# 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_spkb36935 # _entry.id spkb36935 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-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" "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 ARG 2 1 n ASN 3 1 n MET 4 1 n ALA 5 1 n SER 6 1 n LEU 7 1 n SER 8 1 n SER 9 1 n SER 10 1 n LEU 11 1 n VAL 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n ALA 16 1 n ALA 17 1 n LEU 18 1 n ILE 19 1 n LEU 20 1 n SER 21 1 n PRO 22 1 n GLN 23 1 n VAL 24 1 n LEU 25 1 n ALA 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 08:50:43)" _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 89.51 _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 80.34 1 1 A ARG 2 2 76.39 1 2 A ASN 3 2 81.59 1 3 A MET 4 2 79.06 1 4 A ALA 5 2 87.09 1 5 A SER 6 2 87.99 1 6 A LEU 7 2 84.74 1 7 A SER 8 2 92.20 1 8 A SER 9 2 93.05 1 9 A SER 10 2 94.18 1 10 A LEU 11 2 92.95 1 11 A VAL 12 2 95.46 1 12 A LEU 13 2 93.90 1 13 A LEU 14 2 93.55 1 14 A LEU 15 2 93.50 1 15 A ALA 16 2 96.38 1 16 A ALA 17 2 96.39 1 17 A LEU 18 2 94.36 1 18 A ILE 19 2 94.80 1 19 A LEU 20 2 91.64 1 20 A SER 21 2 92.40 1 21 A PRO 22 2 94.85 1 22 A GLN 23 2 88.33 1 23 A VAL 24 2 90.50 1 24 A LEU 25 2 89.47 1 25 A ALA 26 2 84.82 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 ASN . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 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 ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n GLN . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n ALA . 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 ? -19.337 10.614 1.333 1.00 83.18 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.968 10.452 1.856 1.00 86.24 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.057 9.848 0.796 1.00 87.61 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.279 8.722 0.371 1.00 83.42 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.992 9.540 3.073 1.00 81.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.076 10.049 4.167 1.00 80.57 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.328 9.157 5.695 1.00 75.44 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.334 10.144 6.797 1.00 64.55 1 A 1 ATOM 9 N N . ARG A 1 2 ? -16.075 10.582 0.361 1.00 86.50 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -15.154 10.114 -0.680 1.00 88.97 2 A 1 ATOM 