data_5EXN # _entry.id 5EXN # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5EXN WWPDB D_1000215667 # loop_ _pdbx_database_related.content_type _pdbx_database_related.db_id _pdbx_database_related.db_name _pdbx_database_related.details unspecified 5EXL PDB . unspecified 5EXM PDB . # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5EXN _pdbx_database_status.recvd_initial_deposition_date 2015-11-23 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # _audit_author.name 'Sheriff, S.' _audit_author.pdbx_ordinal 1 # loop_ _citation.abstract _citation.abstract_id_CAS _citation.book_id_ISBN _citation.book_publisher _citation.book_publisher_city _citation.book_title _citation.coordinate_linkage _citation.country _citation.database_id_Medline _citation.details _citation.id _citation.journal_abbrev _citation.journal_id_ASTM _citation.journal_id_CSD _citation.journal_id_ISSN _citation.journal_full _citation.journal_issue _citation.journal_volume _citation.language _citation.page_first _citation.page_last _citation.title _citation.year _citation.database_id_CSD _citation.pdbx_database_id_DOI _citation.pdbx_database_id_PubMed _citation.unpublished_flag ? ? ? ? ? ? ? UK ? ? primary Bioorg.Med.Chem. BMECEP 1200 1464-3391 ? ? 24 ? 2257 2272 'Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group' 2016 ? 10.1016/j.bmc.2016.03.062 27073051 ? ? ? ? ? ? ? ? US ? ? 1 J.Med.Chem. JMCMAR 0151 0022-2623 ? ? 57 ? 955 969 'Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors' 2014 ? ? ? ? ? ? ? ? ? ? ? US ? ? 2 J.Med.Chem. JMCMAR 0151 0022-2623 ? ? 57 ? 9915 9932 'Phenylimidazoles as Potent and Selective Inhibitors of Coagulation Factor XIa with In Vivo Antithrombotic Activity' 2014 ? ? ? ? ? ? ? ? ? ? ? UK ? ? 3 Bioorg.Med.Chem.Lett. BMCLE8 1127 0960-894X ? ? 25 ? 925 930 'Pyridine and Pyridinone-Based Factor XIa Inhibitors' 2015 ? ? ? ? ? ? ? ? ? ? ? UK ? ? 4 Bioorg.Med.Chem.Lett. BMCLE8 1127 0960-894X ? ? 25 ? 1635 1642 'Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties' 2015 ? ? ? ? ? ? ? ? ? ? ? US ? ? 5 A.C.S.Med.Chem.Lett. ? ? 1948-5875 ? ? 6 ? 590 595 ;Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety ; 2015 ? ? ? ? ? ? ? ? ? ? ? UK ? ? 6 Bioorg.Med.Chem.Lett. BMCLE8 1127 1464-3405 ? ? ? ? ? ? 'Novel phenylalanine derived diamides as Factor XIa inhibitors' 2015 ? 10.1016/j.bmcl.2015.11.089 ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Corte, J.R.' 1 primary 'Fang, T.' 2 primary 'Pinto, D.J.P.' 3 primary 'Orwat, M.J.' 4 primary 'Han, W.' 5 primary 'Rendina, A.R.' 6 primary 'Luettgen, J.M.' 7 primary 'Rossi, K.A.' 8 primary 'Wei, A.' 9 primary 'Ramamurthy, V.' 10 primary 'Myers Jr., J.E.' 11 primary 'Sheriff, S.' 12 primary 'Narayanan, R.' 13 primary 'Harper, T.' 14 primary 'Zheng, J.J.' 15 primary 'Li, Y.-X.' 16 primary 'Seiffert, D.A.' 17 primary 'Wexler, R.R.' 18 primary 'Quan, M.L.' 19 1 'Quan, M.L.' 20 1 'Wong, P.C.' 21 1 'Wang, C.' 22 1 'Woerner, F.' 23 1 'Smallheer, J.M.' 24 1 'Barbera, F.A.' 25 1 'Bozarth, J.M.' 26 1 'Brown, R.L.' 27 1 'Harpel, M.R.' 28 1 'Luettgen, J.M.' 29 1 'Morin, P.E.' 30 1 'Peterson, T.' 31 1 'Ramamurthy, V.' 32 1 'Rendina, A.R.' 33 1 'Rossi, K.A.' 34 1 'Watson, C.A.' 35 1 'Wei, A.' 36 1 'Zhang, G.' 37 1 'Seiffert, D.' 38 1 'Wexler, R.R.' 39 2 'Hangeland, J.J.' 40 2 'Friends, T.J.' 41 2 'Rossi, K.A.' 42 2 'Smallheer, J.M.' 43 2 'Wang, C.' 44 2 'Sun, Z.' 45 2 'Corte, J.R.' 46 2 'Fang, T.' 47 2 'Wong, P.C.' 48 2 'Rendina, A.R.' 49 2 'Barbera, F.A.' 50 2 'Bozarth, J.M.' 51 2 'Luettgen, J.M.' 52 2 'Watson, C.A.' 53 2 'Zhang, G.' 54 2 'Wei, A.' 55 2 'Ramamurthy, V.' 56 2 'Morin, P.E.' 57 2 'Bisacchi, G.S.' 58 2 'Subramaniam, S.' 59 2 'Arunachalam, P.' 60 2 'Mathur, A.' 61 2 'Seiffert, D.A.' 62 2 'Wexler, R.R.' 63 2 'Quan, M.L.' 64 3 'Corte, J.R.' 65 3 'Fang, T.' 66 3 'Hangeland, J.J.' 67 3 'Friends, T.J.' 68 3 'Rendina, A.R.' 69 3 'Luettgen, J.M.' 70 3 'Bozarth, J.M.' 71 3 'Barbera, F.A.' 72 3 'Rossi, K.A.' 73 3 'Wei, A.' 74 3 'Ramamurthy, V.' 75 3 'Morin, P.E.' 76 3 'Seiffert, D.A.' 77 3 'Wexler, R.R.' 78 3 'Quan, M.L.' 79 4 'Pinto, D.J.P.' 80 4 'Smallheer, J.M.' 81 4 'Corte, J.R.' 82 4 'Austin, E.J.D.' 83 4 'Wang, C.' 84 4 'Fang, T.' 85 4 'Smith II, L.M.' 86 4 'Rossi, K.A.' 87 4 'Rendina, A.R.' 88 4 'Bozarth, J.M.' 89 4 'Zhang, G.' 90 4 'Wei, A.' 91 4 'Ramamurthy, V.' 92 4 'Sheriff, S.' 93 4 'Myers Jr., J.E.' 94 4 'Morin, P.E.' 95 4 'Luettgen, J.M.' 96 4 'Seiffert, D.A.' 97 4 'Quan, M.L.' 98 4 'Wexler, R.R.' 99 5 'Hu, Z.' 100 5 'Wong, P.C.' 101 5 'Gilligan, P.J.' 102 5 'Han, W.' 103 5 'Pabbisetty, K.B.' 104 5 'Bozarth, J.M.' 105 5 'Crain, E.J.' 106 5 'Harper, T.' 107 5 'Luettgen, J.M.' 108 5 'Myers Jr., J.E.' 109 5 'Ramamurthy, V.' 110 5 'Rossi, K.A.' 111 5 'Sheriff, S.' 112 5 'Watson, C.A.' 113 5 'Wei, A.' 114 5 'Zheng, J.J.' 115 5 'Seiffert, D.A.' 116 5 'Wexler, R.R.' 117 5 'Quan, M.L.' 118 6 'Smith II, L.M.' 119 6 'Orwat, M.J.' 120 6 'Hu, Z.' 121 6 'Han, W.' 122 6 'Wang, C.' 123 6 'Rossi, K.A.' 124 6 'Gilligan, P.J.' 125 6 'Pabbisetty, K.B.' 126 6 'Osuna, H.' 127 6 'Corte, J.R.' 128 6 'Rendina, A.R.' 129 6 'Luettgen, J.M.' 130 6 'Wong, P.C.' 131 6 'Narayanan, R.' 132 6 'Harper, T.' 133 6 'Bozarth, J.M.' 134 6 'Crain, E.J.' 135 6 'Wei, A.' 136 6 'Ramamurthy, V.' 137 6 'Morin, P.E.' 138 6 'Seiffert, D.A.' 139 6 'Quan, M.L.' 140 6 'Lam, P.Y.S.' 141 6 'Wexler, R.R.' 142 6 'Pinto, D.J.P.' 143 # _cell.angle_alpha 90.000 _cell.angle_alpha_esd ? _cell.angle_beta 90.000 _cell.angle_beta_esd ? _cell.angle_gamma 90.000 _cell.angle_gamma_esd ? _cell.entry_id 5EXN _cell.details ? _cell.formula_units_Z ? _cell.length_a 38.890 _cell.length_a_esd ? _cell.length_b 69.120 _cell.length_b_esd ? _cell.length_c 85.320 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5EXN _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Coagulation factor XIa light chain' 26856.496 1 3.4.21.27 C122S ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn ;methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate ; 580.036 1 ? ? ? ? 4 water nat water 18.015 221 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'FXI,Plasma thromboplastin antecedent,PTA' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEII IHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQK RYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV ; _entity_poly.pdbx_seq_one_letter_code_can ;IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEII IHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQK RYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ILE n 1 2 VAL n 1 3 GLY n 1 4 GLY n 1 5 THR n 1 6 ALA n 1 7 SER n 1 8 VAL n 1 9 ARG n 1 10 GLY n 1 11 GLU n 1 12 TRP n 1 13 PRO n 1 14 TRP n 1 15 GLN n 1 16 VAL n 1 17 THR n 1 18 LEU n 1 19 HIS n 1 20 THR n 1 21 THR n 1 22 SER n 1 23 PRO n 1 24 THR n 1 25 GLN n 1 26 ARG n 1 27 HIS n 1 28 LEU n 1 29 CYS n 1 30 GLY n 1 31 GLY n 1 32 SER n 1 33 ILE n 1 34 ILE n 1 35 GLY n 1 36 ASN n 1 37 GLN n 1 38 TRP n 1 39 ILE n 1 40 LEU n 1 41 THR n 1 42 ALA n 1 43 ALA n 1 44 HIS n 1 45 CYS n 1 46 PHE n 1 47 TYR n 1 48 GLY n 1 49 VAL n 1 50 GLU n 1 51 SER n 1 52 PRO n 1 53 LYS n 1 54 ILE n 1 55 LEU n 1 56 ARG n 1 57 VAL n 1 58 TYR n 1 59 SER n 1 60 GLY n 1 61 ILE n 1 62 LEU n 1 63 ASN n 1 64 GLN n 1 65 SER n 1 66 GLU n 1 67 ILE n 1 68 LYS n 1 69 GLU n 1 70 ASP n 1 71 THR n 1 72 SER n 1 73 PHE n 1 74 PHE n 1 75 GLY n 1 76 VAL n 1 77 GLN n 1 78 GLU n 1 79 ILE n 1 80 ILE n 1 81 ILE n 1 82 HIS n 1 83 ASP n 1 84 GLN n 1 85 TYR n 1 86 LYS n 1 87 MET n 1 88 ALA n 1 89 GLU n 1 90 SER n 1 91 GLY n 1 92 TYR n 1 93 ASP n 1 94 ILE n 1 95 ALA n 1 96 LEU n 1 97 LEU n 1 98 LYS n 1 99 LEU n 1 100 GLU n 1 101 THR n 1 102 THR n 1 103 VAL n 1 104 ASN n 1 105 TYR n 1 106 THR n 1 107 ASP n 1 108 SER n 1 109 GLN n 1 110 ARG n 1 111 PRO n 1 112 ILE n 1 113 SER n 1 114 LEU n 1 115 PRO n 1 116 SER n 1 117 LYS n 1 118 GLY n 1 119 ASP n 1 120 ARG n 1 121 ASN n 1 122 VAL n 1 123 ILE n 1 124 TYR n 1 125 THR n 1 126 ASP n 1 127 CYS n 1 128 TRP n 1 129 VAL n 1 130 THR n 1 131 GLY n 1 132 TRP n 1 133 GLY n 1 134 TYR n 1 135 ARG n 1 136 LYS n 1 137 LEU n 1 138 ARG n 1 139 ASP n 1 140 LYS n 1 141 ILE n 1 142 GLN n 1 143 ASN n 1 144 THR n 1 145 LEU n 1 146 GLN n 1 147 LYS n 1 148 ALA n 1 149 LYS n 1 150 ILE n 1 151 PRO n 1 152 LEU n 1 153 VAL n 1 154 THR n 1 155 ASN n 1 156 GLU n 1 157 GLU n 1 158 CYS n 1 159 GLN n 1 160 LYS n 1 161 ARG n 1 162 TYR n 1 163 ARG n 1 164 GLY n 1 165 HIS n 1 166 LYS n 1 167 ILE n 1 168 THR n 1 169 HIS n 1 170 LYS n 1 171 MET n 1 172 ILE n 1 173 CYS n 1 174 ALA n 1 175 GLY n 1 176 TYR n 1 177 ARG n 1 178 GLU n 1 179 GLY n 1 180 GLY n 1 181 LYS n 1 182 ASP n 1 183 ALA n 1 184 CYS n 1 185 LYS n 1 186 GLY n 1 187 ASP n 1 188 SER n 1 189 GLY n 1 190 GLY n 1 191 PRO n 1 192 LEU n 1 193 SER n 1 194 CYS n 1 195 LYS n 1 196 HIS n 1 197 ASN n 1 198 GLU n 1 199 VAL n 1 200 TRP n 1 201 HIS n 1 202 LEU n 1 203 VAL n 1 204 GLY n 1 205 ILE n 1 206 THR n 1 207 SER n 1 208 TRP n 1 209 GLY n 1 210 GLU n 1 211 GLY n 1 212 CYS n 1 213 ALA n 1 214 GLN n 1 215 ARG n 1 216 GLU n 1 217 ARG n 1 218 PRO n 1 219 GLY n 1 220 VAL n 1 221 TYR n 1 222 THR n 1 223 ASN n 1 224 VAL n 1 225 VAL n 1 226 GLU n 1 227 TYR n 1 228 VAL n 1 229 ASP n 1 230 TRP n 1 231 ILE n 1 232 LEU n 1 233 GLU n 1 234 LYS n 1 235 THR n 1 236 GLN n 1 237 ALA n 1 238 VAL n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 238 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene F11 _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'KOMAGATAELLA PASTORIS' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 4922 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain SMD1168H _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pPICZalphaA _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code FA11_HUMAN _struct_ref.pdbx_db_accession P03951 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEII IHDQYKMAESGYDIALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQK RYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV ; _struct_ref.pdbx_align_begin 388 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5EXN _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 238 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P03951 _struct_ref_seq.db_align_beg 388 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 625 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 16 _struct_ref_seq.pdbx_auth_seq_align_end 245 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 5EXN _struct_ref_seq_dif.mon_id SER _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 113 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code P03951 _struct_ref_seq_dif.db_mon_id CYS _struct_ref_seq_dif.pdbx_seq_db_seq_num 500 _struct_ref_seq_dif.details 'engineered mutation' _struct_ref_seq_dif.pdbx_auth_seq_num 122 _struct_ref_seq_dif.pdbx_ordinal 1 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight 5SU non-polymer . ;methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate ; ? 'C31 H26 Cl N7 O3' 580.036 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5EXN _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.13 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 42.39 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 277 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '100 MM SODIUM CITRATE, PH 5.0, 36%(w/v) PEG4000' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100.0 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details KIRKPARTICK-BAEZ _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-02-12 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'APS BEAMLINE 17-ID' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.0 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 17-ID _diffrn_source.pdbx_synchrotron_site APS # _reflns.B_iso_Wilson_estimate 19.040 _reflns.entry_id 5EXN _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.490 _reflns.d_resolution_low 42.660 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 38508 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I 0.000 _reflns.percent_possible_obs 99.900 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 6.300 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.052 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 17.500 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.490 _reflns_shell.d_res_low 1.670 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 4.000 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 100.000 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.374 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 6.200 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects 0 _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] -3.3596 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][2] -0.0617 _refine.aniso_B[2][3] 0.0000 _refine.aniso_B[3][3] 3.4213 _refine.B_iso_max 86.570 _refine.B_iso_mean 22.9800 _refine.B_iso_min 8.950 _refine.correlation_coeff_Fo_to_Fc 0.9598 _refine.correlation_coeff_Fo_to_Fc_free 0.9573 _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5EXN _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.4900 _refine.ls_d_res_low 32.0300 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 38331 _refine.ls_number_reflns_R_free 1823 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.9100 _refine.ls_percent_reflns_R_free 4.7600 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1712 _refine.ls_R_factor_R_free 0.1950 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1700 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 3SOR _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI 0.0680 _refine.pdbx_overall_SU_R_free_Blow_DPI 0.0710 _refine.pdbx_overall_SU_R_Blow_DPI 0.0710 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML ? _refine.overall_SU_R_Cruickshank_DPI 0.0680 _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_analyze.entry_id 5EXN _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_coordinate_error_obs 0.154 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_sigma_a_free_details ? _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_sigma_a_obs_details ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.RG_d_res_high ? _refine_analyze.RG_d_res_low ? _refine_analyze.RG_free ? _refine_analyze.RG_work ? _refine_analyze.RG_free_work_ratio ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.cycle_id final _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.d_res_high 1.4900 _refine_hist.d_res_low 32.0300 _refine_hist.pdbx_number_atoms_ligand 56 _refine_hist.number_atoms_solvent 221 _refine_hist.number_atoms_total 2128 _refine_hist.pdbx_number_residues_total 237 _refine_hist.pdbx_B_iso_mean_ligand 21.17 _refine_hist.pdbx_B_iso_mean_solvent 34.34 _refine_hist.pdbx_number_atoms_protein 1851 _refine_hist.pdbx_number_atoms_nucleic_acid 0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? ? ? 683 ? t_dihedral_angle_d 2.000 SINUSOIDAL 'X-RAY DIFFRACTION' ? ? ? 40 ? t_trig_c_planes 2.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 349 ? t_gen_planes 5.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 2004 ? t_it 20.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_nbd ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_improper_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_pseud_angle ? ? 'X-RAY DIFFRACTION' ? ? ? 259 ? t_chiral_improper_torsion 5.000 SEMIHARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_sum_occupancies ? ? 'X-RAY DIFFRACTION' ? ? ? 2 ? t_utility_distance 1.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_angle ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? 2460 ? t_ideal_dist_contact 4.000 SEMIHARMONIC 'X-RAY DIFFRACTION' ? 0.010 ? 2004 ? t_bond_d 2.000 HARMONIC 'X-RAY DIFFRACTION' ? 1.090 ? 2749 ? t_angle_deg 2.000 HARMONIC 'X-RAY DIFFRACTION' ? 4.290 ? ? ? t_omega_torsion ? ? 'X-RAY DIFFRACTION' ? 14.110 ? ? ? t_other_torsion ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.4900 _refine_ls_shell.d_res_low 1.5300 _refine_ls_shell.number_reflns_all 2929 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 150 _refine_ls_shell.number_reflns_R_work 2779 _refine_ls_shell.percent_reflns_obs 99.9100 _refine_ls_shell.percent_reflns_R_free 5.1200 _refine_ls_shell.R_factor_all 0.1969 _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.2109 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.1962 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 19 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5EXN _struct.title ;FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate ; _struct.pdbx_descriptor 'Coagulation factor XIa light chain (E.C.3.4.21.27)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5EXN _struct_keywords.text 'HYDROLASE, SERINE PROTEASE, COAGULATION FACTOR, SYNTETHIC INHIBITOR, BLOOD, HYDROLASE-HYDROLASE INHIBITOR COMPLEX' _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ALA A 42 ? TYR A 47 B ALA A 55 TYR A 58 5 ? 6 HELX_P HELX_P2 AA2 SER A 51 ? LYS A 53 ? SER A 62 LYS A 64 5 ? 3 HELX_P HELX_P3 AA3 ASN A 63 ? ILE A 67 ? ASN A 72 ILE A 76 5 ? 5 HELX_P HELX_P4 AA4 MET A 87 ? GLY A 91 ? MET A 96 GLY A 100 5 ? 5 HELX_P HELX_P5 AA5 THR A 154 ? TYR A 162 ? THR A 164 TYR A 171 1 ? 9 HELX_P HELX_P6 AA6 TYR A 227 ? GLN A 236 ? TYR A 234 GLN A 243 1 ? 10 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 29 SG ? ? ? 1_555 A CYS 45 SG ? ? A CYS 42 A CYS 58 1_555 ? ? ? ? ? ? ? 2.012 ? disulf2 disulf ? ? A CYS 127 SG ? ? ? 1_555 A CYS 194 SG ? ? A CYS 136 A CYS 201 1_555 ? ? ? ? ? ? ? 2.057 ? disulf3 disulf ? ? A CYS 158 SG ? ? ? 1_555 A CYS 173 SG ? ? A CYS 168 A CYS 182 1_555 ? ? ? ? ? ? ? 2.039 ? disulf4 disulf ? ? A CYS 184 SG A ? ? 1_555 A CYS 212 SG A ? A CYS 191 A CYS 219 1_555 ? ? ? ? ? ? ? 2.024 ? covale1 covale one ? A ASN 104 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 113 A NAG 301 1_555 ? ? ? ? ? ? ? 1.434 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id SER _struct_mon_prot_cis.label_seq_id 22 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code A _struct_mon_prot_cis.auth_comp_id SER _struct_mon_prot_cis.auth_seq_id 36 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 23 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 B _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 36 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -2.59 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 8 ? AA2 ? 7 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? anti-parallel AA1 6 7 ? anti-parallel AA1 7 8 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? anti-parallel AA2 6 7 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 THR A 5 ? ALA A 6 ? THR A 20 ALA A 21 AA1 2 GLN A 146 ? LYS A 149 ? GLN A 156 LYS A 159 AA1 3 CYS A 127 ? GLY A 131 ? CYS A 136 GLY A 140 AA1 4 PRO A 191 ? HIS A 196 ? PRO A 198 HIS A 203 AA1 5 VAL A 199 ? TRP A 208 ? VAL A 206 TRP A 215 AA1 6 GLY A 219 ? ASN A 223 ? GLY A 226 ASN A 230 AA1 7 MET A 171 ? ALA A 174 ? MET A 180 ALA A 183 AA1 8 LEU A 152 ? VAL A 153 ? LEU A 162 VAL A 163 AA2 1 GLN A 15 ? THR A 20 ? GLN A 30 THR A 35 AA2 2 ARG A 26 ? GLY A 35 ? ARG A 39 GLY A 48 AA2 3 TRP A 38 ? THR A 41 ? TRP A 51 THR A 54 AA2 4 ALA A 95 ? LEU A 99 ? ALA A 104 LEU A 108 AA2 5 PHE A 74 ? ILE A 81 ? PHE A 83 ILE A 90 AA2 6 LEU A 55 A TYR A 58 ? LEU A 65 TYR A 67 AA2 7 GLN A 15 ? THR A 20 ? GLN A 30 THR A 35 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N THR A 5 ? N THR A 20 O LYS A 147 ? O LYS A 157 AA1 2 3 O GLN A 146 ? O GLN A 156 N GLY A 131 ? N GLY A 140 AA1 3 4 N TRP A 128 ? N TRP A 137 O SER A 193 ? O SER A 200 AA1 4 5 N HIS A 196 ? N HIS A 203 O VAL A 199 ? O VAL A 206 AA1 5 6 N TRP A 208 ? N TRP A 215 O VAL A 220 ? O VAL A 227 AA1 6 7 O TYR A 221 ? O TYR A 228 N ILE A 172 ? N ILE A 181 AA1 7 8 O CYS A 173 ? O CYS A 182 N VAL A 153 ? N VAL A 163 AA2 1 2 N LEU A 18 ? N LEU A 33 O LEU A 28 ? O LEU A 41 AA2 2 3 N SER A 32 ? N SER A 45 O LEU A 40 ? O LEU A 53 AA2 3 4 N THR A 41 ? N THR A 54 O ALA A 95 ? O ALA A 104 AA2 4 5 O LEU A 96 ? O LEU A 105 N ILE A 80 ? N ILE A 89 AA2 5 6 O PHE A 74 ? O PHE A 83 N VAL A 57 ? N VAL A 66 AA2 6 7 O ARG A 56 B O ARG A 65 N HIS A 19 ? N HIS A 34 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A 5SU 302 ? 23 'binding site for residue 5SU A 302' AC2 Software A NAG 301 ? 8 'binding site for Mono-Saccharide NAG A 301 bound to ASN A 113' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 23 ARG A 26 ? ARG A 39 . ? 1_555 ? 2 AC1 23 HIS A 27 ? HIS A 40 . ? 1_555 ? 3 AC1 23 LEU A 28 ? LEU A 41 . ? 1_555 ? 4 AC1 23 HIS A 44 ? HIS A 57 . ? 1_555 ? 5 AC1 23 ILE A 141 ? ILE A 151 . ? 1_555 ? 6 AC1 23 ASP A 182 ? ASP A 189 . ? 1_555 ? 7 AC1 23 ALA A 183 ? ALA A 190 . ? 1_555 ? 8 AC1 23 CYS A 184 ? CYS A 191 . ? 1_555 ? 9 AC1 23 LYS A 185 ? LYS A 192 . ? 1_555 ? 10 AC1 23 GLY A 186 ? GLY A 193 . ? 1_555 ? 11 AC1 23 ASP A 187 ? ASP A 194 . ? 1_555 ? 12 AC1 23 SER A 188 ? SER A 195 . ? 1_555 ? 13 AC1 23 ASN A 197 ? ASN A 204 . ? 1_655 ? 14 AC1 23 TRP A 208 ? TRP A 215 . ? 1_555 ? 15 AC1 23 GLY A 209 ? GLY A 216 . ? 1_555 ? 16 AC1 23 GLY A 211 ? GLY A 218 . ? 1_555 ? 17 AC1 23 CYS A 212 ? CYS A 219 . ? 1_555 ? 18 AC1 23 GLY A 219 ? GLY A 226 . ? 1_555 ? 19 AC1 23 VAL A 220 ? VAL A 227 . ? 1_555 ? 20 AC1 23 HOH D . ? HOH A 496 . ? 1_555 ? 21 AC1 23 HOH D . ? HOH A 505 . ? 1_555 ? 22 AC1 23 HOH D . ? HOH A 520 . ? 1_555 ? 23 AC1 23 HOH D . ? HOH A 525 . ? 1_555 ? 24 AC2 8 MET A 87 ? MET A 96 . ? 2_455 ? 25 AC2 8 THR A 102 ? THR A 111 . ? 1_555 ? 26 AC2 8 ASN A 104 ? ASN A 113 . ? 1_555 ? 27 AC2 8 GLY A 164 ? GLY A 173 . ? 2_455 ? 28 AC2 8 HIS A 165 ? HIS A 174 . ? 2_455 ? 29 AC2 8 HOH D . ? HOH A 466 . ? 1_555 ? 30 AC2 8 HOH D . ? HOH A 490 . ? 1_555 ? 31 AC2 8 HOH D . ? HOH A 550 . ? 1_555 ? # _atom_sites.entry_id 5EXN _atom_sites.fract_transf_matrix[1][1] 0.025714 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014468 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.011721 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL H N O S # 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.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ILE A 1 1 ? -6.385 17.602 -14.886 1.00 14.82 ? 16 ILE A N 1 ATOM 2 C CA . ILE A 1 1 ? -7.485 18.229 -15.642 1.00 13.73 ? 16 ILE A CA 1 ATOM 3 C C . ILE A 1 1 ? -7.084 19.625 -16.077 1.00 18.26 ? 16 ILE A C 1 ATOM 4 O O . ILE A 1 1 ? -6.809 20.475 -15.224 1.00 18.79 ? 16 ILE A O 1 ATOM 5 C CB . ILE A 1 1 ? -8.795 18.301 -14.764 1.00 14.46 ? 16 ILE A CB 1 ATOM 6 C CG1 . ILE A 1 1 ? -9.201 16.900 -14.228 1.00 14.93 ? 16 ILE A CG1 1 ATOM 7 C CG2 . ILE A 1 1 ? -9.956 18.960 -15.505 1.00 14.77 ? 16 ILE A CG2 1 ATOM 8 C CD1 . ILE A 1 1 ? -9.760 15.890 -15.258 1.00 14.67 ? 16 ILE A CD1 1 ATOM 9 N N . VAL A 1 2 ? -7.152 19.899 -17.379 1.00 14.63 ? 17 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? -6.833 21.234 -17.889 1.00 14.37 ? 17 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? -8.094 22.048 -17.835 1.00 16.51 ? 17 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? -9.162 21.568 -18.233 1.00 16.02 ? 17 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? -6.299 21.149 -19.325 1.00 18.25 ? 17 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? -5.938 22.550 -19.846 1.00 17.32 ? 17 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? -5.098 20.228 -19.370 1.00 18.88 ? 17 VAL A CG2 1 ATOM 16 N N . GLY A 1 3 ? -7.974 23.269 -17.317 1.00 16.79 ? 18 GLY A N 1 ATOM 17 C CA . GLY A 1 3 ? -9.094 24.196 -17.230 1.00 17.79 ? 18 GLY A CA 1 ATOM 18 C C . GLY A 1 3 ? -10.181 23.743 -16.280 1.00 24.18 ? 18 GLY A C 1 ATOM 19 O O . GLY A 1 3 ? -11.330 24.157 -16.400 1.00 27.99 ? 18 GLY A O 1 ATOM 20 N N . GLY A 1 4 ? -9.799 22.918 -15.331 1.00 20.68 ? 19 GLY A N 1 ATOM 21 C CA . GLY A 1 4 ? -10.760 22.388 -14.374 1.00 20.10 ? 19 GLY A CA 1 ATOM 22 C C . GLY A 1 4 ? -10.998 23.341 -13.236 1.00 21.57 ? 19 GLY A C 1 ATOM 23 O O . GLY A 1 4 ? -10.342 24.386 -13.119 1.00 22.96 ? 19 GLY A O 1 ATOM 24 N N . THR A 1 5 ? -11.985 23.000 -12.427 1.00 15.68 ? 20 THR A N 1 ATOM 25 C CA . THR A 1 5 ? -12.259 23.772 -11.223 1.00 16.07 ? 20 THR A CA 1 ATOM 26 C C . THR A 1 5 ? -12.312 22.793 -10.060 1.00 17.28 ? 20 THR A C 1 ATOM 27 O O . THR A 1 5 ? -12.548 21.589 -10.256 1.00 15.37 ? 20 THR A O 1 ATOM 28 C CB . THR A 1 5 ? -13.509 24.629 -11.328 1.00 25.49 ? 20 THR A CB 1 ATOM 29 O OG1 . THR A 1 5 ? -14.623 23.789 -11.474 1.00 26.85 ? 