN A 1 23 ? 13.074 3.890 3.354 1.00 92.99 23 A 1 ATOM 182 C CG . GLN A 1 23 ? 11.717 4.309 3.905 1.00 88.55 23 A 1 ATOM 183 C CD . GLN A 1 23 ? 11.849 5.380 4.984 1.00 85.98 23 A 1 ATOM 184 O OE1 . GLN A 1 23 ? 12.532 5.181 5.980 1.00 78.87 23 A 1 ATOM 185 N NE2 . GLN A 1 23 ? 11.201 6.515 4.791 1.00 77.86 23 A 1 ATOM 186 N N . ALA A 1 24 ? 15.425 4.083 1.106 1.00 93.50 24 A 1 ATOM 187 C CA . ALA A 1 24 ? 16.718 3.583 0.647 1.00 91.03 24 A 1 ATOM 188 C C . ALA A 1 24 ? 17.557 4.723 0.071 1.00 87.80 24 A 1 ATOM 189 O O . ALA A 1 24 ? 18.535 5.135 0.713 1.00 83.78 24 A 1 ATOM 190 C CB . ALA A 1 24 ? 16.517 2.477 -0.382 1.00 87.54 24 A 1 ATOM 191 O OXT . ALA A 1 24 ? 17.234 5.196 -1.017 1.00 79.25 24 A 1 #