# 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_spkb28946 # _entry.id spkb28946 # 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" "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" "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" "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 ARG 2 1 n PRO 3 1 n ARG 4 1 n ALA 5 1 n PRO 6 1 n GLY 7 1 n PRO 8 1 n LEU 9 1 n TRP 10 1 n PRO 11 1 n LEU 12 1 n PRO 13 1 n TRP 14 1 n GLY 15 1 n ALA 16 1 n LEU 17 1 n ALA 18 1 n TRP 19 1 n ALA 20 1 n VAL 21 1 n GLY 22 1 n PHE 23 1 n VAL 24 1 n GLY 25 1 n SER 26 # _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 @ 2025-07-03 00:14:54)" _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 88.65 _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 77.80 1 1 A ARG 2 2 75.03 1 2 A PRO 3 2 82.42 1 3 A ARG 4 2 78.00 1 4 A ALA 5 2 85.51 1 5 A PRO 6 2 86.05 1 6 A GLY 7 2 89.39 1 7 A PRO 8 2 89.07 1 8 A LEU 9 2 88.67 1 9 A TRP 10 2 86.12 1 10 A PRO 11 2 90.48 1 11 A LEU 12 2 89.67 1 12 A PRO 13 2 92.47 1 13 A TRP 14 2 89.19 1 14 A GLY 15 2 94.28 1 15 A ALA 16 2 95.47 1 16 A LEU 17 2 92.65 1 17 A ALA 18 2 96.05 1 18 A TRP 19 2 92.37 1 19 A ALA 20 2 96.46 1 20 A VAL 21 2 95.69 1 21 A GLY 22 2 97.39 1 22 A PHE 23 2 94.64 1 23 A VAL 24 2 94.76 1 24 A GLY 25 2 94.30 1 25 A SER 26 2 84.95 1 26 # _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 PRO . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n TRP . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n TRP . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n TRP . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n PHE . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n SER . 26 A 26 # _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 ? -10.792 -9.869 10.786 1.00 81.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.918 -10.027 12.235 1.00 83.41 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.907 -9.129 12.953 1.00 84.55 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.706 -9.370 12.874 1.00 79.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.682 -11.471 12.642 1.00 79.36 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.924 -11.721 14.126 1.00 76.36 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.749 -13.457 14.555 1.00 72.82 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.102 -13.383 16.305 1.00 64.97 1 A 1 ATOM 9 N N . ARG A 1 2 ? -10.384 -8.120 13.641 1.00 83.48 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -9.522 -7.176 14.377 1.00 84.76 2 A 1 ATOM 