# 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_p0021 # _entry.id p0021 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 ALA 2 1 n GLN 3 1 n HIS 4 1 n VAL 5 1 n LYS 6 1 n VAL 7 1 n ASN 8 1 n PRO 9 1 n THR 10 1 n THR 11 1 n ASP 12 1 n GLU 13 1 n MET 14 1 n LEU 15 1 n SER 16 1 n LYS 17 1 n LEU 18 1 n SER 19 1 n GLU 20 1 n LYS 21 1 n ARG 22 1 n LYS 23 1 n ARG 24 1 n GLU 25 1 n ASN 26 1 n SER 27 1 n PHE 28 1 n ILE 29 1 n ARG 30 1 n THR 31 1 n LYS 32 1 n GLN 33 1 n ASP 34 1 n ILE 35 1 n ALA 36 1 n ALA 37 1 n GLU 38 1 n ALA 39 1 n ILE 40 1 n VAL 41 1 n ALA 42 1 n LEU 43 1 n TYR 44 1 n LYS 45 1 n LYS 46 1 n GLU 47 1 n MET 48 1 n LYS 49 1 n ASN 50 1 n GLY 51 # _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 (3.0.1 @ 2025-04-07 01:37:26)" _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 90.61 _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 66.63 1 1 A ALA 2 2 74.41 1 2 A GLN 3 2 71.39 1 3 A HIS 4 2 75.47 1 4 A VAL 5 2 84.62 1 5 A LYS 6 2 80.86 1 6 A VAL 7 2 92.61 1 7 A ASN 8 2 93.87 1 8 A PRO 9 2 97.59 1 9 A THR 10 2 96.50 1 10 A THR 11 2 96.21 1 11 A ASP 12 2 95.66 1 12 A GLU 13 2 90.91 1 13 A MET 14 2 96.73 1 14 A LEU 15 2 97.43 1 15 A SER 16 2 97.41 1 16 A LYS 17 2 94.77 1 17 A LEU 18 2 97.26 1 18 A SER 19 2 97.10 1 19 A GLU 20 2 90.71 1 20 A LYS 21 2 95.63 1 21 A ARG 22 2 96.93 1 22 A LYS 23 2 94.54 1 23 A ARG 24 2 88.01 1 24 A GLU 25 2 95.26 1 25 A ASN 26 2 92.37 1 26 A SER 27 2 95.59 1 27 A PHE 28 2 89.55 1 28 A ILE 29 2 94.01 1 29 A ARG 30 2 92.03 1 30 A THR 31 2 96.34 1 31 A LYS 32 2 94.97 1 32 A GLN 33 2 85.03 1 33 A ASP 34 2 92.47 1 34 A ILE 35 2 97.61 1 35 A ALA 36 2 96.47 1 36 A ALA 37 2 95.71 1 37 A GLU 38 2 93.81 1 38 A ALA 39 2 96.40 1 39 A ILE 40 2 92.66 1 40 A VAL 41 2 95.68 1 41 A ALA 42 2 96.77 1 42 A LEU 43 2 94.60 1 43 A TYR 44 2 94.86 1 44 A LYS 45 2 91.56 1 45 A LYS 46 2 88.01 1 46 A GLU 47 2 93.67 1 47 A MET 48 2 91.64 1 48 A LYS 49 2 75.23 1 49 A ASN 50 2 70.41 1 50 A GLY 51 2 70.91 1 51 # _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 GLN . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ASN . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n GLU . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n ARG . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n ARG . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n ASN . 26 A 26 A 27 1 n SER . 27 A 27 A 28 1 n PHE . 28 A 28 A 29 1 n ILE . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n THR . 31 A 31 A 32 1 n LYS . 32 A 32 A 33 1 n GLN . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n ILE . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n ALA . 39 A 39 A 40 1 n ILE . 40 A 40 A 41 1 n VAL . 41 A 41 A 42 1 n ALA . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n TYR . 44 A 44 A 45 1 n LYS . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n GLU . 47 A 47 A 48 1 n MET . 48 A 48 A 49 1 n LYS . 49 A 49 A 50 1 n ASN . 50 A 50 A 51 1 n GLY . 51 A 51 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? -14.334 13.586 9.469 1.00 66.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.517 13.490 8.237 1.00 75.27 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.472 12.036 7.805 1.00 75.10 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.501 11.169 8.671 1.00 72.37 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.091 14.020 8.456 1.00 70.