20 THR A OG1 1 ATOM 30 C CG2 . THR A 1 5 ? -13.468 25.615 -12.487 1.00 26.92 ? 20 THR A CG2 1 ATOM 31 N N . ALA A 1 6 ? -12.062 23.306 -8.850 1.00 16.49 ? 21 ALA A N 1 ATOM 32 C CA . ALA A 1 6 ? -12.088 22.477 -7.671 1.00 16.44 ? 21 ALA A CA 1 ATOM 33 C C . ALA A 1 6 ? -13.454 21.841 -7.440 1.00 15.80 ? 21 ALA A C 1 ATOM 34 O O . ALA A 1 6 ? -14.514 22.463 -7.602 1.00 18.17 ? 21 ALA A O 1 ATOM 35 C CB . ALA A 1 6 ? -11.742 23.316 -6.450 1.00 17.44 ? 21 ALA A CB 1 ATOM 36 N N . SER A 1 7 ? -13.417 20.573 -6.997 1.00 13.17 ? 22 SER A N 1 ATOM 37 C CA . SER A 1 7 ? -14.603 19.860 -6.561 1.00 12.34 ? 22 SER A CA 1 ATOM 38 C C . SER A 1 7 ? -14.759 20.141 -5.056 1.00 15.39 ? 22 SER A C 1 ATOM 39 O O . SER A 1 7 ? -13.851 20.666 -4.412 1.00 15.16 ? 22 SER A O 1 ATOM 40 C CB . SER A 1 7 ? -14.417 18.354 -6.764 1.00 13.95 ? 22 SER A CB 1 ATOM 41 O OG . SER A 1 7 ? -14.239 18.104 -8.147 1.00 15.32 ? 22 SER A OG 1 ATOM 42 N N . VAL A 1 8 ? -15.901 19.756 -4.508 1.00 14.12 ? 23 VAL A N 1 ATOM 43 C CA . VAL A 1 8 ? -16.162 19.862 -3.081 1.00 14.03 ? 23 VAL A CA 1 ATOM 44 C C . VAL A 1 8 ? -16.255 18.469 -2.470 1.00 16.02 ? 23 VAL A C 1 ATOM 45 O O . VAL A 1 8 ? -16.473 17.464 -3.179 1.00 14.71 ? 23 VAL A O 1 ATOM 46 C CB . VAL A 1 8 ? -17.436 20.711 -2.772 1.00 17.29 ? 23 VAL A CB 1 ATOM 47 C CG1 . VAL A 1 8 ? -17.271 22.148 -3.276 1.00 16.98 ? 23 VAL A CG1 1 ATOM 48 C CG2 . VAL A 1 8 ? -18.723 20.060 -3.311 1.00 17.02 ? 23 VAL A CG2 1 ATOM 49 N N . ARG A 1 9 ? -16.197 18.406 -1.130 1.00 17.23 ? 24 ARG A N 1 ATOM 50 C CA . ARG A 1 9 ? -16.311 17.129 -0.433 1.00 17.48 ? 24 ARG A CA 1 ATOM 51 C C . ARG A 1 9 ? -17.649 16.483 -0.790 1.00 18.42 ? 24 ARG A C 1 ATOM 52 O O . ARG A 1 9 ? -18.691 17.157 -0.814 1.00 18.39 ? 24 ARG A O 1 ATOM 53 C CB . ARG A 1 9 ? -16.201 17.356 1.079 1.00 18.93 ? 24 ARG A CB 1 ATOM 54 C CG . ARG A 1 9 ? -15.868 16.117 1.860 1.00 33.11 ? 24 ARG A CG 1 ATOM 55 C CD . ARG A 1 9 ? -15.270 16.408 3.224 1.00 34.87 ? 24 ARG A CD 1 ATOM 56 N NE . ARG A 1 9 ? -14.073 17.262 3.171 1.00 43.93 ? 24 ARG A NE 1 ATOM 57 C CZ . ARG A 1 9 ? -12.841 16.844 2.879 1.00 52.97 ? 24 ARG A CZ 1 ATOM 58 N NH1 . ARG A 1 9 ? -12.622 15.579 2.537 1.00 31.24 ? 24 ARG A NH1 1 ATOM 59 N NH2 . ARG A 1 9 ? -11.826 17.700 2.883 1.00 44.88 ? 24 ARG A NH2 1 ATOM 60 N N . GLY A 1 10 ? -17.629 15.188 -1.096 1.00 15.70 ? 25 GLY A N 1 ATOM 61 C CA . GLY A 1 10 ? -18.820 14.437 -1.457 1.00 14.73 ? 25 GLY A CA 1 ATOM 62 C C . GLY A 1 10 ? -19.377 14.651 -2.847 1.00 16.46 ? 25 GLY A C 1 ATOM 63 O O . GLY A 1 10 ? -20.399 14.065 -3.191 1.00 16.96 ? 25 GLY A O 1 ATOM 64 N N . GLU A 1 11 ? -18.717 15.490 -3.671 1.00 13.87 ? 26 GLU A N 1 ATOM 65 C CA . GLU A 1 11 ? -19.254 15.756 -4.999 1.00 13.62 ? 26 GLU A CA 1 ATOM 66 C C . GLU A 1 11 ? -19.143 14.553 -5.953 1.00 15.71 ? 26 GLU A C 1 ATOM 67 O O . GLU A 1 11 ? -20.066 14.299 -6.708 1.00 16.64 ? 26 GLU A O 1 ATOM 68 C CB . GLU A 1 11 ? -18.548 16.991 -5.592 1.00 14.81 ? 26 GLU A CB 1 ATOM 69 C CG . GLU A 1 11 ? -19.127 17.441 -6.915 1.00 16.27 ? 26 GLU A CG 1 ATOM 70 C CD . GLU A 1 11 ? -18.633 18.790 -7.391 1.00 16.61 ? 26 GLU A CD 1 ATOM 71 O OE1 . GLU A 1 11 ? -17.732 19.382 -6.752 1.00 16.66 ? 26 GLU A OE1 1 ATOM 72 O OE2 . GLU A 1 11 ? -19.135 19.238 -8.441 1.00 17.77 ? 26 GLU A OE2 1 ATOM 73 N N . TRP A 1 12 ? -18.013 13.846 -5.926 1.00 13.92 ? 27 TRP A N 1 ATOM 74 C CA . TRP A 1 12 ? -17.761 12.702 -6.834 1.00 14.06 ? 27 TRP A CA 1 ATOM 75 C C . TRP A 1 12 ? -17.437 11.448 -6.000 1.00 13.58 ? 27 TRP A C 1 ATOM 76 O O . TRP A 1 12 ? -16.257 11.053 -5.899 1.00 13.03 ? 27 TRP A O 1 ATOM 77 C CB . TRP A 1 12 ? -16.569 13.042 -7.754 1.00 12.81 ? 27 TRP A CB 1 ATOM 78 C CG . TRP A 1 12 ? -16.741 14.333 -8.495 1.00 11.81 ? 27 TRP A CG 1 ATOM 79 C CD1 . TRP A 1 12 ? -16.134 15.516 -8.219 1.00 14.71 ? 27 TRP A CD1 1 ATOM 80 C CD2 . TRP A 1 12 ? -17.611 14.571 -9.607 1.00 11.84 ? 27 TRP A CD2 1 ATOM 81 N NE1 . TRP A 1 12 ? -16.537 16.472 -9.129 1.00 14.02 ? 27 TRP A NE1 1 ATOM 82 C CE2 . TRP A 1 12 ? -17.499 15.942 -9.938 1.00 14.64 ? 27 TRP A CE2 1 ATOM 83 C CE3 . TRP A 1 12 ? -18.517 13.771 -10.321 1.00 13.69 ? 27 TRP A CE3 1 ATOM 84 C CZ2 . TRP A 1 12 ? -18.186 16.506 -11.018 1.00 13.82 ? 27 TRP A CZ2 1 ATOM 85 C CZ3 . TRP A 1 12 ? -19.228 14.338 -11.363 1.00 14.98 ? 27 TRP A CZ3 1 ATOM 86 C CH2 . TRP A 1 12 ? -19.065 15.691 -11.697 1.00 15.09 ? 27 TRP A CH2 1 ATOM 87 N N . PRO A 1 13 ? -18.447 10.881 -5.310 1.00 11.69 ? 28 PRO A N 1 ATOM 88 C CA . PRO A 1 13 ? -18.171 9.845 -4.312 1.00 13.00 ? 28 PRO A CA 1 ATOM 89 C C . PRO A 1 13 ? -17.735 8.510 -4.889 1.00 13.09 ? 28 PRO A C 1 ATOM 90 O O . PRO A 1 13 ? -17.223 7.682 -4.134 1.00 12.99 ? 28 PRO A O 1 ATOM 91 C CB . PRO A 1 13 ? -19.466 9.755 -3.510 1.00 14.61 ? 28 PRO A CB 1 ATOM 92 C CG . PRO A 1 13 ? -20.540 10.162 -4.497 1.00 16.77 ? 28 PRO A CG 1 ATOM 93 C CD . PRO A 1 13 ? -19.868 11.319 -5.252 1.00 14.15 ? 28 PRO A CD 1 ATOM 94 N N . TRP A 1 14 ? -17.815 8.339 -6.218 1.00 11.04 ? 29 TRP A N 1 ATOM 95 C CA . TRP A 1 14 ? -17.276 7.130 -6.849 1.00 10.65 ? 29 TRP A CA 1 ATOM 96 C C . TRP A 1 14 ? -15.834 7.290 -7.236 1.00 11.59 ? 29 TRP A C 1 ATOM 97 O O . TRP A 1 14 ? -15.194 6.288 -7.531 1.00 11.28 ? 29 TRP A O 1 ATOM 98 C CB . TRP A 1 14 ? -18.102 6.737 -8.070 1.00 10.94 ? 29 TRP A CB 1 ATOM 99 C CG . TRP A 1 14 ? -18.328 7.864 -9.035 1.00 11.63 ? 29 TRP A CG 1 ATOM 100 C CD1 . TRP A 1 14 ? -17.589 8.151 -10.153 1.00 13.79 ? 29 TRP A CD1 1 ATOM 101 C CD2 . TRP A 1 14 ? -19.381 8.827 -8.992 1.00 12.02 ? 29 TRP A CD2 1 ATOM 102 N NE1 . TRP A 1 14 ? -18.094 9.279 -10.775 1.00 13.41 ? 29 TRP A NE1 1 ATOM 103 C CE2 . TRP A 1 14 ? -19.188 9.716 -10.083 1.00 14.27 ? 29 TRP A CE2 1 ATOM 104 C CE3 . TRP A 1 14 ? -20.470 9.034 -8.137 1.00 13.49 ? 29 TRP A CE3 1 ATOM 105 C CZ2 . TRP A 1 14 ? -20.109 10.732 -10.394 1.00 13.08 ? 29 TRP A CZ2 1 ATOM 106 C CZ3 . TRP A 1 14 ? -21.325 10.105 -8.393 1.00 14.85 ? 29 TRP A CZ3 1 ATOM 107 C CH2 . TRP A 1 14 ? -21.126 10.946 -9.499 1.00 15.16 ? 29 TRP A CH2 1 ATOM 108 N N . GLN A 1 15 ? -15.301 8.512 -7.231 1.00 9.90 ? 30 GLN A N 1 ATOM 109 C CA . GLN A 1 15 ? -13.911 8.714 -7.642 1.00 11.03 ? 30 GLN A CA 1 ATOM 110 C C . GLN A 1 15 ? -12.950 8.246 -6.554 1.00 11.75 ? 30 GLN A C 1 ATOM 111 O O . GLN A 1 15 ? -13.085 8.614 -5.377 1.00 13.39 ? 30 GLN A O 1 ATOM 112 C CB . GLN A 1 15 ? -13.651 10.212 -7.897 1.00 11.15 ? 30 GLN A CB 1 ATOM 113 C CG . GLN A 1 15 ? -12.149 10.565 -8.143 1.00 13.63 ? 30 GLN A CG 1 ATOM 114 C CD . GLN A 1 15 ? -11.746 10.445 -9.579 1.00 14.13 ? 30 GLN A CD 1 ATOM 115 O OE1 . GLN A 1 15 ? -12.319 11.099 -10.447 1.00 13.86 ? 30 GLN A OE1 1 ATOM 116 N NE2 . GLN A 1 15 ? -10.687 9.666 -9.867 1.00 12.11 ? 30 GLN A NE2 1 ATOM 117 N N . VAL A 1 16 ? -11.940 7.464 -6.976 1.00 10.60 ? 31 VAL A N 1 ATOM 118 C CA . VAL A 1 16 ? -10.852 7.059 -6.101 1.00 9.75 ? 31 VAL A CA 1 ATOM 119 C C . VAL A 1 16 ? -9.533 7.494 -6.663 1.00 11.39 ? 31 VAL A C 1 ATOM 120 O O . VAL A 1 16 ? -9.420 7.789 -7.864 1.00 11.89 ? 31 VAL A O 1 ATOM 121 C CB . VAL A 1 16 ? -10.839 5.533 -5.789 1.00 13.13 ? 31 VAL A CB 1 ATOM 122 C CG1 . VAL A 1 16 ? -12.158 5.080 -5.188 1.00 12.64 ? 31 VAL A CG1 1 ATOM 123 C CG2 . VAL A 1 16 ? -10.495 4.710 -7.025 1.00 14.09 ? 31 VAL A CG2 1 ATOM 124 N N . THR A 1 17 ? -8.532 7.563 -5.767 1.00 11.28 ? 32 THR A N 1 ATOM 125 C CA . THR A 1 17 ? -7.148 7.778 -6.150 1.00 11.51 ? 32 THR A CA 1 ATOM 126 C C . THR A 1 17 ? -6.449 6.463 -5.846 1.00 13.33 ? 32 THR A C 1 ATOM 127 O O . THR A 1 17 ? -6.524 5.956 -4.723 1.00 13.54 ? 32 THR A O 1 ATOM 128 C CB . THR A 1 17 ? -6.484 9.013 -5.465 1.00 14.84 ? 32 THR A CB 1 ATOM 129 O OG1 . THR A 1 17 ? -5.068 8.967 -5.639 1.00 13.82 ? 32 THR A OG1 1 ATOM 130 C CG2 . THR A 1 17 ? -6.787 9.133 -3.997 1.00 14.73 ? 32 THR A CG2 1 ATOM 131 N N . LEU A 1 18 ? -5.803 5.912 -6.874 1.00 11.88 ? 33 LEU A N 1 ATOM 132 C CA A LEU A 1 18 ? -5.068 4.671 -6.736 0.60 12.01 ? 33 LEU A CA 1 ATOM 133 C CA B LEU A 1 18 ? -5.052 4.668 -6.752 0.40 12.15 ? 33 LEU A CA 1 ATOM 134 C C . LEU A 1 18 ? -3.602 5.033 -6.546 1.00 14.52 ? 33 LEU A C 1 ATOM 135 O O . LEU A 1 18 ? -3.035 5.741 -7.377 1.00 14.12 ? 33 LEU A O 1 ATOM 136 C CB A LEU A 1 18 ? -5.258 3.807 -7.997 0.60 12.51 ? 33 LEU A CB 1 ATOM 137 C CB B LEU A 1 18 ? -5.169 3.805 -8.026 0.40 12.76 ? 33 LEU A CB 1 ATOM 138 C CG A LEU A 1 18 ? -4.462 2.509 -8.093 0.60 15.83 ? 33 LEU A CG 1 ATOM 139 C CG B LEU A 1 18 ? -6.560 3.524 -8.572 0.40 17.35 ? 33 LEU A CG 1 ATOM 140 C CD1 A LEU A 1 18 ? -4.823 1.522 -6.950 0.60 15.63 ? 33 LEU A CD1 1 ATOM 141 C CD1 B LEU A 1 18 ? -6.468 2.733 -9.853 0.40 18.48 ? 33 LEU A CD1 1 ATOM 142 C CD2 A LEU A 1 18 ? -4.730 1.838 -9.442 0.60 18.85 ? 33 LEU A CD2 1 ATOM 143 C CD2 B LEU A 1 18 ? -7.421 2.820 -7.566 0.40 20.96 ? 33 LEU A CD2 1 ATOM 144 N N . HIS A 1 19 ? -3.022 4.577 -5.429 1.00 14.50 ? 34 HIS A N 1 ATOM 145 C CA . HIS A 1 19 ? -1.607 4.828 -5.139 1.00 14.57 ? 34 HIS A CA 1 ATOM 146 C C . HIS A 1 19 ? -0.822 3.553 -5.284 1.00 17.71 ? 34 HIS A C 1 ATOM 147 O O . HIS A 1 19 ? -1.334 2.475 -5.030 1.00 16.30 ? 34 HIS A O 1 ATOM 148 C CB . HIS A 1 19 ? -1.457 5.329 -3.691 1.00 15.65 ? 34 HIS A CB 1 ATOM 149 C CG . HIS A 1 19 ? -1.776 6.779 -3.513 1.00 17.20 ? 34 HIS A CG 1 ATOM 150 N ND1 . HIS A 1 19 ? -1.027 7.592 -2.672 1.00 18.96 ? 34 HIS A ND1 1 ATOM 151 C CD2 . HIS A 1 19 ? -2.760 7.528 -4.079 1.00 17.47 ? 34 HIS A CD2 1 ATOM 152 C CE1 . HIS A 1 19 ? -1.563 8.800 -2.765 1.00 18.62 ? 34 HIS A CE1 1 ATOM 153 N NE2 . HIS A 1 19 ? -2.627 8.807 -3.576 1.00 17.44 ? 34 HIS A NE2 1 ATOM 154 N N . THR A 1 20 ? 0.451 3.703 -5.626 1.00 17.86 ? 35 THR A N 1 ATOM 155 C CA . THR A 1 20 ? 1.403 2.599 -5.588 1.00 19.40 ? 35 THR A CA 1 ATOM 156 C C . THR A 1 20 ? 2.309 2.935 -4.381 1.00 24.74 ? 35 THR A C 1 ATOM 157 O O . THR A 1 20 ? 2.525 4.127 -4.158 1.00 24.79 ? 35 THR A O 1 ATOM 158 C CB . THR A 1 20 ? 2.151 2.476 -6.924 1.00 26.13 ? 35 THR A CB 1 ATOM 159 O OG1 . THR A 1 20 ? 3.108 1.436 -6.771 1.00 30.78 ? 35 THR A OG1 1 ATOM 160 C CG2 . THR A 1 20 ? 2.852 3.771 -7.360 1.00 25.35 ? 35 THR A CG2 1 ATOM 161 N N . THR A 1 21 ? 2.777 1.941 -3.565 1.00 22.96 ? 36 THR A N 1 ATOM 162 C CA . THR A 1 21 ? 3.688 2.191 -2.431 1.00 23.77 ? 36 THR A CA 1 ATOM 163 C C . THR A 1 21 ? 5.143 1.932 -2.787 1.00 33.23 ? 36 THR A C 1 ATOM 164 O O . THR A 1 21 ? 6.013 2.240 -1.969 1.00 32.66 ? 36 THR A O 1 ATOM 165 C CB . THR A 1 21 ? 3.212 1.236 -1.310 1.00 31.27 ? 36 THR A CB 1 ATOM 166 O OG1 . THR A 1 21 ? 3.472 -0.113 -1.680 1.00 30.06 ? 36 THR A OG1 1 ATOM 167 C CG2 . THR A 1 21 ? 1.756 1.448 -0.860 1.00 30.41 ? 36 THR A CG2 1 ATOM 168 N N . SER A 1 22 A 5.422 1.368 -3.978 1.00 31.66 ? 36 SER A N 1 ATOM 169 C CA . SER A 1 22 A 6.754 1.031 -4.482 1.00 33.01 ? 36 SER A CA 1 ATOM 170 C C . SER A 1 22 A 7.191 1.906 -5.666 1.00 37.40 ? 36 SER A C 1 ATOM 171 O O . SER A 1 22 A 6.444 2.022 -6.635 1.00 38.49 ? 36 SER A O 1 ATOM 172 C CB . SER A 1 22 A 6.621 -0.454 -4.837 1.00 38.76 ? 36 SER A CB 1 ATOM 173 O OG . SER A 1 22 A 7.744 -0.900 -5.581 1.00 53.63 ? 36 SER A OG 1 ATOM 174 N N . PRO A 1 23 B 8.411 2.499 -5.642 1.00 33.17 ? 36 PRO A N 1 ATOM 175 C CA . PRO A 1 23 B 9.420 2.464 -4.558 1.00 32.16 ? 36 PRO A CA 1 ATOM 176 C C . PRO A 1 23 B 9.031 3.329 -3.359 1.00 33.16 ? 36 PRO A C 1 ATOM 177 O O . PRO A 1 23 B 9.448 3.038 -2.238 1.00 33.51 ? 36 PRO A O 1 ATOM 178 C CB . PRO A 1 23 B 10.684 2.971 -5.262 1.00 33.89 ? 36 PRO A CB 1 ATOM 179 C CG . PRO A 1 23 B 10.175 3.917 -6.310 1.00 37.92 ? 36 PRO A CG 1 ATOM 180 C CD . PRO A 1 23 B 8.871 3.324 -6.784 1.00 34.53 ? 36 PRO A CD 1 ATOM 181 N N . THR A 1 24 ? 8.229 4.395 -3.603 1.00 26.15 ? 37 THR A N 1 ATOM 182 C CA . THR A 1 24 ? 7.704 5.333 -2.604 1.00 25.77 ? 37 THR A CA 1 ATOM 183 C C . THR A 1 24 ? 6.220 5.565 -2.929 1.00 29.97 ? 37 THR A C 1 ATOM 184 O O . THR A 1 24 ? 5.802 5.396 -4.090 1.00 29.64 ? 37 THR A O 1 ATOM 185 C CB . THR A 1 24 ? 8.481 6.663 -2.602 1.00 34.95 ? 37 THR A CB 1 ATOM 186 O OG1 . THR A 1 24 ? 8.481 7.219 -3.918 1.00 35.80 ? 37 THR A OG1 1 ATOM 187 C CG2 . THR A 1 24 ? 9.916 6.515 -2.086 1.00 32.92 ? 37 THR A CG2 1 ATOM 188 N N . GLN A 1 25 ? 5.428 5.950 -1.923 1.00 25.20 ? 38 GLN A N 1 ATOM 189 C CA . GLN A 1 25 ? 4.007 6.124 -2.169 1.00 23.81 ? 38 GLN A CA 1 ATOM 190 C C . GLN A 1 25 ? 3.688 7.365 -3.003 1.00 26.23 ? 38 GLN A C 1 ATOM 191 O O . GLN A 1 25 ? 4.131 8.471 -2.704 1.00 24.44 ? 38 GLN A O 1 ATOM 192 C CB . GLN A 1 25 ? 3.185 6.081 -0.882 1.00 24.24 ? 38 GLN A CB 1 ATOM 193 C CG . GLN A 1 25 ? 1.697 5.829 -1.158 1.00 24.30 ? 38 GLN A CG 1 ATOM 194 C CD . GLN A 1 25 ? 0.868 5.775 0.099 1.00 33.11 ? 38 GLN A CD 1 ATOM 195 O OE1 . GLN A 1 25 ? 1.274 5.222 1.135 1.00 29.04 ? 38 GLN A OE1 1 ATOM 196 N NE2 . GLN A 1 25 ? -0.356 6.259 0.013 1.00 25.21 ? 38 GLN A NE2 1 ATOM 197 N N . ARG A 1 26 ? 2.867 7.168 -4.061 1.00 21.10 ? 39 ARG A N 1 ATOM 198 C CA . ARG A 1 26 ? 2.429 8.284 -4.881 1.00 20.31 ? 39 ARG A CA 1 ATOM 199 C C . ARG A 1 26 ? 1.150 7.894 -5.606 1.00 18.95 ? 39 ARG A C 1 ATOM 200 O O . ARG A 1 26 ? 0.884 6.701 -5.814 1.00 17.52 ? 39 ARG A O 1 ATOM 201 C CB . ARG A 1 26 ? 3.502 8.728 -5.907 1.00 22.93 ? 39 ARG A CB 1 ATOM 202 C CG . ARG A 1 26 ? 3.950 7.634 -6.869 1.00 35.58 ? 39 ARG A CG 1 ATOM 203 C CD . ARG A 1 26 ? 4.881 8.161 -7.944 1.00 50.53 ? 39 ARG A CD 1 ATOM 204 N NE . ARG A 1 26 ? 4.868 7.293 -9.124 1.00 66.48 ? 39 ARG A NE 1 ATOM 205 C CZ . ARG A 1 26 ? 4.841 7.724 -10.383 1.00 81.33 ? 39 ARG A CZ 1 ATOM 206 N NH1 . ARG A 1 26 ? 4.853 9.025 -10.648 1.00 65.27 ? 39 ARG A NH1 1 ATOM 207 N NH2 . ARG A 1 26 ? 4.811 6.857 -11.385 1.00 71.74 ? 39 ARG A NH2 1 ATOM 208 N N . HIS A 1 27 ? 0.356 8.914 -5.952 1.00 16.01 ? 40 HIS A N 1 ATOM 209 C CA . HIS A 1 27 ? -0.819 8.746 -6.819 1.00 14.24 ? 40 HIS A CA 1 ATOM 210 C C . HIS A 1 27 ? -0.331 8.160 -8.141 1.00 17.76 ? 40 HIS A C 1 ATOM 211 O O . HIS A 1 27 ? 0.646 8.637 -8.734 1.00 16.60 ? 40 HIS A O 1 ATOM 212 C CB . HIS A 1 27 ? -1.451 10.122 -7.054 1.00 13.06 ? 40 HIS A CB 1 ATOM 213 C CG . HIS A 1 27 ? -2.491 10.148 -8.148 1.00 14.16 ? 40 HIS A CG 1 ATOM 214 N ND1 . HIS A 1 27 ? -3.824 9.813 -7.901 1.00 13.68 ? 40 HIS A ND1 1 ATOM 215 C CD2 . HIS A 1 27 ? -2.368 10.512 -9.443 1.00 15.38 ? 40 HIS A CD2 1 ATOM 216 C CE1 . HIS A 1 27 ? -4.445 9.941 -9.062 1.00 13.77 ? 40 HIS A CE1 1 ATOM 217 N NE2 . HIS A 1 27 ? -3.616 10.380 -10.018 1.00 14.80 ? 40 HIS A NE2 1 ATOM 218 N N . LEU A 1 28 ? -1.044 7.127 -8.634 1.00 15.49 ? 41 LEU A N 1 ATOM 219 C CA . LEU A 1 28 ? -0.732 6.480 -9.894 1.00 14.75 ? 41 LEU A CA 1 ATOM 220 C C . LEU A 1 28 ? -1.800 6.832 -10.940 1.00 16.49 ? 41 LEU A C 1 ATOM 221 O O . LEU A 1 28 ? -1.483 7.208 -12.088 1.00 15.40 ? 41 LEU A O 1 ATOM 222 C CB . LEU A 1 28 ? -0.713 4.951 -9.653 1.00 15.51 ? 41 LEU A CB 1 ATOM 223 C CG . LEU A 1 28 ? -0.490 4.072 -10.900 1.00 20.62 ? 41 LEU A CG 1 ATOM 224 C CD1 . LEU A 1 28 ? 0.833 4.375 -11.593 1.00 22.26 ? 41 LEU A CD1 1 ATOM 225 C CD2 . LEU A 1 28 ? -0.587 2.619 -10.548 1.00 21.62 ? 41 LEU A CD2 1 ATOM 226 N N . CYS A 1 29 ? -3.083 6.641 -10.550 1.00 12.45 ? 42 CYS A N 1 ATOM 227 C CA . CYS A 1 29 ? -4.190 6.730 -11.507 1.00 13.94 ? 42 CYS A CA 1 ATOM 228 C C . CYS A 1 29 ? -5.481 7.019 -10.770 1.00 13.17 ? 42 CYS A C 1 ATOM 229 O O . CYS A 1 29 ? -5.544 6.835 -9.562 1.00 12.19 ? 42 CYS A O 1 ATOM 230 C CB . CYS A 1 29 ? -4.333 5.385 -12.222 1.00 16.11 ? 42 CYS A CB 1 ATOM 231 S SG . CYS A 1 29 ? -3.312 5.217 -13.702 1.00 19.03 ? 42 CYS A SG 1 ATOM 232 N N . GLY A 1 30 ? -6.484 7.431 -11.540 1.00 10.55 ? 43 GLY A N 1 ATOM 233 C CA . GLY A 1 30 ? -7.838 7.483 -10.987 1.00 9.97 ? 43 GLY A CA 1 ATOM 234 C C . GLY A 1 30 ? -8.534 6.134 -11.153 1.00 13.06 ? 43 GLY A C 1 ATOM 235 O O . GLY A 1 30 ? -8.034 5.199 -11.785 1.00 12.91 ? 43 GLY A O 1 ATOM 236 N N . GLY A 1 31 ? -9.721 6.034 -10.571 1.00 10.57 ? 44 GLY A N 1 ATOM 237 C CA . GLY A 1 31 ? -10.576 4.862 -10.710 1.00 10.03 ? 44 GLY A CA 1 ATOM 238 C C . GLY A 1 31 ? -11.975 5.227 -10.251 1.00 10.92 ? 44 GLY A C 1 ATOM 239 O O . GLY A 1 31 ? -12.210 6.304 -9.687 1.00 10.59 ? 44 GLY A O 1 ATOM 240 N N . SER A 1 32 ? -12.909 4.278 -10.452 1.00 9.78 ? 45 SER A N 1 ATOM 241 C CA . SER A 1 32 ? -14.299 4.489 -10.023 1.00 9.23 ? 45 SER A CA 1 ATOM 242 C C . SER A 1 32 ? -14.806 3.293 -9.245 1.00 10.45 ? 45 SER A C 1 ATOM 243 O O . SER A 1 32 ? -14.665 2.139 -9.690 1.00 11.24 ? 45 SER A O 1 ATOM 244 C CB . SER A 1 32 ? -15.196 4.622 -11.248 1.00 10.70 ? 45 SER A CB 1 ATOM 245 O OG . SER A 1 32 ? -14.844 5.783 -11.986 1.00 13.33 ? 45 SER A OG 1 ATOM 246 N N . ILE A 1 33 ? -15.487 3.567 -8.118 1.00 9.46 ? 46 ILE A N 1 ATOM 247 C CA . ILE A 1 33 ? -16.182 2.480 -7.405 1.00 8.95 ? 46 ILE A CA 1 ATOM 248 C C . ILE A 1 33 ? -17.386 2.067 -8.264 1.00 12.46 ? 46 ILE A C 1 ATOM 249 O O . ILE A 1 33 ? -18.226 2.917 -8.579 1.00 11.93 ? 46 ILE A O 1 ATOM 250 C CB . ILE A 1 33 ? -16.687 2.973 -6.041 1.00 12.51 ? 46 ILE A CB 1 ATOM 251 C CG1 . ILE A 1 33 ? -15.478 3.416 -5.165 1.00 12.35 ? 46 ILE A CG1 1 ATOM 252 C CG2 . ILE A 1 33 ? -17.507 1.843 -5.338 1.00 12.82 ? 46 ILE A CG2 1 ATOM 253 C CD1 . ILE A 1 33 ? -15.878 4.229 -3.909 1.00 12.23 ? 46 ILE A CD1 1 ATOM 254 N N . ILE A 1 34 ? -17.501 0.769 -8.582 1.00 10.70 ? 47 ILE A N 1 ATOM 255 C CA . ILE A 1 34 ? -18.678 0.291 -9.318 1.00 11.21 ? 47 ILE A CA 1 ATOM 256 C C . ILE A 1 34 ? -19.450 -0.782 -8.580 1.00 14.91 ? 47 ILE A C 1 ATOM 257 O O . ILE A 1 34 ? -20.520 -1.227 -9.033 1.00 15.88 ? 47 ILE A O 1 ATOM 258 C CB . ILE A 1 34 ? -18.313 -0.168 -10.749 1.00 12.73 ? 47 ILE A CB 1 ATOM 259 C CG1 . ILE A 1 34 ? -17.300 -1.337 -10.723 1.00 12.81 ? 47 ILE A CG1 1 ATOM 260 C CG2 . ILE A 1 34 ? -17.754 1.001 -11.559 1.00 13.62 ? 47 ILE A CG2 1 ATOM 261 C CD1 . ILE A 1 34 ? -17.377 -2.211 -12.000 1.00 16.71 ? 47 ILE A CD1 1 ATOM 262 N N . GLY A 1 35 ? -18.882 -1.246 -7.485 1.00 14.26 ? 48 GLY A N 1 ATOM 263 C CA . GLY A 1 35 ? -19.523 -2.307 -6.723 1.00 16.73 ? 48 GLY A CA 1 ATOM 264 C C . GLY A 1 35 ? -18.886 -2.396 -5.371 1.00 18.98 ? 48 GLY A C 1 ATOM 265 O O . GLY A 1 35 ? -17.903 -1.697 -5.098 1.00 15.99 ? 48 GLY A O 1 ATOM 266 N N . ASN A 1 36 ? -19.460 -3.286 -4.535 1.00 20.11 ? 49 ASN A N 1 ATOM 267 C CA . ASN A 1 36 ? -19.050 -3.525 -3.156 1.00 21.79 ? 49 ASN A CA 1 ATOM 268 C C . ASN A 1 36 ? -17.583 -3.814 -2.975 1.00 21.36 ? 49 ASN A C 1 ATOM 269 O O . ASN A 1 36 ? -17.041 -3.488 -1.937 1.00 22.68 ? 49 ASN A O 1 ATOM 270 C CB . ASN A 1 36 ? -19.900 -4.647 -2.512 1.00 28.95 ? 49 ASN A CB 1 ATOM 271 C CG . ASN A 1 36 ? -19.749 -6.043 -3.095 1.00 42.25 ? 49 ASN A CG 1 ATOM 272 O OD1 . ASN A 1 36 ? -19.082 -6.292 -4.109 1.00 41.19 ? 49 ASN A OD1 1 ATOM 273 N ND2 . ASN A 1 36 ? -20.395 -7.002 -2.459 1.00 46.02 ? 49 ASN A ND2 1 ATOM 274 N N . GLN A 1 37 ? -16.914 -4.429 -3.942 1.00 14.84 ? 50 GLN A N 1 ATOM 275 C CA . GLN A 1 37 ? -15.492 -4.689 -3.749 1.00 13.93 ? 50 GLN A CA 1 ATOM 276 C C . GLN A 1 37 ? -14.753 -4.444 -5.062 1.00 14.83 ? 50 GLN A C 1 ATOM 277 O O . GLN A 1 37 ? -13.729 -5.073 -5.323 1.00 15.00 ? 50 GLN A O 1 ATOM 278 C CB . GLN A 1 37 ? -15.259 -6.132 -3.230 1.00 18.15 ? 50 GLN A CB 1 ATOM 279 C CG . GLN A 1 37 ? -15.784 -7.216 -4.142 1.00 23.60 ? 50 GLN A CG 1 ATOM 280 C CD . GLN A 1 37 ? -15.517 -8.592 -3.546 1.00 43.33 ? 50 GLN A CD 1 ATOM 281 O OE1 . GLN A 1 37 ? -14.729 -8.758 -2.607 1.00 42.23 ? 50 GLN A OE1 1 ATOM 282 N NE2 . GLN A 1 37 ? -16.184 -9.601 -4.071 1.00 35.88 ? 50 GLN A NE2 1 ATOM 283 N N . TRP A 1 38 ? -15.281 -3.525 -5.892 1.00 12.53 ? 51 TRP A N 1 ATOM 284 C CA . TRP A 1 38 ? -14.764 -3.385 -7.242 1.00 12.92 ? 51 TRP A CA 1 ATOM 285 C C . TRP A 1 38 ? -14.512 -1.961 -7.665 1.00 12.13 ? 51 TRP A C 1 ATOM 286 O O . TRP A 1 38 ? -15.416 -1.128 -7.578 1.00 12.40 ? 51 TRP A O 1 ATOM 287 C CB . TRP A 1 38 ? -15.805 -3.963 -8.227 1.00 13.20 ? 51 TRP A CB 1 ATOM 288 C CG . TRP A 1 38 ? -16.003 -5.435 -8.041 1.00 14.00 ? 51 TRP A CG 1 ATOM 289 C CD1 . TRP A 1 38 ? -17.037 -6.059 -7.400 1.00 16.76 ? 51 TRP A CD1 1 ATOM 290 C CD2 . TRP A 1 38 ? -15.080 -6.463 -8.415 1.00 13.41 ? 51 TRP A CD2 1 ATOM 291 N NE1 . TRP A 1 38 ? -16.844 -7.427 -7.424 1.00 15.69 ? 51 TRP A NE1 1 ATOM 292 C CE2 . TRP A 1 38 ? -15.646 -7.699 -8.020 1.00 15.21 ? 51 TRP A CE2 1 ATOM 293 C CE3 . TRP A 1 38 ? -13.853 -6.466 -9.089 1.00 15.34 ? 51 TRP A CE3 1 ATOM 294 C CZ2 . TRP A 1 38 ? -15.024 -8.926 -8.303 1.00 16.23 ? 51 TRP A CZ2 1 ATOM 295 C CZ3 . TRP A 1 38 ? -13.247 -7.673 -9.378 1.00 17.48 ? 51 TRP A CZ3 1 ATOM 296 C CH2 . TRP A 1 38 ? -13.829 -8.888 -8.977 1.00 17.76 ? 51 TRP A CH2 1 ATOM 297 N N . ILE A 1 39 ? -13.324 -1.754 -8.232 1.00 10.96 ? 52 ILE A N 1 ATOM 298 C CA . ILE A 1 39 ? -12.934 -0.472 -8.835 1.00 10.46 ? 52 ILE A CA 1 ATOM 299 C C . ILE A 1 39 ? -12.721 -0.704 -10.318 1.00 12.72 ? 52 ILE A C 1 ATOM 300 O O . ILE A 1 39 ? -12.023 -1.641 -10.680 1.00 12.56 ? 52 ILE A O 1 ATOM 301 C CB . ILE A 1 39 ? -11.607 0.056 -8.238 1.00 11.79 ? 52 ILE A CB 1 ATOM 302 C CG1 . ILE A 1 39 ? -11.639 0.158 -6.697 1.00 13.02 ? 52 ILE A CG1 1 ATOM 303 C CG2 . ILE A 1 39 ? -11.188 1.391 -8.862 1.00 13.33 ? 52 ILE A CG2 1 ATOM 304 C CD1 . ILE A 1 39 ? -12.721 1.132 -6.086 1.00 13.02 ? 52 ILE A CD1 1 ATOM 305 N N . LEU A 1 40 ? -13.285 0.159 -11.176 1.00 11.41 ? 53 LEU A N 1 ATOM 306 C CA . LEU A 1 40 ? -13.055 0.090 -12.608 1.00 10.95 ? 53 LEU A CA 1 ATOM 307 C C . LEU A 1 40 ? -12.021 1.181 -12.937 1.00 11.72 ? 53 LEU A C 1 ATOM 308 O O . LEU A 1 40 ? -12.151 2.343 -12.531 1.00 11.48 ? 53 LEU A O 1 ATOM 309 C CB . LEU A 1 40 ? -14.374 0.313 -13.370 1.00 10.88 ? 53 LEU A CB 1 ATOM 310 C CG . LEU A 1 40 ? -14.314 0.011 -14.888 1.00 14.09 ? 53 LEU A CG 1 ATOM 311 C CD1 . LEU A 1 40 ? -14.055 -1.457 -15.127 1.00 14.32 ? 53 LEU A CD1 1 ATOM 312 C CD2 . LEU A 1 40 ? -15.607 0.445 -15.578 1.00 15.10 ? 53 LEU A CD2 1 ATOM 313 N N . THR A 1 41 ? -10.985 0.811 -13.710 1.00 10.20 ? 54 THR A N 1 ATOM 314 C CA . THR A 1 41 ? -9.929 1.745 -14.030 1.00 10.16 ? 54 THR A CA 1 ATOM 315 C C . THR A 1 41 ? -9.353 1.376 -15.413 1.00 11.83 ? 54 THR A C 1 ATOM 316 O O . THR A 1 41 ? -9.983 0.596 -16.158 1.00 10.98 ? 54 THR A O 1 ATOM 317 C CB . THR A 1 41 ? -8.899 1.790 -12.868 1.00 12.88 ? 54 THR A CB 1 ATOM 318 O OG1 . THR A 1 41 ? -7.895 2.792 -13.129 1.00 13.04 ? 54 THR A OG1 1 ATOM 319 C CG2 . THR A 1 41 ? -8.215 0.430 -12.596 1.00 16.22 ? 54 THR A CG2 1 ATOM 320 N N . ALA A 1 42 ? -8.204 1.970 -15.760 1.00 10.41 ? 55 ALA A N 1 ATOM 321 C CA . ALA A 1 42 ? -7.576 1.727 -17.066 1.00 10.72 ? 55 ALA A CA 1 ATOM 322 C C . ALA A 1 42 ? -6.506 0.664 -16.952 1.00 12.93 ? 55 ALA A C 1 ATOM 323 O O . ALA A 1 42 ? -5.721 0.655 -15.988 1.00 13.86 ? 55 ALA A O 1 ATOM 324 C CB . ALA A 1 42 ? -6.948 3.002 -17.596 1.00 12.51 ? 55 ALA A CB 1 ATOM 325 N N . ALA A 1 43 ? -6.423 -0.214 -17.968 1.00 12.42 ? 56 ALA A N 1 ATOM 326 C CA . ALA A 1 43 ? -5.389 -1.255 -17.946 1.00 13.75 ? 56 ALA A CA 1 ATOM 327 C C . ALA A 1 43 ? -3.963 -0.676 -18.033 1.00 14.97 ? 56 ALA A C 1 ATOM 328 O O . ALA A 1 43 ? -3.038 -1.247 -17.424 1.00 15.43 ? 56 ALA A O 1 ATOM 329 C CB . ALA A 1 43 ? -5.607 -2.187 -19.118 1.00 14.14 ? 56 ALA A CB 1 ATOM 330 N N . HIS A 1 44 ? -3.782 0.444 -18.749 1.00 13.08 ? 57 HIS A N 1 ATOM 331 C CA . HIS A 1 44 ? -2.456 1.038 -18.945 1.00 13.69 ? 57 HIS A CA 1 ATOM 332 C C . HIS A 1 44 ? -1.794 1.473 -17.638 1.00 17.87 ? 57 HIS A C 1 ATOM 333 O O . HIS A 1 44 ? -0.571 1.604 -17.557 1.00 17.74 ? 57 HIS A O 1 ATOM 334 C CB . HIS A 1 44 ? -2.466 2.169 -19.974 1.00 15.11 ? 57 HIS A CB 1 ATOM 335 C CG . HIS A 1 44 ? -3.053 3.431 -19.458 1.00 17.02 ? 57 HIS A CG 1 ATOM 336 N ND1 . HIS A 1 44 ? -4.222 3.932 -19.978 1.00 17.97 ? 57 HIS A ND1 1 ATOM 337 C CD2 . HIS A 1 44 ? -2.631 4.243 -18.464 1.00 18.49 ? 57 HIS A CD2 1 ATOM 338 C CE1 . HIS A 1 44 ? -4.469 5.041 -19.306 1.00 17.83 ? 57 HIS A CE1 1 ATOM 339 N NE2 . HIS A 1 44 ? -3.559 5.257 -18.374 1.00 17.92 ? 57 HIS A NE2 1 ATOM 340 N N . CYS A 1 45 ? -2.609 1.650 -16.584 1.00 15.26 ? 58 CYS A N 1 ATOM 341 C CA . CYS A 1 45 ? -2.113 2.059 -15.266 1.00 15.90 ? 58 CYS A CA 1 ATOM 342 C C . CYS A 1 45 ? -1.158 1.070 -14.627 1.00 19.25 ? 58 CYS A C 1 ATOM 343 O O . CYS A 1 45 ? -0.373 1.444 -13.744 1.00 18.69 ? 58 CYS A O 1 ATOM 344 C CB . CYS A 1 45 ? -3.287 2.298 -14.331 1.00 16.35 ? 58 CYS A CB 1 ATOM 345 S SG . CYS A 1 45 ? -4.245 3.767 -14.739 1.00 19.55 ? 58 CYS A SG 1 ATOM 346 N N . PHE A 1 46 A -1.289 -0.199 -15.001 1.00 16.94 ? 