11 C C . ARG A 1 2 ? -8.359 -6.679 13.512 1.00 85.75 2 A 1 ATOM 12 O O . ARG A 1 2 ? -7.195 -6.975 13.789 1.00 82.34 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -8.966 -7.854 15.638 1.00 81.08 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -10.052 -8.084 16.680 1.00 75.09 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -9.444 -8.641 17.953 1.00 74.26 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -10.459 -8.801 18.991 1.00 69.43 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -10.212 -9.294 20.194 1.00 65.70 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -8.998 -9.686 20.524 1.00 61.75 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -11.189 -9.400 21.076 1.00 61.67 2 A 1 ATOM 20 N N . PRO A 1 3 ? -8.642 -5.910 12.453 1.00 84.14 3 A 1 ATOM 21 C CA . PRO A 1 3 ? -7.604 -5.381 11.558 1.00 83.76 3 A 1 ATOM 22 C C . PRO A 1 3 ? -6.673 -4.415 12.290 1.00 85.30 3 A 1 ATOM 23 O O . PRO A 1 3 ? -7.123 -3.551 13.035 1.00 81.10 3 A 1 ATOM 24 C CB . PRO A 1 3 ? -8.397 -4.658 10.465 1.00 80.59 3 A 1 ATOM 25 C CG . PRO A 1 3 ? -9.701 -4.311 11.114 1.00 79.10 3 A 1 ATOM 26 C CD . PRO A 1 3 ? -9.976 -5.434 12.090 1.00 82.95 3 A 1 ATOM 27 N N . ARG A 1 4 ? -5.357 -4.553 12.060 1.00 86.47 4 A 1 ATOM 28 C CA . ARG A 1 4 ? -4.369 -3.684 12.703 1.00 87.05 4 A 1 ATOM 29 C C . ARG A 1 4 ? -4.587 -2.229 12.303 1.00 88.27 4 A 1 ATOM 30 O O . ARG A 1 4 ? -4.544 -1.330 13.132 1.00 85.80 4 A 1 ATOM 31 C CB . ARG A 1 4 ? -2.961 -4.126 12.308 1.00 84.20 4 A 1 ATOM 32 C CG . ARG A 1 4 ? -2.632 -5.489 12.848 1.00 77.54 4 A 1 ATOM 33 C CD . ARG A 1 4 ? -1.211 -5.893 12.500 1.00 75.92 4 A 1 ATOM 34 N NE . ARG A 1 4 ? -1.067 -6.145 11.061 1.00 72.30 4 A 1 ATOM 35 C CZ . ARG A 1 4 ? -0.645 -5.248 10.186 1.00 69.74 4 A 1 ATOM 36 N NH1 . ARG A 1 4 ? -0.332 -4.029 10.568 1.00 64.46 4 A 1 ATOM 37 N NH2 . ARG A 1 4 ? -0.541 -5.571 8.914 1.00 66.21 4 A 1 ATOM 38 N N . ALA A 1 5 ? -4.793 -1.988 11.015 1.00 85.84 5 A 1 ATOM 39 C CA . ALA A 1 5 ? -5.018 -0.640 10.501 1.00 85.82 5 A 1 ATOM 40 C C . ALA A 1 5 ? -6.493 -0.244 10.621 1.00 87.35 5 A 1 ATOM 41 O O . ALA A 1 5 ? -7.368 -1.112 10.630 1.00 85.72 5 A 1 ATOM 42 C CB . ALA A 1 5 ? -4.574 -0.563 9.050 1.00 82.81 5 A 1 ATOM 43 N N . PRO A 1 6 ? -6.776 1.068 10.690 1.00 87.73 6 A 1 ATOM 44 C CA . PRO A 1 6 ? -8.155 1.564 10.781 1.00 87.78 6 A 1 ATOM 45 C C . PRO A 1 6 ? -9.003 1.064 9.615 1.00 89.25 6 A 1 ATOM 46 O O . PRO A 1 6 ? -8.491 0.840 8.520 1.00 84.81 6 A 1 ATOM 47 C CB . PRO A 1 6 ? -7.999 3.087 10.728 1.00 84.85 6 A 