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.073 15.530 8.719 1.00 63.07 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.395 16.176 8.906 1.00 58.83 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.753 17.890 9.374 1.00 51.03 1 A 1 ATOM 9 N N . ALA A 1 2 ? -13.449 11.756 6.492 1.00 71.80 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -13.388 10.374 6.016 1.00 76.23 2 A 1 ATOM 11 C C . ALA A 1 2 ? -12.027 9.761 6.385 1.00 78.25 2 A 1 ATOM 12 O O . ALA A 1 2 ? -10.992 10.334 6.066 1.00 74.55 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -13.636 10.344 4.501 1.00 71.20 2 A 1 ATOM 14 N N . GLN A 1 3 ? -12.031 8.600 7.054 1.00 79.66 3 A 1 ATOM 15 C CA . GLN A 1 3 ? -10.803 7.876 7.430 1.00 81.73 3 A 1 ATOM 16 C C . GLN A 1 3 ? -10.264 6.984 6.305 1.00 82.62 3 A 1 ATOM 17 O O . GLN A 1 3 ? -9.180 6.423 6.428 1.00 78.90 3 A 1 ATOM 18 C CB . GLN A 1 3 ? -11.071 7.033 8.680 1.00 77.97 3 A 1 ATOM 19 C CG . GLN A 1 3 ? -11.238 7.882 9.949 1.00 66.99 3 A 1 ATOM 20 C CD . GLN A 1 3 ? -11.375 7.023 11.200 1.00 62.69 3 A 1 ATOM 21 O OE1 . GLN A 1 3 ? -11.655 5.843 11.154 1.00 57.69 3 A 1 ATOM 22 N NE2 . GLN A 1 3 ? -11.191 7.589 12.372 1.00 54.26 3 A 1 ATOM 23 N N . HIS A 1 4 ? -11.021 6.814 5.226 1.00 84.90 4 A 1 ATOM 24 C CA . HIS A 1 4 ? -10.688 5.898 4.140 1.00 85.23 4 A 1 ATOM 25 C C . HIS A 1 4 ? -10.584 6.659 2.819 1.00 86.21 4 A 1 ATOM 26 O O . HIS A 1 4 ? -11.444 7.480 2.498 1.00 82.89 4 A 1 ATOM 27 C CB . HIS A 1 4 ? -11.741 4.783 4.056 1.00 81.49 4 A 1 ATOM 28 C CG . HIS A 1 4 ? -11.867 3.993 5.340 1.00 75.09 4 A 1 ATOM 29 N ND1 . HIS A 1 4 ? -12.736 4.254 6.377 1.00 65.96 4 A 1 ATOM 30 C CD2 . HIS A 1 4 ? -11.117 2.918 5.713 1.00 65.62 4 A 1 ATOM 31 C CE1 . HIS A 1 4 ? -12.512 3.358 7.350 1.00 62.53 4 A 1 ATOM 32 N NE2 . HIS A 1 4 ? -11.533 2.517 6.991 1.00 64.83 4 A 1 ATOM 33 N N . VAL A 1 5 ? -9.561 6.324 2.024 1.00 85.60 5 A 1 ATOM 34 C CA . VAL A 1 5 ? -9.397 6.795 0.647 1.00 86.51 5 A 1 ATOM 35 C C . VAL A 1 5 ? -9.758 5.652 -0.287 1.00 87.28 5 A 1 ATOM 36 O O . VAL A 1 5 ? -9.180 4.568 -0.202 1.00 85.41 5 A 1 ATOM 37 C CB . VAL A 1 5 ? -7.970 7.310 0.388 1.00 85.01 5 A 1 ATOM 38 C CG1 . VAL A 1 5 ? -7.810 7.791 -1.058 1.00 80.99 5 A 1 ATOM 39 C CG2 . VAL A 1 5 ? -7.642 8.479 1.325 1.00 81.53 5 A 1 ATOM 40 N N . LYS A 1 6 ? -10.731 5.882 -1.174 1.00 90.37 6 A 1 ATOM 41 C CA . LYS A 1 6 ? -11.097 4.907 -2.202 1.00 91.01 6 A 1 ATOM 42 C C . LYS A 1 6 ? -10.075 4.970 -3.332 1.00 91.61 6 A 1 ATOM 43 O O . LYS A 1 6 ? -9.851 6.034 -3.901 1.00 90.10 6 A 1 ATOM 44 C CB . LYS A 1 6 ? -12.533 5.175 -2.685 1.00 88.82 6 A 1 ATOM 45 C CG . LYS A 1 6 ? -13.020 4.090 -3.658 1.00 77.24 6 A 1 ATOM 46 C CD . LYS A 1 6 ? -14.475 4.341 -4.077 1.00 75.73 6 A 1 ATOM 47 C CE . LYS A 1 6 ? -14.931 3.254 -5.052 1.00 65.64 6 A 1 ATOM 48 N NZ . LYS A 1 6 ? -16.334 3.461 -5.504 1.00 57.23 6 A 1 ATOM 49 N N . VAL A 1 7 ? -9.491 3.819 -3.682 1.00 92.63 7 A 1 ATOM 50 C CA . VAL A 1 7 ? -8.619 3.691 -4.856 1.00 93.92 7 A 1 ATOM 51 C C . VAL A 1 7 ? -9.435 3.301 -6.088 1.00 95.28 7 A 1 ATOM 52 O O . VAL A 1 7 ? -10.519 2.726 -5.975 1.00 94.75 7 A 1 ATOM 53 C CB . VAL A 1 7 ? -7.442 2.727 -4.608 1.00 92.96 7 A 1 ATOM 54 C CG1 . VAL A 1 7 ? -6.552 3.258 -3.478 1.00 89.43 7 A 1 ATOM 55 C CG2 . VAL A 1 7 ? -7.887 1.304 -4.275 1.00 89.31 7 A 1 ATOM 56 N N . ASN A 1 8 ? -8.932 3.617 -7.283 1.00 96.07 8 A 1 ATOM 57 C CA . ASN A 1 8 ? -9.550 3.183 -8.532 1.00 96.86 8 A 1 ATOM 58 C C . ASN A 1 8 ? -9.208 1.704 -8.829 1.00 97.43 8 A 1 ATOM 59 O O . ASN A 1 8 ? -8.284 1.150 -8.221 1.00 97.31 8 A 1 ATOM 60 C CB . ASN A 1 8 ? -9.183 4.177 -9.658 1.00 96.39 8 A 1 ATOM 61 C CG . ASN A 1 8 ? -7.733 4.128 -10.097 1.00 93.59 8 A 1 ATOM 62 O OD1 . ASN A 1 8 ? -7.071 3.113 -10.053 1.00 86.34 8 A 1 ATOM 63 N ND2 . ASN A 1 8 ? -7.196 5.233 -10.568 1.00 86.98 8 A 1 ATOM 64 N N . PRO A 1 9 ? -9.928 1.034 -9.760 1.00 97.66 9 A 1 ATOM 65 C CA . PRO A 1 9 ? -9.692 -0.381 -10.076 1.00 97.86 9 A 1 ATOM 66 C C . PRO A 1 9 ? -8.252 -0.697 -10.503 1.00 98.04 9 A 1 ATOM 67 O O . PRO A 1 9 ? -7.696 -1.706 -10.074 1.00 97.80 9 A 1 ATOM 68 C CB . PRO A 1 9 ? -10.689 -0.711 -11.194 1.00 97.74 9 A 1 ATOM 69 C CG . PRO A 1 9 ? -11.838 0.263 -10.942 1.00 96.40 9 A 1 ATOM 70 C CD . PRO A 1 9 ? -11.117 1.516 -10.458 1.00 97.62 9 A 1 ATOM 71 N N . THR A 1 10 ? -7.621 0.179 -11.283 1.00 98.22 10 A 1 ATOM 72 C CA . THR A 1 10 ? -6.228 0.005 -11.725 1.00 98.17 10 A 1 ATOM 73 C C . THR A 1 10 ? -5.257 0.006 -10.544 1.00 98.16 10 A 1 ATOM 74 O O . THR A 1 10 ? -4.394 -0.867 -10.442 1.00 97.80 10 A 1 ATOM 75 C CB . THR A 1 10 ? -5.836 1.117 -12.708 1.00 97.97 10 A 1 ATOM 76 O OG1 . THR A 1 10 ? -6.800 1.221 -13.733 1.00 93.26 10 A 1 ATOM 77 C CG2 . THR A 1 10 ? -4.481 0.876 -13.362 1.00 91.90 10 A 1 ATOM 78 N N . THR A 1 11 ? -5.411 0.936 -9.605 1.00 97.67 11 A 1 ATOM 79 C CA . THR A 1 11 ? -4.584 0.988 -8.395 1.00 97.41 11 A 1 ATOM 80 C C . THR A 1 11 ? -4.805 -0.242 -7.517 1.00 97.73 11 A 1 ATOM 81 O O . THR A 1 11 ? -3.843 -0.793 -6.982 1.00 97.61 11 A 1 ATOM 82 C CB . THR A 1 11 ? -4.873 2.264 -7.594 1.00 96.36 11 A 1 ATOM 83 O OG1 . THR A 1 11 ? -4.677 3.406 -8.397 1.00 93.26 11 A 1 ATOM 84 C CG2 . THR A 1 11 ? -3.957 2.423 -6.382 1.00 93.46 11 A 1 ATOM 85 N N . ASP A 1 12 ? -6.045 -0.722 -7.378 1.00 97.30 12 A 1 ATOM 86 C CA . ASP A 1 12 ? -6.342 -1.939 -6.617 1.00 97.53 12 A 1 ATOM 87 C C . ASP A 1 12 ? -5.690 -3.189 -7.236 1.00 97.86 12 A 1 ATOM 88 O O . ASP A 1 12 ? -5.140 -4.033 -6.513 1.00 97.85 12 A 1 ATOM 89 C CB . ASP A 1 12 ? -7.858 -2.128 -6.482 1.00 97.00 12 A 1 ATOM 90 C CG . ASP A 1 12 ? -8.136 -3.315 -5.564 1.00 95.53 12 A 1 ATOM 91 O OD1 . ASP A 1 12 ? -7.911 -3.184 -4.337 1.00 91.70 12 A 1 ATOM 92 O OD2 . ASP A 1 12 ? -8.445 -4.423 -6.051 1.00 90.55 12 A 1 ATOM 93 N N . GLU A 1 13 ? -5.687 -3.290 -8.566 1.00 98.26 13 A 1 ATOM 94 C CA . GLU A 1 13 ? -5.002 -4.368 -9.286 1.00 98.36 13 A 1 ATOM 95 C C . GLU A 1 13 ? -3.478 -4.318 -9.069 1.00 98.44 13 A 1 ATOM 96 O O . GLU A 1 13 ? -2.850 -5.342 -8.769 1.00 98.32 13 A 1 ATOM 97 C CB . GLU A 1 13 ? -5.351 -4.282 -10.782 1.00 98.26 13 A 1 ATOM 98 C CG . GLU A 1 13 ? -4.908 -5.558 -11.509 1.00 87.95 13 A 1 ATOM 99 C CD . GLU A 1 13 ? -4.989 -5.451 -13.038 1.00 82.94 13 A 1 ATOM 100 O OE1 . GLU A 1 13 ? -4.287 -6.272 -13.685 1.00 76.98 13 A 1 ATOM 101 O OE2 . GLU A 1 13 ? -5.656 -4.537 -13.563 1.00 78.72 13 A 1 ATOM 102 N N . MET A 1 14 ? -2.873 -3.129 -9.135 1.00 98.21 14 A 1 ATOM 103 C CA . MET A 1 14 ? -1.443 -2.942 -8.849 1.00 98.17 14 A 1 ATOM 104 C C . MET A 1 14 ? -1.096 -3.362 -7.413 1.00 98.34 14 A 1 ATOM 105 O O . MET A 1 14 ? -0.128 -4.097 -7.202 1.00 98.20 14 A 1 ATOM 106 C CB . MET A 1 14 ? -1.045 -1.478 -9.075 1.00 97.94 14 A 1 ATOM 107 C CG . MET A 1 14 ? -1.093 -1.065 -10.551 1.00 96.92 14 A 1 ATOM 108 S SD . MET A 1 14 ? -0.780 0.706 -10.817 1.00 95.41 14 A 1 ATOM 109 C CE . MET A 1 14 ? 1.005 0.789 -10.493 1.00 90.65 14 A 1 ATOM 110 N N . LEU A 1 15 ? -1.901 -2.973 -6.429 1.00 98.14 15 A 1 ATOM 111 C CA . LEU A 1 15 ? -1.733 -3.384 -5.033 1.00 98.10 15 A 1 ATOM 112 C C . LEU A 1 15 ? -1.889 -4.900 -4.855 1.00 98.24 15 A 1 ATOM 113 O O . LEU A 1 15 ? -1.175 -5.499 -4.046 1.00 98.22 15 A 1 ATOM 114 C CB . LEU A 1 15 ? -2.755 -2.640 -4.156 1.00 97.72 15 A 1 ATOM 115 C CG . LEU A 1 15 ? -2.455 -1.145 -3.938 1.00 96.91 15 A 1 ATOM 116 C CD1 . LEU A 1 15 ? -3.646 -0.491 -3.239 1.00 96.12 15 A 1 ATOM 117 C CD2 . LEU A 1 15 ? -1.215 -0.937 -3.061 1.00 95.96 15 A 1 ATOM 118 N N . SER A 1 16 ? -2.786 -5.535 -5.617 1.00 98.24 16 A 1 ATOM 119 C CA . SER A 1 16 ? -2.951 -6.998 -5.613 1.00 98.27 16 A 1 ATOM 120 C C . SER A 1 16 ? -1.677 -7.698 -6.089 1.00 98.38 16 A 1 ATOM 121 O O . SER A 1 16 ? -1.135 -8.540 -5.370 1.00 98.20 16 A 1 ATOM 122 C CB . SER A 1 16 ? -4.137 -7.434 -6.486 1.00 97.96 16 A 1 ATOM 123 O OG . SER A 1 16 ? -5.328 -6.794 -6.068 1.00 93.41 16 A 1 ATOM 124 N N . LYS A 1 17 ? -1.135 -7.280 -7.236 1.00 98.41 17 A 1 ATOM 125 C CA . LYS A 1 17 ? 0.103 -7.836 -7.804 1.00 98.40 17 A 1 ATOM 126 C C . LYS A 1 17 ? 