11 C C . ARG A 1 2 ? -13.702 10.214 -0.215 1.00 90.11 2 A 1 ATOM 12 O O . ARG A 1 2 ? -12.784 10.235 -1.024 1.00 86.93 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -15.366 10.939 -1.951 1.00 85.04 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -14.777 10.257 -3.172 1.00 76.78 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -14.997 11.119 -4.406 1.00 75.86 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -14.231 10.613 -5.539 1.00 67.34 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -14.265 11.159 -6.744 1.00 64.59 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -15.022 12.213 -6.982 1.00 60.69 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -13.535 10.659 -7.718 1.00 57.43 2 A 1 ATOM 20 N N . ASN A 1 3 ? -13.520 10.287 1.083 1.00 82.72 3 A 1 ATOM 21 C CA . ASN A 1 3 ? -12.168 10.397 1.632 1.00 87.46 3 A 1 ATOM 22 C C . ASN A 1 3 ? -11.711 9.085 2.255 1.00 89.32 3 A 1 ATOM 23 O O . ASN A 1 3 ? -10.608 9.003 2.790 1.00 87.29 3 A 1 ATOM 24 C CB . ASN A 1 3 ? -12.135 11.511 2.678 1.00 83.06 3 A 1 ATOM 25 C CG . ASN A 1 3 ? -12.343 12.867 2.039 1.00 77.46 3 A 1 ATOM 26 O OD1 . ASN A 1 3 ? -11.844 13.142 0.965 1.00 73.70 3 A 1 ATOM 27 N ND2 . ASN A 1 3 ? -13.084 13.727 2.708 1.00 71.68 3 A 1 ATOM 28 N N . MET A 1 4 ? -12.565 8.076 2.186 1.00 84.50 4 A 1 ATOM 29 C CA . MET A 1 4 ? -12.222 6.766 2.748 1.00 85.81 4 A 1 ATOM 30 C C . MET A 1 4 ? -11.033 6.170 2.007 1.00 87.28 4 A 1 ATOM 31 O O . MET A 1 4 ? -10.120 5.618 2.612 1.00 84.21 4 A 1 ATOM 32 C CB . MET A 1 4 ? -13.424 5.832 2.642 1.00 82.29 4 A 1 ATOM 33 C CG . MET A 1 4 ? -14.429 6.153 3.734 1.00 77.61 4 A 1 ATOM 34 S SD . MET A 1 4 ? -13.884 5.521 5.307 1.00 70.39 4 A 1 ATOM 35 C CE . MET A 1 4 ? -14.675 6.698 6.390 1.00 60.39 4 A 1 ATOM 36 N N . ALA A 1 5 ? -11.053 6.289 0.692 1.00 86.29 5 A 1 ATOM 37 C CA . ALA A 1 5 ? -9.961 5.768 -0.126 1.00 87.66 5 A 1 ATOM 38 C C . ALA A 1 5 ? -8.670 6.527 0.150 1.00 89.34 5 A 1 ATOM 39 O O . ALA A 1 5 ? -7.587 5.947 0.135 1.00 87.30 5 A 1 ATOM 40 C CB . ALA A 1 5 ? -10.332 5.877 -1.594 1.00 84.85 5 A 1 ATOM 41 N N . SER A 1 6 ? -8.797 7.811 0.397 1.00 89.59 6 A 1 ATOM 42 C CA . SER A 1 6 ? -7.636 8.654 0.682 1.00 90.85 6 A 1 ATOM 43 C C . SER A 1 6 ? -6.974 8.242 1.992 1.00 92.09 6 A 1 ATOM 44 O O . SER A 1 6 ? -5.758 8.078 2.061 1.00 90.25 6 A 1 ATOM 45 C CB . SER A 1 6 ? -8.061 