1 ATOM 48 C CG . PRO A 1 6 ? -6.598 3.335 11.198 1.00 82.09 6 A 1 ATOM 49 C CD . PRO A 1 6 ? -5.796 2.138 10.746 1.00 85.86 6 A 1 ATOM 50 N N . GLY A 1 7 ? -10.294 0.895 9.847 1.00 88.12 7 A 1 ATOM 51 C CA . GLY A 1 7 ? -11.203 0.426 8.801 1.00 88.77 7 A 1 ATOM 52 C C . GLY A 1 7 ? -11.178 1.289 7.551 1.00 90.85 7 A 1 ATOM 53 O O . GLY A 1 7 ? -11.077 0.769 6.439 1.00 89.82 7 A 1 ATOM 54 N N . PRO A 1 8 ? -11.255 2.619 7.696 1.00 89.97 8 A 1 ATOM 55 C CA . PRO A 1 8 ? -11.259 3.535 6.544 1.00 90.48 8 A 1 ATOM 56 C C . PRO A 1 8 ? -9.975 3.479 5.720 1.00 91.97 8 A 1 ATOM 57 O O . PRO A 1 8 ? -10.019 3.613 4.498 1.00 89.20 8 A 1 ATOM 58 C CB . PRO A 1 8 ? -11.427 4.919 7.182 1.00 87.95 8 A 1 ATOM 59 C CG . PRO A 1 8 ? -12.020 4.651 8.527 1.00 85.33 8 A 1 ATOM 60 C CD . PRO A 1 8 ? -11.477 3.316 8.960 1.00 88.59 8 A 1 ATOM 61 N N . LEU A 1 9 ? -8.815 3.284 6.375 1.00 91.06 9 A 1 ATOM 62 C CA . LEU A 1 9 ? -7.522 3.269 5.683 1.00 91.59 9 A 1 ATOM 63 C C . LEU A 1 9 ? -7.070 1.860 5.303 1.00 92.98 9 A 1 ATOM 64 O O . LEU A 1 9 ? -6.084 1.696 4.588 1.00 91.17 9 A 1 ATOM 65 C CB . LEU A 1 9 ? -6.459 3.923 6.573 1.00 90.34 9 A 1 ATOM 66 C CG . LEU A 1 9 ? -6.722 5.405 6.845 1.00 87.41 9 A 1 ATOM 67 C CD1 . LEU A 1 9 ? -5.715 5.935 7.858 1.00 83.40 9 A 1 ATOM 68 C CD2 . LEU A 1 9 ? -6.629 6.210 5.556 1.00 81.42 9 A 1 ATOM 69 N N . TRP A 1 10 ? -7.783 0.836 5.774 1.00 90.63 10 A 1 ATOM 70 C CA . TRP A 1 10 ? -7.415 -0.550 5.478 1.00 90.86 10 A 1 ATOM 71 C C . TRP A 1 10 ? -7.508 -0.881 3.986 1.00 92.75 10 A 1 ATOM 72 O O . TRP A 1 10 ? -6.565 -1.440 3.428 1.00 92.02 10 A 1 ATOM 73 C CB . TRP A 1 10 ? -8.296 -1.511 6.288 1.00 89.14 10 A 1 ATOM 74 C CG . TRP A 1 10 ? -7.508 -2.657 6.835 1.00 86.13 10 A 1 ATOM 75 C CD1 . TRP A 1 10 ? -7.219 -2.886 8.144 1.00 83.64 10 A 1 ATOM 76 C CD2 . TRP A 1 10 ? -6.895 -3.726 6.103 1.00 86.95 10 A 1 ATOM 77 N NE1 . TRP A 1 10 ? -6.468 -4.025 8.271 1.00 82.68 10 A 1 ATOM 78 C CE2 . TRP A 1 10 ? -6.249 -4.569 7.031 1.00 85.23 10 A 1 ATOM 79 C CE3 . TRP A 1 10 ? -6.828 -4.066 4.752 1.00 82.25 10 A 1 ATOM 80 C CZ2 . TRP A 1 10 ? -5.549 -5.714 6.638 1.00 82.37 10 A 1 ATOM 81 C CZ3 . TRP A 1 10 ? -6.129 -5.209 4.359 1.00 80.06 10 A 1 ATOM 82 C CH2 . TRP A 1 10 ? -5.503 -6.015 5.297 1.00 80.93 10 A 1 ATOM 83 N N . PRO A 1 11 ? -8.602 -0.529 3.316 1.00 92.11 11 A 1 ATOM 84 C CA . PRO A 1 11 ? -8.783 -0.848 1.894 1.00 91.95 11 A 1 ATOM 85 C C . PRO A 1 11 ? -7.897 -0.010 0.969 1.00 92.90 11 A 1 ATOM 86 O O . PRO A 1 11 ? -8.294 0.320 -0.147 1.00 90.13 11 A 1 