1.306 -7.637 -6.874 1.00 98.44 17 A 1 ATOM 127 O O . LYS A 1 17 ? 2.097 -8.565 -6.665 1.00 98.26 17 A 1 ATOM 128 C CB . LYS A 1 17 ? 0.363 -7.206 -9.185 1.00 98.40 17 A 1 ATOM 129 C CG . LYS A 1 17 ? -0.642 -7.692 -10.243 1.00 96.83 17 A 1 ATOM 130 C CD . LYS A 1 17 ? -0.477 -6.962 -11.588 1.00 93.89 17 A 1 ATOM 131 C CE . LYS A 1 17 ? -1.508 -7.511 -12.581 1.00 89.41 17 A 1 ATOM 132 N NZ . LYS A 1 17 ? -1.661 -6.687 -13.810 1.00 80.90 17 A 1 ATOM 133 N N . LEU A 1 18 ? 1.430 -6.463 -6.261 1.00 98.39 18 A 1 ATOM 134 C CA . LEU A 1 18 ? 2.477 -6.190 -5.272 1.00 98.35 18 A 1 ATOM 135 C C . LEU A 1 18 ? 2.328 -7.068 -4.025 1.00 98.42 18 A 1 ATOM 136 O O . LEU A 1 18 ? 3.317 -7.629 -3.551 1.00 98.32 18 A 1 ATOM 137 C CB . LEU A 1 18 ? 2.445 -4.701 -4.883 1.00 98.21 18 A 1 ATOM 138 C CG . LEU A 1 18 ? 3.010 -3.744 -5.948 1.00 96.69 18 A 1 ATOM 139 C CD1 . LEU A 1 18 ? 2.714 -2.299 -5.538 1.00 94.87 18 A 1 ATOM 140 C CD2 . LEU A 1 18 ? 4.527 -3.891 -6.098 1.00 94.84 18 A 1 ATOM 141 N N . SER A 1 19 ? 1.110 -7.229 -3.514 1.00 98.24 19 A 1 ATOM 142 C CA . SER A 1 19 ? 0.821 -8.095 -2.363 1.00 98.25 19 A 1 ATOM 143 C C . SER A 1 19 ? 1.196 -9.550 -2.649 1.00 98.31 19 A 1 ATOM 144 O O . SER A 1 19 ? 1.864 -10.189 -1.835 1.00 98.21 19 A 1 ATOM 145 C CB . SER A 1 19 ? -0.664 -7.972 -1.995 1.00 98.00 19 A 1 ATOM 146 O OG . SER A 1 19 ? -1.001 -8.798 -0.891 1.00 91.60 19 A 1 ATOM 147 N N . GLU A 1 20 ? 0.824 -10.078 -3.816 1.00 98.43 20 A 1 ATOM 148 C CA . GLU A 1 20 ? 1.168 -11.442 -4.234 1.00 98.40 20 A 1 ATOM 149 C C . GLU A 1 20 ? 2.679 -11.644 -4.362 1.00 98.40 20 A 1 ATOM 150 O O . GLU A 1 20 ? 3.220 -12.644 -3.881 1.00 98.07 20 A 1 ATOM 151 C CB . GLU A 1 20 ? 0.519 -11.743 -5.585 1.00 98.09 20 A 1 ATOM 152 C CG . GLU A 1 20 ? -0.993 -11.947 -5.471 1.00 87.08 20 A 1 ATOM 153 C CD . GLU A 1 20 ? -1.661 -12.105 -6.842 1.00 82.58 20 A 1 ATOM 154 O OE1 . GLU A 1 20 ? -2.911 -12.143 -6.852 1.00 77.06 20 A 1 ATOM 155 O OE2 . GLU A 1 20 ? -0.929 -12.177 -7.856 1.00 78.26 20 A 1 ATOM 156 N N . LYS A 1 21 ? 3.378 -10.682 -4.981 1.00 98.37 21 A 1 ATOM 157 C CA . LYS A 1 21 ? 4.839 -10.703 -5.082 1.00 98.40 21 A 1 ATOM 158 C C . LYS A 1 21 ? 5.476 -10.755 -3.692 1.00 98.47 21 A 1 ATOM 159 O O . LYS A 1 21 ? 6.233 -11.683 -3.403 1.00 98.26 21 A 1 ATOM 160 C CB . LYS A 1 21 ? 5.324 -9.497 -5.902 1.00 98.26 21 A 1 ATOM 161 C CG . LYS A 1 21 ? 6.855 -9.498 -6.027 1.00 97.53 21 A 1 ATOM 162 C CD . LYS A 1 21 ? 7.393 -8.278 -6.786 1.00 95.62 21 A 1 ATOM 163 C CE . LYS A 1 21 ? 8.916 -8.323 -6.641 1.00 91.35 21 A 1 ATOM 164 N NZ . LYS A 1 21 ? 9.611 -7.168 -7.253 1.00 84.43 21 A 1 ATOM 165 N N . ARG A 1 22 ? 5.131 -9.827 -2.807 1.00 98.26 22 A 1 ATOM 166 C CA . ARG A 1 22 ? 5.724 -9.728 -1.463 1.00 98.16 22 A 1 ATOM 167 C C . ARG A 1 22 ? 5.374 -10.916 -0.558 1.00 98.12 22 A 1 ATOM 168 O O . ARG A 1 22 ? 6.188 -11.295 0.278 1.00 97.71 22 A 1 ATOM 169 C CB . ARG A 1 22 ? 5.307 -8.404 -0.814 1.00 98.11 22 A 1 ATOM 170 C CG . ARG A 1 22 ? 6.009 -7.194 -1.454 1.00 97.74 22 A 1 ATOM 171 C CD . ARG A 1 22 ? 5.625 -5.939 -0.669 1.00 96.86 22 A 1 ATOM 172 N NE . ARG A 1 22 ? 6.313 -4.718 -1.127 1.00 96.18 22 A 1 ATOM 173 C CZ . ARG A 1 22 ? 6.367 -3.586 -0.438 1.00 96.14 22 A 1 ATOM 174 N NH1 . ARG A 1 22 ? 5.785 -3.446 0.713 1.00 94.41 22 A 1 ATOM 175 N NH2 . ARG A 1 22 ? 7.009 -2.547 -0.878 1.00 94.52 22 A 1 ATOM 176 N N . LYS A 1 23 ? 4.207 -11.550 -0.738 1.00 98.06 23 A 1 ATOM 177 C CA . LYS A 1 23 ? 3.867 -12.815 -0.061 1.00 97.97 23 A 1 ATOM 178 C C . LYS A 1 23 ? 4.798 -13.946 -0.488 1.00 97.97 23 A 1 ATOM 179 O O . LYS A 1 23 ? 5.274 -14.673 0.375 1.00 97.52 23 A 1 ATOM 180 C CB . LYS A 1 23 ? 2.409 -13.199 -0.334 1.00 97.66 23 A 1 ATOM 181 C CG . LYS A 1 23 ? 