58 PHE A N 1 ATOM 347 C CA . PHE A 1 46 A -0.546 -1.287 -14.357 1.00 17.35 ? 58 PHE A CA 1 ATOM 348 C C . PHE A 1 46 A 0.712 -1.689 -15.083 1.00 23.26 ? 58 PHE A C 1 ATOM 349 O O . PHE A 1 46 A 1.324 -2.682 -14.687 1.00 23.47 ? 58 PHE A O 1 ATOM 350 C CB . PHE A 1 46 A -1.496 -2.487 -14.138 1.00 18.65 ? 58 PHE A CB 1 ATOM 351 C CG . PHE A 1 46 A -2.674 -1.975 -13.357 1.00 18.94 ? 58 PHE A CG 1 ATOM 352 C CD1 . PHE A 1 46 A -2.542 -1.640 -12.014 1.00 21.63 ? 58 PHE A CD1 1 ATOM 353 C CD2 . PHE A 1 46 A -3.878 -1.711 -13.990 1.00 19.33 ? 58 PHE A CD2 1 ATOM 354 C CE1 . PHE A 1 46 A -3.601 -1.055 -11.318 1.00 22.37 ? 58 PHE A CE1 1 ATOM 355 C CE2 . PHE A 1 46 A -4.935 -1.124 -13.302 1.00 21.44 ? 58 PHE A CE2 1 ATOM 356 C CZ . PHE A 1 46 A -4.795 -0.807 -11.968 1.00 21.07 ? 58 PHE A CZ 1 ATOM 357 N N . TYR A 1 47 B 1.154 -0.890 -16.056 1.00 21.79 ? 58 TYR A N 1 ATOM 358 C CA . TYR A 1 47 B 2.392 -1.214 -16.771 1.00 25.02 ? 58 TYR A CA 1 ATOM 359 C C . TYR A 1 47 B 3.568 -1.477 -15.817 1.00 31.47 ? 58 TYR A C 1 ATOM 360 O O . TYR A 1 47 B 4.173 -2.557 -15.885 1.00 32.60 ? 58 TYR A O 1 ATOM 361 C CB . TYR A 1 47 B 2.742 -0.131 -17.799 1.00 27.77 ? 58 TYR A CB 1 ATOM 362 C CG . TYR A 1 47 B 3.964 -0.496 -18.613 1.00 33.21 ? 58 TYR A CG 1 ATOM 363 C CD1 . TYR A 1 47 B 3.877 -1.397 -19.670 1.00 35.82 ? 58 TYR A CD1 1 ATOM 364 C CD2 . TYR A 1 47 B 5.220 -0.010 -18.272 1.00 35.80 ? 58 TYR A CD2 1 ATOM 365 C CE1 . TYR A 1 47 B 5.010 -1.785 -20.385 1.00 38.06 ? 58 TYR A CE1 1 ATOM 366 C CE2 . TYR A 1 47 B 6.359 -0.401 -18.968 1.00 37.49 ? 58 TYR A CE2 1 ATOM 367 C CZ . TYR A 1 47 B 6.248 -1.275 -20.035 1.00 47.59 ? 58 TYR A CZ 1 ATOM 368 O OH . TYR A 1 47 B 7.376 -1.647 -20.729 1.00 52.06 ? 58 TYR A OH 1 ATOM 369 N N . GLY A 1 48 ? 3.863 -0.531 -14.933 1.00 30.29 ? 59 GLY A N 1 ATOM 370 C CA . GLY A 1 48 ? 4.978 -0.713 -13.995 1.00 33.15 ? 59 GLY A CA 1 ATOM 371 C C . GLY A 1 48 ? 4.621 -1.275 -12.630 1.00 40.64 ? 59 GLY A C 1 ATOM 372 O O . GLY A 1 48 ? 5.332 -0.998 -11.658 1.00 43.25 ? 59 GLY A O 1 ATOM 373 N N . VAL A 1 49 ? 3.531 -2.074 -12.527 1.00 33.87 ? 60 VAL A N 1 ATOM 374 C CA . VAL A 1 49 ? 3.061 -2.590 -11.231 1.00 30.87 ? 60 VAL A CA 1 ATOM 375 C C . VAL A 1 49 ? 3.426 -4.058 -11.031 1.00 34.97 ? 60 VAL A C 1 ATOM 376 O O . VAL A 1 49 ? 2.882 -4.941 -11.708 1.00 35.04 ? 60 VAL A O 1 ATOM 377 C CB . VAL A 1 49 ? 1.552 -2.297 -11.036 1.00 32.22 ? 60 VAL A CB 1 ATOM 378 C CG1 . VAL A 1 49 ? 1.023 -2.886 -9.724 1.00 31.12 ? 60 VAL A CG1 1 ATOM 379 C CG2 . VAL A 1 49 ? 1.296 -0.786 -11.076 1.00 32.13 ? 60 VAL A CG2 1 ATOM 380 N N . GLU A 1 50 ? 4.335 -4.306 -10.055 1.00 31.76 ? 61 GLU A N 1 ATOM 381 C CA . GLU A 1 50 ? 4.870 -5.630 -9.717 1.00 31.94 ? 61 GLU A CA 1 ATOM 382 C C . GLU A 1 50 ? 3.829 -6.636 -9.218 1.00 36.39 ? 61 GLU A C 1 ATOM 383 O O . GLU A 1 50 ? 3.908 -7.804 -9.599 1.00 38.48 ? 61 GLU A O 1 ATOM 384 C CB . GLU A 1 50 ? 6.024 -5.512 -8.704 1.00 33.72 ? 61 GLU A CB 1 ATOM 385 N N . SER A 1 51 ? 2.887 -6.216 -8.350 1.00 29.91 ? 62 SER A N 1 ATOM 386 C CA . SER A 1 51 ? 1.878 -7.102 -7.768 1.00 28.58 ? 62 SER A CA 1 ATOM 387 C C . SER A 1 51 ? 0.724 -6.272 -7.129 1.00 28.45 ? 62 SER A C 1 ATOM 388 O O . SER A 1 51 ? 0.920 -5.075 -6.916 1.00 27.86 ? 62 SER A O 1 ATOM 389 C CB . SER A 1 51 ? 2.522 -8.006 -6.712 1.00 32.75 ? 62 SER A CB 1 ATOM 390 O OG . SER A 1 51 ? 2.366 -7.546 -5.381 1.00 34.38 ? 62 SER A OG 1 ATOM 391 N N . PRO A 1 52 ? -0.439 -6.874 -6.773 1.00 26.02 ? 63 PRO A N 1 ATOM 392 C CA . PRO A 1 52 ? -1.514 -6.082 -6.145 1.00 24.29 ? 63 PRO A CA 1 ATOM 393 C C . PRO A 1 52 ? -1.177 -5.619 -4.721 1.00 26.49 ? 63 PRO A C 1 ATOM 394 O O . PRO A 1 52 ? -1.810 -4.690 -4.218 1.00 23.42 ? 63 PRO A O 1 ATOM 395 C CB . PRO A 1 52 ? -2.712 -7.043 -6.129 1.00 26.79 ? 63 PRO A CB 1 ATOM 396 C CG . PRO A 1 52 ? -2.092 -8.404 -6.131 1.00 32.35 ? 63 PRO A CG 1 ATOM 397 C CD . PRO A 1 52 ? -0.864 -8.279 -6.980 1.00 28.14 ? 63 PRO A CD 1 ATOM 398 N N . LYS A 1 53 ? -0.187 -6.270 -4.060 1.00 23.44 ? 64 LYS A N 1 ATOM 399 C CA . LYS A 1 53 ? 0.231 -5.914 -2.706 1.00 24.06 ? 64 LYS A CA 1 ATOM 400 C C . LYS A 1 53 ? 0.757 -4.486 -2.585 1.00 26.47 ? 64 LYS A C 1 ATOM 401 O O . LYS A 1 53 ? 0.694 -3.931 -1.493 1.00 25.80 ? 64 LYS A O 1 ATOM 402 C CB . LYS A 1 53 ? 1.309 -6.896 -2.184 1.00 28.11 ? 64 LYS A CB 1 ATOM 403 C CG . LYS A 1 53 ? 0.754 -8.267 -1.821 1.00 38.98 ? 64 LYS A CG 1 ATOM 404 C CD . LYS A 1 53 ? 1.788 -9.118 -1.085 1.00 46.78 ? 64 LYS A CD 1 ATOM 405 N N . ILE A 1 54 ? 1.307 -3.900 -3.684 1.00 23.41 ? 65 ILE A N 1 ATOM 406 C CA . ILE A 1 54 ? 1.863 -2.542 -3.656 1.00 24.06 ? 65 ILE A CA 1 ATOM 407 C C . ILE A 1 54 ? 0.797 -1.454 -3.941 1.00 25.58 ? 65 ILE A C 1 ATOM 408 O O . ILE A 1 54 ? 1.132 -0.272 -3.933 1.00 25.36 ? 65 ILE A O 1 ATOM 409 C CB . ILE A 1 54 ? 3.117 -2.382 -4.566 1.00 28.60 ? 65 ILE A CB 1 ATOM 410 C CG1 . ILE A 1 54 ? 2.759 -2.499 -6.061 1.00 29.61 ? 65 ILE A CG1 1 ATOM 411 C CG2 . ILE A 1 54 ? 4.252 -3.370 -4.153 1.00 30.00 ? 65 ILE A CG2 1 ATOM 412 C CD1 . ILE A 1 54 ? 3.637 -1.783 -6.997 1.00 40.21 ? 65 ILE A CD1 1 ATOM 413 N N . LEU A 1 55 A -0.456 -1.845 -4.153 1.00 19.87 ? 65 LEU A N 1 ATOM 414 C CA . LEU A 1 55 A -1.515 -0.865 -4.437 1.00 17.74 ? 65 LEU A CA 1 ATOM 415 C C . LEU A 1 55 A -2.364 -0.505 -3.213 1.00 18.82 ? 65 LEU A C 1 ATOM 416 O O . LEU A 1 55 A -2.645 -1.330 -2.334 1.00 19.65 ? 65 LEU A O 1 ATOM 417 C CB . LEU A 1 55 A -2.434 -1.411 -5.532 1.00 17.27 ? 65 LEU A CB 1 ATOM 418 C CG . LEU A 1 55 A -1.789 -1.663 -6.906 1.00 19.63 ? 65 LEU A CG 1 ATOM 419 C CD1 . LEU A 1 55 A -2.839 -2.215 -7.875 1.00 20.50 ? 65 LEU A CD1 1 ATOM 420 C CD2 . LEU A 1 55 A -1.176 -0.387 -7.488 1.00 22.71 ? 65 LEU A CD2 1 ATOM 421 N N . ARG A 1 56 B -2.789 0.761 -3.160 1.00 17.32 ? 65 ARG A N 1 ATOM 422 C CA . ARG A 1 56 B -3.692 1.256 -2.145 1.00 16.30 ? 65 ARG A CA 1 ATOM 423 C C . ARG A 1 56 B -4.771 2.068 -2.855 1.00 16.45 ? 65 ARG A C 1 ATOM 424 O O . ARG A 1 56 B -4.449 2.973 -3.643 1.00 18.04 ? 65 ARG A O 1 ATOM 425 C CB . ARG A 1 56 B -2.979 2.143 -1.124 1.00 19.83 ? 65 ARG A CB 1 ATOM 426 C CG . ARG A 1 56 B -2.054 1.340 -0.215 1.00 24.59 ? 65 ARG A CG 1 ATOM 427 C CD . ARG A 1 56 B -1.494 2.196 0.883 1.00 25.45 ? 65 ARG A CD 1 ATOM 428 N NE . ARG A 1 56 B -0.805 1.393 1.893 1.00 27.30 ? 65 ARG A NE 1 ATOM 429 C CZ . ARG A 1 56 B -0.379 1.887 3.049 1.00 42.70 ? 65 ARG A CZ 1 ATOM 430 N NH1 . ARG A 1 56 B -0.574 3.165 3.345 1.00 28.53 ? 65 ARG A NH1 1 ATOM 431 N NH2 . ARG A 1 56 B 0.215 1.100 3.934 1.00 34.97 ? 65 ARG A NH2 1 ATOM 432 N N . VAL A 1 57 ? -6.024 1.781 -2.530 1.00 13.11 ? 66 VAL A N 1 ATOM 433 C CA . VAL A 1 57 ? -7.156 2.518 -3.080 1.00 12.84 ? 66 VAL A CA 1 ATOM 434 C C . VAL A 1 57 ? -7.658 3.449 -1.997 1.00 14.58 ? 66 VAL A C 1 ATOM 435 O O . VAL A 1 57 ? -8.130 2.987 -0.937 1.00 14.80 ? 66 VAL A O 1 ATOM 436 C CB . VAL A 1 57 ? -8.282 1.570 -3.581 1.00 15.72 ? 66 VAL A CB 1 ATOM 437 C CG1 . VAL A 1 57 ? -9.515 2.366 -4.057 1.00 15.03 ? 66 VAL A CG1 1 ATOM 438 C CG2 . VAL A 1 57 ? -7.768 0.665 -4.699 1.00 17.53 ? 66 VAL A CG2 1 ATOM 439 N N . TYR A 1 58 ? -7.683 4.756 -2.298 1.00 12.69 ? 67 TYR A N 1 ATOM 440 C CA . TYR A 1 58 ? -8.221 5.716 -1.360 1.00 13.31 ? 67 TYR A CA 1 ATOM 441 C C . TYR A 1 58 ? -9.520 6.263 -1.880 1.00 14.89 ? 67 TYR A C 1 ATOM 442 O O . TYR A 1 58 ? -9.562 6.850 -2.979 1.00 14.33 ? 67 TYR A O 1 ATOM 443 C CB . TYR A 1 58 ? -7.238 6.846 -1.109 1.00 13.90 ? 67 TYR A CB 1 ATOM 444 C CG . TYR A 1 58 ? -6.003 6.407 -0.371 1.00 13.21 ? 67 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 58 ? -5.964 6.410 1.022 1.00 14.90 ? 67 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 58 ? -4.850 6.048 -1.055 1.00 13.56 ? 67 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 58 ? -4.814 6.049 1.708 1.00 16.13 ? 67 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 58 ? -3.704 5.634 -0.375 1.00 14.80 ? 67 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 58 ? -3.688 5.650 1.010 1.00 17.74 ? 67 TYR A CZ 1 ATOM 450 O OH . TYR A 1 58 ? -2.534 5.325 1.693 1.00 20.58 ? 67 TYR A OH 1 ATOM 451 N N . SER A 1 59 ? -10.592 6.079 -1.089 1.00 14.45 ? 68 SER A N 1 ATOM 452 C CA . SER A 1 59 ? -11.908 6.586 -1.379 1.00 13.78 ? 68 SER A CA 1 ATOM 453 C C . SER A 1 59 ? -12.245 7.704 -0.384 1.00 17.06 ? 68 SER A C 1 ATOM 454 O O . SER A 1 59 ? -11.590 7.844 0.677 1.00 17.15 ? 68 SER A O 1 ATOM 455 C CB . SER A 1 59 ? -12.951 5.472 -1.322 1.00 19.65 ? 68 SER A CB 1 ATOM 456 O OG . SER A 1 59 ? -12.937 4.873 -0.039 1.00 22.46 ? 68 SER A OG 1 ATOM 457 N N . GLY A 1 60 ? -13.239 8.509 -0.749 1.00 14.26 ? 69 GLY A N 1 ATOM 458 C CA . GLY A 1 60 ? -13.688 9.597 0.102 1.00 15.22 ? 69 GLY A CA 1 ATOM 459 C C . GLY A 1 60 ? -12.658 10.686 0.291 1.00 20.30 ? 69 GLY A C 1 ATOM 460 O O . GLY A 1 60 ? -12.708 11.393 1.304 1.00 23.29 ? 69 GLY A O 1 ATOM 461 N N . ILE A 1 61 ? -11.754 10.847 -0.692 1.00 16.97 ? 70 ILE A N 1 ATOM 462 C CA . ILE A 1 61 ? -10.652 11.828 -0.665 1.00 17.59 ? 70 ILE A CA 1 ATOM 463 C C . ILE A 1 61 ? -10.952 12.990 -1.530 1.00 17.99 ? 70 ILE A C 1 ATOM 464 O O . ILE A 1 61 ? -11.221 12.825 -2.730 1.00 17.82 ? 70 ILE A O 1 ATOM 465 C CB . ILE A 1 61 ? -9.317 11.169 -1.186 1.00 20.52 ? 70 ILE A CB 1 ATOM 466 C CG1 . ILE A 1 61 ? -8.899 9.980 -0.345 1.00 21.32 ? 70 ILE A CG1 1 ATOM 467 C CG2 . ILE A 1 61 ? -8.148 12.198 -1.338 1.00 21.21 ? 70 ILE A CG2 1 ATOM 468 C CD1 . ILE A 1 61 ? -8.634 10.220 1.157 1.00 32.58 ? 70 ILE A CD1 1 ATOM 469 N N . LEU A 1 62 ? -10.837 14.196 -0.984 1.00 14.38 ? 71 LEU A N 1 ATOM 470 C CA . LEU A 1 62 ? -10.920 15.373 -1.841 1.00 14.35 ? 71 LEU A CA 1 ATOM 471 C C . LEU A 1 62 ? -9.482 15.851 -2.147 1.00 14.37 ? 71 LEU A C 1 ATOM 472 O O . LEU A 1 62 ? -9.108 16.069 -3.302 1.00 14.21 ? 71 LEU A O 1 ATOM 473 C CB . LEU A 1 62 ? -11.721 16.505 -1.136 1.00 13.26 ? 71 LEU A CB 1 ATOM 474 C CG . LEU A 1 62 ? -11.871 17.816 -1.958 1.00 17.80 ? 71 LEU A CG 1 ATOM 475 C CD1 . LEU A 1 62 ? -12.676 17.612 -3.259 1.00 17.23 ? 71 LEU A CD1 1 ATOM 476 C CD2 . LEU A 1 62 ? -12.500 18.908 -1.124 1.00 17.62 ? 71 LEU A CD2 1 ATOM 477 N N . ASN A 1 63 ? -8.660 15.991 -1.079 1.00 14.14 ? 72 ASN A N 1 ATOM 478 C CA . ASN A 1 63 ? -7.308 16.502 -1.197 1.00 13.78 ? 72 ASN A CA 1 ATOM 479 C C . ASN A 1 63 ? -6.264 15.440 -1.007 1.00 13.68 ? 72 ASN A C 1 ATOM 480 O O . ASN A 1 63 ? -6.336 14.690 -0.035 1.00 16.34 ? 72 ASN A O 1 ATOM 481 C CB . ASN A 1 63 ? -7.081 17.596 -0.152 1.00 15.04 ? 72 ASN A CB 1 ATOM 482 C CG . ASN A 1 63 ? -7.929 18.796 -0.420 1.00 22.70 ? 72 ASN A CG 1 ATOM 483 O OD1 . ASN A 1 63 ? -8.192 19.142 -1.551 1.00 21.95 ? 72 ASN A OD1 1 ATOM 484 N ND2 . ASN A 1 63 ? -8.345 19.494 0.621 1.00 27.78 ? 72 ASN A ND2 1 ATOM 485 N N . GLN A 1 64 ? -5.278 15.347 -1.906 1.00 13.14 ? 73 GLN A N 1 ATOM 486 C CA . GLN A 1 64 ? -4.192 14.384 -1.738 1.00 13.79 ? 73 GLN A CA 1 ATOM 487 C C . GLN A 1 64 ? -3.475 14.559 -0.396 1.00 17.25 ? 73 GLN A C 1 ATOM 488 O O . GLN A 1 64 ? -3.008 13.577 0.173 1.00 17.07 ? 73 GLN A O 1 ATOM 489 C CB . GLN A 1 64 ? -3.163 14.499 -2.863 1.00 14.75 ? 73 GLN A CB 1 ATOM 490 C CG . GLN A 1 64 ? -3.724 14.080 -4.232 1.00 16.02 ? 73 GLN A CG 1 ATOM 491 C CD . GLN A 1 64 ? -3.803 12.566 -4.408 1.00 15.69 ? 73 GLN A CD 1 ATOM 492 O OE1 . GLN A 1 64 ? -3.087 11.789 -3.774 1.00 15.57 ? 73 GLN A OE1 1 ATOM 493 N NE2 . GLN A 1 64 ? -4.727 12.097 -5.253 1.00 15.34 ? 73 GLN A NE2 1 ATOM 494 N N . SER A 1 65 ? -3.406 15.804 0.102 1.00 15.55 ? 74 SER A N 1 ATOM 495 C CA . SER A 1 65 ? -2.787 16.112 1.395 1.00 16.13 ? 74 SER A CA 1 ATOM 496 C C . SER A 1 65 ? -3.496 15.423 2.575 1.00 20.21 ? 74 SER A C 1 ATOM 497 O O . SER A 1 65 ? -2.916 15.340 3.670 1.00 20.23 ? 74 SER A O 1 ATOM 498 C CB . SER A 1 65 ? -2.701 17.623 1.611 1.00 16.19 ? 74 SER A CB 1 ATOM 499 O OG . SER A 1 65 ? -4.013 18.166 1.599 1.00 19.58 ? 74 SER A OG 1 ATOM 500 N N . GLU A 1 66 ? -4.719 14.887 2.354 1.00 15.93 ? 75 GLU A N 1 ATOM 501 C CA . GLU A 1 66 ? -5.468 14.122 3.370 1.00 16.87 ? 75 GLU A CA 1 ATOM 502 C C . GLU A 1 66 ? -4.886 12.693 3.510 1.00 20.25 ? 75 GLU A C 1 ATOM 503 O O . GLU A 1 66 ? -5.194 11.993 4.486 1.00 21.65 ? 75 GLU A O 1 ATOM 504 C CB . GLU A 1 66 ? -6.975 14.009 3.010 1.00 19.32 ? 75 GLU A CB 1 ATOM 505 C CG . GLU A 1 66 ? -7.682 15.363 2.997 1.00 26.04 ? 75 GLU A CG 1 ATOM 506 C CD . GLU A 1 66 ? -8.941 15.596 2.172 1.00 46.24 ? 75 GLU A CD 1 ATOM 507 O OE1 . GLU A 1 66 ? -9.546 14.618 1.693 1.00 26.94 ? 75 GLU A OE1 1 ATOM 508 O OE2 . GLU A 1 66 ? -9.340 16.773 2.024 1.00 52.43 ? 75 GLU A OE2 1 ATOM 509 N N . ILE A 1 67 ? -4.078 12.248 2.534 1.00 16.70 ? 76 ILE A N 1 ATOM 510 C CA . ILE A 1 67 ? -3.504 10.894 2.549 1.00 17.20 ? 76 ILE A CA 1 ATOM 511 C C . ILE A 1 67 ? -2.206 10.854 3.348 1.00 22.86 ? 76 ILE A C 1 ATOM 512 O O . ILE A 1 67 ? -1.165 11.284 2.850 1.00 23.17 ? 76 ILE A O 1 ATOM 513 C CB . ILE A 1 67 ? -3.363 10.353 1.109 1.00 19.35 ? 76 ILE A CB 1 ATOM 514 C CG1 . ILE A 1 67 ? -4.785 10.222 0.502 1.00 18.97 ? 76 ILE A CG1 1 ATOM 515 C CG2 . ILE A 1 67 ? -2.607 9.004 1.090 1.00 19.68 ? 76 ILE A CG2 1 ATOM 516 C CD1 . ILE A 1 67 ? -4.783 9.897 -1.027 1.00 18.34 ? 76 ILE A CD1 1 ATOM 517 N N . LYS A 1 68 ? -2.300 10.293 4.571 1.00 24.46 ? 77 LYS A N 1 ATOM 518 C CA . LYS A 1 68 ? -1.224 10.118 5.573 1.00 27.52 ? 77 LYS A CA 1 ATOM 519 C C . LYS A 1 68 ? -1.190 8.643 6.045 1.00 36.59 ? 77 LYS A C 1 ATOM 520 O O . LYS A 1 68 ? -1.975 7.822 5.552 1.00 36.31 ? 77 LYS A O 1 ATOM 521 C CB . LYS A 1 68 ? -1.498 11.057 6.775 1.00 28.83 ? 77 LYS A CB 1 ATOM 522 C CG . LYS A 1 68 ? -1.555 12.540 6.404 1.00 35.51 ? 77 LYS A CG 1 ATOM 523 C CD . LYS A 1 68 ? -2.262 13.366 7.462 1.00 46.82 ? 77 LYS A CD 1 ATOM 524 C CE . LYS A 1 68 ? -3.668 13.748 7.091 1.00 63.53 ? 77 LYS A CE 1 ATOM 525 N NZ . LYS A 1 68 ? -4.310 14.556 8.164 1.00 75.01 ? 77 LYS A NZ 1 ATOM 526 N N . GLU A 1 69 ? -0.295 8.314 7.021 1.00 35.13 ? 78 GLU A N 1 ATOM 527 C CA . GLU A 1 69 ? -0.112 6.959 7.570 1.00 35.49 ? 78 GLU A CA 1 ATOM 528 C C . GLU A 1 69 ? -1.383 6.263 8.058 1.00 38.16 ? 78 GLU A C 1 ATOM 529 O O . GLU A 1 69 ? -1.589 5.092 7.737 1.00 39.76 ? 78 GLU A O 1 ATOM 530 C CB . GLU A 1 69 ? 0.926 6.986 8.706 1.00 37.36 ? 78 GLU A CB 1 ATOM 531 N N . ASP A 1 70 ? -2.215 6.953 8.846 1.00 34.76 ? 79 ASP A N 1 ATOM 532 C CA . ASP A 1 70 ? -3.436 6.375 9.428 1.00 34.34 ? 79 ASP A CA 1 ATOM 533 C C . ASP A 1 70 ? -4.668 6.543 8.555 1.00 35.59 ? 79 ASP A C 1 ATOM 534 O O . ASP A 1 70 ? -5.779 6.174 8.974 1.00 36.54 ? 79 ASP A O 1 ATOM 535 C CB . ASP A 1 70 ? -3.697 6.972 10.825 1.00 36.66 ? 79 ASP A CB 1 ATOM 536 N N . THR A 1 71 ? -4.490 7.089 7.333 1.00 29.14 ? 80 THR A N 1 ATOM 537 C CA . THR A 1 71 ? -5.633 7.266 6.457 1.00 27.01 ? 80 THR A CA 1 ATOM 538 C C . THR A 1 71 ? -6.107 5.889 6.059 1.00 27.09 ? 80 THR A C 1 ATOM 539 O O . THR A 1 71 ? -5.291 5.052 5.726 1.00 26.27 ? 80 THR A O 1 ATOM 540 C CB . THR A 1 71 ? -5.249 8.086 5.242 1.00 24.05 ? 80 THR A CB 1 ATOM 541 O OG1 . THR A 1 71 ? -4.486 9.205 5.742 1.00 26.02 ? 80 THR A OG1 1 ATOM 542 C CG2 . THR A 1 71 ? -6.477 8.578 4.474 1.00 21.29 ? 80 THR A CG2 1 ATOM 543 N N . SER A 1 72 ? -7.406 5.684 6.152 1.00 25.34 ? 81 SER A N 1 ATOM 544 C CA . SER A 1 72 ? -8.082 4.445 5.804 1.00 25.63 ? 81 SER A CA 1 ATOM 545 C C . SER A 1 72 ? -7.962 4.233 4.292 1.00 27.49 ? 81 SER A C 1 ATOM 546 O O . SER A 1 72 ? -8.047 5.184 3.515 1.00 27.46 ? 81 SER A O 1 ATOM 547 C CB . SER A 1 72 ? -9.546 4.532 6.226 1.00 31.56 ? 81 SER A CB 1 ATOM 548 O OG . SER A 1 72 ? -10.242 3.321 5.998 1.00 45.74 ? 81 SER A OG 1 ATOM 549 N N . PHE A 1 73 ? -7.719 2.995 3.887 1.00 22.50 ? 82 PHE A N 1 ATOM 550 C CA . PHE A 1 73 ? -7.623 2.656 2.465 1.00 21.62 ? 82 PHE A CA 1 ATOM 551 C C . PHE A 1 73 ? -8.094 1.243 2.249 1.00 23.25 ? 82 PHE A C 1 ATOM 552 O O . PHE A 1 73 ? -8.252 0.473 3.199 1.00 23.07 ? 82 PHE A O 1 ATOM 553 C CB . PHE A 1 73 ? -6.187 2.773 1.946 1.00 21.68 ? 82 PHE A CB 1 ATOM 554 C CG . PHE A 1 73 ? -5.204 1.779 2.521 1.00 22.53 ? 82 PHE A CG 1 ATOM 555 C CD1 . PHE A 1 73 ? -4.542 2.045 3.721 1.00 25.25 ? 82 PHE A CD1 1 ATOM 556 C CD2 . PHE A 1 73 ? -4.978 0.551 1.898 1.00 23.30 ? 82 PHE A CD2 1 ATOM 557 C CE1 . PHE A 1 73 ? -3.652 1.118 4.265 1.00 25.86 ? 82 PHE A CE1 1 ATOM 558 C CE2 . PHE A 1 73 ? -4.099 -0.384 2.457 1.00 27.05 ? 82 PHE A CE2 1 ATOM 559 C CZ . PHE A 1 73 ? -3.432 -0.086 3.624 1.00 26.18 ? 82 PHE A CZ 1 ATOM 560 N N . PHE A 1 74 ? -8.224 0.880 0.989 1.00 18.14 ? 83 PHE A N 1 ATOM 561 C CA . PHE A 1 74 ? -8.586 -0.470 0.611 1.00 16.16 ? 83 PHE A CA 1 ATOM 562 C C . PHE A 1 74 ? -7.400 -1.090 -0.102 1.00 18.14 ? 83 PHE A C 1 ATOM 563 O O . PHE A 1 74 ? -6.807 -0.513 -1.015 1.00 17.13 ? 83 PHE A O 1 ATOM 564 C CB . PHE A 1 74 ? -9.847 -0.487 -0.291 1.00 17.21 ? 83 PHE A CB 1 ATOM 565 C CG . PHE A 1 74 ? -11.116 0.017 0.352 1.00 19.89 ? 83 PHE A CG 1 ATOM 566 C CD1 . PHE A 1 74 ? -11.966 -0.850 1.027 1.00 24.37 ? 83 PHE A CD1 1 ATOM 567 C CD2 . PHE A 1 74 ? -11.484 1.353 0.249 1.00 22.24 ? 83 PHE A CD2 1 ATOM 568 C CE1 . PHE A 1 74 ? -13.136 -0.377 1.649 1.00 26.31 ? 83 PHE A CE1 1 ATOM 569 C CE2 . PHE A 1 74 ? -12.656 1.824 0.853 1.00 25.82 ? 83 PHE A CE2 1 ATOM 570 C CZ . PHE A 1 74 ? -13.479 0.959 1.548 1.00 25.60 ? 83 PHE A CZ 1 ATOM 571 N N . GLY A 1 75 ? -7.034 -2.291 0.338 1.00 16.14 ? 84 GLY A N 1 ATOM 572 C CA . GLY A 1 75 ? -6.007 -3.072 -0.312 1.00 16.70 ? 84 GLY A CA 1 ATOM 573 C C . GLY A 1 75 ? -6.623 -3.756 -1.530 1.00 17.17 ? 84 GLY A C 1 ATOM 574 O O . GLY A 1 75 ? -7.863 -3.844 -1.665 1.00 16.75 ? 84 GLY A O 1 ATOM 575 N N . VAL A 1 76 ? -5.765 -4.236 -2.415 1.00 16.53 ? 85 VAL A N 1 ATOM 576 C CA . VAL A 1 76 ? -6.224 -4.860 -3.658 1.00 15.82 ? 85 VAL A CA 1 ATOM 577 C C . VAL A 1 76 ? -5.848 -6.339 -3.596 1.00 19.65 ? 85 VAL A C 1 ATOM 578 O O . VAL A 1 76 ? -4.667 -6.666 -3.394 1.00 20.53 ? 85 VAL A O 1 ATOM 579 C CB . VAL A 1 76 ? -5.601 -4.167 -4.886 1.00 17.14 ? 85 VAL A CB 1 ATOM 580 C CG1 . VAL A 1 76 ? -5.924 -4.912 -6.182 1.00 17.68 ? 85 VAL A CG1 1 ATOM 581 C CG2 . VAL A 1 76 ? -6.055 -2.698 -4.969 1.00 14.81 ? 85 VAL A CG2 1 ATOM 582 N N . GLN A 1 77 ? -6.848 -7.204 -3.789 1.00 17.63 ? 86 GLN A N 1 ATOM 583 C CA . GLN A 1 77 ? -6.705 -8.674 -3.823 1.00 19.16 ? 86 GLN A CA 1 ATOM 584 C C . GLN A 1 77 ? -6.222 -9.132 -5.207 1.00 22.38 ? 86 GLN A C 1 ATOM 585 O O . GLN A 1 77 ? -5.390 -10.038 -5.321 1.00 22.39 ? 86 GLN A O 1 ATOM 586 C CB . GLN A 1 77 ? -8.082 -9.299 -3.614 1.00 22.22 ? 86 GLN A CB 1 ATOM 587 C CG . GLN A 1 77 ? -8.398 -9.872 -2.281 1.00 38.57 ? 86 GLN A CG 1 ATOM 588 C CD . GLN A 1 77 ? -9.627 -10.709 -2.496 1.00 36.22 ? 86 GLN A CD 1 ATOM 589 O OE1 . GLN A 1 77 ? -9.538 -11.827 -2.968 1.00 30.77 ? 86 GLN A OE1 1 ATOM 590 N NE2 . GLN A 1 77 ? -10.808 -10.147 -2.277 1.00 23.42 ? 86 GLN A NE2 1 ATOM 591 N N . GLU A 1 78 ? -6.760 -8.528 -6.271 1.00 19.26 ? 87 GLU A N 1 ATOM 592 C CA . GLU A 1 78 ? -6.480 -8.958 -7.637 1.00 18.31 ? 87 GLU A CA 1 ATOM 593 C C . GLU A 1 78 ? -6.627 -7.807 -8.611 1.00 20.50 ? 87 GLU A C 1 ATOM 594 O O . GLU A 1 78 ? -7.508 -6.973 -8.441 1.00 17.24 ? 87 GLU A O 1 ATOM 595 C CB . GLU A 1 78 ? -7.503 -10.050 -7.996 1.00 21.28 ? 87 GLU A CB 1 ATOM 596 C CG . GLU A 1 78 ? -7.221 -10.811 -9.280 1.00 32.93 ? 87 GLU A CG 1 ATOM 597 C CD . GLU A 1 78 ? -8.256 -11.870 -9.609 1.00 49.41 ? 87 GLU A CD 1 ATOM 598 O OE1 . GLU A 1 78 ? -9.280 -11.959 -8.891 1.00 33.33 ? 87 GLU A OE1 1 ATOM 599 O OE2 . GLU A 1 78 ? -8.057 -12.587 -10.615 1.00 41.12 ? 87 GLU A OE2 1 ATOM 600 N N . ILE A 1 79 ? -5.752 -7.767 -9.611 1.00 15.85 ? 88 ILE A N 1 ATOM 601 C CA . ILE A 1 79 ? -5.774 -6.835 -10.735 1.00 14.55 ? 88 ILE A CA 1 ATOM 602 C C . ILE A 1 79 ? -6.264 -7.664 -11.925 1.00 19.20 ? 88 ILE A C 1 ATOM 603 O O . ILE A 1 79 ? -5.626 -8.673 -12.265 1.00 20.85 ? 88 ILE A O 1 ATOM 604 C CB . ILE A 1 79 ? -4.362 -6.253 -11.001 1.00 16.72 ? 88 ILE A CB 1 ATOM 605 C CG1 . ILE A 1 79 ? -3.811 -5.523 -9.753 1.00 18.18 ? 88 ILE A CG1 1 ATOM 606 C CG2 . ILE A 1 79 ? -4.338 -5.374 -12.247 1.00 20.87 ? 88 ILE A CG2 1 ATOM 607 C CD1 . ILE A 1 79 ? -2.299 -5.271 -9.836 1.00 23.67 ? 88 ILE A CD1 1 ATOM 608 N N . ILE A 1 80 ? -7.389 -7.263 -12.529 1.00 14.18 ? 89 ILE A N 1 ATOM 609 C CA . ILE A 1 80 ? -7.959 -7.983 -13.653 1.00 14.00 ? 89 ILE A CA 1 ATOM 610 C C . ILE A 1 80 ? -7.851 -7.075 -14.869 1.00 18.66 ? 89 ILE A C 1 ATOM 611 O O . ILE A 1 80 ? -8.586 -6.093 -14.976 1.00 16.66 ? 89 ILE A O 1 ATOM 612 C CB . ILE A 1 80 ? -9.401 -8.414 -13.376 1.00 16.95 ? 89 ILE A CB 1 ATOM 613 C CG1 . ILE A 1 80 ? -9.454 -9.284 -12.105 1.00 16.99 ? 89 ILE A CG1 1 ATOM 614 C CG2 . ILE A 1 80 ? -10.002 -9.152 -14.604 1.00 18.30 ? 89 ILE A CG2 1 ATOM 615 C CD1 . ILE A 1 80 ? -10.821 -9.484 -11.522 1.00 31.12 ? 89 ILE A CD1 1 ATOM 616 N N . ILE A 1 81 ? -6.925 -7.382 -15.778 1.00 16.78 ? 90 ILE A N 1 ATOM 617 C CA . ILE A 1 81 ? -6.737 -6.585 -16.986 1.00 15.05 ? 90 ILE A CA 1 ATOM 618 C C . ILE A 1 81 ? -7.423 -7.281 -18.163 1.00 18.15 ? 90 ILE A C 1 ATOM 619 O O . ILE A 1 81 ? -7.298 -8.511 -18.282 1.00 17.26 ? 90 ILE A O 1 ATOM 620 C CB . ILE A 1 81 ? -5.238 -6.408 -17.231 1.00 18.44 ? 90 ILE A CB 1 ATOM 621 C CG1 . ILE A 1 81 ? -4.612 -5.575 -16.063 1.00 21.56 ? 90 ILE A CG1 1 ATOM 622 C CG2 . ILE A 1 81 ? -4.970 -5.808 -18.630 1.00 19.62 ? 90 ILE A CG2 1 ATOM 623 C CD1 . ILE A 1 81 ? -3.072 -5.454 -16.094 1.00 32.37 ? 90 ILE A CD1 1 ATOM 624 N N . HIS A 1 82 ? -8.110 -6.526 -19.050 1.00 15.90 ? 91 HIS A N 1 ATOM 625 C CA . HIS A 1 82 ? -8.765 -7.119 -20.210 1.00 15.06 ? 91 HIS A CA 1 ATOM 626 C C . HIS A 1 82 ? -7.741 -7.960 -20.971 1.00 18.36 ? 91 HIS A C 1 ATOM 627 O O . HIS A 1 82 ? -6.627 -7.489 -21.214 1.00 16.62 ? 91 HIS A O 1 ATOM 628 C CB . HIS A 1 82 ? -9.359 -6.061 -21.120 1.00 14.82 ? 91 HIS A CB 1 ATOM 629 C CG . HIS A 1 82 ? -10.371 -6.627 -22.049 1.00 16.93 ? 91 HIS A CG 1 ATOM 630 N ND1 . HIS A 1 82 ? -10.000 -7.441 -23.112 1.00 19.01 ? 91 HIS A ND1 1 ATOM 631 C CD2 . HIS A 1 82 ? -11.718 -6.554 -21.991 1.00 17.94 ? 91 HIS A CD2 1 ATOM 632 C CE1 . HIS A 1 82 ? -11.136 -7.809 -23.678 1.00 18.70 ? 91 HIS A CE1 1 ATOM 633 N NE2 . HIS A 1 82 ? -12.197 -7.276 -23.061 1.00 17.78 ? 91 HIS A NE2 1 ATOM 634 N N . ASP A 1 83 ? -8.096 -9.218 -21.289 1.00 19.01 ? 92 ASP A N 1 ATOM 635 C CA . ASP A 1 83 ? -7.087 -10.087 -21.895 1.00 18.50 ? 92 ASP A CA 1 ATOM 636 C C . ASP A 1 83 ? -6.724 -9.708 -23.350 1.00 21.90 ? 92 ASP A C 1 ATOM 637 O O . ASP A 1 83 ? -5.695 -10.202 -23.837 1.00 21.78 ? 92 ASP A O 1 ATOM 638 C CB . ASP A 1 83 ? -7.436 -11.573 -21.745 1.00 20.81 ? 92 ASP A CB 1 ATOM 639 C CG . ASP A 1 83 ? -8.695 -12.058 -22.403 1.00 30.17 ? 92 ASP A CG 1 ATOM 640 O OD1 . ASP A 1 83 ? -9.210 -11.355 -23.296 1.00 31.47 ? 92 ASP A OD1 1 ATOM 641 O OD2 . ASP A 1 83 ? -9.141 -13.185 -22.066 1.00 31.78 ? 92 ASP A OD2 1 ATOM 642 N N . GLN A 1 84 ? -7.458 -8.776 -23.987 1.00 17.77 ? 93 GLN A N 1 ATOM 643 C CA . GLN A 1 84 ? -7.081 -8.321 -25.336 1.00 18.62 ? 93 GLN A CA 1 ATOM 644 C C . GLN A 1 84 ? -6.231 -7.042 -25.272 1.00 23.17 ? 93 GLN A C 1 ATOM 645 O O . GLN A 1 84 ? -5.762 -6.561 -26.308 1.00 23.22 ? 93 GLN A O 1 ATOM 646 C CB . GLN A 1 84 ? -8.300 -8.132 -26.245 1.00 20.29 ? 93 GLN A CB 1 ATOM 647 C CG . GLN A 1 84 ? -8.970 -9.474 -26.588 1.00 21.45 ? 93 GLN A CG 1 ATOM 648 C CD . GLN A 1 84 ? -10.289 -9.314 -27.316 1.00 41.98 ? 93 GLN A CD 1 ATOM 649 O OE1 . GLN A 1 84 ? -11.375 -9.510 -26.747 1.00 38.00 ? 93 GLN A OE1 1 ATOM 650 N NE2 . GLN A 1 84 ? -10.231 -8.948 -28.588 1.00 38.11 ? 93 GLN A NE2 1 ATOM 651 N N . TYR A 1 85 ? -6.021 -6.486 -24.058 1.00 19.16 ? 94 TYR A N 1 ATOM 652 C CA . TYR A 1 85 ? -5.281 -5.237 -23.953 1.00 16.94 ? 94 TYR A CA 1 ATOM 653 C C . TYR A 1 85 ? -3.816 -5.387 -24.357 1.00 19.60 ? 94 TYR A C 1 ATOM 654 O O . TYR A 1 85 ? -3.147 -6.302 -23.890 1.00 21.21 ? 94 TYR A O 1 ATOM 655 C CB . TYR A 1 85 ? -5.373 -4.662 -22.518 1.00 15.61 ? 94 TYR A CB 1 ATOM 656 C CG . TYR A 1 85 ? -4.486 -3.452 -22.341 1.00 15.37 ? 94 TYR A CG 1 ATOM 657 C CD1 . TYR A 1 85 ? -4.840 -2.222 -22.885 1.00 15.80 ? 94 TYR A CD1 1 ATOM 658 C CD2 . TYR A 1 85 ? -3.244 -3.559 -21.719 1.00 15.92 ? 94 TYR A CD2 1 ATOM 659 C CE1 . TYR A 1 85 ? -3.995 -1.121 -22.784 1.00 13.98 ? 94 TYR A CE1 1 ATOM 660 C CE2 . TYR A 1 85 ? -2.402 -2.456 -21.587 1.00 16.47 ? 94 TYR A CE2 1 ATOM 661 C CZ . TYR A 1 85 ? -2.770 -1.246 -22.151 1.00 14.91 ? 