10.116 0.751 1.00 88.54 6 A 1 ATOM 46 O OG . SER A 1 6 ? -6.922 10.938 0.860 1.00 76.63 6 A 1 ATOM 47 N N . LEU A 1 7 ? -7.788 8.069 3.028 1.00 88.48 7 A 1 ATOM 48 C CA . LEU A 1 7 ? -7.267 7.668 4.335 1.00 87.85 7 A 1 ATOM 49 C C . LEU A 1 7 ? -6.689 6.266 4.281 1.00 90.60 7 A 1 ATOM 50 O O . LEU A 1 7 ? -5.590 6.023 4.779 1.00 89.45 7 A 1 ATOM 51 C CB . LEU A 1 7 ? -8.391 7.739 5.362 1.00 87.14 7 A 1 ATOM 52 C CG . LEU A 1 7 ? -8.647 9.165 5.839 1.00 82.24 7 A 1 ATOM 53 C CD1 . LEU A 1 7 ? -10.031 9.281 6.443 1.00 76.93 7 A 1 ATOM 54 C CD2 . LEU A 1 7 ? -7.600 9.554 6.875 1.00 75.22 7 A 1 ATOM 55 N N . SER A 1 8 ? -7.424 5.358 3.670 1.00 93.82 8 A 1 ATOM 56 C CA . SER A 1 8 ? -6.968 3.976 3.554 1.00 94.69 8 A 1 ATOM 57 C C . SER A 1 8 ? -5.740 3.884 2.663 1.00 95.29 8 A 1 ATOM 58 O O . SER A 1 8 ? -4.803 3.151 2.959 1.00 94.50 8 A 1 ATOM 59 C CB . SER A 1 8 ? -8.081 3.108 2.992 1.00 93.12 8 A 1 ATOM 60 O OG . SER A 1 8 ? -9.062 2.898 3.986 1.00 81.79 8 A 1 ATOM 61 N N . SER A 1 9 ? -5.748 4.631 1.577 1.00 94.60 9 A 1 ATOM 62 C CA . SER A 1 9 ? -4.628 4.627 0.634 1.00 95.26 9 A 1 ATOM 63 C C . SER A 1 9 ? -3.338 5.049 1.324 1.00 96.31 9 A 1 ATOM 64 O O . SER A 1 9 ? -2.279 4.471 1.091 1.00 95.38 9 A 1 ATOM 65 C CB . SER A 1 9 ? -4.925 5.569 -0.525 1.00 93.36 9 A 1 ATOM 66 O OG . SER A 1 9 ? -3.915 5.467 -1.497 1.00 83.41 9 A 1 ATOM 67 N N . SER A 1 10 ? -3.427 6.043 2.180 1.00 95.02 10 A 1 ATOM 68 C CA . SER A 1 10 ? -2.253 6.528 2.902 1.00 96.15 10 A 1 ATOM 69 C C . SER A 1 10 ? -1.666 5.428 3.779 1.00 97.19 10 A 1 ATOM 70 O O . SER A 1 10 ? -0.455 5.237 3.823 1.00 96.24 10 A 1 ATOM 71 C CB . SER A 1 10 ? -2.633 7.723 3.767 1.00 94.89 10 A 1 ATOM 72 O OG . SER A 1 10 ? -2.958 8.831 2.953 1.00 85.60 10 A 1 ATOM 73 N N . LEU A 1 11 ? -2.541 4.707 4.460 1.00 95.72 11 A 1 ATOM 74 C CA . LEU A 1 11 ? -2.094 3.614 5.324 1.00 96.16 11 A 1 ATOM 75 C C . LEU A 1 11 ? -1.501 2.490 4.493 1.00 96.91 11 A 1 ATOM 76 O O . LEU A 1 11 ? -0.512 1.876 4.888 1.00 96.85 11 A 1 ATOM 77 C CB . LEU A 1 11 ? -3.278 3.100 6.135 1.00 95.85 11 A 1 ATOM 78 C CG . LEU A 1 11 ? -3.711 4.084 7.219 1.00 89.60 11 A 1 ATOM 79 C CD1 . LEU A 1 11 ? -5.098 3.739 7.719 1.00 85.24 11 A 1 ATOM 80 C CD2 . LEU A 1 11 ? -2.718 4.051 8.381 1.00 87.27 11 A 1 ATOM 81 N N . VAL A 1 12 ? -2.102 2.229 3.355 1.00 96.45 12 A 1 ATOM 82 C CA . VAL A 1 12 ? -1.615 1.177 2.462 1.00 96.56 12 A 1 ATOM 83 C C . VAL A 1 12 ? -0.210 1.512 1.980 1.00 96.90 12 A 1 ATOM 84 O O . VAL A 1 12 ? 