1.420 -12.367 0.497 1.00 95.44 23 A 1 ATOM 182 C CD . LYS A 1 23 ? -0.009 -12.636 0.013 1.00 93.37 23 A 1 ATOM 183 C CE . LYS A 1 23 ? -1.013 -11.764 0.767 1.00 89.61 23 A 1 ATOM 184 N NZ . LYS A 1 23 ? -2.371 -11.871 0.178 1.00 83.27 23 A 1 ATOM 185 N N . ARG A 1 24 ? 5.088 -14.073 -1.789 1.00 98.36 24 A 1 ATOM 186 C CA . ARG A 1 24 ? 6.044 -15.069 -2.308 1.00 98.31 24 A 1 ATOM 187 C C . ARG A 1 24 ? 7.465 -14.832 -1.795 1.00 98.33 24 A 1 ATOM 188 O O . ARG A 1 24 ? 8.182 -15.788 -1.538 1.00 97.72 24 A 1 ATOM 189 C CB . ARG A 1 24 ? 6.030 -15.076 -3.843 1.00 97.94 24 A 1 ATOM 190 C CG . ARG A 1 24 ? 4.742 -15.699 -4.403 1.00 93.27 24 A 1 ATOM 191 C CD . ARG A 1 24 ? 4.780 -15.779 -5.936 1.00 89.25 24 A 1 ATOM 192 N NE . ARG A 1 24 ? 4.685 -14.447 -6.562 1.00 81.49 24 A 1 ATOM 193 C CZ . ARG A 1 24 ? 4.918 -14.164 -7.835 1.00 75.02 24 A 1 ATOM 194 N NH1 . ARG A 1 24 ? 5.309 -15.079 -8.680 1.00 68.77 24 A 1 ATOM 195 N NH2 . ARG A 1 24 ? 4.754 -12.949 -8.285 1.00 69.62 24 A 1 ATOM 196 N N . GLU A 1 25 ? 7.841 -13.572 -1.599 1.00 98.25 25 A 1 ATOM 197 C CA . GLU A 1 25 ? 9.145 -13.160 -1.064 1.00 98.15 25 A 1 ATOM 198 C C . GLU A 1 25 ? 9.211 -13.182 0.483 1.00 98.06 25 A 1 ATOM 199 O O . GLU A 1 25 ? 10.205 -12.752 1.059 1.00 97.33 25 A 1 ATOM 200 C CB . GLU A 1 25 ? 9.492 -11.770 -1.627 1.00 97.82 25 A 1 ATOM 201 C CG . GLU A 1 25 ? 9.732 -11.795 -3.150 1.00 95.63 25 A 1 ATOM 202 C CD . GLU A 1 25 ? 9.861 -10.396 -3.783 1.00 93.75 25 A 1 ATOM 203 O OE1 . GLU A 1 25 ? 10.224 -10.320 -4.981 1.00 89.26 25 A 1 ATOM 204 O OE2 . GLU A 1 25 ? 9.522 -9.381 -3.136 1.00 89.07 25 A 1 ATOM 205 N N . ASN A 1 26 ? 8.161 -13.659 1.162 1.00 97.79 26 A 1 ATOM 206 C CA . ASN A 1 26 ? 8.033 -13.655 2.627 1.00 97.71 26 A 1 ATOM 207 C C . ASN A 1 26 ? 8.267 -12.277 3.281 1.00 97.81 26 A 1 ATOM 208 O O . ASN A 1 26 ? 8.729 -12.193 4.420 1.00 96.60 26 A 1 ATOM 209 C CB . ASN A 1 26 ? 8.890 -14.778 3.237 1.00 97.03 26 A 1 ATOM 210 C CG . ASN A 1 26 ? 8.375 -16.151 2.860 1.00 89.78 26 A 1 ATOM 211 O OD1 . ASN A 1 26 ? 7.195 -16.447 2.981 1.00 81.94 26 A 1 ATOM 212 N ND2 . ASN A 1 26 ? 9.243 -17.028 2.417 1.00 80.27 26 A 1 ATOM 213 N N . SER A 1 27 ? 7.919 -11.200 2.589 1.00 97.67 27 A 1 ATOM 214 C CA . SER A 1 27 ? 8.033 -9.842 3.123 1.00 97.48 27 A 1 ATOM 215 C C . SER A 1 27 ? 7.077 -9.620 4.300 1.00 97.48 27 A 1 ATOM 216 O O . SER A 1 27 ? 5.933 -10.083 4.287 1.00 96.14 27 A 1 ATOM 217 C CB . SER A 1 27 ? 7.772 -8.817 2.023 1.00 96.93 27 A 1 ATOM 218 O OG . SER A 1 27 ? 7.963 -7.501 2.513 1.00 87.87 27 A 1 ATOM 219 N N . PHE A 1 28 ? 7.533 -8.866 5.309 1.00 97.33 28 A 1 ATOM 220 C CA . PHE A 1 28 ? 6.698 -8.471 6.449 1.00 96.94 28 A 1 ATOM 221 C C . PHE A 1 28 ? 5.544 -7.556 6.013 1.00 97.10 28 A 1 ATOM 222 O O . PHE A 1 28 ? 4.380 -7.813 6.335 1.00 95.88 28 A 1 ATOM 223 C CB . PHE A 1 28 ? 7.594 -7.804 7.502 1.00 96.27 28 A 1 ATOM 224 C CG . PHE A 1 28 ? 6.855 -7.460 8.776 1.00 90.66 28 A 1 ATOM 225 C CD1 . PHE A 1 28 ? 6.417 -6.143 9.011 1.00 85.32 28 A 1 ATOM 226 C CD2 . PHE A 1 28 ? 6.584 -8.464 9.725 1.00 84.20 28 A 1 ATOM 227 C CE1 . PHE A 1 28 ? 5.713 -5.829 10.185 1.00 80.38 28 A 1 ATOM 228 C CE2 . PHE A 1 28 ? 5.880 -8.152 10.899 1.00 80.91 28 A 1 ATOM 229 C CZ . PHE A 1 28 ? 5.444 -6.836 11.132 1.00 80.02 28 A 1 ATOM 230 N N . ILE A 1 29 ? 5.849 -6.536 5.202 1.00 96.25 29 A 1 ATOM 231 C CA . ILE A 1 29 ? 4.867 -5.619 4.613 1.00 96.49 29 A 1 ATOM 232 C C . ILE A 1 29 ? 4.330 -6.251 3.328 1.00 96.89 29 A 1 ATOM 233 O O . ILE A 1 29 ? 4.970 -6.174 2.281 1.00 96.21 29 A 1 ATOM 234 C CB . ILE A 1 29 ? 5.489 -4.232 4.361 1.00 95.74 29 A 1 ATOM 235 C CG1 . ILE A 1 29 ? 6.026 -3.625 5.676 1.00 92.13 29 A 1 ATOM 236 C CG2 . ILE A 1 29 ? 4.449 -3.304 3.709 1.00 92.28 29 A 1 ATOM 237 C CD1 . ILE A 1 29 ? 6.759 -2.296 5.498 1.00 86.06 29 A 1 ATOM 238 N N . ARG A 1 30 ? 3.182 -6.902 3.404 1.00 97.28 30 A 1 ATOM 239 C CA . ARG A 1 30 ? 