ATOM 87 C CB . PRO A 1 11 ? -10.272 -0.555 1.656 1.00 89.41 11 A 1 ATOM 88 C CG . PRO A 1 11 ? -10.605 0.496 2.664 1.00 86.63 11 A 1 ATOM 89 C CD . PRO A 1 11 ? -9.769 0.142 3.875 1.00 90.26 11 A 1 ATOM 90 N N . LEU A 1 12 ? -6.682 0.317 1.406 1.00 91.98 12 A 1 ATOM 91 C CA . LEU A 1 12 ? -5.759 1.125 0.613 1.00 92.33 12 A 1 ATOM 92 C C . LEU A 1 12 ? -5.202 0.311 -0.560 1.00 93.72 12 A 1 ATOM 93 O O . LEU A 1 12 ? -4.644 -0.767 -0.350 1.00 92.92 12 A 1 ATOM 94 C CB . LEU A 1 12 ? -4.611 1.618 1.499 1.00 90.73 12 A 1 ATOM 95 C CG . LEU A 1 12 ? -3.677 2.596 0.804 1.00 87.32 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? -4.380 3.921 0.550 1.00 84.77 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? -2.439 2.826 1.657 1.00 83.61 12 A 1 ATOM 98 N N . PRO A 1 13 ? -5.328 0.813 -1.800 1.00 93.43 13 A 1 ATOM 99 C CA . PRO A 1 13 ? -4.857 0.122 -3.001 1.00 93.62 13 A 1 ATOM 100 C C . PRO A 1 13 ? -3.337 0.182 -3.160 1.00 94.64 13 A 1 ATOM 101 O O . PRO A 1 13 ? -2.818 0.860 -4.045 1.00 93.41 13 A 1 ATOM 102 C CB . PRO A 1 13 ? -5.556 0.871 -4.135 1.00 91.41 13 A 1 ATOM 103 C CG . PRO A 1 13 ? -5.739 2.258 -3.602 1.00 88.77 13 A 1 ATOM 104 C CD . PRO A 1 13 ? -5.976 2.080 -2.110 1.00 91.98 13 A 1 ATOM 105 N N . TRP A 1 14 ? -2.596 -0.529 -2.297 1.00 92.35 14 A 1 ATOM 106 C CA . TRP A 1 14 ? -1.134 -0.557 -2.360 1.00 92.39 14 A 1 ATOM 107 C C . TRP A 1 14 ? -0.645 -1.235 -3.631 1.00 93.85 14 A 1 ATOM 108 O O . TRP A 1 14 ? 0.419 -0.898 -4.147 1.00 93.16 14 A 1 ATOM 109 C CB . TRP A 1 14 ? -0.565 -1.293 -1.139 1.00 91.07 14 A 1 ATOM 110 C CG . TRP A 1 14 ? -0.217 -0.381 0.007 1.00 89.54 14 A 1 ATOM 111 C CD1 . TRP A 1 14 ? -0.254 -0.704 1.331 1.00 87.85 14 A 1 ATOM 112 C CD2 . TRP A 1 14 ? 0.255 0.974 -0.048 1.00 89.63 14 A 1 ATOM 113 N NE1 . TRP A 1 14 ? 0.161 0.362 2.084 1.00 87.22 14 A 1 ATOM 114 C CE2 . TRP A 1 14 ? 0.477 1.419 1.269 1.00 88.17 14 A 1 ATOM 115 C CE3 . TRP A 1 14 ? 0.518 1.876 -1.094 1.00 86.79 14 A 1 ATOM 116 C CZ2 . TRP A 1 14 ? 0.937 2.707 1.562 1.00 86.50 14 A 1 ATOM 117 C CZ3 . TRP A 1 14 ? 0.974 3.160 -0.801 1.00 85.09 14 A 1 ATOM 118 C CH2 . TRP A 1 14 ? 1.177 3.567 0.512 1.00 85.08 14 A 1 ATOM 119 N N . GLY A 1 15 ? -1.406 -2.195 -4.144 1.00 94.09 15 A 1 ATOM 120 C CA . GLY A 1 15 ? -1.011 -2.911 -5.356 1.00 93.71 15 A 1 ATOM 121 C C . GLY A 1 15 ? -0.658 -1.969 -6.497 1.00 94.81 15 A 1 ATOM 122 O O . GLY A 1 15 ? 