94 TYR A CZ 1 ATOM 662 O OH . TYR A 1 85 ? -1.957 -0.140 -22.100 1.00 18.81 ? 94 TYR A OH 1 ATOM 663 N N . LYS A 1 86 ? -3.326 -4.426 -25.169 1.00 19.25 ? 95 LYS A N 1 ATOM 664 C CA . LYS A 1 86 ? -1.907 -4.319 -25.557 1.00 20.63 ? 95 LYS A CA 1 ATOM 665 C C . LYS A 1 86 ? -1.395 -2.910 -25.251 1.00 23.41 ? 95 LYS A C 1 ATOM 666 O O . LYS A 1 86 ? -0.363 -2.758 -24.596 1.00 24.67 ? 95 LYS A O 1 ATOM 667 C CB . LYS A 1 86 ? -1.690 -4.618 -27.066 1.00 23.76 ? 95 LYS A CB 1 ATOM 668 C CG . LYS A 1 86 ? -2.104 -6.024 -27.492 1.00 31.36 ? 95 LYS A CG 1 ATOM 669 C CD . LYS A 1 86 ? -1.455 -6.405 -28.824 1.00 37.45 ? 95 LYS A CD 1 ATOM 670 C CE . LYS A 1 86 ? -2.418 -7.092 -29.761 1.00 50.85 ? 95 LYS A CE 1 ATOM 671 N NZ . LYS A 1 86 ? -1.729 -7.598 -30.978 1.00 58.21 ? 95 LYS A NZ 1 ATOM 672 N N . MET A 1 87 ? -2.107 -1.884 -25.738 1.00 21.39 ? 96 MET A N 1 ATOM 673 C CA . MET A 1 87 ? -1.715 -0.480 -25.547 1.00 22.10 ? 96 MET A CA 1 ATOM 674 C C . MET A 1 87 ? -2.941 0.421 -25.611 1.00 20.88 ? 96 MET A C 1 ATOM 675 O O . MET A 1 87 ? -3.926 0.094 -26.281 1.00 19.92 ? 96 MET A O 1 ATOM 676 C CB . MET A 1 87 ? -0.627 -0.039 -26.553 1.00 25.89 ? 96 MET A CB 1 ATOM 677 C CG . MET A 1 87 ? -1.146 0.120 -27.962 1.00 32.51 ? 96 MET A CG 1 ATOM 678 S SD . MET A 1 87 ? 0.146 0.346 -29.215 1.00 40.50 ? 96 MET A SD 1 ATOM 679 C CE . MET A 1 87 ? 0.576 2.097 -28.943 1.00 37.14 ? 96 MET A CE 1 ATOM 680 N N . ALA A 1 88 ? -2.905 1.546 -24.878 1.00 19.62 ? 97 ALA A N 1 ATOM 681 C CA . ALA A 1 88 ? -4.085 2.407 -24.786 1.00 17.30 ? 97 ALA A CA 1 ATOM 682 C C . ALA A 1 88 ? -4.716 2.749 -26.127 1.00 18.00 ? 97 ALA A C 1 ATOM 683 O O . ALA A 1 88 ? -5.934 2.619 -26.327 1.00 16.71 ? 97 ALA A O 1 ATOM 684 C CB . ALA A 1 88 ? -3.760 3.680 -23.993 1.00 17.86 ? 97 ALA A CB 1 ATOM 685 N N . GLU A 1 89 ? -3.868 3.137 -27.106 1.00 17.92 ? 98 GLU A N 1 ATOM 686 C CA . GLU A 1 89 ? -4.340 3.563 -28.412 1.00 19.53 ? 98 GLU A CA 1 ATOM 687 C C . GLU A 1 89 ? -4.983 2.458 -29.220 1.00 21.43 ? 98 GLU A C 1 ATOM 688 O O . GLU A 1 89 ? -5.675 2.754 -30.189 1.00 22.37 ? 98 GLU A O 1 ATOM 689 C CB . GLU A 1 89 ? -3.221 4.259 -29.231 1.00 21.25 ? 98 GLU A CB 1 ATOM 690 C CG . GLU A 1 89 ? -2.634 5.495 -28.561 1.00 29.40 ? 98 GLU A CG 1 ATOM 691 C CD . GLU A 1 89 ? -1.572 5.285 -27.492 1.00 43.22 ? 98 GLU A CD 1 ATOM 692 O OE1 . GLU A 1 89 ? -1.289 4.120 -27.113 1.00 24.90 ? 98 GLU A OE1 1 ATOM 693 O OE2 . GLU A 1 89 ? -1.033 6.310 -27.013 1.00 41.52 ? 98 GLU A OE2 1 ATOM 694 N N . SER A 1 90 ? -4.757 1.193 -28.846 1.00 19.48 ? 99 SER A N 1 ATOM 695 C CA . SER A 1 90 ? -5.411 0.128 -29.591 1.00 20.49 ? 99 SER A CA 1 ATOM 696 C C . SER A 1 90 ? -6.612 -0.450 -28.833 1.00 24.12 ? 99 SER A C 1 ATOM 697 O O . SER A 1 90 ? -7.156 -1.470 -29.235 1.00 24.33 ? 99 SER A O 1 ATOM 698 C CB . SER A 1 90 ? -4.441 -0.939 -30.066 1.00 25.52 ? 99 SER A CB 1 ATOM 699 O OG . SER A 1 90 ? -3.751 -1.517 -28.987 1.00 27.22 ? 99 SER A OG 1 ATOM 700 N N . GLY A 1 91 ? -7.079 0.251 -27.800 1.00 19.10 ? 100 GLY A N 1 ATOM 701 C CA . GLY A 1 91 ? -8.313 -0.166 -27.142 1.00 18.53 ? 100 GLY A CA 1 ATOM 702 C C . GLY A 1 91 ? -8.167 -1.189 -26.046 1.00 17.02 ? 100 GLY A C 1 ATOM 703 O O . GLY A 1 91 ? -7.063 -1.508 -25.609 1.00 15.71 ? 100 GLY A O 1 ATOM 704 N N . TYR A 1 92 ? -9.322 -1.661 -25.588 1.00 15.19 ? 101 TYR A N 1 ATOM 705 C CA . TYR A 1 92 ? -9.406 -2.628 -24.477 1.00 13.77 ? 101 TYR A CA 1 ATOM 706 C C . TYR A 1 92 ? -8.717 -2.095 -23.225 1.00 14.72 ? 101 TYR A C 1 ATOM 707 O O . TYR A 1 92 ? -8.209 -2.875 -22.403 1.00 14.92 ? 101 TYR A O 1 ATOM 708 C CB . TYR A 1 92 ? -8.822 -4.000 -24.888 1.00 16.90 ? 101 TYR A CB 1 ATOM 709 C CG . TYR A 1 92 ? -9.583 -4.614 -26.039 1.00 20.84 ? 101 TYR A CG 1 ATOM 710 C CD1 . TYR A 1 92 ? -10.820 -5.217 -25.837 1.00 23.79 ? 101 TYR A CD1 1 ATOM 711 C CD2 . TYR A 1 92 ? -9.107 -4.519 -27.343 1.00 23.81 ? 101 TYR A CD2 1 ATOM 712 C CE1 . TYR A 1 92 ? -11.537 -5.777 -26.894 1.00 25.95 ? 101 TYR A CE1 1 ATOM 713 C CE2 . TYR A 1 92 ? -9.829 -5.060 -28.417 1.00 25.85 ? 101 TYR A CE2 1 ATOM 714 C CZ . TYR A 1 92 ? -11.065 -5.649 -28.187 1.00 33.21 ? 101 TYR A CZ 1 ATOM 715 O OH . TYR A 1 92 ? -11.809 -6.186 -29.212 1.00 39.32 ? 101 TYR A OH 1 ATOM 716 N N . ASP A 1 93 ? -8.714 -0.731 -23.080 1.00 12.81 ? 102 ASP A N 1 ATOM 717 C CA . ASP A 1 93 ? -8.015 -0.126 -21.960 1.00 12.86 ? 102 ASP A CA 1 ATOM 718 C C . ASP A 1 93 ? -8.926 -0.095 -20.723 1.00 14.74 ? 102 ASP A C 1 ATOM 719 O O . ASP A 1 93 ? -9.565 0.907 -20.412 1.00 14.28 ? 102 ASP A O 1 ATOM 720 C CB . ASP A 1 93 ? -7.502 1.269 -22.333 1.00 13.70 ? 102 ASP A CB 1 ATOM 721 C CG . ASP A 1 93 ? -6.494 1.830 -21.366 1.00 13.59 ? 102 ASP A CG 1 ATOM 722 O OD1 . ASP A 1 93 ? -6.046 1.090 -20.456 1.00 14.92 ? 102 ASP A OD1 1 ATOM 723 O OD2 . ASP A 1 93 ? -6.144 3.011 -21.507 1.00 13.92 ? 102 ASP A OD2 1 ATOM 724 N N . ILE A 1 94 ? -9.083 -1.259 -20.116 1.00 13.36 ? 103 ILE A N 1 ATOM 725 C CA . ILE A 1 94 ? -10.005 -1.458 -18.999 1.00 11.01 ? 103 ILE A CA 1 ATOM 726 C C . ILE A 1 94 ? -9.478 -2.527 -18.063 1.00 14.45 ? 103 ILE A C 1 ATOM 727 O O . ILE A 1 94 ? -8.839 -3.520 -18.488 1.00 14.05 ? 103 ILE A O 1 ATOM 728 C CB . ILE A 1 94 ? -11.416 -1.795 -19.547 1.00 13.00 ? 103 ILE A CB 1 ATOM 729 C CG1 . ILE A 1 94 ? -12.473 -1.787 -18.425 1.00 11.64 ? 103 ILE A CG1 1 ATOM 730 C CG2 . ILE A 1 94 ? -11.417 -3.131 -20.368 1.00 13.47 ? 103 ILE A CG2 1 ATOM 731 C CD1 . ILE A 1 94 ? -13.934 -1.793 -18.960 1.00 14.83 ? 103 ILE A CD1 1 ATOM 732 N N . ALA A 1 95 ? -9.636 -2.250 -16.765 1.00 12.44 ? 104 ALA A N 1 ATOM 733 C CA . ALA A 1 95 ? -9.172 -3.152 -15.737 1.00 12.09 ? 104 ALA A CA 1 ATOM 734 C C . ALA A 1 95 ? -10.062 -3.020 -14.537 1.00 13.15 ? 104 ALA A C 1 ATOM 735 O O . ALA A 1 95 ? -10.642 -1.973 -14.301 1.00 12.32 ? 104 ALA A O 1 ATOM 736 C CB . ALA A 1 95 ? -7.745 -2.828 -15.350 1.00 13.15 ? 104 ALA A CB 1 ATOM 737 N N . LEU A 1 96 ? -10.179 -4.102 -13.781 1.00 11.29 ? 105 LEU A N 1 ATOM 738 C CA . LEU A 1 96 ? -10.878 -4.117 -12.511 1.00 11.23 ? 105 LEU A CA 1 ATOM 739 C C . LEU A 1 96 ? -9.865 -4.374 -11.394 1.00 14.32 ? 105 LEU A C 1 ATOM 740 O O . LEU A 1 96 ? -8.908 -5.146 -11.561 1.00 14.03 ? 105 LEU A O 1 ATOM 741 C CB . LEU A 1 96 ? -11.913 -5.251 -12.471 1.00 12.01 ? 105 LEU A CB 1 ATOM 742 C CG . LEU A 1 96 ? -13.153 -4.966 -13.251 1.00 15.00 ? 105 LEU A CG 1 ATOM 743 C CD1 . LEU A 1 96 ? -13.779 -6.276 -13.773 1.00 17.82 ? 105 LEU A CD1 1 ATOM 744 C CD2 . LEU A 1 96 ? -14.130 -4.144 -12.433 1.00 14.98 ? 105 LEU A CD2 1 ATOM 745 N N . LEU A 1 97 ? -10.095 -3.754 -10.246 1.00 12.43 ? 106 LEU A N 1 ATOM 746 C CA . LEU A 1 97 ? -9.373 -4.057 -9.013 1.00 12.42 ? 106 LEU A CA 1 ATOM 747 C C . LEU A 1 97 ? -10.389 -4.674 -8.089 1.00 13.23 ? 106 LEU A C 1 ATOM 748 O O . LEU A 1 97 ? -11.444 -4.081 -7.814 1.00 12.86 ? 106 LEU A O 1 ATOM 749 C CB . LEU A 1 97 ? -8.785 -2.818 -8.316 1.00 12.56 ? 106 LEU A CB 1 ATOM 750 C CG . LEU A 1 97 ? -7.848 -1.971 -9.158 1.00 15.41 ? 106 LEU A CG 1 ATOM 751 C CD1 . LEU A 1 97 ? -7.396 -0.747 -8.356 1.00 16.36 ? 106 LEU A CD1 1 ATOM 752 C CD2 . LEU A 1 97 ? -6.659 -2.794 -9.690 1.00 18.19 ? 106 LEU A CD2 1 ATOM 753 N N . LYS A 1 98 ? -10.120 -5.933 -7.654 1.00 12.90 ? 107 LYS A N 1 ATOM 754 C CA . LYS A 1 98 ? -10.930 -6.593 -6.661 1.00 12.61 ? 107 LYS A CA 1 ATOM 755 C C . LYS A 1 98 ? -10.315 -6.202 -5.318 1.00 15.11 ? 107 LYS A C 1 ATOM 756 O O . LYS A 1 98 ? -9.137 -6.470 -5.081 1.00 16.34 ? 107 LYS A O 1 ATOM 757 C CB . LYS A 1 98 ? -10.893 -8.132 -6.807 1.00 13.67 ? 107 LYS A CB 1 ATOM 758 C CG . LYS A 1 98 ? -11.956 -8.757 -5.910 1.00 16.64 ? 107 LYS A CG 1 ATOM 759 C CD . LYS A 1 98 ? -11.915 -10.297 -6.010 1.00 22.79 ? 107 LYS A CD 1 ATOM 760 C CE . LYS A 1 98 ? -13.097 -10.874 -5.280 1.00 35.78 ? 107 LYS A CE 1 ATOM 761 N NZ . LYS A 1 98 ? -13.148 -12.358 -5.404 1.00 49.01 ? 107 LYS A NZ 1 ATOM 762 N N . LEU A 1 99 ? -11.088 -5.540 -4.472 1.00 13.47 ? 108 LEU A N 1 ATOM 763 C CA . LEU A 1 99 ? -10.579 -5.093 -3.189 1.00 14.38 ? 108 LEU A CA 1 ATOM 764 C C . LEU A 1 99 ? -10.530 -6.219 -2.171 1.00 17.18 ? 108 LEU A C 1 ATOM 765 O O . LEU A 1 99 ? -11.314 -7.168 -2.235 1.00 16.22 ? 108 LEU A O 1 ATOM 766 C CB . LEU A 1 99 ? -11.412 -3.928 -2.646 1.00 14.37 ? 108 LEU A CB 1 ATOM 767 C CG . LEU A 1 99 ? -11.549 -2.764 -3.622 1.00 15.53 ? 108 LEU A CG 1 ATOM 768 C CD1 . LEU A 1 99 ? -12.528 -1.760 -3.068 1.00 16.84 ? 108 LEU A CD1 1 ATOM 769 C CD2 . LEU A 1 99 ? -10.182 -2.115 -3.930 1.00 14.88 ? 108 LEU A CD2 1 ATOM 770 N N . GLU A 1 100 ? -9.643 -6.025 -1.165 1.00 16.48 ? 109 GLU A N 1 ATOM 771 C CA . GLU A 1 100 ? -9.470 -6.989 -0.058 1.00 17.40 ? 109 GLU A CA 1 ATOM 772 C C . GLU A 1 100 ? -10.677 -7.028 0.880 1.00 23.37 ? 109 GLU A C 1 ATOM 773 O O . GLU A 1 100 ? -10.851 -7.986 1.631 1.00 24.35 ? 109 GLU A O 1 ATOM 774 C CB . GLU A 1 100 ? -8.211 -6.621 0.720 1.00 19.15 ? 109 GLU A CB 1 ATOM 775 C CG . GLU A 1 100 ? -6.960 -7.162 0.052 1.00 25.44 ? 109 GLU A CG 1 ATOM 776 C CD . GLU A 1 100 ? -5.644 -6.742 0.682 1.00 55.67 ? 109 GLU A CD 1 ATOM 777 O OE1 . GLU A 1 100 ? -4.589 -7.197 0.185 1.00 58.17 ? 109 GLU A OE1 1 ATOM 778 O OE2 . GLU A 1 100 ? -5.660 -5.951 1.654 1.00 57.62 ? 109 GLU A OE2 1 ATOM 779 N N . THR A 1 101 ? -11.479 -5.961 0.897 1.00 17.17 ? 110 THR A N 1 ATOM 780 C CA . THR A 1 101 ? -12.646 -5.913 1.742 1.00 19.28 ? 110 THR A CA 1 ATOM 781 C C . THR A 1 101 ? -13.797 -5.320 0.953 1.00 21.84 ? 110 THR A C 1 ATOM 782 O O . THR A 1 101 ? -13.576 -4.710 -0.096 1.00 21.66 ? 110 THR A O 1 ATOM 783 C CB . THR A 1 101 ? -12.379 -5.029 3.000 1.00 30.36 ? 110 THR A CB 1 ATOM 784 O OG1 . THR A 1 101 ? -12.512 -3.664 2.651 1.00 28.73 ? 110 THR A OG1 1 ATOM 785 C CG2 . THR A 1 101 ? -10.999 -5.171 3.555 1.00 34.59 ? 110 THR A CG2 1 ATOM 786 N N . THR A 1 102 ? -15.025 -5.490 1.445 1.00 19.62 ? 111 THR A N 1 ATOM 787 C CA . THR A 1 102 ? -16.157 -4.796 0.855 1.00 19.74 ? 111 THR A CA 1 ATOM 788 C C . THR A 1 102 ? -16.087 -3.313 1.269 1.00 23.61 ? 111 THR A C 1 ATOM 789 O O . THR A 1 102 ? -15.300 -2.934 2.134 1.00 26.38 ? 111 THR A O 1 ATOM 790 C CB . THR A 1 102 ? -17.472 -5.476 1.174 1.00 27.47 ? 111 THR A CB 1 ATOM 791 O OG1 . THR A 1 102 ? -17.577 -5.583 2.596 1.00 28.57 ? 111 THR A OG1 1 ATOM 792 C CG2 . THR A 1 102 ? -17.598 -6.840 0.494 1.00 31.36 ? 111 THR A CG2 1 ATOM 793 N N . VAL A 1 103 ? -16.813 -2.457 0.560 1.00 18.95 ? 112 VAL A N 1 ATOM 794 C CA . VAL A 1 103 ? -16.873 -1.028 0.821 1.00 19.93 ? 112 VAL A CA 1 ATOM 795 C C . VAL A 1 103 ? -18.236 -0.751 1.402 1.00 22.91 ? 112 VAL A C 1 ATOM 796 O O . VAL A 1 103 ? -19.252 -1.053 0.755 1.00 23.37 ? 112 VAL A O 1 ATOM 797 C CB . VAL A 1 103 ? -16.732 -0.234 -0.519 1.00 24.18 ? 112 VAL A CB 1 ATOM 798 C CG1 . VAL A 1 103 ? -16.826 1.279 -0.287 1.00 24.23 ? 112 VAL A CG1 1 ATOM 799 C CG2 . VAL A 1 103 ? -15.433 -0.601 -1.240 1.00 24.49 ? 112 VAL A CG2 1 ATOM 800 N N . ASN A 1 104 ? -18.274 -0.122 2.581 1.00 18.55 ? 113 ASN A N 1 ATOM 801 C CA . ASN A 1 104 ? -19.545 0.327 3.129 1.00 17.47 ? 113 ASN A CA 1 ATOM 802 C C . ASN A 1 104 ? -19.801 1.663 2.461 1.00 21.09 ? 113 ASN A C 1 ATOM 803 O O . ASN A 1 104 ? -18.922 2.517 2.458 1.00 23.75 ? 113 ASN A O 1 ATOM 804 C CB . ASN A 1 104 ? -19.457 0.487 4.639 1.00 18.23 ? 113 ASN A CB 1 ATOM 805 C CG . ASN A 1 104 ? -19.630 -0.824 5.333 1.00 25.36 ? 113 ASN A CG 1 ATOM 806 O OD1 . ASN A 1 104 ? -20.129 -1.806 4.765 1.00 24.78 ? 113 ASN A OD1 1 ATOM 807 N ND2 . ASN A 1 104 ? -19.233 -0.861 6.598 1.00 23.78 ? 113 ASN A ND2 1 ATOM 808 N N . TYR A 1 105 ? -20.986 1.843 1.903 1.00 17.88 ? 114 TYR A N 1 ATOM 809 C CA . TYR A 1 105 ? -21.280 3.076 1.203 1.00 17.78 ? 114 TYR A CA 1 ATOM 810 C C . TYR A 1 105 ? -21.699 4.170 2.141 1.00 24.28 ? 114 TYR A C 1 ATOM 811 O O . TYR A 1 105 ? -22.485 3.949 3.077 1.00 24.80 ? 114 TYR A O 1 ATOM 812 C CB . TYR A 1 105 ? -22.339 2.863 0.128 1.00 18.32 ? 114 TYR A CB 1 ATOM 813 C CG . TYR A 1 105 ? -22.036 1.780 -0.888 1.00 18.42 ? 114 TYR A CG 1 ATOM 814 C CD1 . TYR A 1 105 ? -20.731 1.559 -1.341 1.00 20.82 ? 114 TYR A CD1 1 ATOM 815 C CD2 . TYR A 1 105 ? -23.059 1.022 -1.451 1.00 19.34 ? 114 TYR A CD2 1 ATOM 816 C CE1 . TYR A 1 105 ? -20.453 0.577 -2.294 1.00 21.78 ? 114 TYR A CE1 1 ATOM 817 C CE2 . TYR A 1 105 ? -22.802 0.075 -2.433 1.00 21.45 ? 114 TYR A CE2 1 ATOM 818 C CZ . TYR A 1 105 ? -21.492 -0.170 -2.832 1.00 23.60 ? 114 TYR A CZ 1 ATOM 819 O OH . TYR A 1 105 ? -21.232 -1.118 -3.803 1.00 27.78 ? 114 TYR A OH 1 ATOM 820 N N . THR A 1 106 ? -21.183 5.356 1.882 1.00 20.96 ? 115 THR A N 1 ATOM 821 C CA . THR A 1 106 ? -21.447 6.560 2.661 1.00 21.96 ? 115 THR A CA 1 ATOM 822 C C . THR A 1 106 ? -21.640 7.697 1.630 1.00 29.57 ? 115 THR A C 1 ATOM 823 O O . THR A 1 106 ? -21.585 7.457 0.418 1.00 29.48 ? 115 THR A O 1 ATOM 824 C CB . THR A 1 106 ? -20.271 6.865 3.640 1.00 25.99 ? 115 THR A CB 1 ATOM 825 O OG1 . THR A 1 106 ? -19.124 7.327 2.927 1.00 23.95 ? 115 THR A OG1 1 ATOM 826 C CG2 . THR A 1 106 ? -19.861 5.678 4.529 1.00 24.68 ? 115 THR A CG2 1 ATOM 827 N N . ASP A 1 107 ? -21.864 8.920 2.116 1.00 31.09 ? 116 ASP A N 1 ATOM 828 C CA . ASP A 1 107 ? -21.972 10.118 1.282 1.00 31.86 ? 116 ASP A CA 1 ATOM 829 C C . ASP A 1 107 ? -20.652 10.355 0.556 1.00 33.88 ? 116 ASP A C 1 ATOM 830 O O . ASP A 1 107 ? -20.650 10.893 -0.549 1.00 34.33 ? 116 ASP A O 1 ATOM 831 C CB . ASP A 1 107 ? -22.256 11.350 2.164 1.00 35.12 ? 116 ASP A CB 1 ATOM 832 C CG . ASP A 1 107 ? -21.309 11.541 3.341 1.00 50.17 ? 116 ASP A CG 1 ATOM 833 O OD1 . ASP A 1 107 ? -21.382 10.745 4.297 1.00 52.43 ? 116 ASP A OD1 1 ATOM 834 O OD2 . ASP A 1 107 ? -20.532 12.515 3.326 1.00 57.79 ? 116 ASP A OD2 1 ATOM 835 N N . SER A 1 108 ? -19.535 9.955 1.177 1.00 27.31 ? 117 SER A N 1 ATOM 836 C CA . SER A 1 108 ? -18.222 10.194 0.588 1.00 24.92 ? 117 SER A CA 1 ATOM 837 C C . SER A 1 108 ? -17.729 9.063 -0.314 1.00 21.55 ? 117 SER A C 1 ATOM 838 O O . SER A 1 108 ? -16.732 9.257 -1.004 1.00 21.95 ? 117 SER A O 1 ATOM 839 C CB . SER A 1 108 ? -17.189 10.532 1.664 1.00 30.24 ? 117 SER A CB 1 ATOM 840 O OG . SER A 1 108 ? -16.956 9.457 2.559 1.00 38.81 ? 117 SER A OG 1 ATOM 841 N N . GLN A 1 109 ? -18.376 7.877 -0.279 1.00 16.05 ? 118 GLN A N 1 ATOM 842 C CA . GLN A 1 109 ? -17.968 6.730 -1.065 1.00 16.23 ? 118 GLN A CA 1 ATOM 843 C C . GLN A 1 109 ? -19.146 5.856 -1.462 1.00 16.83 ? 118 GLN A C 1 ATOM 844 O O . GLN A 1 109 ? -19.823 5.268 -0.610 1.00 18.65 ? 118 GLN A O 1 ATOM 845 C CB . GLN A 1 109 ? -16.891 5.919 -0.343 1.00 18.72 ? 118 GLN A CB 1 ATOM 846 C CG . GLN A 1 109 ? -17.288 5.290 0.971 1.00 24.69 ? 118 GLN A CG 1 ATOM 847 C CD . GLN A 1 109 ? -16.066 4.758 1.657 1.00 28.06 ? 118 GLN A CD 1 ATOM 848 O OE1 . GLN A 1 109 ? -14.990 5.385 1.640 1.00 23.24 ? 118 GLN A OE1 1 ATOM 849 N NE2 . GLN A 1 109 ? -16.244 3.649 2.330 1.00 24.35 ? 118 GLN A NE2 1 ATOM 850 N N . ARG A 1 110 ? -19.466 5.839 -2.757 1.00 14.05 ? 119 ARG A N 1 ATOM 851 C CA . ARG A 1 110 ? -20.580 5.037 -3.227 1.00 14.45 ? 119 ARG A CA 1 ATOM 852 C C . ARG A 1 110 ? -20.349 4.719 -4.702 1.00 14.69 ? 119 ARG A C 1 ATOM 853 O O . ARG A 1 110 ? -19.530 5.395 -5.337 1.00 14.51 ? 119 ARG A O 1 ATOM 854 C CB . ARG A 1 110 ? -21.949 5.705 -2.974 1.00 17.50 ? 119 ARG A CB 1 ATOM 855 C CG . ARG A 1 110 ? -22.175 7.060 -3.617 1.00 20.53 ? 119 ARG A CG 1 ATOM 856 C CD . ARG A 1 110 ? -22.708 6.911 -5.038 1.00 21.77 ? 119 ARG A CD 1 ATOM 857 N NE . ARG A 1 110 ? -23.443 8.083 -5.506 1.00 24.68 ? 119 ARG A NE 1 ATOM 858 C CZ . ARG A 1 110 ? -23.973 8.180 -6.721 1.00 31.02 ? 119 ARG A CZ 1 ATOM 859 N NH1 . ARG A 1 110 ? -23.822 7.197 -7.600 1.00 19.81 ? 119 ARG A NH1 1 ATOM 860 N NH2 . ARG A 1 110 ? -24.666 9.260 -7.065 1.00 23.39 ? 119 ARG A NH2 1 ATOM 861 N N . PRO A 1 111 ? -21.021 3.707 -5.235 1.00 13.51 ? 120 PRO A N 1 ATOM 862 C CA . PRO A 1 111 ? -20.780 3.310 -6.614 1.00 13.18 ? 120 PRO A CA 1 ATOM 863 C C . PRO A 1 111 ? -21.462 4.183 -7.625 1.00 16.11 ? 120 PRO A C 1 ATOM 864 O O . PRO A 1 111 ? -22.525 4.747 -7.346 1.00 17.47 ? 120 PRO A O 1 ATOM 865 C CB . PRO A 1 111 ? -21.338 1.878 -6.690 1.00 15.12 ? 120 PRO A CB 1 ATOM 866 C CG . PRO A 1 111 ? -22.392 1.836 -5.644 1.00 19.72 ? 120 PRO A CG 1 ATOM 867 C CD . PRO A 1 111 ? -22.041 2.841 -4.587 1.00 15.47 ? 120 PRO A CD 1 ATOM 868 N N . ILE A 1 112 ? -20.904 4.212 -8.834 1.00 13.19 ? 121 ILE A N 1 ATOM 869 C CA . ILE A 1 112 ? -21.563 4.836 -9.958 1.00 12.49 ? 121 ILE A CA 1 ATOM 870 C C . ILE A 1 112 ? -22.145 3.704 -10.817 1.00 14.08 ? 121 ILE A C 1 ATOM 871 O O . ILE A 1 112 ? -21.508 2.665 -11.009 1.00 13.97 ? 121 ILE A O 1 ATOM 872 C CB . ILE A 1 112 ? -20.603 5.750 -10.758 1.00 13.56 ? 121 ILE A CB 1 ATOM 873 C CG1 . ILE A 1 112 ? -21.364 6.398 -11.942 1.00 14.47 ? 121 ILE A CG1 1 ATOM 874 C CG2 . ILE A 1 112 ? -19.338 4.990 -11.242 1.00 12.11 ? 121 ILE A CG2 1 ATOM 875 C CD1 . ILE A 1 112 ? -20.571 7.576 -12.607 1.00 15.32 ? 121 ILE A CD1 1 ATOM 876 N N . SER A 1 113 ? -23.379 3.917 -11.323 1.00 13.04 ? 122 SER A N 1 ATOM 877 C CA A SER A 1 113 ? -24.043 2.952 -12.174 0.50 13.66 ? 122 SER A CA 1 ATOM 878 C CA B SER A 1 113 ? -24.048 2.963 -12.184 0.50 13.79 ? 122 SER A CA 1 ATOM 879 C C . SER A 1 113 ? -23.309 2.828 -13.505 1.00 15.08 ? 122 SER A C 1 ATOM 880 O O . SER A 1 113 ? -22.800 3.822 -14.027 1.00 14.87 ? 122 SER A O 1 ATOM 881 C CB A SER A 1 113 ? -25.457 3.428 -12.472 0.50 16.88 ? 122 SER A CB 1 ATOM 882 C CB B SER A 1 113 ? -25.444 3.477 -12.496 0.50 17.30 ? 122 SER A CB 1 ATOM 883 O OG A SER A 1 113 ? -26.107 2.494 -13.317 0.50 18.82 ? 122 SER A OG 1 ATOM 884 O OG B SER A 1 113 ? -26.205 3.478 -11.303 0.50 22.46 ? 122 SER A OG 1 ATOM 885 N N . LEU A 1 114 ? -23.301 1.618 -14.061 1.00 14.79 ? 123 LEU A N 1 ATOM 886 C CA . LEU A 1 114 ? -22.745 1.412 -15.382 1.00 16.18 ? 123 LEU A CA 1 ATOM 887 C C . LEU A 1 114 ? -23.803 1.946 -16.354 1.00 21.76 ? 123 LEU A C 1 ATOM 888 O O . LEU A 1 114 ? -24.988 2.038 -16.004 1.00 22.79 ? 123 LEU A O 1 ATOM 889 C CB . LEU A 1 114 ? -22.517 -0.079 -15.624 1.00 17.34 ? 123 LEU A CB 1 ATOM 890 C CG . LEU A 1 114 ? -21.445 -0.725 -14.742 1.00 20.10 ? 123 LEU A CG 1 ATOM 891 C CD1 . LEU A 1 114 ? -21.270 -2.189 -15.137 1.00 22.21 ? 123 LEU A CD1 1 ATOM 892 C CD2 . LEU A 1 114 ? -20.081 -0.012 -14.910 1.00 19.33 ? 123 LEU A CD2 1 ATOM 893 N N . PRO A 1 115 ? -23.429 2.304 -17.580 1.00 19.53 ? 124 PRO A N 1 ATOM 894 C CA . PRO A 1 115 ? -24.453 2.762 -18.528 1.00 20.09 ? 124 PRO A CA 1 ATOM 895 C C . PRO A 1 115 ? -25.330 1.600 -18.925 1.00 27.62 ? 124 PRO A C 1 ATOM 896 O O . PRO A 1 115 ? -24.915 0.431 -18.847 1.00 25.06 ? 124 PRO A O 1 ATOM 897 C CB . PRO A 1 115 ? -23.655 3.315 -19.717 1.00 21.48 ? 124 PRO A CB 1 ATOM 898 C CG . PRO A 1 115 ? -22.240 3.049 -19.424 1.00 25.37 ? 124 PRO A CG 1 ATOM 899 C CD . PRO A 1 115 ? -22.088 2.235 -18.202 1.00 20.52 ? 124 PRO A CD 1 ATOM 900 N N . SER A 1 116 ? -26.568 1.925 -19.261 1.00 32.03 ? 125 SER A N 1 ATOM 901 C CA . SER A 1 116 ? -27.546 0.928 -19.646 1.00 34.76 ? 125 SER A CA 1 ATOM 902 C C . SER A 1 116 ? -27.345 0.526 -21.110 1.00 40.72 ? 125 SER A C 1 ATOM 903 O O . SER A 1 116 ? -27.173 1.388 -21.973 1.00 38.08 ? 125 SER A O 1 ATOM 904 C CB . SER A 1 116 ? -28.956 1.469 -19.419 1.00 40.88 ? 125 SER A CB 1 ATOM 905 O OG . SER A 1 116 ? -29.928 0.655 -20.051 1.00 56.32 ? 125 SER A OG 1 ATOM 906 N N . LYS A 1 117 ? -27.419 -0.787 -21.386 1.00 41.76 ? 126 LYS A N 1 ATOM 907 C CA . LYS A 1 117 ? -27.328 -1.349 -22.742 1.00 42.67 ? 126 LYS A CA 1 ATOM 908 C C . LYS A 1 117 ? -28.507 -0.857 -23.616 1.00 49.89 ? 126 LYS A C 1 ATOM 909 O O . LYS A 1 117 ? -28.382 -0.801 -24.842 1.00 48.76 ? 126 LYS A O 1 ATOM 910 C CB . LYS A 1 117 ? -27.265 -2.886 -22.699 1.00 44.96 ? 126 LYS A CB 1 ATOM 911 C CG . LYS A 1 117 ? -25.977 -3.432 -22.082 1.00 54.63 ? 126 LYS A CG 1 ATOM 912 N N . GLY A 1 118 ? -29.607 -0.466 -22.956 1.00 49.05 ? 127 GLY A N 1 ATOM 913 C CA . GLY A 1 118 ? -30.792 0.119 -23.575 1.00 49.96 ? 127 GLY A CA 1 ATOM 914 C C . GLY A 1 118 ? -30.570 1.588 -23.881 1.00 57.48 ? 127 GLY A C 1 ATOM 915 O O . GLY A 1 118 ? -31.286 2.181 -24.694 1.00 57.38 ? 127 GLY A O 1 ATOM 916 N N . ASP A 1 119 ? -29.554 2.184 -23.229 1.00 56.54 ? 128 ASP A N 1 ATOM 917 C CA . ASP A 1 119 ? -29.152 3.574 -23.402 1.00 57.21 ? 128 ASP A CA 1 ATOM 918 C C . ASP A 1 119 ? -27.953 3.684 -24.384 1.00 62.55 ? 128 ASP A C 1 ATOM 919 O O . ASP A 1 119 ? -26.999 4.431 -24.143 1.00 61.86 ? 128 ASP A O 1 ATOM 920 C CB . ASP A 1 119 ? -28.867 4.223 -22.032 1.00 59.24 ? 128 ASP A CB 1 ATOM 921 N N . ARG A 1 120 ? -28.023 2.931 -25.501 1.00 60.24 ? 129 ARG A N 1 ATOM 922 C CA . ARG A 1 120 ? -27.014 2.958 -26.563 1.00 60.24 ? 129 ARG A CA 1 ATOM 923 C C . ARG A 1 120 ? -27.315 4.145 -27.489 1.00 62.96 ? 129 ARG A C 1 ATOM 924 O O . ARG A 1 120 ? -26.391 4.817 -27.953 1.00 62.74 ? 129 ARG A O 1 ATOM 925 C CB . ARG A 1 120 ? -27.016 1.635 -27.345 1.00 61.48 ? 129 ARG A CB 1 ATOM 926 N N . ASN A 1 121 ? -28.623 4.419 -27.711 1.00 58.40 ? 130 ASN A N 1 ATOM 927 C CA . ASN A 1 121 ? -29.149 5.521 -28.527 1.00 57.54 ? 130 ASN A CA 1 ATOM 928 C C . ASN A 1 121 ? -29.306 6.818 -27.692 1.00 58.11 ? 130 ASN A C 1 ATOM 929 O O . ASN A 1 121 ? -29.883 7.806 -28.166 1.00 57.10 ? 130 ASN A O 1 ATOM 930 C CB . ASN A 1 121 ? -30.490 5.107 -29.154 1.00 60.20 ? 130 ASN A CB 1 ATOM 931 N N . VAL A 1 122 ? -28.768 6.808 -26.453 1.00 52.44 ? 131 VAL A N 1 ATOM 932 C CA . VAL A 1 122 ? -28.827 7.940 -25.533 1.00 50.53 ? 131 VAL A CA 1 ATOM 933 C C . VAL A 1 122 ? -27.751 8.969 -25.880 1.00 49.84 ? 131 VAL A C 1 ATOM 934 O O . VAL A 1 122 ? -26.609 8.620 -26.190 1.00 49.07 ? 131 VAL A O 1 ATOM 935 C CB . VAL A 1 122 ? -28.838 7.494 -24.048 1.00 54.53 ? 131 VAL A CB 1 ATOM 936 C CG1 . VAL A 1 122 ? -28.258 8.556 -23.112 1.00 54.33 ? 131 VAL A CG1 1 ATOM 937 C CG2 . VAL A 1 122 ? -30.256 7.137 -23.625 1.00 54.49 ? 131 VAL A CG2 1 ATOM 938 N N . ILE A 1 123 ? -28.177 10.240 -25.885 1.00 43.56 ? 132 ILE A N 1 ATOM 939 C CA . ILE A 1 123 ? -27.392 11.424 -26.181 1.00 42.75 ? 132 ILE A CA 1 ATOM 940 C C . ILE A 1 123 ? -27.003 12.024 -24.821 1.00 40.86 ? 132 ILE A C 1 ATOM 941 O O . ILE A 1 123 ? -27.865 12.602 -24.141 1.00 41.66 ? 132 ILE A O 1 ATOM 942 C CB . ILE A 1 123 ? -28.256 12.407 -27.037 1.00 46.78 ? 132 ILE A CB 1 ATOM 943 C CG1 . ILE A 1 123 ? -28.887 11.701 -28.263 1.00 47.67 ? 132 ILE A CG1 1 ATOM 944 C CG2 . ILE A 1 123 ? -27.475 13.657 -27.452 1.00 47.46 ? 132 ILE A CG2 1 ATOM 945 N N . TYR A 1 124 ? -25.735 11.824 -24.386 1.00 30.81 ? 133 TYR A N 1 ATOM 946 C CA . TYR A 1 124 ? -25.320 12.385 -23.101 1.00 25.64 ? 133 TYR A CA 1 ATOM 947 C C . TYR A 1 124 ? -24.822 13.803 -23.302 1.00 24.28 ? 133 TYR A C 1 ATOM 948 O O . TYR A 1 124 ? -23.883 14.033 -24.073 1.00 22.77 ? 133 TYR A O 1 ATOM 949 C CB . TYR A 1 124 ? -24.239 11.531 -22.421 1.00 23.95 ? 133 TYR A CB 1 ATOM 950 C CG . TYR A 1 124 ? -24.637 10.116 -22.069 1.00 21.36 ? 133 TYR A CG 1 ATOM 951 C CD1 . TYR A 1 124 ? -25.388 9.844 -20.926 1.00 23.09 ? 133 TYR A CD1 1 ATOM 952 C CD2 . TYR A 1 124 ? -24.149 9.038 -22.792 1.00 21.90 ? 133 TYR A CD2 1 ATOM 953 C CE1 . TYR A 1 124 ? -25.664 8.535 -20.537 1.00 22.74 ? 133 TYR A CE1 1 ATOM 954 C CE2 . TYR A 1 124 ? -24.460 7.726 -22.440 1.00 22.01 ? 133 TYR A CE2 1 ATOM 955 C CZ . TYR A 1 124 ? -25.229 7.479 -21.319 1.00 28.08 ? 133 TYR A CZ 1 ATOM 956 O OH . TYR A 1 124 ? -25.508 6.177 -20.972 1.00 31.31 ? 133 TYR A OH 1 ATOM 957 N N . THR A 1 125 ? -25.423 14.754 -22.581 1.00 20.24 ? 134 THR A N 1 ATOM 958 C CA . THR A 1 125 ? -25.074 16.159 -22.689 1.00 20.46 ? 134 THR A CA 1 ATOM 959 C C . THR A 1 125 ? -24.621 16.801 -21.378 1.00 22.42 ? 134 THR A C 1 ATOM 960 O O . THR A 1 125 ? -24.424 18.009 -21.318 1.00 24.10 ? 134 THR A O 1 ATOM 961 C CB . THR A 1 125 ? -26.236 16.955 -23.329 1.00 31.26 ? 134 THR A CB 1 ATOM 962 O OG1 . THR A 1 125 ? -27.344 16.862 -22.450 1.00 30.83 ? 134 THR A OG1 1 ATOM 963 C CG2 . THR A 1 125 ? -26.620 16.433 -24.722 1.00 29.41 ? 134 THR A CG2 1 ATOM 964 N N . ASP A 1 126 ? -24.440 16.005 -20.312 1.00 18.09 ? 135 ASP A N 1 ATOM 965 C CA . ASP A 1 126 ? -24.005 16.537 -19.037 1.00 16.69 ? 135 ASP A CA 1 ATOM 966 C C . ASP A 1 126 ? -22.873 15.634 -18.502 1.00 18.47 ? 135 ASP A C 1 ATOM 967 O O . ASP A 1 126 ? -23.050 14.878 -17.532 1.00 17.69 ? 135 ASP A O 1 ATOM 968 C CB . ASP A 1 126 ? -25.191 16.572 -18.065 1.00 18.89 ? 