2.625 -7.688 2.288 1.00 97.42 30 A 1 ATOM 240 C C . ARG A 1 30 ? 1.131 -7.509 2.041 1.00 97.56 30 A 1 ATOM 241 O O . ARG A 1 30 ? 0.619 -8.039 1.054 1.00 96.93 30 A 1 ATOM 242 C CB . ARG A 1 30 ? 2.985 -9.162 2.491 1.00 96.74 30 A 1 ATOM 243 C CG . ARG A 1 30 ? 2.338 -9.774 3.739 1.00 95.11 30 A 1 ATOM 244 C CD . ARG A 1 30 ? 2.836 -11.204 3.932 1.00 93.89 30 A 1 ATOM 245 N NE . ARG A 1 30 ? 2.248 -11.812 5.133 1.00 88.78 30 A 1 ATOM 246 C CZ . ARG A 1 30 ? 2.510 -13.023 5.584 1.00 85.77 30 A 1 ATOM 247 N NH1 . ARG A 1 30 ? 3.324 -13.829 4.954 1.00 81.58 30 A 1 ATOM 248 N NH2 . ARG A 1 30 ? 1.953 -13.445 6.686 1.00 81.24 30 A 1 ATOM 249 N N . THR A 1 31 ? 0.406 -6.810 2.923 1.00 97.48 31 A 1 ATOM 250 C CA . THR A 1 31 ? -1.014 -6.523 2.693 1.00 97.20 31 A 1 ATOM 251 C C . THR A 1 31 ? -1.163 -5.324 1.761 1.00 97.31 31 A 1 ATOM 252 O O . THR A 1 31 ? -0.276 -4.478 1.675 1.00 97.06 31 A 1 ATOM 253 C CB . THR A 1 31 ? -1.810 -6.312 3.989 1.00 96.73 31 A 1 ATOM 254 O OG1 . THR A 1 31 ? -1.571 -5.039 4.518 1.00 94.74 31 A 1 ATOM 255 C CG2 . THR A 1 31 ? -1.540 -7.372 5.054 1.00 93.88 31 A 1 ATOM 256 N N . LYS A 1 32 ? -2.302 -5.214 1.047 1.00 96.63 32 A 1 ATOM 257 C CA . LYS A 1 32 ? -2.587 -4.041 0.204 1.00 96.53 32 A 1 ATOM 258 C C . LYS A 1 32 ? -2.539 -2.743 1.011 1.00 96.47 32 A 1 ATOM 259 O O . LYS A 1 32 ? -2.017 -1.743 0.531 1.00 96.23 32 A 1 ATOM 260 C CB . LYS A 1 32 ? -3.968 -4.160 -0.468 1.00 96.36 32 A 1 ATOM 261 C CG . LYS A 1 32 ? -4.104 -5.277 -1.510 1.00 95.60 32 A 1 ATOM 262 C CD . LYS A 1 32 ? -5.452 -5.123 -2.236 1.00 94.57 32 A 1 ATOM 263 C CE . LYS A 1 32 ? -5.704 -6.195 -3.295 1.00 92.69 32 A 1 ATOM 264 N NZ . LYS A 1 32 ? -6.952 -5.923 -4.058 1.00 89.61 32 A 1 ATOM 265 N N . GLN A 1 33 ? -3.069 -2.779 2.231 1.00 95.57 33 A 1 ATOM 266 C CA . GLN A 1 33 ? -3.131 -1.625 3.118 1.00 95.06 33 A 1 ATOM 267 C C . GLN A 1 33 ? -1.734 -1.181 3.565 1.00 95.75 33 A 1 ATOM 268 O O . GLN A 1 33 ? -1.413 -0.002 3.460 1.00 95.37 33 A 1 ATOM 269 C CB . GLN A 1 33 ? -4.033 -1.976 4.304 1.00 93.00 33 A 1 ATOM 270 C CG . GLN A 1 33 ? -4.286 -0.765 5.214 1.00 81.06 33 A 1 ATOM 271 C CD . GLN A 1 33 ? -5.312 -1.064 6.306 1.00 76.15 33 A 1 ATOM 272 O OE1 . GLN A 1 33 ? -5.861 -2.145 6.418 1.00 69.10 33 A 1 ATOM 273 N NE2 . GLN A 1 33 ? -5.625 -0.099 7.142 1.00 64.17 33 A 1 ATOM 274 N N . ASP A 1 34 ? -0.881 -2.117 3.991 1.00 95.96 34 A 1 ATOM 275 C CA . ASP A 1 34 ? 0.482 -1.796 4.427 1.00 96.01 34 A 1 ATOM 276 C C . ASP A 1 34 ? 1.339 -1.271 3.270 1.00 96.60 34 A 1 ATOM 277 O O . ASP A 1 34 ? 2.102 -0.325 3.436 1.00 96.27 34 A 1 ATOM 278 C CB . ASP A 1 34 ? 1.164 -3.038 5.022 1.00 94.90 34 A 1 ATOM 279 C CG . ASP A 1 34 ? 0.431 -3.647 6.210 1.00 89.78 34 A 1 ATOM 280 O OD1 . ASP A 1 34 ? -0.150 -2.882 7.011 1.00 85.60 34 A 1 ATOM 281 O OD2 . ASP A 1 34 ? 0.401 -4.901 6.254 1.00 84.64 34 A 1 ATOM 282 N N . ILE A 1 35 ? 1.197 -1.860 2.074 1.00 97.35 35 A 1 ATOM 283 C CA . ILE A 1 35 ? 1.905 -1.406 0.868 1.00 97.64 35 A 1 ATOM 284 C C . ILE A 1 35 ? 1.466 0.012 0.485 1.00 97.41 35 A 1 ATOM 285 O O . ILE A 1 35 ? 2.310 0.852 0.172 1.00 97.33 35 A 1 ATOM 286 C CB . ILE A 1 35 ? 1.677 -2.398 -0.295 1.00 98.06 35 A 1 ATOM 287 C CG1 . ILE A 1 35 ? 2.343 -3.760 0.013 1.00 97.85 35 A 1 ATOM 288 C CG2 . ILE A 1 35 ? 2.231 -1.841 -1.620 1.00 97.77 35 A 1 ATOM 289 C CD1 . ILE A 1 35 ? 1.868 -4.898 -0.899 1.00 97.44 35 A 1 ATOM 290 N N . ALA A 1 36 ? 0.162 0.295 0.517 1.00 96.98 36 A 1 ATOM 291 C CA . ALA A 1 36 ? -0.351 1.636 0.246 1.00 96.62 36 A 1 ATOM 292 C C . ALA A 1 36 ? 0.163 2.650 1.282 1.00 96.69 36 A 1 ATOM 293 O O . ALA A 1 36 ? 0.621 3.728 0.905 1.00 96.21 36 A 1 ATOM 294 C CB . ALA A 1 36 ? -1.882 1.582 0.207 1.00 95.86 36 A 1 ATOM 295 N N . ALA A 1 37 ? 0.158 2.286 2.569 1.00 95.87 37 A 1 ATOM 296 C CA . ALA A 1 37 ? 