0.654 0.640 1.901 1.00 96.47 12 A 1 ATOM 85 C CB . VAL A 1 12 ? -2.558 1.009 1.269 1.00 95.89 12 A 1 ATOM 86 C CG1 . VAL A 1 12 ? -1.960 0.053 0.243 1.00 93.13 12 A 1 ATOM 87 C CG2 . VAL A 1 12 ? -3.901 0.486 1.743 1.00 92.79 12 A 1 ATOM 88 N N . LEU A 1 13 ? 0.014 2.760 1.662 1.00 96.66 13 A 1 ATOM 89 C CA . LEU A 1 13 ? 1.325 3.197 1.187 1.00 96.43 13 A 1 ATOM 90 C C . LEU A 1 13 ? 2.367 3.035 2.289 1.00 96.78 13 A 1 ATOM 91 O O . LEU A 1 13 ? 3.505 2.643 2.025 1.00 96.49 13 A 1 ATOM 92 C CB . LEU A 1 13 ? 1.243 4.659 0.748 1.00 96.23 13 A 1 ATOM 93 C CG . LEU A 1 13 ? 0.534 4.837 -0.596 1.00 91.14 13 A 1 ATOM 94 C CD1 . LEU A 1 13 ? 0.159 6.295 -0.801 1.00 88.33 13 A 1 ATOM 95 C CD2 . LEU A 1 13 ? 1.450 4.377 -1.731 1.00 89.16 13 A 1 ATOM 96 N N . LEU A 1 14 ? 1.970 3.331 3.510 1.00 96.46 14 A 1 ATOM 97 C CA . LEU A 1 14 ? 2.878 3.187 4.645 1.00 96.26 14 A 1 ATOM 98 C C . LEU A 1 14 ? 3.253 1.725 4.836 1.00 96.80 14 A 1 ATOM 99 O O . LEU A 1 14 ? 4.420 1.400 5.058 1.00 96.68 14 A 1 ATOM 100 C CB . LEU A 1 14 ? 2.196 3.729 5.901 1.00 96.25 14 A 1 ATOM 101 C CG . LEU A 1 14 ? 2.234 5.254 5.981 1.00 90.05 14 A 1 ATOM 102 C CD1 . LEU A 1 14 ? 1.193 5.761 6.962 1.00 87.13 14 A 1 ATOM 103 C CD2 . LEU A 1 14 ? 3.622 5.716 6.422 1.00 88.75 14 A 1 ATOM 104 N N . LEU A 1 15 ? 2.266 0.869 4.749 1.00 96.60 15 A 1 ATOM 105 C CA . LEU A 1 15 ? 2.507 -0.565 4.894 1.00 96.17 15 A 1 ATOM 106 C C . LEU A 1 15 ? 3.358 -1.068 3.736 1.00 96.50 15 A 1 ATOM 107 O O . LEU A 1 15 ? 4.250 -1.894 3.919 1.00 96.51 15 A 1 ATOM 108 C CB . LEU A 1 15 ? 1.173 -1.309 4.925 1.00 95.92 15 A 1 ATOM 109 C CG . LEU A 1 15 ? 1.323 -2.770 5.347 1.00 90.13 15 A 1 ATOM 110 C CD1 . LEU A 1 15 ? 1.583 -2.869 6.849 1.00 87.35 15 A 1 ATOM 111 C CD2 . LEU A 1 15 ? 0.066 -3.550 4.992 1.00 88.79 15 A 1 ATOM 112 N N . ALA A 1 16 ? 3.072 -0.566 2.549 1.00 96.96 16 A 1 ATOM 113 C CA . ALA A 1 16 ? 3.820 -0.958 1.358 1.00 96.48 16 A 1 ATOM 114 C C . ALA A 1 16 ? 5.289 -0.583 1.512 1.00 96.79 16 A 1 ATOM 115 O O . ALA A 1 16 ? 6.175 -1.331 1.103 1.00 95.81 16 A 1 ATOM 116 C CB . ALA A 1 16 ? 3.228 -0.274 0.132 1.00 95.85 16 A 1 ATOM 117 N N . ALA A 1 17 ? 5.541 0.560 2.103 1.00 96.95 17 A 1 ATOM 118 C CA . ALA A 1 17 ? 