135 ASP A CB 1 ATOM 969 C CG . ASP A 1 126 ? -24.954 17.381 -16.813 1.00 22.46 ? 135 ASP A CG 1 ATOM 970 O OD1 . ASP A 1 126 ? -23.961 18.148 -16.768 1.00 22.24 ? 135 ASP A OD1 1 ATOM 971 O OD2 . ASP A 1 126 ? -25.805 17.316 -15.897 1.00 28.31 ? 135 ASP A OD2 1 ATOM 972 N N . CYS A 1 127 ? -21.747 15.660 -19.214 1.00 16.45 ? 136 CYS A N 1 ATOM 973 C CA . CYS A 1 127 ? -20.565 14.829 -18.942 1.00 14.80 ? 136 CYS A CA 1 ATOM 974 C C . CYS A 1 127 ? -19.425 15.586 -18.316 1.00 14.68 ? 136 CYS A C 1 ATOM 975 O O . CYS A 1 127 ? -19.082 16.694 -18.749 1.00 14.49 ? 136 CYS A O 1 ATOM 976 C CB . CYS A 1 127 ? -20.112 14.114 -20.199 1.00 15.19 ? 136 CYS A CB 1 ATOM 977 S SG . CYS A 1 127 ? -21.395 13.055 -20.914 1.00 19.08 ? 136 CYS A SG 1 ATOM 978 N N . TRP A 1 128 ? -18.753 14.919 -17.360 1.00 12.83 ? 137 TRP A N 1 ATOM 979 C CA . TRP A 1 128 ? -17.713 15.546 -16.586 1.00 13.25 ? 137 TRP A CA 1 ATOM 980 C C . TRP A 1 128 ? -16.542 14.607 -16.465 1.00 14.24 ? 137 TRP A C 1 ATOM 981 O O . TRP A 1 128 ? -16.750 13.404 -16.263 1.00 15.88 ? 137 TRP A O 1 ATOM 982 C CB . TRP A 1 128 ? -18.250 15.881 -15.171 1.00 13.83 ? 137 TRP A CB 1 ATOM 983 C CG . TRP A 1 128 ? -19.357 16.892 -15.212 1.00 15.17 ? 137 TRP A CG 1 ATOM 984 C CD1 . TRP A 1 128 ? -20.652 16.682 -15.596 1.00 17.62 ? 137 TRP A CD1 1 ATOM 985 C CD2 . TRP A 1 128 ? -19.254 18.268 -14.881 1.00 15.49 ? 137 TRP A CD2 1 ATOM 986 N NE1 . TRP A 1 128 ? -21.360 17.854 -15.527 1.00 17.70 ? 137 TRP A NE1 1 ATOM 987 C CE2 . TRP A 1 128 ? -20.524 18.849 -15.109 1.00 18.91 ? 137 TRP A CE2 1 ATOM 988 C CE3 . TRP A 1 128 ? -18.191 19.097 -14.507 1.00 16.90 ? 137 TRP A CE3 1 ATOM 989 C CZ2 . TRP A 1 128 ? -20.772 20.212 -14.900 1.00 19.15 ? 137 TRP A CZ2 1 ATOM 990 C CZ3 . TRP A 1 128 ? -18.441 20.446 -14.281 1.00 18.06 ? 137 TRP A CZ3 1 ATOM 991 C CH2 . TRP A 1 128 ? -19.715 20.990 -14.497 1.00 18.32 ? 137 TRP A CH2 1 ATOM 992 N N . VAL A 1 129 ? -15.324 15.153 -16.617 1.00 11.05 ? 138 VAL A N 1 ATOM 993 C CA . VAL A 1 129 ? -14.085 14.383 -16.372 1.00 9.75 ? 138 VAL A CA 1 ATOM 994 C C . VAL A 1 129 ? -13.473 14.941 -15.085 1.00 12.37 ? 138 VAL A C 1 ATOM 995 O O . VAL A 1 129 ? -13.443 16.169 -14.861 1.00 12.49 ? 138 VAL A O 1 ATOM 996 C CB . VAL A 1 129 ? -13.112 14.408 -17.569 1.00 13.04 ? 138 VAL A CB 1 ATOM 997 C CG1 . VAL A 1 129 ? -12.593 15.817 -17.873 1.00 14.79 ? 138 VAL A CG1 1 ATOM 998 C CG2 . VAL A 1 129 ? -11.965 13.412 -17.376 1.00 13.97 ? 138 VAL A CG2 1 ATOM 999 N N . THR A 1 130 ? -12.999 14.047 -14.216 1.00 10.15 ? 139 THR A N 1 ATOM 1000 C CA . THR A 1 130 ? -12.493 14.439 -12.914 1.00 10.09 ? 139 THR A CA 1 ATOM 1001 C C . THR A 1 130 ? -11.148 13.777 -12.624 1.00 11.84 ? 139 THR A C 1 ATOM 1002 O O . THR A 1 130 ? -10.853 12.690 -13.137 1.00 12.34 ? 139 THR A O 1 ATOM 1003 C CB . THR A 1 130 ? -13.521 14.021 -11.817 1.00 12.68 ? 139 THR A CB 1 ATOM 1004 O OG1 . THR A 1 130 ? -13.902 12.656 -12.029 1.00 12.18 ? 139 THR A OG1 1 ATOM 1005 C CG2 . THR A 1 130 ? -14.775 14.906 -11.850 1.00 13.54 ? 139 THR A CG2 1 ATOM 1006 N N . GLY A 1 131 ? -10.345 14.424 -11.797 1.00 11.32 ? 140 GLY A N 1 ATOM 1007 C CA . GLY A 1 131 ? -9.071 13.818 -11.435 1.00 11.47 ? 140 GLY A CA 1 ATOM 1008 C C . GLY A 1 131 ? -8.141 14.794 -10.783 1.00 12.65 ? 140 GLY A C 1 ATOM 1009 O O . GLY A 1 131 ? -8.433 16.001 -10.712 1.00 12.52 ? 140 GLY A O 1 ATOM 1010 N N . TRP A 1 132 ? -7.014 14.243 -10.321 1.00 10.80 ? 141 TRP A N 1 ATOM 1011 C CA . TRP A 1 132 ? -5.939 15.012 -9.669 1.00 12.04 ? 141 TRP A CA 1 ATOM 1012 C C . TRP A 1 132 ? -4.775 15.246 -10.634 1.00 14.60 ? 141 TRP A C 1 ATOM 1013 O O . TRP A 1 132 ? -3.693 15.583 -10.199 1.00 15.00 ? 141 TRP A O 1 ATOM 1014 C CB . TRP A 1 132 ? -5.439 14.261 -8.440 1.00 11.30 ? 141 TRP A CB 1 ATOM 1015 C CG . TRP A 1 132 ? -6.407 14.222 -7.299 1.00 10.72 ? 141 TRP A CG 1 ATOM 1016 C CD1 . TRP A 1 132 ? -6.532 15.145 -6.299 1.00 13.04 ? 141 TRP A CD1 1 ATOM 1017 C CD2 . TRP A 1 132 ? -7.377 13.188 -7.020 1.00 10.44 ? 141 TRP A CD2 1 ATOM 1018 N NE1 . TRP A 1 132 ? -7.472 14.727 -5.377 1.00 12.32 ? 141 TRP A NE1 1 ATOM 1019 C CE2 . TRP A 1 132 ? -8.050 13.556 -5.828 1.00 13.00 ? 141 TRP A CE2 1 ATOM 1020 C CE3 . TRP A 1 132 ? -7.761 12.001 -7.685 1.00 11.50 ? 141 TRP A CE3 1 ATOM 1021 C CZ2 . TRP A 1 132 ? -9.069 12.758 -5.266 1.00 12.22 ? 141 TRP A CZ2 1 ATOM 1022 C CZ3 . TRP A 1 132 ? -8.767 11.219 -7.140 1.00 11.97 ? 141 TRP A CZ3 1 ATOM 1023 C CH2 . TRP A 1 132 ? -9.423 11.599 -5.946 1.00 11.76 ? 141 TRP A CH2 1 ATOM 1024 N N . GLY A 1 133 ? -5.000 15.080 -11.917 1.00 13.85 ? 142 GLY A N 1 ATOM 1025 C CA . GLY A 1 133 ? -3.939 15.222 -12.897 1.00 14.08 ? 142 GLY A CA 1 ATOM 1026 C C . GLY A 1 133 ? -3.452 16.622 -13.143 1.00 15.87 ? 142 GLY A C 1 ATOM 1027 O O . GLY A 1 133 ? -3.974 17.601 -12.624 1.00 15.68 ? 142 GLY A O 1 ATOM 1028 N N . TYR A 1 134 ? -2.448 16.707 -14.014 1.00 13.70 ? 143 TYR A N 1 ATOM 1029 C CA . TYR A 1 134 ? -1.798 17.967 -14.376 1.00 14.80 ? 143 TYR A CA 1 ATOM 1030 C C . TYR A 1 134 ? -2.779 18.956 -14.979 1.00 15.97 ? 143 TYR A C 1 ATOM 1031 O O . TYR A 1 134 ? -3.763 18.555 -15.596 1.00 15.53 ? 143 TYR A O 1 ATOM 1032 C CB . TYR A 1 134 ? -0.776 17.643 -15.458 1.00 16.09 ? 143 TYR A CB 1 ATOM 1033 C CG . TYR A 1 134 ? 0.491 16.899 -15.091 1.00 17.35 ? 143 TYR A CG 1 ATOM 1034 C CD1 . TYR A 1 134 ? 0.597 16.186 -13.893 1.00 18.11 ? 143 TYR A CD1 1 ATOM 1035 C CD2 . TYR A 1 134 ? 1.560 16.840 -15.981 1.00 18.00 ? 143 TYR A CD2 1 ATOM 1036 C CE1 . TYR A 1 134 ? 1.757 15.467 -13.578 1.00 18.59 ? 143 TYR A CE1 1 ATOM 1037 C CE2 . TYR A 1 134 ? 2.700 16.103 -15.693 1.00 18.97 ? 143 TYR A CE2 1 ATOM 1038 C CZ . TYR A 1 134 ? 2.797 15.419 -14.495 1.00 23.79 ? 143 TYR A CZ 1 ATOM 1039 O OH . TYR A 1 134 ? 3.946 14.720 -14.226 1.00 25.60 ? 143 TYR A OH 1 ATOM 1040 N N . ARG A 1 135 ? -2.456 20.255 -14.886 1.00 15.39 ? 145 ARG A N 1 ATOM 1041 C CA . ARG A 1 135 ? -3.275 21.332 -15.449 1.00 17.24 ? 145 ARG A CA 1 ATOM 1042 C C . ARG A 1 135 ? -2.717 21.751 -16.835 1.00 20.81 ? 145 ARG A C 1 ATOM 1043 O O . ARG A 1 135 ? -3.343 22.538 -17.530 1.00 21.71 ? 145 ARG A O 1 ATOM 1044 C CB . ARG A 1 135 ? -3.302 22.529 -14.483 1.00 20.41 ? 145 ARG A CB 1 ATOM 1045 C CG . ARG A 1 135 ? -4.178 22.294 -13.267 1.00 29.46 ? 145 ARG A CG 1 ATOM 1046 C CD . ARG A 1 135 ? -4.592 23.600 -12.594 1.00 40.87 ? 145 ARG A CD 1 ATOM 1047 N NE . ARG A 1 135 ? -5.992 23.936 -12.876 1.00 49.92 ? 145 ARG A NE 1 ATOM 1048 C CZ . ARG A 1 135 ? -6.392 24.971 -13.610 1.00 63.74 ? 145 ARG A CZ 1 ATOM 1049 N NH1 . ARG A 1 135 ? -7.684 25.185 -13.816 1.00 46.80 ? 145 ARG A NH1 1 ATOM 1050 N NH2 . ARG A 1 135 ? -5.503 25.807 -14.134 1.00 56.32 ? 145 ARG A NH2 1 ATOM 1051 N N . LYS A 1 136 ? -1.565 21.195 -17.217 1.00 19.91 ? 146 LYS A N 1 ATOM 1052 C CA . LYS A 1 136 ? -0.893 21.413 -18.509 1.00 20.17 ? 146 LYS A CA 1 ATOM 1053 C C . LYS A 1 136 ? 0.128 20.291 -18.673 1.00 23.98 ? 146 LYS A C 1 ATOM 1054 O O . LYS A 1 136 ? 0.455 19.624 -17.684 1.00 21.57 ? 146 LYS A O 1 ATOM 1055 C CB . LYS A 1 136 ? -0.247 22.825 -18.600 1.00 22.52 ? 146 LYS A CB 1 ATOM 1056 C CG . LYS A 1 136 ? 0.910 23.087 -17.653 1.00 22.71 ? 146 LYS A CG 1 ATOM 1057 C CD . LYS A 1 136 ? 1.386 24.560 -17.779 1.00 32.42 ? 146 LYS A CD 1 ATOM 1058 C CE . LYS A 1 136 ? 2.604 24.868 -16.942 1.00 34.06 ? 146 LYS A CE 1 ATOM 1059 N NZ . LYS A 1 136 ? 2.328 24.768 -15.479 1.00 46.83 ? 146 LYS A NZ 1 ATOM 1060 N N . LEU A 1 137 ? 0.666 20.095 -19.894 1.00 22.91 ? 147 LEU A N 1 ATOM 1061 C CA . LEU A 1 137 ? 1.592 19.009 -20.190 1.00 23.98 ? 147 LEU A CA 1 ATOM 1062 C C . LEU A 1 137 ? 2.710 18.870 -19.190 1.00 26.60 ? 147 LEU A C 1 ATOM 1063 O O . LEU A 1 137 ? 2.953 17.760 -18.719 1.00 26.43 ? 147 LEU A O 1 ATOM 1064 C CB . LEU A 1 137 ? 2.137 19.132 -21.635 1.00 24.31 ? 147 LEU A CB 1 ATOM 1065 C CG . LEU A 1 137 ? 2.475 17.824 -22.372 1.00 31.00 ? 147 LEU A CG 1 ATOM 1066 C CD1 . LEU A 1 137 ? 1.318 16.828 -22.349 1.00 31.68 ? 147 LEU A CD1 1 ATOM 1067 C CD2 . LEU A 1 137 ? 2.832 18.120 -23.816 1.00 33.07 ? 147 LEU A CD2 1 ATOM 1068 N N . ARG A 1 138 ? 3.384 19.977 -18.826 1.00 23.17 ? 148 ARG A N 1 ATOM 1069 C CA . ARG A 1 138 ? 4.470 19.920 -17.846 1.00 23.71 ? 148 ARG A CA 1 ATOM 1070 C C . ARG A 1 138 ? 3.961 20.578 -16.594 1.00 28.33 ? 148 ARG A C 1 ATOM 1071 O O . ARG A 1 138 ? 3.878 21.807 -16.511 1.00 29.66 ? 148 ARG A O 1 ATOM 1072 C CB . ARG A 1 138 ? 5.758 20.614 -18.359 1.00 26.33 ? 148 ARG A CB 1 ATOM 1073 C CG . ARG A 1 138 ? 6.993 20.287 -17.506 1.00 39.38 ? 148 ARG A CG 1 ATOM 1074 C CD . ARG A 1 138 ? 7.630 21.538 -16.923 1.00 56.79 ? 148 ARG A CD 1 ATOM 1075 N NE . ARG A 1 138 ? 8.722 21.236 -15.991 1.00 70.48 ? 148 ARG A NE 1 ATOM 1076 C CZ . ARG A 1 138 ? 9.993 21.047 -16.341 1.00 86.57 ? 148 ARG A CZ 1 ATOM 1077 N NH1 . ARG A 1 138 ? 10.356 21.108 -17.618 1.00 75.39 ? 148 ARG A NH1 1 ATOM 1078 N NH2 . ARG A 1 138 ? 10.911 20.789 -15.417 1.00 71.94 ? 148 ARG A NH2 1 ATOM 1079 N N . ASP A 1 139 ? 3.553 19.762 -15.638 1.00 22.57 ? 149 ASP A N 1 ATOM 1080 C CA . ASP A 1 139 ? 2.965 20.265 -14.411 1.00 21.90 ? 149 ASP A CA 1 ATOM 1081 C C . ASP A 1 139 ? 3.174 19.252 -13.284 1.00 25.23 ? 149 ASP A C 1 ATOM 1082 O O . ASP A 1 139 ? 4.162 18.514 -13.282 1.00 24.55 ? 149 ASP A O 1 ATOM 1083 C CB . ASP A 1 139 ? 1.477 20.565 -14.649 1.00 24.28 ? 149 ASP A CB 1 ATOM 1084 C CG . ASP A 1 139 ? 0.831 21.499 -13.658 1.00 31.86 ? 149 ASP A CG 1 ATOM 1085 O OD1 . ASP A 1 139 ? 1.559 22.329 -13.043 1.00 34.09 ? 149 ASP A OD1 1 ATOM 1086 O OD2 . ASP A 1 139 ? -0.389 21.416 -13.493 1.00 27.51 ? 149 ASP A OD2 1 ATOM 1087 N N . LYS A 1 140 ? 2.252 19.211 -12.319 1.00 22.23 ? 150 LYS A N 1 ATOM 1088 C CA . LYS A 1 140 ? 2.355 18.276 -11.210 1.00 22.12 ? 150 LYS A CA 1 ATOM 1089 C C . LYS A 1 140 ? 0.947 17.861 -10.876 1.00 22.90 ? 150 LYS A C 1 ATOM 1090 O O . LYS A 1 140 ? -0.005 18.525 -11.307 1.00 20.19 ? 150 LYS A O 1 ATOM 1091 C CB . LYS A 1 140 ? 2.982 18.970 -9.979 1.00 25.32 ? 150 LYS A CB 1 ATOM 1092 C CG . LYS A 1 140 ? 2.373 20.327 -9.635 1.00 36.55 ? 150 LYS A CG 1 ATOM 1093 C CD . LYS A 1 140 ? 2.937 20.934 -8.349 1.00 45.25 ? 150 LYS A CD 1 ATOM 1094 C CE . LYS A 1 140 ? 2.123 22.128 -7.900 1.00 53.02 ? 150 LYS A CE 1 ATOM 1095 N NZ . LYS A 1 140 ? 0.788 21.726 -7.377 1.00 69.62 ? 150 LYS A NZ 1 ATOM 1096 N N . ILE A 1 141 ? 0.822 16.792 -10.074 1.00 20.36 ? 151 ILE A N 1 ATOM 1097 C CA . ILE A 1 141 ? -0.492 16.343 -9.593 1.00 19.22 ? 151 ILE A CA 1 ATOM 1098 C C . ILE A 1 141 ? -1.085 17.476 -8.761 1.00 20.60 ? 151 ILE A C 1 ATOM 1099 O O . ILE A 1 141 ? -0.350 18.212 -8.075 1.00 21.70 ? 151 ILE A O 1 ATOM 1100 C CB . ILE A 1 141 ? -0.296 15.032 -8.794 1.00 21.93 ? 151 ILE A CB 1 ATOM 1101 C CG1 . ILE A 1 141 ? 0.172 13.871 -9.720 1.00 21.49 ? 151 ILE A CG1 1 ATOM 1102 C CG2 . ILE A 1 141 ? -1.504 14.609 -7.917 1.00 26.16 ? 151 ILE A CG2 1 ATOM 1103 C CD1 . ILE A 1 141 ? -0.681 13.508 -10.914 1.00 24.57 ? 151 ILE A CD1 1 ATOM 1104 N N . GLN A 1 142 ? -2.391 17.636 -8.835 1.00 15.77 ? 152 GLN A N 1 ATOM 1105 C CA . GLN A 1 142 ? -3.091 18.671 -8.077 1.00 16.05 ? 152 GLN A CA 1 ATOM 1106 C C . GLN A 1 142 ? -3.513 18.144 -6.737 1.00 20.35 ? 152 GLN A C 1 ATOM 1107 O O . GLN A 1 142 ? -3.856 16.965 -6.603 1.00 19.79 ? 152 GLN A O 1 ATOM 1108 C CB . GLN A 1 142 ? -4.314 19.182 -8.850 1.00 16.86 ? 152 GLN A CB 1 ATOM 1109 C CG . GLN A 1 142 ? -3.937 19.779 -10.216 1.00 17.36 ? 152 GLN A CG 1 ATOM 1110 C CD . GLN A 1 142 ? -2.969 20.918 -10.067 1.00 32.43 ? 152 GLN A CD 1 ATOM 1111 O OE1 . GLN A 1 142 ? -3.318 21.975 -9.570 1.00 29.42 ? 152 GLN A OE1 1 ATOM 1112 N NE2 . GLN A 1 142 ? -1.714 20.711 -10.442 1.00 26.27 ? 152 GLN A NE2 1 ATOM 1113 N N . ASN A 1 143 ? -3.562 19.012 -5.751 1.00 15.54 ? 153 ASN A N 1 ATOM 1114 C CA . ASN A 1 143 ? -3.981 18.587 -4.425 1.00 14.32 ? 153 ASN A CA 1 ATOM 1115 C C . ASN A 1 143 ? -5.496 18.309 -4.391 1.00 14.62 ? 153 ASN A C 1 ATOM 1116 O O . ASN A 1 143 ? -5.915 17.230 -3.933 1.00 13.87 ? 153 ASN A O 1 ATOM 1117 C CB . ASN A 1 143 ? -3.654 19.706 -3.415 1.00 15.23 ? 153 ASN A CB 1 ATOM 1118 C CG . ASN A 1 143 ? -3.936 19.270 -1.998 1.00 22.90 ? 153 ASN A CG 1 ATOM 1119 O OD1 . ASN A 1 143 ? -3.501 18.193 -1.583 1.00 18.85 ? 153 ASN A OD1 1 ATOM 1120 N ND2 . ASN A 1 143 ? -4.702 20.068 -1.252 1.00 23.77 ? 153 ASN A ND2 1 ATOM 1121 N N . THR A 1 144 ? -6.309 19.251 -4.877 1.00 14.51 ? 154 THR A N 1 ATOM 1122 C CA . THR A 1 144 ? -7.765 19.143 -4.812 1.00 13.81 ? 154 THR A CA 1 ATOM 1123 C C . THR A 1 144 ? -8.300 18.498 -6.085 1.00 14.94 ? 154 THR A C 1 ATOM 1124 O O . THR A 1 144 ? -7.945 18.901 -7.197 1.00 14.69 ? 154 THR A O 1 ATOM 1125 C CB . THR A 1 144 ? -8.416 20.526 -4.633 1.00 19.76 ? 154 THR A CB 1 ATOM 1126 O OG1 . THR A 1 144 ? -7.926 21.129 -3.432 1.00 23.30 ? 154 THR A OG1 1 ATOM 1127 C CG2 . THR A 1 144 ? -9.947 20.432 -4.505 1.00 17.22 ? 154 THR A CG2 1 ATOM 1128 N N . LEU A 1 145 ? -9.176 17.487 -5.909 1.00 13.03 ? 155 LEU A N 1 ATOM 1129 C CA . LEU A 1 145 ? -9.833 16.846 -7.060 1.00 12.20 ? 155 LEU A CA 1 ATOM 1130 C C . LEU A 1 145 ? -10.469 17.902 -7.979 1.00 14.44 ? 155 LEU A C 1 ATOM 1131 O O . LEU A 1 145 ? -11.268 18.722 -7.509 1.00 13.68 ? 155 LEU A O 1 ATOM 1132 C CB . LEU A 1 145 ? -10.889 15.910 -6.536 1.00 11.82 ? 155 LEU A CB 1 ATOM 1133 C CG . LEU A 1 145 ? -11.675 15.130 -7.570 1.00 12.88 ? 155 LEU A CG 1 ATOM 1134 C CD1 . LEU A 1 145 ? -10.782 14.180 -8.396 1.00 13.25 ? 155 LEU A CD1 1 ATOM 1135 C CD2 . LEU A 1 145 ? -12.761 14.296 -6.903 1.00 12.75 ? 155 LEU A CD2 1 ATOM 1136 N N . GLN A 1 146 ? -10.108 17.885 -9.263 1.00 12.77 ? 156 GLN A N 1 ATOM 1137 C CA . GLN A 1 146 ? -10.638 18.847 -10.222 1.00 12.16 ? 156 GLN A CA 1 ATOM 1138 C C . GLN A 1 146 ? -11.709 18.229 -11.096 1.00 12.65 ? 156 GLN A C 1 ATOM 1139 O O . GLN A 1 146 ? -11.785 16.999 -11.258 1.00 12.26 ? 156 GLN A O 1 ATOM 1140 C CB . GLN A 1 146 ? -9.518 19.373 -11.127 1.00 13.61 ? 156 GLN A CB 1 ATOM 1141 C CG . GLN A 1 146 ? -8.342 19.989 -10.376 1.00 15.36 ? 156 GLN A CG 1 ATOM 1142 C CD . GLN A 1 146 ? -8.630 21.356 -9.846 1.00 20.94 ? 156 GLN A CD 1 ATOM 1143 O OE1 . GLN A 1 146 ? -9.026 22.259 -10.615 1.00 20.68 ? 156 GLN A OE1 1 ATOM 1144 N NE2 . GLN A 1 146 ? -8.515 21.501 -8.514 1.00 19.50 ? 156 GLN A NE2 1 ATOM 1145 N N . LYS A 1 147 ? -12.568 19.094 -11.682 1.00 11.85 ? 157 LYS A N 1 ATOM 1146 C CA . LYS A 1 147 ? -13.615 18.664 -12.582 1.00 11.42 ? 157 LYS A CA 1 ATOM 1147 C C . LYS A 1 147 ? -13.681 19.572 -13.798 1.00 13.15 ? 157 LYS A C 1 ATOM 1148 O O . LYS A 1 147 ? -13.350 20.753 -13.692 1.00 14.18 ? 157 LYS A O 1 ATOM 1149 C CB . LYS A 1 147 ? -14.993 18.685 -11.876 1.00 13.71 ? 157 LYS A CB 1 ATOM 1150 C CG . LYS A 1 147 ? -15.431 20.095 -11.454 1.00 13.14 ? 157 LYS A CG 1 ATOM 1151 C CD . LYS A 1 147 ? -16.777 20.084 -10.762 1.00 15.55 ? 157 LYS A CD 1 ATOM 1152 C CE . LYS A 1 147 ? -17.189 21.497 -10.424 1.00 18.54 ? 157 LYS A CE 1 ATOM 1153 N NZ . LYS A 1 147 ? -18.612 21.530 -9.929 1.00 19.68 ? 157 LYS A NZ 1 ATOM 1154 N N . ALA A 1 148 ? -14.112 19.020 -14.921 1.00 12.81 ? 158 ALA A N 1 ATOM 1155 C CA . ALA A 1 148 ? -14.361 19.834 -16.115 1.00 12.78 ? 158 ALA A CA 1 ATOM 1156 C C . ALA A 1 148 ? -15.511 19.240 -16.851 1.00 14.36 ? 158 ALA A C 1 ATOM 1157 O O . ALA A 1 148 ? -15.543 18.027 -17.060 1.00 13.48 ? 158 ALA A O 1 ATOM 1158 C CB . ALA A 1 148 ? -13.134 19.854 -17.022 1.00 14.15 ? 158 ALA A CB 1 ATOM 1159 N N . LYS A 1 149 ? -16.450 20.090 -17.309 1.00 13.23 ? 159 LYS A N 1 ATOM 1160 C CA . LYS A 1 149 ? -17.558 19.624 -18.127 1.00 12.50 ? 159 LYS A CA 1 ATOM 1161 C C . LYS A 1 149 ? -17.032 19.568 -19.557 1.00 15.43 ? 159 LYS A C 1 ATOM 1162 O O . LYS A 1 149 ? -16.450 20.555 -20.030 1.00 15.24 ? 159 LYS A O 1 ATOM 1163 C CB . LYS A 1 149 ? -18.743 20.620 -18.085 1.00 13.85 ? 159 LYS A CB 1 ATOM 1164 C CG . LYS A 1 149 ? -19.966 20.028 -18.773 1.00 15.54 ? 159 LYS A CG 1 ATOM 1165 C CD . LYS A 1 149 ? -21.166 20.986 -18.760 1.00 19.69 ? 159 LYS A CD 1 ATOM 1166 C CE . LYS A 1 149 ? -22.442 20.312 -19.228 1.00 20.82 ? 159 LYS A CE 1 ATOM 1167 N NZ . LYS A 1 149 ? -22.338 19.827 -20.636 1.00 22.56 ? 159 LYS A NZ 1 ATOM 1168 N N . ILE A 1 150 ? -17.222 18.431 -20.231 1.00 13.84 ? 160 ILE A N 1 ATOM 1169 C CA . ILE A 1 150 ? -16.693 18.265 -21.582 1.00 14.87 ? 160 ILE A CA 1 ATOM 1170 C C . ILE A 1 150 ? -17.733 17.619 -22.478 1.00 16.16 ? 160 ILE A C 1 ATOM 1171 O O . ILE A 1 150 ? -18.448 16.712 -22.050 1.00 17.40 ? 160 ILE A O 1 ATOM 1172 C CB . ILE A 1 150 ? -15.348 17.483 -21.577 1.00 19.22 ? 160 ILE A CB 1 ATOM 1173 C CG1 . ILE A 1 150 ? -15.499 16.055 -20.994 1.00 20.99 ? 160 ILE A CG1 1 ATOM 1174 C CG2 . ILE A 1 150 ? -14.210 18.296 -20.855 1.00 23.40 ? 160 ILE A CG2 1 ATOM 1175 C CD1 . ILE A 1 150 ? -14.173 15.257 -21.126 1.00 28.15 ? 160 ILE A CD1 1 ATOM 1176 N N . PRO A 1 151 ? -17.859 18.084 -23.726 1.00 14.63 ? 161 PRO A N 1 ATOM 1177 C CA . PRO A 1 151 ? -18.867 17.497 -24.605 1.00 14.79 ? 161 PRO A CA 1 ATOM 1178 C C . PRO A 1 151 ? -18.362 16.243 -25.293 1.00 16.51 ? 161 PRO A C 1 ATOM 1179 O O . PRO A 1 151 ? -17.178 16.176 -25.616 1.00 16.15 ? 161 PRO A O 1 ATOM 1180 C CB . PRO A 1 151 ? -19.148 18.602 -25.633 1.00 16.95 ? 161 PRO A CB 1 ATOM 1181 C CG . PRO A 1 151 ? -17.993 19.491 -25.581 1.00 21.17 ? 161 PRO A CG 1 ATOM 1182 C CD . PRO A 1 151 ? -17.193 19.242 -24.333 1.00 16.28 ? 161 PRO A CD 1 ATOM 1183 N N . LEU A 1 152 ? -19.248 15.278 -25.531 1.00 15.39 ? 162 LEU A N 1 ATOM 1184 C CA . LEU A 1 152 ? -18.892 14.104 -26.311 1.00 15.44 ? 162 LEU A CA 1 ATOM 1185 C C . LEU A 1 152 ? -18.760 14.528 -27.756 1.00 19.77 ? 162 LEU A C 1 ATOM 1186 O O . LEU A 1 152 ? -19.481 15.421 -28.203 1.00 19.69 ? 162 LEU A O 1 ATOM 1187 C CB . LEU A 1 152 ? -19.930 12.976 -26.200 1.00 15.42 ? 162 LEU A CB 1 ATOM 1188 C CG . LEU A 1 152 ? -20.209 12.467 -24.767 1.00 20.43 ? 162 LEU A CG 1 ATOM 1189 C CD1 . LEU A 1 152 ? -21.156 11.297 -24.772 1.00 23.06 ? 162 LEU A CD1 1 ATOM 1190 C CD2 . LEU A 1 152 ? -18.910 12.148 -24.000 1.00 20.78 ? 162 LEU A CD2 1 ATOM 1191 N N . VAL A 1 153 ? -17.839 13.890 -28.486 1.00 18.73 ? 163 VAL A N 1 ATOM 1192 C CA . VAL A 1 153 ? -17.586 14.162 -29.909 1.00 19.34 ? 163 VAL A CA 1 ATOM 1193 C C . VAL A 1 153 ? -17.905 12.847 -30.620 1.00 21.76 ? 163 VAL A C 1 ATOM 1194 O O . VAL A 1 153 ? -17.568 11.798 -30.089 1.00 21.49 ? 163 VAL A O 1 ATOM 1195 C CB . VAL A 1 153 ? -16.108 14.601 -30.099 1.00 24.38 ? 163 VAL A CB 1 ATOM 1196 C CG1 . VAL A 1 153 ? -15.719 14.731 -31.568 1.00 24.63 ? 163 VAL A CG1 1 ATOM 1197 C CG2 . VAL A 1 153 ? -15.838 15.917 -29.369 1.00 24.34 ? 163 VAL A CG2 1 ATOM 1198 N N . THR A 1 154 ? -18.550 12.871 -31.793 1.00 19.75 ? 164 THR A N 1 ATOM 1199 C CA . THR A 1 154 ? -18.847 11.614 -32.479 1.00 19.13 ? 164 THR A CA 1 ATOM 1200 C C . THR A 1 154 ? -17.568 10.860 -32.832 1.00 18.71 ? 164 THR A C 1 ATOM 1201 O O . THR A 1 154 ? -16.504 11.469 -33.022 1.00 18.59 ? 164 THR A O 1 ATOM 1202 C CB . THR A 1 154 ? -19.633 11.834 -33.793 1.00 26.04 ? 164 THR A CB 1 ATOM 1203 O OG1 . THR A 1 154 ? -18.847 12.675 -34.641 1.00 25.29 ? 164 THR A OG1 1 ATOM 1204 C CG2 . THR A 1 154 ? -21.011 12.430 -33.567 1.00 30.25 ? 164 THR A CG2 1 ATOM 1205 N N . ASN A 1 155 ? -17.672 9.523 -32.953 1.00 18.80 ? 165 ASN A N 1 ATOM 1206 C CA . ASN A 1 155 ? -16.541 8.704 -33.360 1.00 19.18 ? 165 ASN A CA 1 ATOM 1207 C C . ASN A 1 155 ? -16.004 9.103 -34.739 1.00 21.29 ? 165 ASN A C 1 ATOM 1208 O O . ASN A 1 155 ? -14.786 9.120 -34.942 1.00 20.29 ? 165 ASN A O 1 ATOM 1209 C CB . ASN A 1 155 ? -16.902 7.209 -33.287 1.00 21.81 ? 165 ASN A CB 1 ATOM 1210 C CG . ASN A 1 155 ? -16.747 6.648 -31.888 1.00 36.49 ? 165 ASN A CG 1 ATOM 1211 O OD1 . ASN A 1 155 ? -17.162 7.243 -30.895 1.00 30.12 ? 165 ASN A OD1 1 ATOM 1212 N ND2 . ASN A 1 155 ? -16.071 5.533 -31.764 1.00 28.60 ? 165 ASN A ND2 1 ATOM 1213 N N . GLU A 1 156 ? -16.915 9.512 -35.651 1.00 19.90 ? 166 GLU A N 1 ATOM 1214 C CA . GLU A 1 156 ? -16.525 9.943 -37.003 1.00 21.32 ? 166 GLU A CA 1 ATOM 1215 C C . GLU A 1 156 ? -15.657 11.194 -36.943 1.00 24.29 ? 166 GLU A C 1 ATOM 1216 O O . GLU A 1 156 ? -14.608 11.216 -37.572 1.00 24.73 ? 166 GLU A O 1 ATOM 1217 C CB . GLU A 1 156 ? -17.767 10.191 -37.870 1.00 24.05 ? 166 GLU A CB 1 ATOM 1218 C CG . GLU A 1 156 ? -17.427 10.658 -39.286 1.00 36.94 ? 166 GLU A CG 1 ATOM 1219 C CD . GLU A 1 156 ? -18.588 10.859 -40.240 1.00 64.37 ? 166 GLU A CD 1 ATOM 1220 O OE1 . GLU A 1 156 ? -19.615 11.441 -39.823 1.00 53.45 ? 166 GLU A OE1 1 ATOM 1221 O OE2 . GLU A 1 156 ? -18.444 10.488 -41.427 1.00 67.05 ? 166 GLU A OE2 1 ATOM 1222 N N . GLU A 1 157 ? -16.059 12.215 -36.132 1.00 20.52 ? 167 GLU A N 1 ATOM 1223 C CA . GLU A 1 157 ? -15.255 13.426 -36.010 1.00 20.41 ? 167 GLU A CA 1 ATOM 1224 C C . GLU A 1 157 ? -13.947 13.119 -35.298 1.00 21.39 ? 167 GLU A C 1 ATOM 1225 O O . GLU A 1 157 ? -12.870 13.562 -35.722 1.00 23.31 ? 167 GLU A O 1 ATOM 1226 C CB . GLU A 1 157 ? -16.017 14.553 -35.302 1.00 22.17 ? 167 GLU A CB 1 ATOM 1227 C CG . GLU A 1 157 ? -15.134 15.775 -35.118 1.00 26.95 ? 167 GLU A CG 1 ATOM 1228 C CD . GLU A 1 157 ? -15.777 16.992 -34.495 1.00 42.10 ? 167 GLU A CD 1 ATOM 1229 O OE1 . GLU A 1 157 ? -17.025 17.033 -34.388 1.00 33.96 ? 167 GLU A OE1 1 ATOM 1230 O OE2 . GLU A 1 157 ? -15.024 17.921 -34.132 1.00 30.94 ? 167 GLU A OE2 1 ATOM 1231 N N . CYS A 1 158 ? -14.017 12.303 -34.227 1.00 17.33 ? 168 CYS A N 1 ATOM 1232 C CA . CYS A 1 158 ? -12.809 11.925 -33.500 1.00 17.37 ? 168 CYS A CA 1 ATOM 1233 C C . CYS A 1 158 ? -11.789 11.233 -34.424 1.00 19.52 ? 168 CYS A C 1 ATOM 1234 O O . CYS A 1 158 ? -10.602 11.533 -34.372 1.00 19.83 ? 168 CYS A O 1 ATOM 1235 C CB . CYS A 1 158 ? -13.164 11.044 -32.310 1.00 17.99 ? 168 CYS A CB 1 ATOM 1236 S SG . CYS A 1 158 ? -11.782 10.768 -31.175 1.00 20.26 ? 168 CYS A SG 1 ATOM 1237 N N . GLN A 1 159 A -12.274 10.293 -35.274 1.00 18.33 ? 168 GLN A N 1 ATOM 1238 C CA . GLN A 1 159 A -11.410 9.602 -36.217 1.00 18.97 ? 168 GLN A CA 1 ATOM 1239 C C . GLN A 1 159 A -10.675 10.573 -37.181 1.00 19.57 ? 168 GLN A C 1 ATOM 1240 O O . GLN A 1 159 A -9.483 10.369 -37.434 1.00 18.59 ? 168 GLN A O 1 ATOM 1241 C CB . GLN A 1 159 A -12.197 8.518 -36.959 1.00 20.95 ? 168 GLN A CB 1 ATOM 1242 C CG . GLN A 1 159 A -11.311 7.690 -37.918 1.00 20.86 ? 168 GLN A CG 1 ATOM 1243 C CD . GLN A 1 159 A -10.308 6.884 -37.148 1.00 19.64 ? 168 GLN A CD 1 ATOM 1244 O OE1 . GLN A 1 159 A -10.605 5.765 -36.703 1.00 19.41 ? 168 GLN A OE1 1 ATOM 1245 N NE2 . GLN A 1 159 A -9.098 7.431 -36.961 1.00 17.21 ? 168 GLN A NE2 1 ATOM 1246 N N . LYS A 1 160 ? -11.343 11.679 -37.597 1.00 19.03 ? 169 LYS A N 1 ATOM 1247 C CA . LYS A 1 160 ? -10.720 12.720 -38.455 1.00 19.40 ? 169 LYS A CA 1 ATOM 1248 C C . LYS A 1 160 ? -9.516 13.376 -37.746 1.00 23.43 ? 169 LYS A C 1 ATOM 1249 O O . LYS A 1 160 ? -8.544 13.782 -38.395 1.00 23.90 ? 169 LYS A O 1 ATOM 1250 C CB . LYS A 1 160 ? -11.710 13.823 -38.831 1.00 22.34 ? 169 LYS A CB 1 ATOM 1251 C CG . LYS A 1 160 ? -12.937 13.351 -39.585 1.00 33.29 ? 169 LYS A CG 1 ATOM 1252 C CD . LYS A 1 160 ? -13.776 14.518 -40.093 1.00 39.19 ? 169 LYS A CD 1 ATOM 1253 C CE . LYS A 1 160 ? -15.090 14.020 -40.664 1.00 50.23 ? 169 LYS A CE 1 ATOM 1254 N NZ . LYS A 1 160 ? -15.791 15.062 -41.467 1.00 59.23 ? 169 LYS A NZ 1 ATOM 1255 N N . ARG A 1 161 ? -9.569 13.476 -36.403 1.00 18.88 ? 170 ARG A N 1 ATOM 1256 C CA . ARG A 1 161 ? -8.504 14.110 -35.631 1.00 18.75 ? 170 ARG A CA 1 ATOM 1257 C C . ARG A 1 161 ? -7.313 13.231 -35.393 1.00 21.04 ? 170 ARG A C 1 ATOM 1258 O O . ARG A 1 161 ? -6.250 13.722 -35.025 1.00 22.69 ? 170 ARG A O 1 ATOM 1259 C CB . ARG A 1 161 ? -9.056 14.584 -34.267 1.00 17.19 ? 170 ARG A CB 1 ATOM 1260 C CG . ARG A 1 161 ? -10.357 15.393 -34.388 1.00 17.64 ? 170 ARG A CG 1 ATOM 1261 C CD . ARG A 1 161 ? -10.224 16.610 -35.321 1.00 23.17 ? 170 ARG A CD 1 ATOM 1262 N NE . ARG A 1 161 ? -11.445 17.415 -35.245 1.00 29.19 ? 170 ARG A NE 1 ATOM 1263 C CZ . ARG A 1 161 ? -11.882 18.229 -36.199 1.00 41.75 ? 170 ARG A CZ 1 ATOM 1264 N NH1 . ARG A 1 161 ? -11.187 18.383 -37.321 1.00 31.34 ? 170 ARG A NH1 1 ATOM 1265 N NH2 . ARG A 1 161 ? -13.019 18.895 -36.040 1.00 32.19 ? 170 ARG A NH2 1 ATOM 1266 N N . TYR A 1 162 ? -7.515 11.908 -35.525 1.00 16.31 ? 171 TYR A N 1 ATOM 1267 C CA . TYR A 1 162 ? -6.533 10.890 -35.213 1.00 15.23 ? 171 TYR A CA 1 ATOM 1268 C C . TYR A 1 162 ? -6.367 9.931 -36.374 1.00 19.83 ? 