0.674 3.140 3.635 1.00 95.72 37 A 1 ATOM 297 C C . ALA A 1 37 ? 2.172 3.438 3.459 1.00 96.11 37 A 1 ATOM 298 O O . ALA A 1 37 ? 2.578 4.598 3.546 1.00 95.98 37 A 1 ATOM 299 C CB . ALA A 1 37 ? 0.384 2.468 4.985 1.00 94.88 37 A 1 ATOM 300 N N . GLU A 1 38 ? 2.979 2.431 3.149 1.00 96.99 38 A 1 ATOM 301 C CA . GLU A 1 38 ? 4.410 2.598 2.862 1.00 97.34 38 A 1 ATOM 302 C C . GLU A 1 38 ? 4.649 3.563 1.692 1.00 97.49 38 A 1 ATOM 303 O O . GLU A 1 38 ? 5.468 4.479 1.800 1.00 97.10 38 A 1 ATOM 304 C CB . GLU A 1 38 ? 5.024 1.217 2.568 1.00 97.15 38 A 1 ATOM 305 C CG . GLU A 1 38 ? 6.544 1.269 2.340 1.00 92.88 38 A 1 ATOM 306 C CD . GLU A 1 38 ? 7.139 -0.085 1.908 1.00 91.78 38 A 1 ATOM 307 O OE1 . GLU A 1 38 ? 8.369 -0.270 2.031 1.00 86.37 38 A 1 ATOM 308 O OE2 . GLU A 1 38 ? 6.398 -0.956 1.388 1.00 87.22 38 A 1 ATOM 309 N N . ALA A 1 39 ? 3.901 3.398 0.597 1.00 96.77 39 A 1 ATOM 310 C CA . ALA A 1 39 ? 4.015 4.262 -0.577 1.00 96.49 39 A 1 ATOM 311 C C . ALA A 1 39 ? 3.656 5.724 -0.256 1.00 96.67 39 A 1 ATOM 312 O O . ALA A 1 39 ? 4.391 6.637 -0.640 1.00 96.13 39 A 1 ATOM 313 C CB . ALA A 1 39 ? 3.134 3.686 -1.694 1.00 95.92 39 A 1 ATOM 314 N N . ILE A 1 40 ? 2.580 5.957 0.500 1.00 95.62 40 A 1 ATOM 315 C CA . ILE A 1 40 ? 2.170 7.304 0.920 1.00 95.40 40 A 1 ATOM 316 C C . ILE A 1 40 ? 3.202 7.930 1.863 1.00 95.98 40 A 1 ATOM 317 O O . ILE A 1 40 ? 3.542 9.098 1.704 1.00 96.09 40 A 1 ATOM 318 C CB . ILE A 1 40 ? 0.756 7.266 1.545 1.00 94.36 40 A 1 ATOM 319 C CG1 . ILE A 1 40 ? -0.334 6.887 0.509 1.00 91.60 40 A 1 ATOM 320 C CG2 . ILE A 1 40 ? 0.392 8.598 2.222 1.00 91.54 40 A 1 ATOM 321 C CD1 . ILE A 1 40 ? -0.505 7.843 -0.676 1.00 80.68 40 A 1 ATOM 322 N N . VAL A 1 41 ? 3.755 7.165 2.819 1.00 96.02 41 A 1 ATOM 323 C CA . VAL A 1 41 ? 4.812 7.665 3.716 1.00 96.35 41 A 1 ATOM 324 C C . VAL A 1 41 ? 6.069 8.050 2.933 1.00 96.68 41 A 1 ATOM 325 O O . VAL A 1 41 ? 6.694 9.069 3.241 1.00 96.76 41 A 1 ATOM 326 C CB . VAL A 1 41 ? 5.135 6.622 4.805 1.00 96.03 41 A 1 ATOM 327 C CG1 . VAL A 1 41 ? 6.402 6.964 5.608 1.00 93.86 41 A 1 ATOM 328 C CG2 . VAL A 1 41 ? 3.985 6.524 5.816 1.00 94.05 41 A 1 ATOM 329 N N . ALA A 1 42 ? 6.450 7.258 1.925 1.00 96.78 42 A 1 ATOM 330 C CA . ALA A 1 42 ? 7.593 7.577 1.071 1.00 96.79 42 A 1 ATOM 331 C C . ALA A 1 42 ? 7.363 8.871 0.272 1.00 96.95 42 A 1 ATOM 332 O O . ALA A 1 42 ? 8.240 9.740 0.254 1.00 96.64 42 A 1 ATOM 333 C CB . ALA A 1 42 ? 7.874 6.374 0.159 1.00 96.68 42 A 1 ATOM 334 N N . LEU A 1 43 ? 6.176 9.033 -0.318 1.00 96.79 43 A 1 ATOM 335 C CA . LEU A 1 43 ? 5.799 10.246 -1.044 1.00 96.59 43 A 1 ATOM 336 C C . LEU A 1 43 ? 5.761 11.467 -0.117 1.00 96.78 43 A 1 ATOM 337 O O . LEU A 1 43 ? 6.398 12.478 -0.414 1.00 96.74 43 A 1 ATOM 338 C CB . LEU A 1 43 ? 4.447 10.005 -1.733 1.00 96.19 43 A 1 ATOM 339 C CG . LEU A 1 43 ? 3.973 11.191 -2.596 1.00 93.59 43 A 1 ATOM 340 C CD1 . LEU A 1 43 ? 4.930 11.467 -3.759 1.00 90.21 43 A 1 ATOM 341 C CD2 . LEU A 1 43 ? 2.590 10.879 -3.169 1.00 89.95 43 A 1 ATOM 342 N N . TYR A 1 44 ? 5.110 11.348 1.038 1.00 96.25 44 A 1 ATOM 343 C CA . TYR A 1 44 ? 5.032 12.416 2.036 1.00 96.38 44 A 1 ATOM 344 C C . TYR A 1 44 ? 6.423 12.887 2.471 1.00 96.47 44 A 1 ATOM 345 O O . TYR A 1 44 ? 6.698 14.083 2.504 1.00 96.48 44 A 1 ATOM 346 C CB . TYR A 1 44 ? 4.227 11.920 3.242 1.00 96.29 44 A 1 ATOM 347 C CG . TYR A 1 44 ? 4.127 12.950 4.355 1.00 95.92 44 A 1 ATOM 348 C CD1 . TYR A 1 44 ? 5.066 12.962 5.408 1.00 94.32 44 A 1 ATOM 349 C CD2 . TYR A 1 44 ? 3.111 13.924 4.316 1.00 94.21 44 A 1 ATOM 350 C CE1 . TYR A 1 44 ? 4.993 13.944 6.413 1.00 93.32 44 A 1 ATOM 351 C CE2 . TYR A 1 44 ? 3.031 14.909 5.320 1.00 93.40 44 A 1 ATOM 352 C CZ . TYR A 1 44 ? 3.975 14.918 6.367 1.00 93.48 44 A 1 ATOM 353 O OH . TYR A 1 44 ? 3.905 15.878 7.337 1.00 91.85 44 A 1 ATOM 354 N N . LYS A 1 45 ? 