6.913 1.019 2.313 1.00 96.62 17 A 1 ATOM 119 C C . ALA A 1 17 ? 7.665 0.048 3.218 1.00 96.86 17 A 1 ATOM 120 O O . ALA A 1 17 ? 8.840 -0.240 2.993 1.00 95.47 17 A 1 ATOM 121 C CB . ALA A 1 17 ? 6.894 2.412 2.931 1.00 96.07 17 A 1 ATOM 122 N N . LEU A 1 18 ? 6.983 -0.457 4.227 1.00 96.87 18 A 1 ATOM 123 C CA . LEU A 1 18 ? 7.588 -1.418 5.151 1.00 96.38 18 A 1 ATOM 124 C C . LEU A 1 18 ? 7.924 -2.713 4.423 1.00 96.52 18 A 1 ATOM 125 O O . LEU A 1 18 ? 8.992 -3.290 4.621 1.00 95.78 18 A 1 ATOM 126 C CB . LEU A 1 18 ? 6.617 -1.700 6.298 1.00 96.25 18 A 1 ATOM 127 C CG . LEU A 1 18 ? 7.254 -2.508 7.424 1.00 93.34 18 A 1 ATOM 128 C CD1 . LEU A 1 18 ? 8.089 -1.598 8.323 1.00 89.44 18 A 1 ATOM 129 C CD2 . LEU A 1 18 ? 6.178 -3.198 8.253 1.00 90.31 18 A 1 ATOM 130 N N . ILE A 1 19 ? 7.017 -3.154 3.582 1.00 96.81 19 A 1 ATOM 131 C CA . ILE A 1 19 ? 7.222 -4.385 2.820 1.00 96.29 19 A 1 ATOM 132 C C . ILE A 1 19 ? 8.276 -4.165 1.738 1.00 96.37 19 A 1 ATOM 133 O O . ILE A 1 19 ? 9.010 -5.084 1.370 1.00 95.45 19 A 1 ATOM 134 C CB . ILE A 1 19 ? 5.893 -4.837 2.193 1.00 96.00 19 A 1 ATOM 135 C CG1 . ILE A 1 19 ? 4.870 -5.155 3.289 1.00 94.41 19 A 1 ATOM 136 C CG2 . ILE A 1 19 ? 6.115 -6.076 1.315 1.00 93.13 19 A 1 ATOM 137 C CD1 . ILE A 1 19 ? 3.445 -5.187 2.767 1.00 89.97 19 A 1 ATOM 138 N N . LEU A 1 20 ? 8.341 -2.954 1.246 1.00 96.07 20 A 1 ATOM 139 C CA . LEU A 1 20 ? 9.299 -2.620 0.196 1.00 94.90 20 A 1 ATOM 140 C C . LEU A 1 20 ? 10.699 -2.434 0.759 1.00 95.55 20 A 1 ATOM 141 O O . LEU A 1 20 ? 11.657 -2.310 -0.005 1.00 94.84 20 A 1 ATOM 142 C CB . LEU A 1 20 ? 8.846 -1.342 -0.511 1.00 94.40 20 A 1 ATOM 143 C CG . LEU A 1 20 ? 7.734 -1.587 -1.531 1.00 89.16 20 A 1 ATOM 144 C CD1 . LEU A 1 20 ? 7.011 -0.290 -1.852 1.00 83.82 20 A 1 ATOM 145 C CD2 . LEU A 1 20 ? 8.320 -2.177 -2.810 1.00 84.35 20 A 1 ATOM 146 N N . SER A 1 21 ? 10.826 -2.426 2.068 1.00 95.50 21 A 1 ATOM 147 C CA . SER A 1 21 ? 12.126 -2.267 2.716 1.00 94.88 21 A 1 ATOM 148 C C . SER A 1 21 ? 13.171 -3.195 2.090 1.00 95.11 21 A 1 ATOM 149 O O . SER A 1 21 ? 14.208 -2.729 1.611 1.00 93.58 21 A 1 ATOM 150 C CB . SER A 1 21 ? 11.993 -2.535 4.214 1.00 93.29 21 A 1 ATOM 151 O OG . SER A 1 21 ? 13.220 -2.317 4.861 1.00 82.06 21 A 1 ATOM 152 N N . PRO A 1 22 ? 12.917 -4.497 2.077 1.00 95.76 22 A 1 ATOM 153 C CA . PRO A 1 22 ? 13.860 -5.434 1.458 1.00 95.51 22 A 1 ATOM 154 C C . PRO A 1 22 ? 