0.349 -2.159 -7.180 1.00 94.50 15 A 1 ATOM 123 N N . ALA A 1 16 ? -1.478 -0.942 -6.710 1.00 95.39 16 A 1 ATOM 124 C CA . ALA A 1 16 ? -1.241 0.021 -7.786 1.00 95.43 16 A 1 ATOM 125 C C . ALA A 1 16 ? -0.282 1.132 -7.362 1.00 96.42 16 A 1 ATOM 126 O O . ALA A 1 16 ? 0.608 1.514 -8.120 1.00 95.77 16 A 1 ATOM 127 C CB . ALA A 1 16 ? -2.569 0.618 -8.237 1.00 94.33 16 A 1 ATOM 128 N N . LEU A 1 17 ? -0.455 1.644 -6.148 1.00 94.89 17 A 1 ATOM 129 C CA . LEU A 1 17 ? 0.394 2.728 -5.650 1.00 94.95 17 A 1 ATOM 130 C C . LEU A 1 17 ? 1.849 2.289 -5.519 1.00 95.88 17 A 1 ATOM 131 O O . LEU A 1 17 ? 2.764 3.027 -5.882 1.00 95.99 17 A 1 ATOM 132 C CB . LEU A 1 17 ? -0.126 3.207 -4.291 1.00 94.32 17 A 1 ATOM 133 C CG . LEU A 1 17 ? -1.444 3.973 -4.374 1.00 90.14 17 A 1 ATOM 134 C CD1 . LEU A 1 17 ? -1.978 4.249 -2.975 1.00 87.51 17 A 1 ATOM 135 C CD2 . LEU A 1 17 ? -1.251 5.285 -5.122 1.00 87.53 17 A 1 ATOM 136 N N . ALA A 1 18 ? 2.081 1.091 -5.006 1.00 96.36 18 A 1 ATOM 137 C CA . ALA A 1 18 ? 3.440 0.574 -4.840 1.00 96.04 18 A 1 ATOM 138 C C . ALA A 1 18 ? 4.151 0.471 -6.188 1.00 96.66 18 A 1 ATOM 139 O O . ALA A 1 18 ? 5.332 0.792 -6.308 1.00 96.19 18 A 1 ATOM 140 C CB . ALA A 1 18 ? 3.391 -0.795 -4.169 1.00 94.98 18 A 1 ATOM 141 N N . TRP A 1 19 ? 3.420 0.024 -7.213 1.00 95.36 19 A 1 ATOM 142 C CA . TRP A 1 19 ? 3.993 -0.109 -8.554 1.00 95.31 19 A 1 ATOM 143 C C . TRP A 1 19 ? 4.350 1.263 -9.122 1.00 96.47 19 A 1 ATOM 144 O O . TRP A 1 19 ? 5.432 1.449 -9.682 1.00 96.33 19 A 1 ATOM 145 C CB . TRP A 1 19 ? 2.993 -0.805 -9.474 1.00 94.86 19 A 1 ATOM 146 C CG . TRP A 1 19 ? 3.615 -1.211 -10.764 1.00 92.79 19 A 1 ATOM 147 C CD1 . TRP A 1 19 ? 4.218 -2.402 -11.029 1.00 90.25 19 A 1 ATOM 148 C CD2 . TRP A 1 19 ? 3.708 -0.441 -11.977 1.00 92.59 19 A 1 ATOM 149 N NE1 . TRP A 1 19 ? 4.678 -2.417 -12.321 1.00 89.99 19 A 1 ATOM 150 C CE2 . TRP A 1 19 ? 4.384 -1.229 -12.935 1.00 92.01 19 A 1 ATOM 151 C CE3 . TRP A 1 19 ? 3.284 0.840 -12.348 1.00 90.79 19 A 1 ATOM 152 C CZ2 . TRP A 1 19 ? 4.636 -0.768 -14.229 1.00 90.67 19 A 1 ATOM 153 C CZ3 . TRP A 1 19 ? 3.537 1.299 -13.641 1.00 87.61 19 A 1 ATOM 154 C CH2 . TRP A 1 19 ? 4.207 0.497 -14.568 1.00 88.19 19 A 1 ATOM 155 N N . ALA A 1 20 ? 3.466 2.226 -8.973 1.00 96.55 20 A 1 ATOM 156 C CA . ALA A 1 20 ? 3.701 3.583 -9.472 1.00 96.46 20 A 1 ATOM 157 C C . ALA A 1 20 ? 4.895 4.233 -8.775 1.00 97.10 20 A 1 ATOM 158 O O . ALA A 1 20 ? 5.721 4.874 -9.420 1.00 96.46 20 A 1 ATOM 159 C CB . ALA A 1 20 ? 2.451 4.432 -9.268 1.00 95.71 20 A 1 ATOM 160 N N . VAL A 1 21 ? 4.998 4.071 -7.461 1.00 96.81 21 A 1 ATOM 161 C CA . VAL A 1 21 ? 6.101 4.653 -6.687 1.00 96.58 21 A 1 ATOM 162 C C . VAL A 1 21 ? 