7.335 11.948 2.772 1.00 96.11 45 A 1 ATOM 355 C CA . LYS A 1 45 ? 8.717 12.298 3.135 1.00 95.86 45 A 1 ATOM 356 C C . LYS A 1 45 ? 9.440 13.031 2.007 1.00 95.98 45 A 1 ATOM 357 O O . LYS A 1 45 ? 10.223 13.925 2.295 1.00 95.59 45 A 1 ATOM 358 C CB . LYS A 1 45 ? 9.507 11.040 3.519 1.00 95.50 45 A 1 ATOM 359 C CG . LYS A 1 45 ? 9.142 10.526 4.920 1.00 93.10 45 A 1 ATOM 360 C CD . LYS A 1 45 ? 9.866 9.195 5.183 1.00 89.24 45 A 1 ATOM 361 C CE . LYS A 1 45 ? 9.500 8.656 6.570 1.00 85.00 45 A 1 ATOM 362 N NZ . LYS A 1 45 ? 10.088 7.311 6.806 1.00 77.64 45 A 1 ATOM 363 N N . LYS A 1 46 ? 9.209 12.638 0.756 1.00 95.81 46 A 1 ATOM 364 C CA . LYS A 1 46 ? 9.823 13.278 -0.411 1.00 95.33 46 A 1 ATOM 365 C C . LYS A 1 46 ? 9.328 14.713 -0.595 1.00 95.22 46 A 1 ATOM 366 O O . LYS A 1 46 ? 10.140 15.593 -0.860 1.00 94.17 46 A 1 ATOM 367 C CB . LYS A 1 46 ? 9.549 12.409 -1.647 1.00 94.67 46 A 1 ATOM 368 C CG . LYS A 1 46 ? 10.207 12.972 -2.914 1.00 87.25 46 A 1 ATOM 369 C CD . LYS A 1 46 ? 9.820 12.137 -4.142 1.00 84.51 46 A 1 ATOM 370 C CE . LYS A 1 46 ? 10.390 12.810 -5.395 1.00 76.27 46 A 1 ATOM 371 N NZ . LYS A 1 46 ? 9.897 12.157 -6.634 1.00 68.90 46 A 1 ATOM 372 N N . GLU A 1 47 ? 8.030 14.941 -0.454 1.00 97.25 47 A 1 ATOM 373 C CA . GLU A 1 47 ? 7.422 16.245 -0.744 1.00 96.97 47 A 1 ATOM 374 C C . GLU A 1 47 ? 7.483 17.220 0.441 1.00 96.66 47 A 1 ATOM 375 O O . GLU A 1 47 ? 7.714 18.407 0.246 1.00 95.10 47 A 1 ATOM 376 C CB . GLU A 1 47 ? 5.980 16.037 -1.221 1.00 96.43 47 A 1 ATOM 377 C CG . GLU A 1 47 ? 5.962 15.325 -2.585 1.00 94.40 47 A 1 ATOM 378 C CD . GLU A 1 47 ? 4.556 15.151 -3.175 1.00 92.70 47 A 1 ATOM 379 O OE1 . GLU A 1 47 ? 4.492 14.658 -4.329 1.00 86.82 47 A 1 ATOM 380 O OE2 . GLU A 1 47 ? 3.563 15.468 -2.485 1.00 86.70 47 A 1 ATOM 381 N N . MET A 1 48 ? 7.339 16.717 1.677 1.00 96.94 48 A 1 ATOM 382 C CA . MET A 1 48 ? 7.247 17.574 2.865 1.00 96.30 48 A 1 ATOM 383 C C . MET A 1 48 ? 8.586 17.808 3.577 1.00 94.37 48 A 1 ATOM 384 O O . MET A 1 48 ? 8.674 18.741 4.371 1.00 89.34 48 A 1 ATOM 385 C CB . MET A 1 48 ? 6.218 16.996 3.857 1.00 95.64 48 A 1 ATOM 386 C CG . MET A 1 48 ? 4.826 16.799 3.250 1.00 93.12 48 A 1 ATOM 387 S SD . MET A 1 48 ? 3.980 18.302 2.690 1.00 89.13 48 A 1 ATOM 388 C CE . MET A 1 48 ? 3.774 19.201 4.253 1.00 78.24 48 A 1 ATOM 389 N N . LYS A 1 49 ? 9.631 16.974 3.369 1.00 91.51 49 A 1 ATOM 390 C CA . LYS A 1 49 ? 10.970 17.234 3.952 1.00 86.15 49 A 1 ATOM 391 C C . LYS A 1 49 ? 11.824 18.203 3.136 1.00 82.23 49 A 1 ATOM 392 O O . LYS A 1 49 ? 12.827 18.677 3.666 1.00 74.75 49 A 1 ATOM 393 C CB . LYS A 1 49 ? 11.775 15.940 4.166 1.00 81.62 49 A 1 ATOM 394 C CG . LYS A 1 49 ? 11.446 15.209 5.466 1.00 73.45 49 A 1 ATOM 395 C CD . LYS A 1 49 ? 12.480 14.086 5.679 1.00 68.62 49 A 1 ATOM 396 C CE . LYS A 1 49 ? 12.401 13.554 7.111 1.00 62.58 49 A 1 ATOM 397 N NZ . LYS A 1 49 ? 13.538 12.653 7.409 1.00 56.13 49 A 1 ATOM 398 N N . ASN A 1 50 ? 11.488 18.431 1.875 1.00 80.85 50 A 1 ATOM 399 C CA . ASN A 1 50 ? 12.269 19.282 0.972 1.00 77.00 50 A 1 ATOM 400 C C . ASN A 1 50 ? 11.614 20.663 0.755 1.00 74.15 50 A 1 ATOM 401 O O . ASN A 1 50 ? 11.996 21.363 -0.178 1.00 69.20 50 A 1 ATOM 402 C CB . ASN A 1 50 ? 12.514 18.522 -0.348 1.00 72.46 50 A 1 ATOM 403 C CG . ASN A 1 50 ? 13.380 17.271 -0.224 1.00 67.05 50 A 1 ATOM 404 O OD1 . ASN A 1 50 ? 14.171 17.062 0.685 1.00 61.96 50 A 1 ATOM 405 N ND2 . ASN A 1 50 ? 13.279 16.374 -1.187 1.00 60.59 50 A 1 ATOM 406 N N . GLY A 1 51 ? 10.632 21.001 1.573 1.00 80.02 51 A 1 ATOM 407 C CA . GLY A 1 51 ? 10.003 22.320 1.619 1.00 74.84 51 A 1 ATOM 408 C C . GLY A 1 51 ? 10.495 23.143 2.794 1.00 69.12 51 A 1 ATOM 409 O O . GLY A 1 51 ? 10.771 22.545 3.859 1.00 62.94 51 A 1 ATOM 410 O OXT . GLY A 1 51 ? 10.575 24.398 2.638 1.00 67.65 51 A 1 #