13.783 -5.402 -0.061 1.00 95.89 22 A 1 ATOM 155 O O . PRO A 1 22 ? 14.751 -5.739 -0.744 1.00 94.05 22 A 1 ATOM 156 C CB . PRO A 1 22 ? 13.408 -6.792 1.996 1.00 94.39 22 A 1 ATOM 157 C CG . PRO A 1 22 ? 11.956 -6.615 2.289 1.00 93.26 22 A 1 ATOM 158 C CD . PRO A 1 22 ? 11.779 -5.166 2.689 1.00 95.06 22 A 1 ATOM 159 N N . GLN A 1 23 ? 12.639 -4.999 -0.582 1.00 94.51 23 A 1 ATOM 160 C CA . GLN A 1 23 ? 12.444 -4.934 -2.026 1.00 94.01 23 A 1 ATOM 161 C C . GLN A 1 23 ? 13.294 -3.828 -2.636 1.00 94.12 23 A 1 ATOM 162 O O . GLN A 1 23 ? 13.773 -3.955 -3.761 1.00 91.48 23 A 1 ATOM 163 C CB . GLN A 1 23 ? 10.963 -4.683 -2.342 1.00 93.06 23 A 1 ATOM 164 C CG . GLN A 1 23 ? 10.071 -5.788 -1.798 1.00 87.91 23 A 1 ATOM 165 C CD . GLN A 1 23 ? 10.310 -7.104 -2.518 1.00 84.14 23 A 1 ATOM 166 O OE1 . GLN A 1 23 ? 10.466 -7.132 -3.726 1.00 78.55 23 A 1 ATOM 167 N NE2 . GLN A 1 23 ? 10.345 -8.197 -1.789 1.00 77.23 23 A 1 ATOM 168 N N . VAL A 1 24 ? 13.463 -2.757 -1.902 1.00 93.49 24 A 1 ATOM 169 C CA . VAL A 1 24 ? 14.252 -1.627 -2.393 1.00 92.76 24 A 1 ATOM 170 C C . VAL A 1 24 ? 15.725 -2.011 -2.493 1.00 93.60 24 A 1 ATOM 171 O O . VAL A 1 24 ? 16.419 -1.616 -3.433 1.00 93.14 24 A 1 ATOM 172 C CB . VAL A 1 24 ? 14.086 -0.412 -1.467 1.00 91.20 24 A 1 ATOM 173 C CG1 . VAL A 1 24 ? 14.998 0.727 -1.914 1.00 84.32 24 A 1 ATOM 174 C CG2 . VAL A 1 24 ? 12.641 0.058 -1.470 1.00 85.02 24 A 1 ATOM 175 N N . LEU A 1 25 ? 16.191 -2.777 -1.524 1.00 94.12 25 A 1 ATOM 176 C CA . LEU A 1 25 ? 17.584 -3.214 -1.511 1.00 93.24 25 A 1 ATOM 177 C C . LEU A 1 25 ? 17.825 -4.326 -2.522 1.00 93.57 25 A 1 ATOM 178 O O . LEU A 1 25 ? 18.923 -4.451 -3.068 1.00 93.58 25 A 1 ATOM 179 C CB . LEU A 1 25 ? 17.964 -3.688 -0.100 1.00 93.22 25 A 1 ATOM 180 C CG . LEU A 1 25 ? 18.549 -2.588 0.782 1.00 87.99 25 A 1 ATOM 181 C CD1 . LEU A 1 25 ? 19.863 -2.101 0.190 1.00 81.76 25 A 1 ATOM 182 C CD2 . LEU A 1 25 ? 17.583 -1.426 0.916 1.00 78.24 25 A 1 ATOM 183 N N . ALA A 1 26 ? 16.803 -5.132 -2.738 1.00 91.00 26 A 1 ATOM 184 C CA . ALA A 1 26 ? 16.905 -6.252 -3.664 1.00 89.16 26 A 1 ATOM 185 C C . ALA A 1 26 ? 17.090 -5.763 -5.103 1.00 84.66 26 A 1 ATOM 186 O O . ALA A 1 26 ? 16.355 -4.871 -5.537 1.00 82.81 26 A 1 ATOM 187 C CB . ALA A 1 26 ? 15.672 -7.137 -3.557 1.00 85.59 26 A 1 ATOM 188 O OXT . ALA A 1 26 ? 17.970 -6.281 -5.794 1.00 75.70 26 A 1 #