171 TYR A C 1 ATOM 1269 O O . TYR A 1 162 ? -6.625 8.732 -36.260 1.00 19.91 ? 171 TYR A O 1 ATOM 1270 C CB . TYR A 1 162 ? -6.976 10.160 -33.918 1.00 14.85 ? 171 TYR A CB 1 ATOM 1271 C CG . TYR A 1 162 ? -6.868 11.019 -32.671 1.00 15.71 ? 171 TYR A CG 1 ATOM 1272 C CD1 . TYR A 1 162 ? -5.635 11.493 -32.232 1.00 18.28 ? 171 TYR A CD1 1 ATOM 1273 C CD2 . TYR A 1 162 ? -7.994 11.330 -31.920 1.00 15.84 ? 171 TYR A CD2 1 ATOM 1274 C CE1 . TYR A 1 162 ? -5.527 12.277 -31.080 1.00 19.89 ? 171 TYR A CE1 1 ATOM 1275 C CE2 . TYR A 1 162 ? -7.903 12.123 -30.781 1.00 16.12 ? 171 TYR A CE2 1 ATOM 1276 C CZ . TYR A 1 162 ? -6.666 12.599 -30.368 1.00 17.30 ? 171 TYR A CZ 1 ATOM 1277 O OH . TYR A 1 162 ? -6.536 13.310 -29.190 1.00 19.71 ? 171 TYR A OH 1 ATOM 1278 N N . ARG A 1 163 ? -5.871 10.449 -37.484 1.00 18.20 ? 172 ARG A N 1 ATOM 1279 C CA . ARG A 1 163 ? -5.640 9.619 -38.681 1.00 19.18 ? 172 ARG A CA 1 ATOM 1280 C C . ARG A 1 163 ? -4.651 8.483 -38.458 1.00 23.11 ? 172 ARG A C 1 ATOM 1281 O O . ARG A 1 163 ? -4.739 7.451 -39.122 1.00 23.38 ? 172 ARG A O 1 ATOM 1282 C CB . ARG A 1 163 ? -5.202 10.488 -39.865 1.00 21.55 ? 172 ARG A CB 1 ATOM 1283 C CG . ARG A 1 163 ? -6.278 11.492 -40.353 1.00 30.32 ? 172 ARG A CG 1 ATOM 1284 C CD . ARG A 1 163 ? -7.546 10.837 -40.856 1.00 36.34 ? 172 ARG A CD 1 ATOM 1285 N NE . ARG A 1 163 ? -8.498 11.787 -41.452 1.00 33.55 ? 172 ARG A NE 1 ATOM 1286 C CZ . ARG A 1 163 ? -9.762 11.485 -41.753 1.00 43.79 ? 172 ARG A CZ 1 ATOM 1287 N NH1 . ARG A 1 163 ? -10.246 10.279 -41.486 1.00 30.06 ? 172 ARG A NH1 1 ATOM 1288 N NH2 . ARG A 1 163 ? -10.564 12.404 -42.273 1.00 32.36 ? 172 ARG A NH2 1 ATOM 1289 N N . GLY A 1 164 ? -3.751 8.634 -37.511 1.00 18.84 ? 173 GLY A N 1 ATOM 1290 C CA . GLY A 1 164 ? -2.793 7.575 -37.208 1.00 17.91 ? 173 GLY A CA 1 ATOM 1291 C C . GLY A 1 164 ? -3.243 6.522 -36.213 1.00 20.77 ? 173 GLY A C 1 ATOM 1292 O O . GLY A 1 164 ? -2.465 5.630 -35.875 1.00 22.57 ? 173 GLY A O 1 ATOM 1293 N N . HIS A 1 165 ? -4.493 6.588 -35.745 1.00 17.63 ? 174 HIS A N 1 ATOM 1294 C CA . HIS A 1 165 ? -4.967 5.624 -34.746 1.00 17.27 ? 174 HIS A CA 1 ATOM 1295 C C . HIS A 1 165 ? -6.349 5.123 -35.123 1.00 21.93 ? 174 HIS A C 1 ATOM 1296 O O . HIS A 1 165 ? -7.136 5.860 -35.736 1.00 24.50 ? 174 HIS A O 1 ATOM 1297 C CB . HIS A 1 165 ? -5.059 6.309 -33.346 1.00 18.47 ? 174 HIS A CB 1 ATOM 1298 C CG . HIS A 1 165 ? -3.788 6.961 -32.882 1.00 20.92 ? 174 HIS A CG 1 ATOM 1299 N ND1 . HIS A 1 165 ? -2.756 6.227 -32.340 1.00 22.65 ? 174 HIS A ND1 1 ATOM 1300 C CD2 . HIS A 1 165 ? -3.451 8.275 -32.854 1.00 22.94 ? 174 HIS A CD2 1 ATOM 1301 C CE1 . HIS A 1 165 ? -1.813 7.102 -32.023 1.00 22.34 ? 174 HIS A CE1 1 ATOM 1302 N NE2 . HIS A 1 165 ? -2.188 8.349 -32.319 1.00 22.65 ? 174 HIS A NE2 1 ATOM 1303 N N . LYS A 1 166 ? -6.677 3.887 -34.750 1.00 17.16 ? 175 LYS A N 1 ATOM 1304 C CA . LYS A 1 166 ? -8.016 3.450 -35.067 1.00 16.81 ? 175 LYS A CA 1 ATOM 1305 C C . LYS A 1 166 ? -8.945 3.838 -33.896 1.00 20.60 ? 175 LYS A C 1 ATOM 1306 O O . LYS A 1 166 ? -8.745 3.332 -32.790 1.00 21.12 ? 175 LYS A O 1 ATOM 1307 C CB . LYS A 1 166 ? -8.091 1.923 -35.295 1.00 22.26 ? 175 LYS A CB 1 ATOM 1308 C CG . LYS A 1 166 ? -7.800 1.519 -36.716 1.00 32.80 ? 175 LYS A CG 1 ATOM 1309 C CD . LYS A 1 166 ? -8.530 0.232 -37.043 1.00 45.61 ? 175 LYS A CD 1 ATOM 1310 C CE . LYS A 1 166 ? -7.709 -0.639 -37.949 1.00 52.95 ? 175 LYS A CE 1 ATOM 1311 N NZ . LYS A 1 166 ? -8.556 -1.572 -38.735 1.00 68.72 ? 175 LYS A NZ 1 ATOM 1312 N N . ILE A 1 167 ? -9.941 4.706 -34.134 1.00 17.63 ? 176 ILE A N 1 ATOM 1313 C CA . ILE A 1 167 ? -10.942 5.047 -33.111 1.00 19.08 ? 176 ILE A CA 1 ATOM 1314 C C . ILE A 1 167 ? -12.112 4.076 -33.307 1.00 24.01 ? 176 ILE A C 1 ATOM 1315 O O . ILE A 1 167 ? -12.893 4.225 -34.253 1.00 26.41 ? 176 ILE A O 1 ATOM 1316 C CB . ILE A 1 167 ? -11.387 6.523 -33.187 1.00 20.70 ? 176 ILE A CB 1 ATOM 1317 C CG1 . ILE A 1 167 ? -10.179 7.497 -33.173 1.00 20.70 ? 176 ILE A CG1 1 ATOM 1318 C CG2 . ILE A 1 167 ? -12.434 6.855 -32.094 1.00 19.95 ? 176 ILE A CG2 1 ATOM 1319 C CD1 . ILE A 1 167 ? -9.154 7.351 -32.056 1.00 21.93 ? 176 ILE A CD1 1 ATOM 1320 N N . THR A 1 168 ? -12.207 3.051 -32.454 1.00 17.98 ? 177 THR A N 1 ATOM 1321 C CA . THR A 1 168 ? -13.236 2.023 -32.589 1.00 17.38 ? 177 THR A CA 1 ATOM 1322 C C . THR A 1 168 ? -14.504 2.381 -31.852 1.00 20.10 ? 177 THR A C 1 ATOM 1323 O O . THR A 1 168 ? -14.530 3.346 -31.069 1.00 17.32 ? 177 THR A O 1 ATOM 1324 C CB . THR A 1 168 ? -12.704 0.675 -32.083 1.00 24.94 ? 177 THR A CB 1 ATOM 1325 O OG1 . THR A 1 168 ? -12.592 0.739 -30.664 1.00 21.35 ? 177 THR A OG1 1 ATOM 1326 C CG2 . THR A 1 168 ? -11.338 0.292 -32.693 1.00 28.99 ? 177 THR A CG2 1 ATOM 1327 N N . HIS A 1 169 ? -15.567 1.574 -32.065 1.00 18.89 ? 178 HIS A N 1 ATOM 1328 C CA . HIS A 1 169 ? -16.834 1.807 -31.375 1.00 20.19 ? 178 HIS A CA 1 ATOM 1329 C C . HIS A 1 169 ? -16.670 1.479 -29.859 1.00 18.92 ? 178 HIS A C 1 ATOM 1330 O O . HIS A 1 169 ? -17.576 1.801 -29.086 1.00 20.33 ? 178 HIS A O 1 ATOM 1331 C CB . HIS A 1 169 ? -17.976 0.995 -32.003 1.00 23.63 ? 178 HIS A CB 1 ATOM 1332 C CG . HIS A 1 169 ? -17.921 -0.464 -31.683 1.00 29.20 ? 178 HIS A CG 1 ATOM 1333 N ND1 . HIS A 1 169 ? -16.930 -1.280 -32.192 1.00 32.25 ? 178 HIS A ND1 1 ATOM 1334 C CD2 . HIS A 1 169 ? -18.763 -1.216 -30.930 1.00 31.97 ? 178 HIS A CD2 1 ATOM 1335 C CE1 . HIS A 1 169 ? -17.187 -2.493 -31.721 1.00 31.61 ? 178 HIS A CE1 1 ATOM 1336 N NE2 . HIS A 1 169 ? -18.280 -2.499 -30.959 1.00 31.95 ? 178 HIS A NE2 1 ATOM 1337 N N . LYS A 1 170 ? -15.526 0.880 -29.471 1.00 16.09 ? 179 LYS A N 1 ATOM 1338 C CA . LYS A 1 170 ? -15.231 0.583 -28.042 1.00 15.31 ? 179 LYS A CA 1 ATOM 1339 C C . LYS A 1 170 ? -14.532 1.795 -27.383 1.00 16.57 ? 179 LYS A C 1 ATOM 1340 O O . LYS A 1 170 ? -14.126 1.708 -26.236 1.00 15.89 ? 179 LYS A O 1 ATOM 1341 C CB . LYS A 1 170 ? -14.407 -0.708 -27.851 1.00 16.33 ? 179 LYS A CB 1 ATOM 1342 C CG . LYS A 1 170 ? -15.171 -1.942 -28.327 1.00 23.18 ? 179 LYS A CG 1 ATOM 1343 C CD . LYS A 1 170 ? -14.679 -3.216 -27.684 1.00 28.60 ? 179 LYS A CD 1 ATOM 1344 C CE . LYS A 1 170 ? -15.352 -4.433 -28.285 1.00 45.35 ? 179 LYS A CE 1 ATOM 1345 N NZ . LYS A 1 170 ? -16.767 -4.560 -27.850 1.00 56.73 ? 179 LYS A NZ 1 ATOM 1346 N N . MET A 1 171 ? -14.443 2.929 -28.109 1.00 15.22 ? 180 MET A N 1 ATOM 1347 C CA . MET A 1 171 ? -13.875 4.165 -27.612 1.00 14.31 ? 180 MET A CA 1 ATOM 1348 C C . MET A 1 171 ? -14.929 5.240 -27.740 1.00 16.86 ? 180 MET A C 1 ATOM 1349 O O . MET A 1 171 ? -15.857 5.163 -28.596 1.00 17.29 ? 180 MET A O 1 ATOM 1350 C CB . MET A 1 171 ? -12.629 4.576 -28.413 1.00 15.18 ? 180 MET A CB 1 ATOM 1351 C CG . MET A 1 171 ? -11.483 3.617 -28.270 1.00 16.56 ? 180 MET A CG 1 ATOM 1352 S SD . MET A 1 171 ? -10.200 4.045 -29.490 1.00 19.04 ? 180 MET A SD 1 ATOM 1353 C CE . MET A 1 171 ? -9.060 2.799 -29.162 1.00 18.40 ? 180 MET A CE 1 ATOM 1354 N N . ILE A 1 172 ? -14.829 6.221 -26.841 1.00 13.45 ? 181 ILE A N 1 ATOM 1355 C CA . ILE A 1 172 ? -15.669 7.397 -26.908 1.00 14.78 ? 181 ILE A CA 1 ATOM 1356 C C . ILE A 1 172 ? -14.737 8.611 -26.783 1.00 18.41 ? 181 ILE A C 1 ATOM 1357 O O . ILE A 1 172 ? -13.755 8.547 -26.040 1.00 17.51 ? 181 ILE A O 1 ATOM 1358 C CB . ILE A 1 172 ? -16.856 7.312 -25.899 1.00 20.17 ? 181 ILE A CB 1 ATOM 1359 C CG1 . ILE A 1 172 ? -17.926 8.397 -26.134 1.00 23.67 ? 181 ILE A CG1 1 ATOM 1360 C CG2 . ILE A 1 172 ? -16.401 7.281 -24.455 1.00 21.41 ? 181 ILE A CG2 1 ATOM 1361 C CD1 . ILE A 1 172 ? -19.352 7.999 -25.558 1.00 30.54 ? 181 ILE A CD1 1 ATOM 1362 N N . CYS A 1 173 ? -14.993 9.676 -27.554 1.00 15.19 ? 182 CYS A N 1 ATOM 1363 C CA . CYS A 1 173 ? -14.172 10.866 -27.489 1.00 15.20 ? 182 CYS A CA 1 ATOM 1364 C C . CYS A 1 173 ? -14.899 12.025 -26.892 1.00 14.43 ? 182 CYS A C 1 ATOM 1365 O O . CYS A 1 173 ? -16.122 12.124 -26.993 1.00 15.64 ? 182 CYS A O 1 ATOM 1366 C CB . CYS A 1 173 ? -13.644 11.220 -28.870 1.00 16.05 ? 182 CYS A CB 1 ATOM 1367 S SG . CYS A 1 173 ? -12.781 9.846 -29.655 1.00 19.34 ? 182 CYS A SG 1 ATOM 1368 N N . ALA A 1 174 ? -14.146 12.917 -26.260 1.00 13.79 ? 183 ALA A N 1 ATOM 1369 C CA . ALA A 1 174 ? -14.725 14.106 -25.641 1.00 13.10 ? 183 ALA A CA 1 ATOM 1370 C C . ALA A 1 174 ? -13.763 15.226 -25.592 1.00 16.82 ? 183 ALA A C 1 ATOM 1371 O O . ALA A 1 174 ? -12.597 15.029 -25.296 1.00 15.70 ? 183 ALA A O 1 ATOM 1372 C CB . ALA A 1 174 ? -15.240 13.783 -24.223 1.00 14.16 ? 183 ALA A CB 1 ATOM 1373 N N . GLY A 1 175 ? -14.243 16.428 -25.861 1.00 16.17 ? 184 GLY A N 1 ATOM 1374 C CA . GLY A 1 175 ? -13.377 17.602 -25.795 1.00 16.00 ? 184 GLY A CA 1 ATOM 1375 C C . GLY A 1 175 ? -13.958 18.720 -26.630 1.00 17.27 ? 184 GLY A C 1 ATOM 1376 O O . GLY A 1 175 ? -14.917 18.506 -27.381 1.00 18.73 ? 184 GLY A O 1 ATOM 1377 N N . TYR A 1 176 A -13.429 19.921 -26.418 1.00 14.51 ? 184 TYR A N 1 ATOM 1378 C CA . TYR A 1 176 A -13.883 21.095 -27.159 1.00 14.59 ? 184 TYR A CA 1 ATOM 1379 C C . TYR A 1 176 A -13.052 21.198 -28.417 1.00 18.08 ? 184 TYR A C 1 ATOM 1380 O O . TYR A 1 176 A -11.834 21.123 -28.357 1.00 18.71 ? 184 TYR A O 1 ATOM 1381 C CB . TYR A 1 176 A -13.720 22.346 -26.299 1.00 15.19 ? 184 TYR A CB 1 ATOM 1382 C CG . TYR A 1 176 A -14.666 22.378 -25.120 1.00 14.49 ? 184 TYR A CG 1 ATOM 1383 C CD1 . TYR A 1 176 A -15.970 22.856 -25.258 1.00 15.55 ? 184 TYR A CD1 1 ATOM 1384 C CD2 . TYR A 1 176 A -14.279 21.875 -23.879 1.00 15.73 ? 184 TYR A CD2 1 ATOM 1385 C CE1 . TYR A 1 176 A -16.854 22.869 -24.179 1.00 17.20 ? 184 TYR A CE1 1 ATOM 1386 C CE2 . TYR A 1 176 A -15.148 21.894 -22.783 1.00 16.35 ? 184 TYR A CE2 1 ATOM 1387 C CZ . TYR A 1 176 A -16.424 22.420 -22.931 1.00 20.86 ? 184 TYR A CZ 1 ATOM 1388 O OH . TYR A 1 176 A -17.284 22.403 -21.859 1.00 18.17 ? 184 TYR A OH 1 ATOM 1389 N N . ARG A 1 177 B -13.711 21.452 -29.547 1.00 17.68 ? 184 ARG A N 1 ATOM 1390 C CA . ARG A 1 177 B -13.035 21.598 -30.843 1.00 18.33 ? 184 ARG A CA 1 ATOM 1391 C C . ARG A 1 177 B -12.012 22.756 -30.718 1.00 21.55 ? 184 ARG A C 1 ATOM 1392 O O . ARG A 1 177 B -10.855 22.659 -31.160 1.00 21.11 ? 184 ARG A O 1 ATOM 1393 C CB . ARG A 1 177 B -14.108 21.897 -31.909 1.00 21.19 ? 184 ARG A CB 1 ATOM 1394 C CG . ARG A 1 177 B -13.803 21.408 -33.299 1.00 36.62 ? 184 ARG A CG 1 ATOM 1395 C CD . ARG A 1 177 B -14.984 21.737 -34.193 1.00 33.27 ? 184 ARG A CD 1 ATOM 1396 N NE . ARG A 1 177 B -15.946 20.633 -34.330 1.00 30.03 ? 184 ARG A NE 1 ATOM 1397 C CZ . ARG A 1 177 B -17.172 20.763 -34.835 1.00 43.58 ? 184 ARG A CZ 1 ATOM 1398 N NH1 . ARG A 1 177 B -17.628 21.961 -35.193 1.00 32.43 ? 184 ARG A NH1 1 ATOM 1399 N NH2 . ARG A 1 177 B -17.960 19.701 -34.966 1.00 31.05 ? 184 ARG A NH2 1 ATOM 1400 N N . GLU A 1 178 ? -12.412 23.815 -29.978 1.00 20.22 ? 185 GLU A N 1 ATOM 1401 C CA . GLU A 1 178 ? -11.570 24.977 -29.786 1.00 22.18 ? 185 GLU A CA 1 ATOM 1402 C C . GLU A 1 178 ? -10.569 24.793 -28.593 1.00 26.26 ? 185 GLU A C 1 ATOM 1403 O O . GLU A 1 178 ? -9.864 25.737 -28.240 1.00 27.94 ? 185 GLU A O 1 ATOM 1404 C CB . GLU A 1 178 ? -12.459 26.266 -29.697 1.00 24.56 ? 185 GLU A CB 1 ATOM 1405 C CG . GLU A 1 178 ? -13.415 26.425 -30.897 1.00 34.44 ? 185 GLU A CG 1 ATOM 1406 C CD . GLU A 1 178 ? -14.229 27.701 -31.066 1.00 52.65 ? 185 GLU A CD 1 ATOM 1407 O OE1 . GLU A 1 178 ? -15.353 27.630 -31.624 1.00 33.73 ? 185 GLU A OE1 1 ATOM 1408 O OE2 . GLU A 1 178 ? -13.745 28.775 -30.644 1.00 41.72 ? 185 GLU A OE2 1 ATOM 1409 N N . GLY A 1 179 ? -10.494 23.571 -28.012 1.00 21.44 ? 186 GLY A N 1 ATOM 1410 C CA . GLY A 1 179 ? -9.561 23.180 -26.948 1.00 19.75 ? 186 GLY A CA 1 ATOM 1411 C C . GLY A 1 179 ? -9.865 23.815 -25.603 1.00 23.17 ? 186 GLY A C 1 ATOM 1412 O O . GLY A 1 179 ? -10.918 24.439 -25.456 1.00 24.28 ? 186 GLY A O 1 ATOM 1413 N N . GLY A 1 180 ? -8.949 23.656 -24.650 1.00 22.65 ? 187 GLY A N 1 ATOM 1414 C CA . GLY A 1 180 ? -9.065 24.345 -23.368 1.00 22.52 ? 187 GLY A CA 1 ATOM 1415 C C . GLY A 1 180 ? -9.411 23.556 -22.125 1.00 23.27 ? 187 GLY A C 1 ATOM 1416 O O . GLY A 1 180 ? -9.059 23.994 -21.027 1.00 22.13 ? 187 GLY A O 1 ATOM 1417 N N . LYS A 1 181 ? -10.150 22.448 -22.270 1.00 19.46 ? 188 LYS A N 1 ATOM 1418 C CA . LYS A 1 181 ? -10.553 21.634 -21.106 1.00 19.92 ? 188 LYS A CA 1 ATOM 1419 C C . LYS A 1 181 ? -10.447 20.197 -21.502 1.00 21.95 ? 188 LYS A C 1 ATOM 1420 O O . LYS A 1 181 ? -11.018 19.795 -22.518 1.00 20.74 ? 188 LYS A O 1 ATOM 1421 C CB . LYS A 1 181 ? -12.010 21.912 -20.702 1.00 23.09 ? 188 LYS A CB 1 ATOM 1422 C CG . LYS A 1 181 ? -12.255 23.270 -20.108 1.00 27.48 ? 188 LYS A CG 1 ATOM 1423 C CD . LYS A 1 181 ? -13.710 23.380 -19.704 1.00 36.65 ? 188 LYS A CD 1 ATOM 1424 C CE . LYS A 1 181 ? -13.877 24.071 -18.383 1.00 50.68 ? 188 LYS A CE 1 ATOM 1425 N NZ . LYS A 1 181 ? -13.574 25.524 -18.475 1.00 65.28 ? 188 LYS A NZ 1 ATOM 1426 N N . ASP A 1 182 ? -9.775 19.382 -20.680 1.00 16.58 ? 189 ASP A N 1 ATOM 1427 C CA . ASP A 1 182 ? -9.598 17.970 -21.029 1.00 17.47 ? 189 ASP A CA 1 ATOM 1428 C C . ASP A 1 182 ? -8.876 17.311 -19.859 1.00 16.34 ? 189 ASP A C 1 ATOM 1429 O O . ASP A 1 182 ? -8.385 17.980 -18.959 1.00 15.93 ? 189 ASP A O 1 ATOM 1430 C CB . ASP A 1 182 ? -8.648 17.910 -22.291 1.00 20.93 ? 189 ASP A CB 1 ATOM 1431 C CG . ASP A 1 182 ? -8.178 16.587 -22.895 1.00 32.85 ? 189 ASP A CG 1 ATOM 1432 O OD1 . ASP A 1 182 ? -8.922 15.597 -22.800 1.00 32.98 ? 189 ASP A OD1 1 ATOM 1433 O OD2 . ASP A 1 182 ? -7.111 16.583 -23.601 1.00 31.21 ? 189 ASP A OD2 1 ATOM 1434 N N . ALA A 1 183 ? -8.812 15.990 -19.886 1.00 14.91 ? 190 ALA A N 1 ATOM 1435 C CA . ALA A 1 183 ? -7.999 15.263 -18.948 1.00 13.07 ? 190 ALA A CA 1 ATOM 1436 C C . ALA A 1 183 ? -6.506 15.478 -19.327 1.00 17.41 ? 190 ALA A C 1 ATOM 1437 O O . ALA A 1 183 ? -6.184 15.874 -20.456 1.00 17.34 ? 190 ALA A O 1 ATOM 1438 C CB . ALA A 1 183 ? -8.317 13.781 -19.061 1.00 13.22 ? 190 ALA A CB 1 ATOM 1439 N N . CYS A 1 184 ? -5.597 15.208 -18.377 1.00 14.66 ? 191 CYS A N 1 ATOM 1440 C CA A CYS A 1 184 ? -4.160 15.300 -18.637 0.50 14.83 ? 191 CYS A CA 1 ATOM 1441 C CA B CYS A 1 184 ? -4.152 15.301 -18.638 0.50 15.64 ? 191 CYS A CA 1 ATOM 1442 C C . CYS A 1 184 ? -3.452 14.261 -17.768 1.00 16.60 ? 191 CYS A C 1 ATOM 1443 O O . CYS A 1 184 ? -4.119 13.425 -17.137 1.00 15.13 ? 191 CYS A O 1 ATOM 1444 C CB A CYS A 1 184 ? -3.651 16.720 -18.391 0.50 15.25 ? 191 CYS A CB 1 ATOM 1445 C CB B CYS A 1 184 ? -3.626 16.720 -18.402 0.50 16.84 ? 191 CYS A CB 1 ATOM 1446 S SG A CYS A 1 184 ? -2.151 17.163 -19.317 0.50 18.83 ? 191 CYS A SG 1 ATOM 1447 S SG B CYS A 1 184 ? -1.927 17.026 -18.998 0.50 21.00 ? 191 CYS A SG 1 ATOM 1448 N N . LYS A 1 185 ? -2.124 14.250 -17.765 1.00 14.70 ? 192 LYS A N 1 ATOM 1449 C CA . LYS A 1 185 ? -1.344 13.278 -17.033 1.00 14.55 ? 192 LYS A CA 1 ATOM 1450 C C . LYS A 1 185 ? -1.769 13.168 -15.582 1.00 14.09 ? 192 LYS A C 1 ATOM 1451 O O . LYS A 1 185 ? -1.852 14.178 -14.887 1.00 14.40 ? 192 LYS A O 1 ATOM 1452 C CB . LYS A 1 185 ? 0.143 13.667 -17.120 1.00 16.94 ? 192 LYS A CB 1 ATOM 1453 C CG . LYS A 1 185 ? 0.607 13.638 -18.557 1.00 17.29 ? 192 LYS A CG 1 ATOM 1454 C CD . LYS A 1 185 ? 2.099 13.937 -18.636 1.00 18.68 ? 192 LYS A CD 1 ATOM 1455 C CE . LYS A 1 185 ? 2.576 13.511 -20.014 1.00 24.55 ? 192 LYS A CE 1 ATOM 1456 N NZ . LYS A 1 185 ? 4.064 13.569 -20.128 1.00 29.05 ? 192 LYS A NZ 1 ATOM 1457 N N . GLY A 1 186 ? -1.997 11.938 -15.123 1.00 12.69 ? 193 GLY A N 1 ATOM 1458 C CA . GLY A 1 186 ? -2.459 11.679 -13.756 1.00 13.22 ? 193 GLY A CA 1 ATOM 1459 C C . GLY A 1 186 ? -3.976 11.508 -13.649 1.00 14.76 ? 193 GLY A C 1 ATOM 1460 O O . GLY A 1 186 ? -4.485 11.095 -12.605 1.00 13.66 ? 193 GLY A O 1 ATOM 1461 N N . ASP A 1 187 ? -4.712 11.825 -14.727 1.00 12.50 ? 194 ASP A N 1 ATOM 1462 C CA . ASP A 1 187 ? -6.171 11.627 -14.684 1.00 11.59 ? 194 ASP A CA 1 ATOM 1463 C C . ASP A 1 187 ? -6.594 10.264 -15.202 1.00 12.66 ? 194 ASP A C 1 ATOM 1464 O O . ASP A 1 187 ? -7.748 9.867 -14.970 1.00 12.53 ? 194 ASP A O 1 ATOM 1465 C CB . ASP A 1 187 ? -6.837 12.690 -15.535 1.00 12.35 ? 194 ASP A CB 1 ATOM 1466 C CG . ASP A 1 187 ? -6.713 14.052 -14.926 1.00 13.60 ? 194 ASP A CG 1 ATOM 1467 O OD1 . ASP A 1 187 ? -6.899 14.165 -13.697 1.00 14.36 ? 194 ASP A OD1 1 ATOM 1468 O OD2 . ASP A 1 187 ? -6.489 15.028 -15.692 1.00 14.14 ? 194 ASP A OD2 1 ATOM 1469 N N . SER A 1 188 ? -5.724 9.561 -15.940 1.00 10.44 ? 195 SER A N 1 ATOM 1470 C CA . SER A 1 188 ? -6.173 8.319 -16.549 1.00 11.14 ? 195 SER A CA 1 ATOM 1471 C C . SER A 1 188 ? -6.647 7.309 -15.532 1.00 11.50 ? 195 SER A C 1 ATOM 1472 O O . SER A 1 188 ? -6.236 7.324 -14.364 1.00 12.45 ? 195 SER A O 1 ATOM 1473 C CB . SER A 1 188 ? -5.108 7.749 -17.461 1.00 12.89 ? 195 SER A CB 1 ATOM 1474 O OG . SER A 1 188 ? -4.019 7.348 -16.660 1.00 16.18 ? 195 SER A OG 1 ATOM 1475 N N . GLY A 1 189 ? -7.596 6.493 -15.983 1.00 10.92 ? 196 GLY A N 1 ATOM 1476 C CA . GLY A 1 189 ? -8.227 5.501 -15.135 1.00 10.44 ? 196 GLY A CA 1 ATOM 1477 C C . GLY A 1 189 ? -9.484 6.032 -14.471 1.00 11.20 ? 196 GLY A C 1 ATOM 1478 O O . GLY A 1 189 ? -10.341 5.259 -14.041 1.00 11.73 ? 196 GLY A O 1 ATOM 1479 N N . GLY A 1 190 ? -9.588 7.357 -14.331 1.00 10.56 ? 197 GLY A N 1 ATOM 1480 C CA . GLY A 1 190 ? -10.753 7.931 -13.680 1.00 9.82 ? 197 GLY A CA 1 ATOM 1481 C C . GLY A 1 190 ? -11.930 7.966 -14.625 1.00 11.84 ? 197 GLY A C 1 ATOM 1482 O O . GLY A 1 190 ? -11.850 7.572 -15.794 1.00 11.49 ? 197 GLY A O 1 ATOM 1483 N N . PRO A 1 191 ? -13.035 8.469 -14.088 1.00 9.96 ? 198 PRO A N 1 ATOM 1484 C CA . PRO A 1 191 ? -14.288 8.423 -14.829 1.00 9.91 ? 198 PRO A CA 1 ATOM 1485 C C . PRO A 1 191 ? -14.553 9.618 -15.740 1.00 11.82 ? 198 PRO A C 1 ATOM 1486 O O . PRO A 1 191 ? -14.128 10.764 -15.480 1.00 12.09 ? 198 PRO A O 1 ATOM 1487 C CB . PRO A 1 191 ? -15.343 8.475 -13.688 1.00 12.07 ? 198 PRO A CB 1 ATOM 1488 C CG . PRO A 1 191 ? -14.686 9.326 -12.634 1.00 14.17 ? 198 PRO A CG 1 ATOM 1489 C CD . PRO A 1 191 ? -13.228 8.862 -12.680 1.00 11.59 ? 198 PRO A CD 1 ATOM 1490 N N . LEU A 1 192 ? -15.350 9.330 -16.801 1.00 10.69 ? 199 LEU A N 1 ATOM 1491 C CA . LEU A 1 192 ? -16.046 10.337 -17.579 1.00 11.20 ? 199 LEU A CA 1 ATOM 1492 C C . LEU A 1 192 ? -17.506 10.005 -17.159 1.00 10.49 ? 199 LEU A C 1 ATOM 1493 O O . LEU A 1 192 ? -18.039 8.938 -17.509 1.00 12.32 ? 199 LEU A O 1 ATOM 1494 C CB . LEU A 1 192 ? -15.833 10.160 -19.086 1.00 12.36 ? 199 LEU A CB 1 ATOM 1495 C CG . LEU A 1 192 ? -16.646 11.108 -19.947 1.00 16.99 ? 199 LEU A CG 1 ATOM 1496 C CD1 . LEU A 1 192 ? -16.268 12.557 -19.691 1.00 16.84 ? 199 LEU A CD1 1 ATOM 1497 C CD2 . LEU A 1 192 ? -16.530 10.694 -21.417 1.00 17.48 ? 199 LEU A CD2 1 ATOM 1498 N N . SER A 1 193 ? -18.064 10.854 -16.290 1.00 11.70 ? 200 SER A N 1 ATOM 1499 C CA . SER A 1 193 ? -19.347 10.637 -15.623 1.00 11.66 ? 200 SER A CA 1 ATOM 1500 C C . SER A 1 193 ? -20.387 11.508 -16.301 1.00 14.57 ? 200 SER A C 1 ATOM 1501 O O . SER A 1 193 ? -20.179 12.700 -16.403 1.00 13.58 ? 200 SER A O 1 ATOM 1502 C CB . SER A 1 193 ? -19.210 11.044 -14.148 1.00 13.38 ? 200 SER A CB 1 ATOM 1503 O OG . SER A 1 193 ? -18.122 10.399 -13.481 1.00 13.11 ? 200 SER A OG 1 ATOM 1504 N N . CYS A 1 194 ? -21.524 10.913 -16.714 1.00 13.01 ? 201 CYS A N 1 ATOM 1505 C CA . CYS A 1 194 ? -22.595 11.677 -17.371 1.00 14.91 ? 201 CYS A CA 1 ATOM 1506 C C . CYS A 1 194 ? -23.858 11.523 -16.553 1.00 16.95 ? 201 CYS A C 1 ATOM 1507 O O . CYS A 1 194 ? -24.237 10.407 -16.230 1.00 15.40 ? 201 CYS A O 1 ATOM 1508 C CB . CYS A 1 194 ? -22.814 11.202 -18.799 1.00 15.30 ? 201 CYS A CB 1 ATOM 1509 S SG . CYS A 1 194 ? -21.329 11.300 -19.843 1.00 17.93 ? 201 CYS A SG 1 ATOM 1510 N N . LYS A 1 195 ? -24.495 12.644 -16.256 1.00 16.52 ? 202 LYS A N 1 ATOM 1511 C CA . LYS A 1 195 ? -25.743 12.638 -15.482 1.00 17.32 ? 202 LYS A CA 1 ATOM 1512 C C . LYS A 1 195 ? -26.889 12.644 -16.489 1.00 21.58 ? 202 LYS A C 1 ATOM 1513 O O . LYS A 1 195 ? -26.956 13.538 -17.335 1.00 20.98 ? 202 LYS A O 1 ATOM 1514 C CB . LYS A 1 195 ? -25.831 13.851 -14.579 1.00 18.78 ? 202 LYS A CB 1 ATOM 1515 C CG . LYS A 1 195 ? -26.969 13.732 -13.550 1.00 25.44 ? 202 LYS A CG 1 ATOM 1516 C CD . LYS A 1 195 ? -26.976 14.943 -12.651 1.00 27.57 ? 202 LYS A CD 1 ATOM 1517 C CE . LYS A 1 195 ? -27.922 14.776 -11.491 1.00 47.01 ? 202 LYS A CE 1 ATOM 1518 N NZ . LYS A 1 195 ? -28.090 16.042 -10.727 1.00 51.11 ? 202 LYS A NZ 1 ATOM 1519 N N . HIS A 1 196 ? -27.713 11.600 -16.436 1.00 19.90 ? 203 HIS A N 1 ATOM 1520 C CA . HIS A 1 196 ? -28.805 11.393 -17.379 1.00 21.22 ? 203 HIS A CA 1 ATOM 1521 C C . HIS A 1 196 ? -30.039 11.022 -16.575 1.00 21.49 ? 203 HIS A C 1 ATOM 1522 O O . HIS A 1 196 ? -30.041 10.032 -15.832 1.00 18.66 ? 203 HIS A O 1 ATOM 1523 C CB . HIS A 1 196 ? -28.447 10.275 -18.380 1.00 24.24 ? 203 HIS A CB 1 ATOM 1524 C CG . HIS A 1 196 ? -29.489 10.052 -19.438 1.00 29.78 ? 203 HIS A CG 1 ATOM 1525 N ND1 . HIS A 1 196 ? -30.161 8.841 -19.546 1.00 32.62 ? 203 HIS A ND1 1 ATOM 1526 C CD2 . HIS A 1 196 ? -29.948 10.896 -20.388 1.00 32.69 ? 203 HIS A CD2 1 ATOM 1527 C CE1 . HIS A 1 196 ? -31.008 8.990 -20.555 1.00 32.51 ? 203 HIS A CE1 1 ATOM 1528 N NE2 . HIS A 1 196 ? -30.926 10.210 -21.087 1.00 32.68 ? 203 HIS A NE2 1 ATOM 1529 N N . ASN A 1 197 ? -31.096 11.836 -16.699 1.00 19.80 ? 204 ASN A N 1 ATOM 1530 C CA . ASN A 1 197 ? -32.348 11.542 -15.974 1.00 19.83 ? 204 ASN A CA 1 ATOM 1531 C C . ASN A 1 197 ? -32.103 11.417 -14.461 1.00 22.58 ? 204 ASN A C 1 ATOM 1532 O O . ASN A 1 197 ? -32.612 10.499 -13.806 1.00 21.56 ? 204 ASN A O 1 ATOM 1533 C CB . ASN A 1 197 ? -33.054 10.303 -16.576 1.00 19.51 ? 204 ASN A CB 1 ATOM 1534 C CG . ASN A 1 197 ? -33.562 10.569 -17.963 1.00 18.95 ? 204 ASN A CG 1 ATOM 1535 O OD1 . ASN A 1 197 ? -33.912 11.694 -18.311 1.00 23.30 ? 204 ASN A OD1 1 ATOM 1536 N ND2 . ASN A 1 197 ? -33.668 9.527 -18.779 1.00 26.48 ? 204 ASN A ND2 1 ATOM 1537 N N . GLU A 1 198 ? -31.272 12.338 -13.941 1.00 20.22 ? 205 GLU A N 1 ATOM 1538 C CA . GLU A 1 198 ? -30.906 12.498 -12.535 1.00 22.78 ? 205 GLU A CA 1 ATOM 1539 C C . GLU A 1 198 ? -30.117 11.321 -11.944 1.00 25.68 ? 205 GLU A C 1 ATOM 1540 O O . GLU A 1 198 ? -30.040 11.175 -10.712 1.00 25.91 ? 205 GLU A O 1 ATOM 1541 C CB . GLU A 1 198 ? -32.145 12.837 -11.677 1.00 25.26 ? 205 GLU A CB 1 ATOM 1542 C CG . GLU A 1 198 ? -32.668 14.237 -11.940 1.00 34.91 ? 205 GLU A CG 1 ATOM 1543 C CD . GLU A 1 198 ? -31.647 15.334 -11.705 1.00 60.45 ? 205 GLU A CD 1 ATOM 1544 O OE1 . GLU A 1 198 ? -31.283 15.561 -10.529 1.00 55.15 ? 205 GLU A OE1 1 ATOM 1545 O OE2 . GLU A 1 198 ? -31.164 15.921 -12.701 1.00 61.48 ? 205 GLU A OE2 1 ATOM 1546 N N . VAL A 1 199 ? -29.508 10.515 -12.807 1.00 19.29 ? 206 VAL A N 1 ATOM 1547 C CA . VAL A 1 199 ? -28.660 9.403 -12.380 1.00 17.98 ? 206 VAL A CA 1 ATOM 1548 C C . VAL A 1 199 ? -27.307 9.545 -13.074 1.00 18.72 ? 206 VAL A C 1 ATOM 1549 O O . VAL A 1 199 ? -27.251 9.735 -14.289 1.00 17.87 ? 206 VAL A O 1 ATOM 1550 C CB . VAL A 1 199 ? -29.263 8.012 -12.637 1.00 21.87 ? 206 VAL A CB 1 ATOM 1551 C CG1 . VAL A 1 199 ? -28.289 6.894 -12.225 1.00 22.02 ? 206 VAL A CG1 1 ATOM 1552 C CG2 . VAL A 1 199 ? -30.600 7.864 -11.890 1.00 21.90 ? 206 VAL A CG2 1 ATOM 1553 N N . TRP A 1 200 ? -26.216 9.389 -12.312 1.00 17.49 ? 207 TRP A N 1 ATOM 1554 C CA . TRP A 1 200 ? -24.889 9.422 -12.918 1.00 14.87 ? 207 TRP A CA 1 ATOM 1555 C C . TRP A 1 200 ? -24.558 8.072 -13.497 1.00 16.34 ? 207 TRP A C 1 ATOM 1556 O O . TRP A 1 200 ? -24.806 7.041 -12.873 1.00 14.75 ? 207 TRP A O 1 ATOM 1557 C CB . TRP A 1 200 ? -23.859 9.787 -11.862 1.00 14.37 ? 207 TRP A CB 1 ATOM 1558 C CG . TRP A 1 200 ? -23.947 11.215 -11.460 1.00 14.85 ? 207 TRP A CG 1 ATOM 1559 C CD1 . TRP A 1 200 ? -24.565 11.735 -10.354 1.00 17.57 ? 207 TRP A CD1 1 ATOM 1560 C CD2 . TRP A 1 200 ? -23.353 12.313 -12.141 1.00 14.41 ? 207 TRP A CD2 1 ATOM 1561 N NE1 . TRP A 1 200 ? -24.359 13.088 -10.293 1.00 16.93 ? 207 TRP A NE1 1 ATOM 1562 C CE2 . TRP A 1 200 ? -23.644 13.479 -11.398 1.00 16.86 ? 207 TRP A CE2 1 ATOM 1563 C CE3 . TRP A 1 200 ? -22.595 12.435 -13.311 1.00 15.11 ? 207 TRP A CE3 1 ATOM 1564 C CZ2 . TRP A 1 200 ? -23.246 14.750 -11.815 1.00 15.51 ? 207 TRP A CZ2 1 ATOM 1565 C CZ3 . TRP A 1 200 ? -22.169 13.697 -13.708 1.00 15.97 ? 207 TRP A CZ3 1 ATOM 1566 C CH2 . TRP A 1 200 ? -22.512 14.836 -12.974 1.00 16.70 ? 207 TRP A CH2 1 ATOM 1567 N N . HIS A 1 201 ? -23.978 8.071 -14.697 1.00 14.61 ? 