7.438 4.071 -7.131 1.00 97.02 21 A 1 ATOM 163 O O . VAL A 1 21 ? 8.418 4.797 -7.305 1.00 96.78 21 A 1 ATOM 164 C CB . VAL A 1 21 ? 5.897 4.402 -5.187 1.00 95.76 21 A 1 ATOM 165 C CG1 . VAL A 1 21 ? 7.109 4.877 -4.393 1.00 93.16 21 A 1 ATOM 166 C CG2 . VAL A 1 21 ? 4.647 5.118 -4.700 1.00 93.70 21 A 1 ATOM 167 N N . GLY A 1 22 ? 7.491 2.761 -7.321 1.00 97.22 22 A 1 ATOM 168 C CA . GLY A 1 22 ? 8.726 2.105 -7.752 1.00 97.31 22 A 1 ATOM 169 C C . GLY A 1 22 ? 9.131 2.511 -9.160 1.00 97.72 22 A 1 ATOM 170 O O . GLY A 1 22 ? 10.309 2.737 -9.434 1.00 97.29 22 A 1 ATOM 171 N N . PHE A 1 23 ? 8.160 2.609 -10.055 1.00 97.32 23 A 1 ATOM 172 C CA . PHE A 1 23 ? 8.424 2.989 -11.444 1.00 97.15 23 A 1 ATOM 173 C C . PHE A 1 23 ? 8.929 4.428 -11.545 1.00 97.49 23 A 1 ATOM 174 O O . PHE A 1 23 ? 9.923 4.697 -12.221 1.00 97.03 23 A 1 ATOM 175 C CB . PHE A 1 23 ? 7.148 2.833 -12.275 1.00 96.57 23 A 1 ATOM 176 C CG . PHE A 1 23 ? 7.375 3.130 -13.733 1.00 94.51 23 A 1 ATOM 177 C CD1 . PHE A 1 23 ? 7.971 2.186 -14.555 1.00 92.17 23 A 1 ATOM 178 C CD2 . PHE A 1 23 ? 7.002 4.353 -14.269 1.00 92.68 23 A 1 ATOM 179 C CE1 . PHE A 1 23 ? 8.189 2.457 -15.898 1.00 91.78 23 A 1 ATOM 180 C CE2 . PHE A 1 23 ? 7.222 4.628 -15.614 1.00 91.66 23 A 1 ATOM 181 C CZ . PHE A 1 23 ? 7.815 3.680 -16.428 1.00 92.65 23 A 1 ATOM 182 N N . VAL A 1 24 ? 8.267 5.357 -10.867 1.00 96.96 24 A 1 ATOM 183 C CA . VAL A 1 24 ? 8.669 6.770 -10.894 1.00 96.59 24 A 1 ATOM 184 C C . VAL A 1 24 ? 10.001 6.977 -10.184 1.00 96.50 24 A 1 ATOM 185 O O . VAL A 1 24 ? 10.826 7.788 -10.608 1.00 94.99 24 A 1 ATOM 186 C CB . VAL A 1 24 ? 7.591 7.647 -10.237 1.00 95.36 24 A 1 ATOM 187 C CG1 . VAL A 1 24 ? 8.048 9.095 -10.160 1.00 90.91 24 A 1 ATOM 188 C CG2 . VAL A 1 24 ? 6.291 7.552 -11.017 1.00 92.03 24 A 1 ATOM 189 N N . GLY A 1 25 ? 10.230 6.256 -9.102 1.00 95.92 25 A 1 ATOM 190 C CA . GLY A 1 25 ? 11.470 6.374 -8.335 1.00 94.94 25 A 1 ATOM 191 C C . GLY A 1 25 ? 12.658 5.750 -9.047 1.00 94.35 25 A 1 ATOM 192 O O . GLY A 1 25 ? 13.802 6.121 -8.790 1.00 92.00 25 A 1 ATOM 193 N N . SER A 1 26 ? 12.400 4.808 -9.941 1.00 92.53 26 A 1 ATOM 194 C CA . SER A 1 26 ? 13.464 4.127 -10.686 1.00 90.81 26 A 1 ATOM 195 C C . SER A 1 26 ? 14.195 5.120 -11.585 1.00 86.17 26 A 1 ATOM 196 O O . SER A 1 26 ? 15.423 5.011 -11.722 1.00 77.84 26 A 1 ATOM 197 C CB . SER A 1 26 ? 12.872 3.002 -11.543 1.00 86.06 26 A 1 ATOM 198 O OG . SER A 1 26 ? 12.045 3.527 -12.561 1.00 79.64 26 A 1 ATOM 199 O OXT . SER A 1 26 ? 13.537 5.982 -12.164 1.00 81.57 26 A 1 #