208 HIS A N 1 ATOM 1568 C CA . HIS A 1 201 ? -23.549 6.849 -15.341 1.00 15.15 ? 208 HIS A CA 1 ATOM 1569 C C . HIS A 1 201 ? -22.078 6.964 -15.714 1.00 13.97 ? 208 HIS A C 1 ATOM 1570 O O . HIS A 1 201 ? -21.605 8.043 -16.127 1.00 13.15 ? 208 HIS A O 1 ATOM 1571 C CB . HIS A 1 201 ? -24.345 6.577 -16.629 1.00 18.19 ? 208 HIS A CB 1 ATOM 1572 C CG . HIS A 1 201 ? -25.763 6.182 -16.343 1.00 22.81 ? 208 HIS A CG 1 ATOM 1573 N ND1 . HIS A 1 201 ? -26.111 4.875 -16.028 1.00 25.64 ? 208 HIS A ND1 1 ATOM 1574 C CD2 . HIS A 1 201 ? -26.870 6.952 -16.303 1.00 25.93 ? 208 HIS A CD2 1 ATOM 1575 C CE1 . HIS A 1 201 ? -27.420 4.899 -15.821 1.00 25.65 ? 208 HIS A CE1 1 ATOM 1576 N NE2 . HIS A 1 201 ? -27.916 6.125 -15.984 1.00 25.69 ? 208 HIS A NE2 1 ATOM 1577 N N . LEU A 1 202 ? -21.367 5.840 -15.559 1.00 12.57 ? 209 LEU A N 1 ATOM 1578 C CA . LEU A 1 202 ? -19.932 5.786 -15.880 1.00 12.65 ? 209 LEU A CA 1 ATOM 1579 C C . LEU A 1 202 ? -19.808 5.522 -17.376 1.00 14.60 ? 209 LEU A C 1 ATOM 1580 O O . LEU A 1 202 ? -19.756 4.362 -17.806 1.00 15.25 ? 209 LEU A O 1 ATOM 1581 C CB . LEU A 1 202 ? -19.255 4.682 -15.056 1.00 12.82 ? 209 LEU A CB 1 ATOM 1582 C CG . LEU A 1 202 ? -17.737 4.572 -15.247 1.00 15.38 ? 209 LEU A CG 1 ATOM 1583 C CD1 . LEU A 1 202 ? -17.056 5.883 -14.994 1.00 15.38 ? 209 LEU A CD1 1 ATOM 1584 C CD2 . LEU A 1 202 ? -17.161 3.471 -14.344 1.00 15.54 ? 209 LEU A CD2 1 ATOM 1585 N N . VAL A 1 203 ? -19.750 6.586 -18.172 1.00 12.35 ? 210 VAL A N 1 ATOM 1586 C CA . VAL A 1 203 ? -19.754 6.465 -19.632 1.00 11.65 ? 210 VAL A CA 1 ATOM 1587 C C . VAL A 1 203 ? -18.384 6.142 -20.193 1.00 13.34 ? 210 VAL A C 1 ATOM 1588 O O . VAL A 1 203 ? -18.278 5.327 -21.098 1.00 13.61 ? 210 VAL A O 1 ATOM 1589 C CB . VAL A 1 203 ? -20.397 7.738 -20.234 1.00 16.36 ? 210 VAL A CB 1 ATOM 1590 C CG1 . VAL A 1 203 ? -20.225 7.840 -21.758 1.00 15.28 ? 210 VAL A CG1 1 ATOM 1591 C CG2 . VAL A 1 203 ? -21.878 7.767 -19.881 1.00 16.75 ? 210 VAL A CG2 1 ATOM 1592 N N . GLY A 1 204 ? -17.341 6.717 -19.599 1.00 10.57 ? 211 GLY A N 1 ATOM 1593 C CA . GLY A 1 204 ? -15.997 6.495 -20.100 1.00 11.20 ? 211 GLY A CA 1 ATOM 1594 C C . GLY A 1 204 ? -14.975 6.328 -19.004 1.00 12.83 ? 211 GLY A C 1 ATOM 1595 O O . GLY A 1 204 ? -15.221 6.654 -17.837 1.00 12.73 ? 211 GLY A O 1 ATOM 1596 N N . ILE A 1 205 ? -13.814 5.780 -19.405 1.00 10.51 ? 212 ILE A N 1 ATOM 1597 C CA . ILE A 1 205 ? -12.645 5.675 -18.531 1.00 10.84 ? 212 ILE A CA 1 ATOM 1598 C C . ILE A 1 205 ? -11.558 6.490 -19.247 1.00 12.30 ? 212 ILE A C 1 ATOM 1599 O O . ILE A 1 205 ? -11.241 6.220 -20.426 1.00 11.25 ? 212 ILE A O 1 ATOM 1600 C CB . ILE A 1 205 ? -12.170 4.238 -18.342 1.00 11.70 ? 212 ILE A CB 1 ATOM 1601 C CG1 . ILE A 1 205 ? -13.278 3.359 -17.733 1.00 12.28 ? 212 ILE A CG1 1 ATOM 1602 C CG2 . ILE A 1 205 ? -10.874 4.244 -17.511 1.00 12.50 ? 212 ILE A CG2 1 ATOM 1603 C CD1 . ILE A 1 205 ? -12.926 1.903 -17.903 1.00 15.89 ? 212 ILE A CD1 1 ATOM 1604 N N . THR A 1 206 ? -10.994 7.483 -18.558 1.00 11.35 ? 213 THR A N 1 ATOM 1605 C CA . THR A 1 206 ? -9.939 8.310 -19.144 1.00 10.72 ? 213 THR A CA 1 ATOM 1606 C C . THR A 1 206 ? -8.796 7.444 -19.617 1.00 12.22 ? 213 THR A C 1 ATOM 1607 O O . THR A 1 206 ? -8.209 6.725 -18.821 1.00 11.61 ? 213 THR A O 1 ATOM 1608 C CB . THR A 1 206 ? -9.521 9.351 -18.100 1.00 11.74 ? 213 THR A CB 1 ATOM 1609 O OG1 . THR A 1 206 ? -10.695 10.073 -17.722 1.00 11.67 ? 213 THR A OG1 1 ATOM 1610 C CG2 . THR A 1 206 ? -8.463 10.314 -18.630 1.00 12.33 ? 213 THR A CG2 1 ATOM 1611 N N . SER A 1 207 ? -8.465 7.549 -20.911 1.00 11.15 ? 214 SER A N 1 ATOM 1612 C CA . SER A 1 207 ? -7.480 6.646 -21.495 1.00 10.78 ? 214 SER A CA 1 ATOM 1613 C C . SER A 1 207 ? -6.274 7.375 -22.125 1.00 12.63 ? 214 SER A C 1 ATOM 1614 O O . SER A 1 207 ? -5.159 7.224 -21.606 1.00 15.25 ? 214 SER A O 1 ATOM 1615 C CB . SER A 1 207 ? -8.182 5.701 -22.485 1.00 13.40 ? 214 SER A CB 1 ATOM 1616 O OG . SER A 1 207 ? -7.308 4.759 -23.101 1.00 13.79 ? 214 SER A OG 1 ATOM 1617 N N . TRP A 1 208 ? -6.468 8.163 -23.212 1.00 13.10 ? 215 TRP A N 1 ATOM 1618 C CA . TRP A 1 208 ? -5.318 8.806 -23.876 1.00 13.54 ? 215 TRP A CA 1 ATOM 1619 C C . TRP A 1 208 ? -5.748 9.965 -24.739 1.00 13.61 ? 215 TRP A C 1 ATOM 1620 O O . TRP A 1 208 ? -6.931 10.122 -25.013 1.00 13.14 ? 215 TRP A O 1 ATOM 1621 C CB . TRP A 1 208 ? -4.581 7.763 -24.777 1.00 13.85 ? 215 TRP A CB 1 ATOM 1622 C CG . TRP A 1 208 ? -5.410 7.223 -25.908 1.00 15.18 ? 215 TRP A CG 1 ATOM 1623 C CD1 . TRP A 1 208 ? -6.274 6.177 -25.846 1.00 17.28 ? 215 TRP A CD1 1 ATOM 1624 C CD2 . TRP A 1 208 ? -5.385 7.640 -27.295 1.00 15.89 ? 215 TRP A CD2 1 ATOM 1625 N NE1 . TRP A 1 208 ? -6.843 5.948 -27.079 1.00 16.78 ? 215 TRP A NE1 1 ATOM 1626 C CE2 . TRP A 1 208 ? -6.322 6.838 -27.987 1.00 18.39 ? 215 TRP A CE2 1 ATOM 1627 C CE3 . TRP A 1 208 ? -4.710 8.656 -28.001 1.00 17.60 ? 215 TRP A CE3 1 ATOM 1628 C CZ2 . TRP A 1 208 ? -6.556 6.966 -29.366 1.00 18.88 ? 215 TRP A CZ2 1 ATOM 1629 C CZ3 . TRP A 1 208 ? -4.969 8.808 -29.367 1.00 18.50 ? 215 TRP A CZ3 1 ATOM 1630 C CH2 . TRP A 1 208 ? -5.896 7.985 -30.027 1.00 19.30 ? 215 TRP A CH2 1 ATOM 1631 N N . GLY A 1 209 ? -4.767 10.737 -25.203 1.00 14.02 ? 216 GLY A N 1 ATOM 1632 C CA . GLY A 1 209 ? -5.010 11.816 -26.146 1.00 14.19 ? 216 GLY A CA 1 ATOM 1633 C C . GLY A 1 209 ? -3.696 12.335 -26.672 1.00 19.18 ? 216 GLY A C 1 ATOM 1634 O O . GLY A 1 209 ? -2.649 11.990 -26.139 1.00 19.78 ? 216 GLY A O 1 ATOM 1635 N N . GLU A 1 210 ? -3.743 13.173 -27.706 1.00 18.77 ? 217 GLU A N 1 ATOM 1636 C CA . GLU A 1 210 ? -2.493 13.762 -28.212 1.00 18.97 ? 217 GLU A CA 1 ATOM 1637 C C . GLU A 1 210 ? -2.406 15.122 -27.561 1.00 21.14 ? 217 GLU A C 1 ATOM 1638 O O . GLU A 1 210 ? -3.218 16.001 -27.871 1.00 20.98 ? 217 GLU A O 1 ATOM 1639 C CB . GLU A 1 210 ? -2.622 13.891 -29.720 1.00 20.14 ? 217 GLU A CB 1 ATOM 1640 C CG . GLU A 1 210 ? -1.412 14.440 -30.435 1.00 30.60 ? 217 GLU A CG 1 ATOM 1641 C CD . GLU A 1 210 ? -1.746 14.609 -31.902 1.00 47.91 ? 217 GLU A CD 1 ATOM 1642 O OE1 . GLU A 1 210 ? -2.243 13.637 -32.518 1.00 34.22 ? 217 GLU A OE1 1 ATOM 1643 O OE2 . GLU A 1 210 ? -1.627 15.749 -32.400 1.00 35.80 ? 217 GLU A OE2 1 ATOM 1644 N N . GLY A 1 211 ? -1.481 15.255 -26.620 1.00 20.89 ? 218 GLY A N 1 ATOM 1645 C CA . GLY A 1 211 ? -1.343 16.464 -25.813 1.00 21.04 ? 218 GLY A CA 1 ATOM 1646 C C . GLY A 1 211 ? -2.540 16.570 -24.880 1.00 24.63 ? 218 GLY A C 1 ATOM 1647 O O . GLY A 1 211 ? -3.334 15.623 -24.775 1.00 23.27 ? 218 GLY A O 1 ATOM 1648 N N . CYS A 1 212 ? -2.675 17.700 -24.211 1.00 21.97 ? 219 CYS A N 1 ATOM 1649 C CA A CYS A 1 212 ? -3.772 17.971 -23.263 0.50 19.59 ? 219 CYS A CA 1 ATOM 1650 C CA B CYS A 1 212 ? -3.832 17.892 -23.342 0.50 24.22 ? 219 CYS A CA 1 ATOM 1651 C C . CYS A 1 212 ? -4.533 19.192 -23.667 1.00 24.82 ? 219 CYS A C 1 ATOM 1652 O O . CYS A 1 212 ? -3.908 20.252 -23.761 1.00 24.83 ? 219 CYS A O 1 ATOM 1653 C CB A CYS A 1 212 ? -3.223 18.126 -21.853 0.50 18.34 ? 219 CYS A CB 1 ATOM 1654 C CB B CYS A 1 212 ? -3.473 17.773 -21.865 0.50 26.98 ? 219 CYS A CB 1 ATOM 1655 S SG A CYS A 1 212 ? -2.322 16.682 -21.276 0.50 19.89 ? 219 CYS A SG 1 ATOM 1656 S SG B CYS A 1 212 ? -2.274 18.998 -21.301 0.50 31.86 ? 219 CYS A SG 1 ATOM 1657 N N . ALA A 1 213 ? -5.839 19.069 -23.883 1.00 19.96 ? 220 ALA A N 1 ATOM 1658 C CA . ALA A 1 213 ? -6.766 20.143 -24.237 1.00 19.28 ? 220 ALA A CA 1 ATOM 1659 C C . ALA A 1 213 ? -6.336 20.945 -25.440 1.00 23.22 ? 220 ALA A C 1 ATOM 1660 O O . ALA A 1 213 ? -6.591 22.152 -25.517 1.00 23.43 ? 220 ALA A O 1 ATOM 1661 C CB . ALA A 1 213 ? -7.029 21.058 -23.050 1.00 21.22 ? 220 ALA A CB 1 ATOM 1662 N N . GLN A 1 214 ? -5.720 20.261 -26.418 1.00 19.39 ? 221 GLN A N 1 ATOM 1663 C CA . GLN A 1 214 ? -5.312 20.964 -27.621 1.00 20.37 ? 221 GLN A CA 1 ATOM 1664 C C . GLN A 1 214 ? -6.486 21.102 -28.550 1.00 22.53 ? 221 GLN A C 1 ATOM 1665 O O . GLN A 1 214 ? -7.435 20.320 -28.486 1.00 20.99 ? 221 GLN A O 1 ATOM 1666 C CB . GLN A 1 214 ? -4.110 20.269 -28.298 1.00 21.68 ? 221 GLN A CB 1 ATOM 1667 C CG . GLN A 1 214 ? -2.820 20.341 -27.465 1.00 29.49 ? 221 GLN A CG 1 ATOM 1668 C CD . GLN A 1 214 ? -2.460 21.762 -27.071 1.00 48.31 ? 221 GLN A CD 1 ATOM 1669 O OE1 . GLN A 1 214 ? -2.127 22.596 -27.921 1.00 42.57 ? 221 GLN A OE1 1 ATOM 1670 N NE2 . GLN A 1 214 ? -2.550 22.078 -25.771 1.00 35.25 ? 221 GLN A NE2 1 ATOM 1671 N N . ARG A 1 215 ? -6.449 22.115 -29.431 1.00 19.87 ? 222 ARG A N 1 ATOM 1672 C CA . ARG A 1 215 ? -7.536 22.317 -30.378 1.00 19.26 ? 222 ARG A CA 1 ATOM 1673 C C . ARG A 1 215 ? -7.657 21.096 -31.270 1.00 20.75 ? 222 ARG A C 1 ATOM 1674 O O . ARG A 1 215 ? -6.636 20.557 -31.681 1.00 20.46 ? 222 ARG A O 1 ATOM 1675 C CB . ARG A 1 215 ? -7.247 23.549 -31.280 1.00 23.05 ? 222 ARG A CB 1 ATOM 1676 C CG . ARG A 1 215 ? -7.322 24.872 -30.536 1.00 33.66 ? 222 ARG A CG 1 ATOM 1677 C CD . ARG A 1 215 ? -7.082 26.036 -31.490 1.00 46.23 ? 222 ARG A CD 1 ATOM 1678 N NE . ARG A 1 215 ? -8.158 26.146 -32.477 1.00 49.74 ? 222 ARG A NE 1 ATOM 1679 C CZ . ARG A 1 215 ? -9.215 26.939 -32.344 1.00 66.02 ? 222 ARG A CZ 1 ATOM 1680 N NH1 . ARG A 1 215 ? -9.335 27.727 -31.279 1.00 56.47 ? 222 ARG A NH1 1 ATOM 1681 N NH2 . ARG A 1 215 ? -10.154 26.962 -33.278 1.00 48.75 ? 222 ARG A NH2 1 ATOM 1682 N N . GLU A 1 216 ? -8.874 20.656 -31.543 1.00 17.48 ? 223 GLU A N 1 ATOM 1683 C CA . GLU A 1 216 ? -9.194 19.567 -32.472 1.00 18.07 ? 223 GLU A CA 1 ATOM 1684 C C . GLU A 1 216 ? -8.468 18.259 -32.119 1.00 19.06 ? 223 GLU A C 1 ATOM 1685 O O . GLU A 1 216 ? -8.184 17.436 -32.993 1.00 18.12 ? 223 GLU A O 1 ATOM 1686 C CB . GLU A 1 216 ? -8.933 20.021 -33.922 1.00 19.57 ? 223 GLU A CB 1 ATOM 1687 C CG . GLU A 1 216 ? -9.867 21.143 -34.358 1.00 22.78 ? 223 GLU A CG 1 ATOM 1688 C CD . GLU A 1 216 ? -9.524 21.838 -35.668 1.00 48.31 ? 223 GLU A CD 1 ATOM 1689 O OE1 . GLU A 1 216 ? -8.490 21.487 -36.283 1.00 35.81 ? 223 GLU A OE1 1 ATOM 1690 O OE2 . GLU A 1 216 ? -10.279 22.758 -36.065 1.00 38.15 ? 223 GLU A OE2 1 ATOM 1691 N N . ARG A 1 217 ? -8.184 18.064 -30.846 1.00 16.24 ? 224 ARG A N 1 ATOM 1692 C CA . ARG A 1 217 ? -7.547 16.815 -30.396 1.00 14.17 ? 224 ARG A CA 1 ATOM 1693 C C . ARG A 1 217 ? -8.299 16.358 -29.141 1.00 16.49 ? 224 ARG A C 1 ATOM 1694 O O . ARG A 1 217 ? -7.796 16.574 -28.028 1.00 16.27 ? 224 ARG A O 1 ATOM 1695 C CB . ARG A 1 217 ? -6.066 16.988 -30.090 1.00 16.93 ? 224 ARG A CB 1 ATOM 1696 C CG . ARG A 1 217 ? -5.184 17.219 -31.327 1.00 20.07 ? 224 ARG A CG 1 ATOM 1697 C CD . ARG A 1 217 ? -5.178 16.044 -32.305 1.00 22.86 ? 224 ARG A CD 1 ATOM 1698 N NE . ARG A 1 217 ? -4.307 16.332 -33.452 1.00 25.79 ? 224 ARG A NE 1 ATOM 1699 C CZ . ARG A 1 217 ? -4.705 16.927 -34.575 1.00 35.30 ? 224 ARG A CZ 1 ATOM 1700 N NH1 . ARG A 1 217 ? -5.971 17.308 -34.723 1.00 24.99 ? 224 ARG A NH1 1 ATOM 1701 N NH2 . ARG A 1 217 ? -3.848 17.120 -35.571 1.00 30.19 ? 224 ARG A NH2 1 ATOM 1702 N N . PRO A 1 218 ? -9.503 15.776 -29.316 1.00 14.81 ? 225 PRO A N 1 ATOM 1703 C CA . PRO A 1 218 ? -10.283 15.349 -28.132 1.00 14.99 ? 225 PRO A CA 1 ATOM 1704 C C . PRO A 1 218 ? -9.601 14.245 -27.332 1.00 15.86 ? 225 PRO A C 1 ATOM 1705 O O . PRO A 1 218 ? -8.783 13.495 -27.835 1.00 15.56 ? 225 PRO A O 1 ATOM 1706 C CB . PRO A 1 218 ? -11.585 14.782 -28.706 1.00 17.59 ? 225 PRO A CB 1 ATOM 1707 C CG . PRO A 1 218 ? -11.388 14.648 -30.176 1.00 19.96 ? 225 PRO A CG 1 ATOM 1708 C CD . PRO A 1 218 ? -10.176 15.419 -30.586 1.00 16.46 ? 225 PRO A CD 1 ATOM 1709 N N . GLY A 1 219 ? -9.978 14.140 -26.068 1.00 13.16 ? 226 GLY A N 1 ATOM 1710 C CA . GLY A 1 219 ? -9.515 13.032 -25.262 1.00 12.24 ? 226 GLY A CA 1 ATOM 1711 C C . GLY A 1 219 ? -10.263 11.781 -25.681 1.00 13.11 ? 226 GLY A C 1 ATOM 1712 O O . GLY A 1 219 ? -11.407 11.834 -26.138 1.00 12.94 ? 226 GLY A O 1 ATOM 1713 N N . VAL A 1 220 ? -9.596 10.646 -25.528 1.00 10.60 ? 227 VAL A N 1 ATOM 1714 C CA . VAL A 1 220 ? -10.135 9.340 -25.896 1.00 10.49 ? 227 VAL A CA 1 ATOM 1715 C C . VAL A 1 220 ? -10.341 8.544 -24.606 1.00 13.14 ? 227 VAL A C 1 ATOM 1716 O O . VAL A 1 220 ? -9.454 8.428 -23.747 1.00 13.53 ? 227 VAL A O 1 ATOM 1717 C CB . VAL A 1 220 ? -9.233 8.613 -26.927 1.00 13.31 ? 227 VAL A CB 1 ATOM 1718 C CG1 . VAL A 1 220 ? -9.903 7.321 -27.425 1.00 14.26 ? 227 VAL A CG1 1 ATOM 1719 C CG2 . VAL A 1 220 ? -8.882 9.544 -28.102 1.00 13.68 ? 227 VAL A CG2 1 ATOM 1720 N N . TYR A 1 221 ? -11.524 7.980 -24.510 1.00 11.95 ? 228 TYR A N 1 ATOM 1721 C CA . TYR A 1 221 ? -11.962 7.251 -23.322 1.00 11.50 ? 228 TYR A CA 1 ATOM 1722 C C . TYR A 1 221 ? -12.457 5.871 -23.687 1.00 12.43 ? 228 TYR A C 1 ATOM 1723 O O . TYR A 1 221 ? -13.015 5.652 -24.763 1.00 13.90 ? 228 TYR A O 1 ATOM 1724 C CB . TYR A 1 221 ? -13.121 8.030 -22.668 1.00 11.87 ? 228 TYR A CB 1 ATOM 1725 C CG . TYR A 1 221 ? -12.756 9.411 -22.218 1.00 11.43 ? 228 TYR A CG 1 ATOM 1726 C CD1 . TYR A 1 221 ? -12.653 10.461 -23.132 1.00 12.12 ? 228 TYR A CD1 1 ATOM 1727 C CD2 . TYR A 1 221 ? -12.571 9.696 -20.872 1.00 11.86 ? 228 TYR A CD2 1 ATOM 1728 C CE1 . TYR A 1 221 ? -12.311 11.740 -22.720 1.00 11.73 ? 228 TYR A CE1 1 ATOM 1729 C CE2 . TYR A 1 221 ? -12.216 10.967 -20.451 1.00 12.46 ? 228 TYR A CE2 1 ATOM 1730 C CZ . TYR A 1 221 ? -12.053 11.978 -21.382 1.00 12.72 ? 228 TYR A CZ 1 ATOM 1731 O OH . TYR A 1 221 ? -11.697 13.222 -20.943 1.00 14.22 ? 228 TYR A OH 1 ATOM 1732 N N . THR A 1 222 ? -12.287 4.923 -22.785 1.00 11.34 ? 229 THR A N 1 ATOM 1733 C CA . THR A 1 222 ? -12.830 3.590 -23.030 1.00 9.98 ? 229 THR A CA 1 ATOM 1734 C C . THR A 1 222 ? -14.348 3.718 -22.923 1.00 12.82 ? 229 THR A C 1 ATOM 1735 O O . THR A 1 222 ? -14.846 4.345 -21.980 1.00 11.87 ? 229 THR A O 1 ATOM 1736 C CB . THR A 1 222 ? -12.322 2.625 -21.967 1.00 11.52 ? 229 THR A CB 1 ATOM 1737 O OG1 . THR A 1 222 ? -10.896 2.585 -22.084 1.00 13.16 ? 229 THR A OG1 1 ATOM 1738 C CG2 . THR A 1 222 ? -12.905 1.192 -22.156 1.00 13.33 ? 229 THR A CG2 1 ATOM 1739 N N . ASN A 1 223 ? -15.092 3.171 -23.931 1.00 11.84 ? 230 ASN A N 1 ATOM 1740 C CA . ASN A 1 223 ? -16.557 3.266 -24.014 1.00 10.93 ? 230 ASN A CA 1 ATOM 1741 C C . ASN A 1 223 ? -17.132 2.146 -23.135 1.00 13.01 ? 230 ASN A C 1 ATOM 1742 O O . ASN A 1 223 ? -17.257 1.003 -23.567 1.00 14.28 ? 230 ASN A O 1 ATOM 1743 C CB . ASN A 1 223 ? -17.018 3.128 -25.469 1.00 13.03 ? 230 ASN A CB 1 ATOM 1744 C CG . ASN A 1 223 ? -18.481 3.419 -25.690 1.00 19.87 ? 230 ASN A CG 1 ATOM 1745 O OD1 . ASN A 1 223 ? -19.214 3.830 -24.796 1.00 18.60 ? 230 ASN A OD1 1 ATOM 1746 N ND2 . ASN A 1 223 ? -18.958 3.244 -26.918 1.00 19.07 ? 230 ASN A ND2 1 ATOM 1747 N N . VAL A 1 224 ? -17.423 2.486 -21.869 1.00 11.53 ? 231 VAL A N 1 ATOM 1748 C CA . VAL A 1 224 ? -17.805 1.487 -20.860 1.00 12.06 ? 231 VAL A CA 1 ATOM 1749 C C . VAL A 1 224 ? -18.985 0.607 -21.256 1.00 14.00 ? 231 VAL A C 1 ATOM 1750 O O . VAL A 1 224 ? -18.942 -0.599 -20.970 1.00 14.53 ? 231 VAL A O 1 ATOM 1751 C CB . VAL A 1 224 ? -18.057 2.201 -19.510 1.00 14.66 ? 231 VAL A CB 1 ATOM 1752 C CG1 . VAL A 1 224 ? -18.600 1.228 -18.452 1.00 14.28 ? 231 VAL A CG1 1 ATOM 1753 C CG2 . VAL A 1 224 ? -16.758 2.872 -19.003 1.00 15.08 ? 231 VAL A CG2 1 ATOM 1754 N N . VAL A 1 225 ? -19.991 1.189 -21.944 1.00 12.62 ? 232 VAL A N 1 ATOM 1755 C CA . VAL A 1 225 ? -21.197 0.406 -22.296 1.00 13.65 ? 232 VAL A CA 1 ATOM 1756 C C . VAL A 1 225 ? -20.828 -0.796 -23.149 1.00 17.57 ? 232 VAL A C 1 ATOM 1757 O O . VAL A 1 225 ? -21.488 -1.844 -23.066 1.00 17.75 ? 232 VAL A O 1 ATOM 1758 C CB . VAL A 1 225 ? -22.288 1.289 -22.928 1.00 17.19 ? 232 VAL A CB 1 ATOM 1759 C CG1 . VAL A 1 225 ? -21.910 1.708 -24.355 1.00 17.18 ? 232 VAL A CG1 1 ATOM 1760 C CG2 . VAL A 1 225 ? -23.659 0.587 -22.888 1.00 18.12 ? 232 VAL A CG2 1 ATOM 1761 N N . GLU A 1 226 ? -19.721 -0.699 -23.912 1.00 14.88 ? 233 GLU A N 1 ATOM 1762 C CA . GLU A 1 226 ? -19.295 -1.809 -24.772 1.00 15.56 ? 233 GLU A CA 1 ATOM 1763 C C . GLU A 1 226 ? -18.608 -2.932 -24.011 1.00 16.12 ? 233 GLU A C 1 ATOM 1764 O O . GLU A 1 226 ? -18.239 -3.943 -24.591 1.00 18.44 ? 233 GLU A O 1 ATOM 1765 C CB . GLU A 1 226 ? -18.399 -1.280 -25.914 1.00 16.99 ? 233 GLU A CB 1 ATOM 1766 C CG . GLU A 1 226 ? -19.160 -0.353 -26.844 1.00 19.81 ? 233 GLU A CG 1 ATOM 1767 C CD . GLU A 1 226 ? -20.314 -0.979 -27.616 1.00 31.91 ? 233 GLU A CD 1 ATOM 1768 O OE1 . GLU A 1 226 ? -20.259 -2.199 -27.904 1.00 30.92 ? 233 GLU A OE1 1 ATOM 1769 O OE2 . GLU A 1 226 ? -21.288 -0.249 -27.907 1.00 33.07 ? 233 GLU A OE2 1 ATOM 1770 N N . TYR A 1 227 ? -18.421 -2.738 -22.699 1.00 13.88 ? 234 TYR A N 1 ATOM 1771 C CA . TYR A 1 227 ? -17.741 -3.693 -21.831 1.00 13.27 ? 234 TYR A CA 1 ATOM 1772 C C . TYR A 1 227 ? -18.636 -4.128 -20.693 1.00 16.44 ? 234 TYR A C 1 ATOM 1773 O O . TYR A 1 227 ? -18.158 -4.820 -19.803 1.00 17.31 ? 234 TYR A O 1 ATOM 1774 C CB . TYR A 1 227 ? -16.464 -3.041 -21.277 1.00 13.01 ? 234 TYR A CB 1 ATOM 1775 C CG . TYR A 1 227 ? -15.418 -2.830 -22.344 1.00 13.06 ? 234 TYR A CG 1 ATOM 1776 C CD1 . TYR A 1 227 ? -14.552 -3.862 -22.713 1.00 15.15 ? 234 TYR A CD1 1 ATOM 1777 C CD2 . TYR A 1 227 ? -15.295 -1.608 -22.994 1.00 13.42 ? 234 TYR A CD2 1 ATOM 1778 C CE1 . TYR A 1 227 ? -13.577 -3.671 -23.691 1.00 15.24 ? 234 TYR A CE1 1 ATOM 1779 C CE2 . TYR A 1 227 ? -14.297 -1.393 -23.944 1.00 13.65 ? 234 TYR A CE2 1 ATOM 1780 C CZ . TYR A 1 227 ? -13.457 -2.434 -24.311 1.00 17.38 ? 234 TYR A CZ 1 ATOM 1781 O OH . TYR A 1 227 ? -12.468 -2.215 -25.244 1.00 17.26 ? 234 TYR A OH 1 ATOM 1782 N N . VAL A 1 228 ? -19.915 -3.788 -20.734 1.00 16.33 ? 235 VAL A N 1 ATOM 1783 C CA . VAL A 1 228 ? -20.816 -4.170 -19.627 1.00 17.03 ? 235 VAL A CA 1 ATOM 1784 C C . VAL A 1 228 ? -20.775 -5.687 -19.376 1.00 18.68 ? 235 VAL A C 1 ATOM 1785 O O . VAL A 1 228 ? -20.634 -6.103 -18.227 1.00 18.80 ? 235 VAL A O 1 ATOM 1786 C CB . VAL A 1 228 ? -22.252 -3.612 -19.826 1.00 22.08 ? 235 VAL A CB 1 ATOM 1787 C CG1 . VAL A 1 228 ? -23.252 -4.298 -18.886 1.00 21.92 ? 235 VAL A CG1 1 ATOM 1788 C CG2 . VAL A 1 228 ? -22.272 -2.101 -19.599 1.00 22.57 ? 235 VAL A CG2 1 ATOM 1789 N N . ASP A 1 229 ? -20.851 -6.516 -20.431 1.00 19.10 ? 236 ASP A N 1 ATOM 1790 C CA . ASP A 1 229 ? -20.833 -7.952 -20.187 1.00 19.06 ? 236 ASP A CA 1 ATOM 1791 C C . ASP A 1 229 ? -19.513 -8.453 -19.610 1.00 18.11 ? 236 ASP A C 1 ATOM 1792 O O . ASP A 1 229 ? -19.536 -9.301 -18.718 1.00 17.84 ? 236 ASP A O 1 ATOM 1793 C CB . ASP A 1 229 ? -21.186 -8.732 -21.452 1.00 21.85 ? 236 ASP A CB 1 ATOM 1794 C CG . ASP A 1 229 ? -22.541 -8.405 -22.060 1.00 33.89 ? 236 ASP A CG 1 ATOM 1795 O OD1 . ASP A 1 229 ? -23.442 -7.942 -21.313 1.00 32.88 ? 236 ASP A OD1 1 ATOM 1796 O OD2 . ASP A 1 229 ? -22.696 -8.598 -23.283 1.00 44.95 ? 236 ASP A OD2 1 ATOM 1797 N N . TRP A 1 230 ? -18.365 -7.927 -20.075 1.00 14.88 ? 237 TRP A N 1 ATOM 1798 C CA . TRP A 1 230 ? -17.051 -8.260 -19.557 1.00 14.39 ? 237 TRP A CA 1 ATOM 1799 C C . TRP A 1 230 ? -16.995 -7.889 -18.042 1.00 14.09 ? 237 TRP A C 1 ATOM 1800 O O . TRP A 1 230 ? -16.507 -8.666 -17.201 1.00 14.60 ? 237 TRP A O 1 ATOM 1801 C CB . TRP A 1 230 ? -15.977 -7.455 -20.309 1.00 13.84 ? 237 TRP A CB 1 ATOM 1802 C CG . TRP A 1 230 ? -14.587 -7.739 -19.852 1.00 14.86 ? 237 TRP A CG 1 ATOM 1803 C CD1 . TRP A 1 230 ? -13.800 -8.791 -20.234 1.00 17.18 ? 237 TRP A CD1 1 ATOM 1804 C CD2 . TRP A 1 230 ? -13.830 -7.004 -18.866 1.00 13.63 ? 237 TRP A CD2 1 ATOM 1805 N NE1 . TRP A 1 230 ? -12.599 -8.747 -19.578 1.00 16.75 ? 237 TRP A NE1 1 ATOM 1806 C CE2 . TRP A 1 230 ? -12.592 -7.661 -18.719 1.00 16.73 ? 237 TRP A CE2 1 ATOM 1807 C CE3 . TRP A 1 230 ? -14.080 -5.844 -18.105 1.00 14.09 ? 237 TRP A CE3 1 ATOM 1808 C CZ2 . TRP A 1 230 ? -11.599 -7.204 -17.842 1.00 16.23 ? 237 TRP A CZ2 1 ATOM 1809 C CZ3 . TRP A 1 230 ? -13.107 -5.401 -17.210 1.00 14.94 ? 237 TRP A CZ3 1 ATOM 1810 C CH2 . TRP A 1 230 ? -11.877 -6.054 -17.109 1.00 15.70 ? 237 TRP A CH2 1 ATOM 1811 N N . ILE A 1 231 ? -17.484 -6.678 -17.714 1.00 13.12 ? 238 ILE A N 1 ATOM 1812 C CA . ILE A 1 231 ? -17.488 -6.258 -16.311 1.00 13.14 ? 238 ILE A CA 1 ATOM 1813 C C . ILE A 1 231 ? -18.344 -7.193 -15.473 1.00 16.19 ? 238 ILE A C 1 ATOM 1814 O O . ILE A 1 231 ? -17.901 -7.603 -14.383 1.00 16.06 ? 238 ILE A O 1 ATOM 1815 C CB . ILE A 1 231 ? -17.961 -4.792 -16.176 1.00 14.63 ? 238 ILE A CB 1 ATOM 1816 C CG1 . ILE A 1 231 ? -16.986 -3.832 -16.935 1.00 14.58 ? 238 ILE A CG1 1 ATOM 1817 C CG2 . ILE A 1 231 ? -18.102 -4.431 -14.668 1.00 16.19 ? 238 ILE A CG2 1 ATOM 1818 C CD1 . ILE A 1 231 ? -17.505 -2.467 -17.123 1.00 15.47 ? 238 ILE A CD1 1 ATOM 1819 N N . LEU A 1 232 ? -19.572 -7.517 -15.953 1.00 14.70 ? 239 LEU A N 1 ATOM 1820 C CA . LEU A 1 232 ? -20.457 -8.405 -15.176 1.00 14.99 ? 239 LEU A CA 1 ATOM 1821 C C . LEU A 1 232 ? -19.810 -9.774 -15.030 1.00 17.47 ? 239 LEU A C 1 ATOM 1822 O O . LEU A 1 232 ? -19.836 -10.358 -13.941 1.00 17.63 ? 239 LEU A O 1 ATOM 1823 C CB . LEU A 1 232 ? -21.838 -8.535 -15.834 1.00 15.23 ? 239 LEU A CB 1 ATOM 1824 C CG . LEU A 1 232 ? -22.676 -7.279 -15.919 1.00 19.99 ? 239 LEU A CG 1 ATOM 1825 C CD1 . LEU A 1 232 ? -24.027 -7.559 -16.615 1.00 20.56 ? 239 LEU A CD1 1 ATOM 1826 C CD2 . LEU A 1 232 ? -22.887 -6.628 -14.526 1.00 23.89 ? 239 LEU A CD2 1 ATOM 1827 N N . GLU A 1 233 ? -19.201 -10.296 -16.114 1.00 15.00 ? 240 GLU A N 1 ATOM 1828 C CA . GLU A 1 233 ? -18.517 -11.580 -16.073 1.00 14.48 ? 240 GLU A CA 1 ATOM 1829 C C . GLU A 1 233 ? -17.422 -11.614 -15.002 1.00 17.71 ? 240 GLU A C 1 ATOM 1830 O O . GLU A 1 233 ? -17.359 -12.542 -14.183 1.00 17.33 ? 240 GLU A O 1 ATOM 1831 C CB . GLU A 1 233 ? -17.933 -11.917 -17.476 1.00 15.89 ? 240 GLU A CB 1 ATOM 1832 C CG . GLU A 1 233 ? -17.049 -13.149 -17.492 1.00 21.51 ? 240 GLU A CG 1 ATOM 1833 C CD . GLU A 1 233 ? -16.403 -13.415 -18.838 1.00 39.52 ? 240 GLU A CD 1 ATOM 1834 O OE1 . GLU A 1 233 ? -16.925 -12.911 -19.859 1.00 25.40 ? 240 GLU A OE1 1 ATOM 1835 O OE2 . GLU A 1 233 ? -15.369 -14.122 -18.875 1.00 30.97 ? 240 GLU A OE2 1 ATOM 1836 N N . LYS A 1 234 ? -16.565 -10.584 -15.004 1.00 14.82 ? 241 LYS A N 1 ATOM 1837 C CA . LYS A 1 234 ? -15.436 -10.610 -14.091 1.00 15.28 ? 241 LYS A CA 1 ATOM 1838 C C . LYS A 1 234 ? -15.815 -10.330 -12.643 1.00 16.68 ? 241 LYS A C 1 ATOM 1839 O O . LYS A 1 234 ? -15.176 -10.884 -11.746 1.00 18.91 ? 241 LYS A O 1 ATOM 1840 C CB . LYS A 1 234 ? -14.331 -9.644 -14.545 1.00 16.97 ? 241 LYS A CB 1 ATOM 1841 C CG . LYS A 1 234 ? -13.742 -9.982 -15.919 1.00 16.64 ? 241 LYS A CG 1 ATOM 1842 C CD . LYS A 1 234 ? -12.948 -11.297 -15.884 1.00 20.13 ? 241 LYS A CD 1 ATOM 1843 C CE . LYS A 1 234 ? -12.168 -11.507 -17.145 1.00 29.57 ? 241 LYS A CE 1 ATOM 1844 N NZ . LYS A 1 234 ? -11.341 -12.752 -17.048 1.00 30.85 ? 241 LYS A NZ 1 ATOM 1845 N N . THR A 1 235 ? -16.844 -9.502 -12.416 1.00 15.73 ? 242 THR A N 1 ATOM 1846 C CA . THR A 1 235 ? -17.264 -9.139 -11.046 1.00 15.69 ? 242 THR A CA 1 ATOM 1847 C C . THR A 1 235 ? -18.076 -10.249 -10.370 1.00 23.29 ? 242 THR A C 1 ATOM 1848 O O . THR A 1 235 ? -18.250 -10.203 -9.152 1.00 24.28 ? 242 THR A O 1 ATOM 1849 C CB . THR A 1 235 ? -17.980 -7.785 -11.002 1.00 18.85 ? 242 THR A CB 1 ATOM 1850 O OG1 . THR A 1 235 ? -19.131 -7.821 -11.854 1.00 18.48 ? 242 THR A OG1 1 ATOM 1851 C CG2 . THR A 1 235 ? -17.047 -6.608 -11.382 1.00 18.51 ? 242 THR A CG2 1 ATOM 1852 N N . GLN A 1 236 ? -18.539 -11.274 -11.127 1.00 20.03 ? 243 GLN A N 1 ATOM 1853 C CA . GLN A 1 236 ? -19.268 -12.388 -10.492 1.00 20.11 ? 243 GLN A CA 1 ATOM 1854 C C . GLN A 1 236 ? -18.376 -13.620 -10.278 1.00 26.10 ? 243 GLN A C 1 ATOM 1855 O O . GLN A 1 236 ? -18.843 -14.609 -9.692 1.00 27.12 ? 243 GLN A O 1 ATOM 1856 C CB . GLN A 1 236 ? -20.519 -12.775 -11.294 1.00 20.59 ? 243 GLN A CB 1 ATOM 1857 C CG . GLN A 1 236 ? -20.233 -13.428 -12.634 1.00 18.04 ? 243 GLN A CG 1 ATOM 1858 C CD . GLN A 1 236 ? -21.507 -13.753 -13.359 1.00 18.99 ? 243 GLN A CD 1 ATOM 1859 O OE1 . GLN A 1 236 ? -22.422 -12.935 -13.474 1.00 19.88 ? 243 GLN A OE1 1 ATOM 1860 N NE2 . GLN A 1 236 ? -21.600 -15.003 -13.802 1.00 18.47 ? 243 GLN A NE2 1 ATOM 1861 N N . ALA A 1 237 ? -17.130 -13.591 -10.787 1.00 24.42 ? 244 ALA A N 1 ATOM 1862 C CA . ALA A 1 237 ? -16.196 -14.731 -10.743 1.00 38.18 ? 244 ALA A CA 1 ATOM 1863 C C . ALA A 1 237 ? -15.805 -15.186 -9.342 1.00 68.93 ? 244 ALA A C 1 ATOM 1864 O O . ALA A 1 237 ? -15.748 -14.376 -8.426 1.00 34.82 ? 244 ALA A O 1 ATOM 1865 C CB . ALA A 1 237 ? -14.951 -14.440 -11.567 1.00 39.02 ? 244 ALA A CB 1 HETATM 1866 C C1 . NAG B 2 . ? -19.347 -2.038 7.409 1.00 25.61 ? 301 NAG A C1 1 HETATM 1867 C C2 . NAG B 2 . ? -18.011 -2.387 8.070 1.00 21.89 ? 301 NAG A C2 1 HETATM 1868 C C3 . NAG B 2 . ? -18.214 -3.485 9.117 1.00 24.58 ? 301 NAG A C3 1 HETATM 1869 C C4 . NAG B 2 . ? -19.359 -3.151 10.065 1.00 30.74 ? 301 NAG A C4 1 HETATM 1870 C C5 . NAG B 2 . ? -20.635 -2.884 9.270 1.00 31.69 ? 301 NAG A C5 1 HETATM 1871 C C6 . NAG B 2 . ? -21.808 -2.485 10.141 1.00 36.60 ? 301 NAG A C6 1 HETATM 1872 C C7 . NAG B 2 . ? -16.232 -2.126 6.348 1.00 19.79 ? 301 NAG A C7 1 HETATM 1873 C C8 . NAG B 2 . ? -15.472 -2.855 5.280 1.00 20.88 ? 301 NAG A C8 1 HETATM 1874 N N2 . NAG B 2 . ? -17.107 -2.869 7.036 1.00 20.17 ? 301 NAG A N2 1 HETATM 1875 O O3 . NAG B 2 . ? -17.005 -3.595 9.860 1.00 22.66 ? 301 NAG A O3 1 HETATM 1876 O O4 . NAG B 2 . ? -19.578 -4.247 10.947 1.00 31.22 ? 301 NAG A O4 1 HETATM 1877 O O5 . NAG B 2 . ? -20.397 -1.797 8.354 1.00 28.84 ? 301 NAG A O5 1 HETATM 1878 O O6 . NAG B 2 . ? -21.618 -1.194 10.702 1.00 42.15 ? 301 NAG A O6 1 HETATM 1879 O O7 . NAG B 2 . ? -16.084 -0.923 6.548 1.00 23.73 ? 301 NAG A O7 1 HETATM 1880 C C18 . 5SU C 3 . ? -3.010 10.065 -18.273 1.00 14.37 ? 302 5SU A C18 1 HETATM 1881 C C16 . 5SU C 3 . ? -0.083 6.204 -17.534 1.00 20.63 ? 302 5SU A C16 1 HETATM 1882 C C15 . 5SU C 3 . ? -0.679 7.212 -18.501 1.00 18.81 ? 302 5SU A C15 1 HETATM 1883 C C20 . 5SU C 3 . ? 0.986 5.381 -17.952 1.00 25.17 ? 302 5SU A C20 1 HETATM 1884 C C21 . 5SU C 3 . ? 1.547 4.436 -17.080 1.00 24.60 ? 302 5SU A C21 1 HETATM 1885 C C22 . 5SU C 3 . ? 1.058 4.319 -15.767 1.00 23.28 ? 302 5SU A C22 1 HETATM 1886 C C23 . 5SU C 3 . ? 0.020 5.132 -15.346 1.00 19.89 ? 302 5SU A C23 1 HETATM 1887 C C24 . 5SU C 3 . ? -0.562 6.050 -16.222 1.00 19.03 ? 302 5SU A C24 1 HETATM 1888 C C11 . 5SU C 3 . ? 1.800 10.832 -11.262 1.00 19.65 ? 302 5SU A C11 1 HETATM 1889 C C12 . 5SU C 3 . ? 2.379 11.709 -12.191 1.00 18.38 ? 302 5SU A C12 1 HETATM 1890 C C34 . 5SU C 3 . ? -6.400 13.119 -22.924 1.00 16.10 ? 302 5SU A C34 1 HETATM 1891 C C33 . 5SU C 3 . ? -5.073 13.522 -22.929 1.00 16.40 ? 302 5SU A C33 1 HETATM 1892 C C1 . 5SU C 3 . ? 0.014 9.317 -17.341 1.00 17.61 ? 302 5SU A C1 1 HETATM 1893 N N2 . 5SU C 3 . ? 0.904 9.757 -18.245 1.00 20.12 ? 302 5SU A N2 1 HETATM 1894 C C3 . 5SU C 3 . ? 1.967 10.431 -17.777 1.00 18.77 ? 302 5SU A C3 1 HETATM 1895 C C4 . 5SU C 3 . ? 2.198 10.662 -16.434 1.00 17.21 ? 302 5SU A C4 1 HETATM 1896 C C5 . 5SU C 3 . ? 1.263 10.204 -15.498 1.00 16.79 ? 302 5SU A C5 1 HETATM 1897 C C6 . 5SU C 3 . ? 0.149 9.526 -15.997 1.00 17.73 ? 302 5SU A C6 1 HETATM 1898 C C7 . 5SU C 3 . ? 1.417 10.450 -14.036 1.00 17.95 ? 302 5SU A C7 1 HETATM 1899 C C8 . 5SU C 3 . ? 2.169 11.528 -13.550 1.00 18.64 ? 302 5SU A C8 1 HETATM 1900 C C9 . 5SU C 3 . ? 1.011 9.779 -11.732 1.00 17.04 ? 302 5SU A C9 1 HETATM 1901 C C10 . 5SU C 3 . ? 0.845 9.584 -13.094 1.00 18.41 ? 302 5SU A C10 1 HETATM 1902 N N13 . 5SU C 3 . ? 1.963 10.897 -9.857 1.00 20.08 ? 302 5SU A N13 1 HETATM 1903 C C14 . 5SU C 3 . ? -1.141 8.532 -17.873 1.00 17.26 ? 302 5SU A C14 1 HETATM 1904 N N17 . 5SU C 3 . ? -1.981 9.290 -18.799 1.00 16.40 ? 302 5SU A N17 1 HETATM 1905 O O19 . 5SU C 3 . ? -3.147 10.253 -17.052 1.00 14.91 ? 302 5SU A O19 1 HETATM 1906 C C25 . 5SU C 3 . ? 2.730 11.784 -9.170 1.00 24.76 ? 302 5SU A C25 1 HETATM 1907 O O26 . 5SU C 3 . ? 3.326 12.735 -9.647 1.00 25.52 ? 302 5SU A O26 1 HETATM 1908 O O27 . 5SU C 3 . ? 2.709 11.466 -7.870 1.00 25.09 ? 302 5SU A O27 1 HETATM 1909 C C28 . 5SU C 3 . ? 3.376 12.425 -6.963 1.00 25.98 ? 302 5SU A C28 1 HETATM 1910 C C29 . 5SU C 3 . ? -3.857 10.786 -19.218 1.00 14.54 ? 302 5SU A C29 1 HETATM 1911 C C30 . 5SU C 3 . ? -3.608 11.026 -20.478 1.00 16.09 ? 302 5SU A C30 1 HETATM 1912 C C31 . 5SU C 3 . ? -4.518 11.758 -21.355 1.00 14.95 ? 302 5SU A C31 1 HETATM 1913 C C32 . 5SU C 3 . ? -4.122 12.843 -22.157 1.00 16.96 ? 302 5SU A C32 1 HETATM 1914 C C35 . 5SU C 3 . ? -6.773 12.046 -22.148 1.00 15.88 ? 302 5SU A C35 1 HETATM 1915 C C36 . 5SU C 3 . ? -5.866 11.369 -21.364 1.00 15.96 ? 302 5SU A C36 1 HETATM 1916 N N37 . 5SU C 3 . ? -2.742 13.226 -22.252 1.00 20.00 ? 302 5SU A N37 1 HETATM 1917 C C38 . 5SU C 3 . ? -1.922 13.361 -23.298 1.00 21.09 ? 302 5SU A C38 1 HETATM 1918 N N39 . 5SU C 3 . ? -0.734 13.712 -22.887 1.00 19.59 ? 302 5SU A N39 1 HETATM 1919 N N40 . 5SU C 3 . ? -0.827 13.796 -21.538 1.00 24.90 ? 302 5SU A N40 1 HETATM 1920 N N41 . 5SU C 3 . ? -2.030 13.516 -21.133 1.00 22.68 ? 302 5SU A N41 1 HETATM 1921 CL CL4 . 5SU C 3 . ? -8.429 11.518 -22.179 1.00 15.94 ? 302 5SU A CL4 1 HETATM 1922 H H53 . 5SU C 3 . ? 0.040 7.409 -19.294 0.00 18.94 ? 302 5SU A H53 1 HETATM 1923 H H52 . 5SU C 3 . ? -1.515 6.766 -19.036 0.00 18.94 ? 302 5SU A H52 1 HETATM 1924 H H55 . 5SU C 3 . ? 1.383 5.479 -18.961 0.00 25.34 ? 302 5SU A H55 1 HETATM 1925 H H56 . 5SU C 3 . ? 2.359 3.799 -17.426 0.00 24.75 ? 302 5SU A H56 1 HETATM 1926 H H57 . 5SU C 3 . ? 1.498 3.595 -15.084 0.00 23.40 ? 302 5SU A H57 1 HETATM 1927 H H58 . 5SU C 3 . ? -0.350 5.057 -14.325 0.00 20.01 ? 302 5SU A H58 1 HETATM 1928 H H59 . 5SU C 3 . ? -1.423 6.609 -15.861 0.00 19.15 ? 302 5SU A H59 1 HETATM 1929 H H49 . 5SU C 3 . ? 3.006 12.560 -11.931 0.00 18.49 ? 302 5SU A H49 1 HETATM 1930 H H66 . 5SU C 3 . ? -7.136 13.659 -23.517 0.00 16.21 ? 302 5SU A H66 1 HETATM 1931 H H65 . 5SU C 3 . ? -4.811 14.391 -23.528 0.00 16.52 ? 302 5SU A H65 1 HETATM 1932 H H43 . 5SU C 3 . ? 2.623 10.806 -18.559 0.00 18.91 ? 302 5SU A H43 1 HETATM 1933 H H44 . 5SU C 3 . ? 3.092 11.202 -16.129 0.00 17.33 ? 302 5SU A H44 1 HETATM 1934 H H45 . 5SU C 3 . ? -0.627 9.194 -15.312 0.00 17.83 ? 302 5SU A H45 1 HETATM 1935 H H46 . 5SU C 3 . ? 2.579 12.274 -14.229 0.00 18.77 ? 302 5SU A H46 1 HETATM 1936 H H47 . 5SU C 3 . ? 0.492 9.097 -11.063 0.00 17.16 ? 302 5SU A H47 1 HETATM 1937 H H48 . 5SU C 3 . ? 0.289 8.703 -13.409 0.00 18.52 ? 302 5SU A H48 1 HETATM 1938 H H50 . 5SU C 3 . ? 1.445 10.205 -9.324 0.00 20.18 ? 302 5SU A H50 1 HETATM 1939 H H51 . 5SU C 3 . ? -1.759 8.268 -17.019 0.00 17.40 ? 302 5SU A H51 1 HETATM 1940 H H54 . 5SU C 3 . ? -1.769 9.186 -19.786 0.00 16.51 ? 302 5SU A H54 1 HETATM 1941 H H62 . 5SU C 3 . ? 4.379 12.687 -7.297 0.00 26.08 ? 302 5SU A H62 1 HETATM 1942 H H61 . 5SU C 3 . ? 2.787 13.333 -6.837 0.00 26.08 ? 302 5SU A H61 1 HETATM 1943 H H60 . 5SU C 3 . ? 3.436 11.870 -6.028 0.00 26.08 ? 302 5SU A H60 1 HETATM 1944 H H63 . 5SU C 3 . ? -4.792 11.160 -18.804 0.00 14.64 ? 302 5SU A H63 1 HETATM 1945 H H64 . 5SU C 3 . ? -2.687 10.727 -20.975 0.00 16.23 ? 302 5SU A H64 1 HETATM 1946 H H67 . 5SU C 3 . ? -6.196 10.525 -20.760 0.00 16.07 ? 302 5SU A H67 1 HETATM 1947 H H68 . 5SU C 3 . ? -2.205 13.247 -24.341 0.00 21.21 ? 302 5SU A H68 1 HETATM 1948 O O . HOH D 4 . ? -17.224 9.399 -29.373 1.00 24.55 ? 401 HOH A O 1 HETATM 1949 O O . HOH D 4 . ? -11.420 15.106 -22.806 1.00 29.76 ? 402 HOH A O 1 HETATM 1950 O O . HOH D 4 . ? -22.153 12.542 -1.835 1.00 31.77 ? 403 HOH A O 1 HETATM 1951 O O . HOH D 4 . ? -7.948 22.001 -13.416 1.00 32.15 ? 404 HOH A O 1 HETATM 1952 O O . HOH D 4 . ? -22.162 0.016 -10.667 1.00 21.75 ? 405 HOH A O 1 HETATM 1953 O O . HOH D 4 . ? -26.893 4.906 -9.196 1.00 24.79 ? 406 HOH A O 1 HETATM 1954 O O . HOH D 4 . ? -21.122 17.901 -9.594 1.00 21.61 ? 407 HOH A O 1 HETATM 1955 O O . HOH D 4 . ? -16.285 12.322 -13.602 1.00 15.16 ? 408 HOH A O 1 HETATM 1956 O O . HOH D 4 . ? -14.285 13.525 1.543 1.00 35.24 ? 409 HOH A O 1 HETATM 1957 O O . HOH D 4 . ? -3.036 -3.934 -1.922 1.00 20.05 ? 410 HOH A O 1 HETATM 1958 O O . HOH D 4 . ? -12.742 17.686 -32.768 1.00 28.55 ? 411 HOH A O 1 HETATM 1959 O O . HOH D 4 . ? -0.684 11.848 -2.607 1.00 30.27 ? 412 HOH A O 1 HETATM 1960 O O . HOH D 4 . ? -1.597 11.074 -32.097 1.00 43.66 ? 413 HOH A O 1 HETATM 1961 O O . HOH D 4 . ? -19.303 14.506 2.021 1.00 34.45 ? 414 HOH A O 1 HETATM 1962 O O . HOH D 4 . ? -3.631 13.189 -34.786 1.00 27.92 ? 415 HOH A O 1 HETATM 1963 O O . HOH D 4 . ? 1.385 17.878 -6.053 1.00 31.80 ? 416 HOH A O 1 HETATM 1964 O O . HOH D 4 . ? -10.945 20.275 -25.160 1.00 21.58 ? 417 HOH A O 1 HETATM 1965 O O . HOH D 4 . ? -8.841 19.094 -26.549 1.00 27.56 ? 418 HOH A O 1 HETATM 1966 O O . HOH D 4 . ? -23.308 -10.406 -13.204 1.00 22.38 ? 419 HOH A O 1 HETATM 1967 O O . HOH D 4 . ? -6.579 17.906 -12.005 1.00 14.72 ? 420 HOH A O 1 HETATM 1968 O O . HOH D 4 . ? -10.514 18.794 -28.673 1.00 26.33 ? 421 HOH A O 1 HETATM 1969 O O . HOH D 4 . ? -24.803 6.281 -10.286 1.00 18.56 ? 422 HOH A O 1 HETATM 1970 O O . HOH D 4 . ? -20.359 4.170 -22.378 1.00 16.20 ? 423 HOH A O 1 HETATM 1971 O O . HOH D 4 . ? -7.579 26.095 -20.205 1.00 37.65 ? 424 HOH A O 1 HETATM 1972 O O . HOH D 4 . ? -22.044 15.733 -25.084 1.00 32.78 ? 425 HOH A O 1 HETATM 1973 O O . HOH D 4 . ? -19.516 17.778 -29.522 1.00 20.20 ? 426 HOH A O 1 HETATM 1974 O O . HOH D 4 . ? -16.561 -16.544 -18.981 1.00 44.49 ? 427 HOH A O 1 HETATM 1975 O O . HOH D 4 . ? -12.710 -11.991 -11.781 1.00 45.27 ? 428 HOH A O 1 HETATM 1976 O O . HOH D 4 . ? -16.115 11.690 -2.008 1.00 37.54 ? 429 HOH A O 1 HETATM 1977 O O . HOH D 4 . ? -11.822 0.319 -25.930 1.00 15.32 ? 430 HOH A O 1 HETATM 1978 O O . HOH D 4 . ? -18.597 5.712 -29.190 1.00 31.41 ? 431 HOH A O 1 HETATM 1979 O O . HOH D 4 . ? -21.685 -2.212 0.524 1.00 37.00 ? 432 HOH A O 1 HETATM 1980 O O . HOH D 4 . ? 1.019 2.015 -19.707 1.00 28.41 ? 433 HOH A O 1 HETATM 1981 O O . HOH D 4 . ? -24.235 9.916 -26.116 1.00 37.41 ? 434 HOH A O 1 HETATM 1982 O O . HOH D 4 . ? -13.117 22.692 -2.775 1.00 24.63 ? 435 HOH A O 1 HETATM 1983 O O . HOH D 4 . ? 3.999 23.181 -12.239 1.00 42.11 ? 436 HOH A O 1 HETATM 1984 O O . HOH D 4 . ? -4.914 -8.526 -27.965 1.00 39.67 ? 437 HOH A O 1 HETATM 1985 O O . HOH D 4 . ? -10.070 1.801 8.231 1.00 41.06 ? 438 HOH A O 1 HETATM 1986 O O . HOH D 4 . ? -19.677 -4.255 3.673 1.00 35.03 ? 439 HOH A O 1 HETATM 1987 O O . HOH D 4 . ? 6.023 -1.925 -9.208 1.00 50.10 ? 440 HOH A O 1 HETATM 1988 O O . HOH D 4 . ? -7.898 0.952 -31.809 1.00 42.21 ? 441 HOH A O 1 HETATM 1989 O O . HOH D 4 . ? -18.957 -11.594 -21.076 1.00 25.11 ? 442 HOH A O 1 HETATM 1990 O O . HOH D 4 . ? -25.050 3.766 -7.431 1.00 35.01 ? 443 HOH A O 1 HETATM 1991 O O . HOH D 4 . ? -25.391 18.663 -13.579 1.00 41.75 ? 444 HOH A O 1 HETATM 1992 O O . HOH D 4 . ? -10.021 1.615 -24.463 1.00 14.73 ? 445 HOH A O 1 HETATM 1993 O O . HOH D 4 . ? -28.818 3.410 -10.567 1.00 38.87 ? 446 HOH A O 1 HETATM 1994 O O . HOH D 4 . ? -31.707 10.224 -8.790 1.00 44.63 ? 447 HOH A O 1 HETATM 1995 O O . HOH D 4 . ? 2.338 1.587 -13.654 1.00 25.82 ? 448 HOH A O 1 HETATM 1996 O O . HOH D 4 . ? -27.127 4.912 -19.191 1.00 36.27 ? 449 HOH A O 1 HETATM 1997 O O . HOH D 4 . ? -8.297 3.529 -25.335 1.00 16.13 ? 450 HOH A O 1 HETATM 1998 O O . HOH D 4 . ? -2.869 5.329 4.520 1.00 31.04 ? 451 HOH A O 1 HETATM 1999 O O . HOH D 4 . ? -5.486 -4.765 -28.334 1.00 34.33 ? 452 HOH A O 1 HETATM 2000 O O . HOH D 4 . ? -17.375 -15.260 -14.337 1.00 23.70 ? 453 HOH A O 1 HETATM 2001 O O . HOH D 4 . ? -13.742 13.648 -3.352 1.00 27.92 ? 454 HOH A O 1 HETATM 2002 O O . HOH D 4 . ? -5.956 22.612 -2.273 1.00 37.83 ? 455 HOH A O 1 HETATM 2003 O O . HOH D 4 . ? -14.553 7.964 -3.175 1.00 16.19 ? 456 HOH A O 1 HETATM 2004 O O . HOH D 4 . ? -4.864 -2.668 -26.781 1.00 22.90 ? 457 HOH A O 1 HETATM 2005 O O . HOH D 4 . ? -23.178 -2.117 -5.430 1.00 37.82 ? 458 HOH A O 1 HETATM 2006 O O . HOH D 4 . ? -13.350 4.784 -36.882 1.00 38.31 ? 459 HOH A O 1 HETATM 2007 O O . HOH D 4 . ? 2.236 -1.809 0.064 1.00 42.08 ? 460 HOH A O 1 HETATM 2008 O O . HOH D 4 . ? -0.194 3.339 6.179 1.00 51.60 ? 461 HOH A O 1 HETATM 2009 O O . HOH D 4 . ? -0.900 17.525 -2.073 1.00 31.41 ? 462 HOH A O 1 HETATM 2010 O O . HOH D 4 . ? -2.560 -7.970 -2.247 1.00 41.85 ? 463 HOH A O 1 HETATM 2011 O O . HOH D 4 . ? 4.619 0.828 -8.963 1.00 41.41 ? 464 HOH A O 1 HETATM 2012 O O . HOH D 4 . ? -0.696 -2.356 -18.288 1.00 32.49 ? 465 HOH A O 1 HETATM 2013 O O . HOH D 4 . ? -14.508 -2.497 9.705 1.00 23.57 ? 466 HOH A O 1 HETATM 2014 O O . HOH D 4 . ? -24.365 20.752 -16.044 1.00 38.29 ? 467 HOH A O 1 HETATM 2015 O O . HOH D 4 . ? -3.861 -11.591 -6.970 1.00 41.22 ? 468 HOH A O 1 HETATM 2016 O O . HOH D 4 . ? -13.551 -14.596 -16.890 1.00 32.00 ? 469 HOH A O 1 HETATM 2017 O O . HOH D 4 . ? -11.262 10.836 -15.158 1.00 15.37 ? 470 HOH A O 1 HETATM 2018 O O . HOH D 4 . ? 5.920 9.746 -1.075 1.00 40.49 ? 471 HOH A O 1 HETATM 2019 O O . HOH D 4 . ? -0.051 23.086 -10.965 1.00 37.81 ? 472 HOH A O 1 HETATM 2020 O O . HOH D 4 . ? -22.154 2.548 5.407 1.00 40.72 ? 473 HOH A O 1 HETATM 2021 O O . HOH D 4 . ? -3.372 16.941 5.846 1.00 31.67 ? 474 HOH A O 1 HETATM 2022 O O . HOH D 4 . ? -17.106 25.561 -31.225 1.00 29.88 ? 475 HOH A O 1 HETATM 2023 O O . HOH D 4 . ? 0.430 -0.590 -20.826 1.00 24.98 ? 476 HOH A O 1 HETATM 2024 O O . HOH D 4 . ? -19.512 -4.660 -26.936 1.00 39.04 ? 477 HOH A O 1 HETATM 2025 O O . HOH D 4 . ? -21.379 15.233 -8.936 1.00 22.50 ? 478 HOH A O 1 HETATM 2026 O O . HOH D 4 . ? -21.022 17.445 -21.409 1.00 20.47 ? 479 HOH A O 1 HETATM 2027 O O . HOH D 4 . ? -11.053 -13.034 -20.087 1.00 32.89 ? 480 HOH A O 1 HETATM 2028 O O . HOH D 4 . ? -16.981 7.220 4.659 1.00 41.80 ? 481 HOH A O 1 HETATM 2029 O O . HOH D 4 . ? -4.049 20.620 -32.650 1.00 39.30 ? 482 HOH A O 1 HETATM 2030 O O . HOH D 4 . ? -21.858 12.804 6.080 1.00 30.28 ? 483 HOH A O 1 HETATM 2031 O O . HOH D 4 . ? -25.589 -1.757 -17.294 1.00 34.07 ? 484 HOH A O 1 HETATM 2032 O O . HOH D 4 . ? -13.045 4.700 -13.847 1.00 12.58 ? 485 HOH A O 1 HETATM 2033 O O . HOH D 4 . ? -30.452 7.218 -16.193 1.00 29.43 ? 486 HOH A O 1 HETATM 2034 O O . HOH D 4 . ? -9.529 -12.693 -14.954 1.00 40.48 ? 487 HOH A O 1 HETATM 2035 O O . HOH D 4 . ? -19.310 19.494 0.543 1.00 24.50 ? 488 HOH A O 1 HETATM 2036 O O . HOH D 4 . ? -11.201 -1.377 -29.535 1.00 42.16 ? 489 HOH A O 1 HETATM 2037 O O . HOH D 4 . ? -15.910 0.542 4.197 1.00 27.03 ? 490 HOH A O 1 HETATM 2038 O O . HOH D 4 . ? -15.769 4.228 -34.195 1.00 38.10 ? 491 HOH A O 1 HETATM 2039 O O . HOH D 4 . ? -21.766 2.490 -27.938 1.00 33.13 ? 492 HOH A O 1 HETATM 2040 O O . HOH D 4 . ? 3.522 11.160 -3.072 1.00 47.25 ? 493 HOH A O 1 HETATM 2041 O O . HOH D 4 . ? -17.304 22.108 -7.104 1.00 20.54 ? 494 HOH A O 1 HETATM 2042 O O . HOH D 4 . ? -10.315 -10.449 -20.147 1.00 26.89 ? 495 HOH A O 1 HETATM 2043 O O . HOH D 4 . ? 3.344 15.497 -9.308 1.00 24.13 ? 496 HOH A O 1 HETATM 2044 O O . HOH D 4 . ? -13.685 9.831 -39.808 1.00 35.05 ? 497 HOH A O 1 HETATM 2045 O O . HOH D 4 . ? -11.912 -12.808 -9.257 1.00 41.04 ? 498 HOH A O 1 HETATM 2046 O O . HOH D 4 . ? -28.243 16.150 -16.594 1.00 29.78 ? 499 HOH A O 1 HETATM 2047 O O . HOH D 4 . ? -24.349 10.178 -3.899 1.00 43.08 ? 500 HOH A O 1 HETATM 2048 O O . HOH D 4 . ? -20.660 -16.499 -10.660 1.00 42.32 ? 501 HOH A O 1 HETATM 2049 O O B HOH D 4 . ? -0.327 21.583 -22.042 0.50 27.27 ? 502 HOH A O 1 HETATM 2050 O O . HOH D 4 . ? -18.861 24.263 -9.395 1.00 31.60 ? 503 HOH A O 1 HETATM 2051 O O . HOH D 4 . ? -7.876 -3.589 2.667 1.00 33.51 ? 504 HOH A O 1 HETATM 2052 O O . HOH D 4 . ? 1.217 9.477 -21.011 1.00 30.83 ? 505 HOH A O 1 HETATM 2053 O O . HOH D 4 . ? -5.341 17.440 -26.753 1.00 21.68 ? 506 HOH A O 1 HETATM 2054 O O . HOH D 4 . ? -9.701 7.327 2.774 1.00 40.88 ? 507 HOH A O 1 HETATM 2055 O O . HOH D 4 . ? 6.632 6.328 0.585 1.00 40.68 ? 508 HOH A O 1 HETATM 2056 O O . HOH D 4 . ? 5.122 15.983 -18.863 1.00 30.46 ? 509 HOH A O 1 HETATM 2057 O O . HOH D 4 . ? -8.474 24.987 -10.238 1.00 42.76 ? 510 HOH A O 1 HETATM 2058 O O . HOH D 4 . ? -3.795 -8.016 -21.757 1.00 27.10 ? 511 HOH A O 1 HETATM 2059 O O . HOH D 4 . ? -25.572 13.251 -19.773 1.00 25.54 ? 512 HOH A O 1 HETATM 2060 O O . HOH D 4 . ? -20.979 21.232 -11.443 1.00 41.99 ? 513 HOH A O 1 HETATM 2061 O O . HOH D 4 . ? -2.687 -5.127 0.485 1.00 41.33 ? 514 HOH A O 1 HETATM 2062 O O . HOH D 4 . ? -30.579 -1.939 -26.228 1.00 58.04 ? 515 HOH A O 1 HETATM 2063 O O . HOH D 4 . ? -5.100 -10.254 -18.719 1.00 41.94 ? 516 HOH A O 1 HETATM 2064 O O . HOH D 4 . ? -31.178 13.740 -18.805 1.00 31.23 ? 517 HOH A O 1 HETATM 2065 O O . HOH D 4 . ? -30.374 14.786 -15.183 1.00 23.85 ? 518 HOH A O 1 HETATM 2066 O O . HOH D 4 . ? -6.822 11.409 -11.012 1.00 11.99 ? 519 HOH A O 1 HETATM 2067 O O . HOH D 4 . ? -2.414 7.978 -21.539 1.00 26.13 ? 520 HOH A O 1 HETATM 2068 O O . HOH D 4 . ? -34.876 10.093 -21.295 1.00 39.55 ? 521 HOH A O 1 HETATM 2069 O O . HOH D 4 . ? -0.358 12.542 0.345 1.00 27.65 ? 522 HOH A O 1 HETATM 2070 O O . HOH D 4 . ? -9.016 10.595 -12.520 1.00 12.41 ? 523 HOH A O 1 HETATM 2071 O O . HOH D 4 . ? -19.009 15.421 -32.992 1.00 30.53 ? 524 HOH A O 1 HETATM 2072 O O . HOH D 4 . ? 1.819 13.275 -24.104 1.00 36.76 ? 525 HOH A O 1 HETATM 2073 O O . HOH D 4 . ? -16.498 30.029 -32.693 1.00 50.70 ? 526 HOH A O 1 HETATM 2074 O O . HOH D 4 . ? 3.584 22.514 -20.145 1.00 26.57 ? 527 HOH A O 1 HETATM 2075 O O . HOH D 4 . ? -6.100 -11.497 -12.413 1.00 35.65 ? 528 HOH A O 1 HETATM 2076 O O . HOH D 4 . ? -5.329 -9.738 -15.386 1.00 31.67 ? 529 HOH A O 1 HETATM 2077 O O . HOH D 4 . ? -5.134 20.873 1.472 1.00 35.97 ? 530 HOH A O 1 HETATM 2078 O O . HOH D 4 . ? -15.032 13.957 -1.016 1.00 25.92 ? 531 HOH A O 1 HETATM 2079 O O . HOH D 4 . ? -15.676 15.072 -4.567 1.00 17.44 ? 532 HOH A O 1 HETATM 2080 O O . HOH D 4 . ? -2.654 8.586 -14.330 1.00 17.02 ? 533 HOH A O 1 HETATM 2081 O O A HOH D 4 . ? -2.469 21.800 -21.796 0.50 23.02 ? 534 HOH A O 1 HETATM 2082 O O . HOH D 4 . ? -13.805 11.074 -4.045 1.00 38.97 ? 535 HOH A O 1 HETATM 2083 O O . HOH D 4 . ? -27.967 11.423 -8.715 1.00 35.34 ? 536 HOH A O 1 HETATM 2084 O O . HOH D 4 . ? -16.351 22.860 -16.494 1.00 21.79 ? 537 HOH A O 1 HETATM 2085 O O . HOH D 4 . ? -11.592 26.156 -8.760 1.00 26.06 ? 538 HOH A O 1 HETATM 2086 O O . HOH D 4 . ? -10.205 4.969 1.552 1.00 29.52 ? 539 HOH A O 1 HETATM 2087 O O . HOH D 4 . ? -32.514 17.377 -14.822 1.00 41.27 ? 540 HOH A O 1 HETATM 2088 O O . HOH D 4 . ? -14.820 -7.684 -24.243 1.00 24.48 ? 541 HOH A O 1 HETATM 2089 O O . HOH D 4 . ? -5.384 24.461 -16.716 1.00 34.13 ? 542 HOH A O 1 HETATM 2090 O O . HOH D 4 . ? -11.285 9.552 -3.263 1.00 20.08 ? 543 HOH A O 1 HETATM 2091 O O . HOH D 4 . ? 5.940 14.924 -16.349 1.00 32.71 ? 544 HOH A O 1 HETATM 2092 O O . HOH D 4 . ? -8.953 -10.883 -17.877 1.00 34.20 ? 545 HOH A O 1 HETATM 2093 O O . HOH D 4 . ? -5.522 21.810 -6.044 1.00 26.39 ? 546 HOH A O 1 HETATM 2094 O O . HOH D 4 . ? -10.491 21.402 1.157 1.00 44.09 ? 547 HOH A O 1 HETATM 2095 O O . HOH D 4 . ? -24.308 -0.609 -12.460 1.00 25.54 ? 548 HOH A O 1 HETATM 2096 O O . HOH D 4 . ? -3.067 10.666 -35.525 1.00 28.78 ? 549 HOH A O 1 HETATM 2097 O O . HOH D 4 . ? -15.002 0.216 9.014 1.00 36.66 ? 550 HOH A O 1 HETATM 2098 O O . HOH D 4 . ? -0.455 2.486 -23.579 1.00 31.66 ? 551 HOH A O 1 HETATM 2099 O O . HOH D 4 . ? -22.994 -0.288 1.976 1.00 27.65 ? 552 HOH A O 1 HETATM 2100 O O . HOH D 4 . ? -7.367 18.676 -36.906 1.00 41.74 ? 553 HOH A O 1 HETATM 2101 O O . HOH D 4 . ? -14.389 2.747 4.413 1.00 41.99 ? 554 HOH A O 1 HETATM 2102 O O . HOH D 4 . ? 1.179 11.456 -4.720 1.00 27.78 ? 555 HOH A O 1 HETATM 2103 O O . HOH D 4 . ? -16.908 24.668 -34.279 1.00 36.74 ? 556 HOH A O 1 HETATM 2104 O O . HOH D 4 . ? -0.646 19.727 -24.887 1.00 31.54 ? 557 HOH A O 1 HETATM 2105 O O . HOH D 4 . ? -20.958 -5.948 -23.326 1.00 31.22 ? 558 HOH A O 1 HETATM 2106 O O . HOH D 4 . ? -22.279 -2.473 -30.040 1.00 51.22 ? 559 HOH A O 1 HETATM 2107 O O . HOH D 4 . ? -7.323 -1.442 5.246 1.00 37.89 ? 560 HOH A O 1 HETATM 2108 O O . HOH D 4 . ? -6.372 14.954 -25.951 1.00 21.98 ? 561 HOH A O 1 HETATM 2109 O O . HOH D 4 . ? -13.272 -11.718 -1.794 1.00 38.17 ? 562 HOH A O 1 HETATM 2110 O O . HOH D 4 . ? -6.760 19.169 3.106 1.00 45.89 ? 563 HOH A O 1 HETATM 2111 O O . HOH D 4 . ? -14.185 19.542 5.065 1.00 48.59 ? 564 HOH A O 1 HETATM 2112 O O . HOH D 4 . ? -15.356 20.844 0.349 1.00 27.54 ? 565 HOH A O 1 HETATM 2113 O O . HOH D 4 . ? -12.748 25.534 -23.380 1.00 49.80 ? 566 HOH A O 1 HETATM 2114 O O . HOH D 4 . ? -3.626 -9.842 -9.415 1.00 27.01 ? 567 HOH A O 1 HETATM 2115 O O . HOH D 4 . ? -4.257 24.187 -29.329 1.00 36.53 ? 568 HOH A O 1 HETATM 2116 O O . HOH D 4 . ? -26.618 9.056 -9.347 1.00 19.23 ? 569 HOH A O 1 HETATM 2117 O O . HOH D 4 . ? -32.633 3.047 -27.252 1.00 50.77 ? 570 HOH A O 1 HETATM 2118 O O . HOH D 4 . ? -4.735 13.221 -37.879 1.00 35.04 ? 571 HOH A O 1 HETATM 2119 O O . HOH D 4 . ? -19.725 -7.681 3.087 1.00 42.06 ? 572 HOH A O 1 HETATM 2120 O O . HOH D 4 . ? -20.288 8.184 -32.158 1.00 36.33 ? 573 HOH A O 1 HETATM 2121 O O . HOH D 4 . ? -8.060 23.857 -6.622 1.00 35.33 ? 574 HOH A O 1 HETATM 2122 O O . HOH D 4 . ? -27.052 0.032 -14.963 1.00 36.99 ? 575 HOH A O 1 HETATM 2123 O O . HOH D 4 . ? 6.203 -1.482 -1.342 1.00 50.06 ? 576 HOH A O 1 HETATM 2124 O O . HOH D 4 . ? -18.387 -6.874 -22.978 1.00 24.44 ? 577 HOH A O 1 HETATM 2125 O O . HOH D 4 . ? -27.882 13.548 -21.129 1.00 35.27 ? 578 HOH A O 1 HETATM 2126 O O . HOH D 4 . ? -8.711 17.008 -38.608 1.00 49.77 ? 579 HOH A O 1 HETATM 2127 O O . HOH D 4 . ? -19.900 8.620 -35.512 1.00 32.32 ? 580 HOH A O 1 HETATM 2128 O O . HOH D 4 . ? -15.043 -0.107 -34.706 1.00 29.40 ? 581 HOH A O 1 HETATM 2129 O O . HOH D 4 . ? -2.111 9.912 -23.665 1.00 22.87 ? 582 HOH A O 1 HETATM 2130 O O . HOH D 4 . ? -21.765 -5.000 -5.898 1.00 40.28 ? 583 HOH A O 1 HETATM 2131 O O . HOH D 4 . ? 0.726 12.956 -26.575 1.00 42.23 ? 584 HOH A O 1 HETATM 2132 O O . HOH D 4 . ? -21.571 13.804 -29.986 1.00 48.93 ? 585 HOH A O 1 HETATM 2133 O O . HOH D 4 . ? -7.651 -7.912 -30.166 1.00 47.69 ? 586 HOH A O 1 HETATM 2134 O O . HOH D 4 . ? -20.516 -10.191 -25.000 1.00 38.51 ? 587 HOH A O 1 HETATM 2135 O O . HOH D 4 . ? -2.805 -8.512 -13.774 1.00 55.25 ? 588 HOH A O 1 HETATM 2136 O O . HOH D 4 . ? -7.260 1.083 6.463 1.00 32.86 ? 589 HOH A O 1 HETATM 2137 O O . HOH D 4 . ? -13.124 18.008 -30.074 1.00 37.03 ? 590 HOH A O 1 HETATM 2138 O O . HOH D 4 . ? -13.698 -16.757 -7.454 1.00 56.56 ? 591 HOH A O 1 HETATM 2139 O O . HOH D 4 . ? 2.521 9.920 6.087 1.00 57.37 ? 592 HOH A O 1 HETATM 2140 O O . HOH D 4 . ? 3.958 2.064 -11.298 1.00 32.07 ? 593 HOH A O 1 HETATM 2141 O O . HOH D 4 . ? 8.105 7.064 -8.172 1.00 38.83 ? 594 HOH A O 1 HETATM 2142 O O . HOH D 4 . ? -0.869 0.909 7.195 1.00 64.06 ? 595 HOH A O 1 HETATM 2143 O O . HOH D 4 . ? -22.920 4.977 -22.898 1.00 32.80 ? 596 HOH A O 1 HETATM 2144 O O . HOH D 4 . ? -0.515 9.868 -34.965 1.00 35.97 ? 597 HOH A O 1 HETATM 2145 O O . HOH D 4 . ? -31.571 0.290 -27.646 1.00 59.95 ? 598 HOH A O 1 HETATM 2146 O O . HOH D 4 . ? -21.389 18.621 -12.078 1.00 33.06 ? 599 HOH A O 1 HETATM 2147 O O . HOH D 4 . ? -13.804 16.218 6.542 1.00 43.04 ? 600 HOH A O 1 HETATM 2148 O O . HOH D 4 . ? -20.126 -4.434 -11.410 1.00 41.46 ? 601 HOH A O 1 HETATM 2149 O O . HOH D 4 . ? -19.121 24.091 -12.484 1.00 45.20 ? 602 HOH A O 1 HETATM 2150 O O . HOH D 4 . ? -18.401 -9.779 -23.254 1.00 28.71 ? 603 HOH A O 1 HETATM 2151 O O . HOH D 4 . ? -23.573 -0.487 4.638 1.00 59.93 ? 604 HOH A O 1 HETATM 2152 O O . HOH D 4 . ? -15.769 20.683 3.239 1.00 38.43 ? 605 HOH A O 1 HETATM 2153 O O . HOH D 4 . ? -0.401 16.489 -4.528 1.00 33.67 ? 606 HOH A O 1 HETATM 2154 O O . HOH D 4 . ? -7.556 23.345 0.047 1.00 77.03 ? 607 HOH A O 1 HETATM 2155 O O . HOH D 4 . ? -15.813 18.075 6.656 1.00 40.40 ? 608 HOH A O 1 HETATM 2156 O O . HOH D 4 . ? 2.485 11.118 -0.119 1.00 38.39 ? 609 HOH A O 1 HETATM 2157 O O . HOH D 4 . ? -28.097 7.157 -8.181 1.00 30.95 ? 610 HOH A O 1 HETATM 2158 O O . HOH D 4 . ? -0.926 5.757 -21.979 1.00 44.58 ? 611 HOH A O 1 HETATM 2159 O O . HOH D 4 . ? -1.544 -9.399 -11.057 1.00 41.50 ? 612 HOH A O 1 HETATM 2160 O O . HOH D 4 . ? -6.945 -11.892 -14.988 1.00 45.95 ? 613 HOH A O 1 HETATM 2161 O O . HOH D 4 . ? -14.031 25.062 -3.831 1.00 38.07 ? 614 HOH A O 1 HETATM 2162 O O . HOH D 4 . ? 1.049 18.933 -26.885 1.00 50.00 ? 615 HOH A O 1 HETATM 2163 O O . HOH D 4 . ? 4.618 21.945 -22.659 1.00 39.09 ? 616 HOH A O 1 HETATM 2164 O O . HOH D 4 . ? 0.668 14.423 -3.142 1.00 32.21 ? 617 HOH A O 1 HETATM 2165 O O . HOH D 4 . ? -15.751 -10.187 -23.793 1.00 33.93 ? 618 HOH A O 1 HETATM 2166 O O . HOH D 4 . ? -13.009 22.320 -0.098 1.00 46.04 ? 619 HOH A O 1 HETATM 2167 O O . HOH D 4 . ? -15.746 -11.426 -26.328 1.00 32.47 ? 620 HOH A O 1 HETATM 2168 O O . HOH D 4 . ? -25.651 0.229 1.259 1.00 44.96 ? 621 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ILE 1 16 16 ILE ILE A . n A 1 2 VAL 2 17 17 VAL VAL A . n A 1 3 GLY 3 18 18 GLY GLY A . n A 1 4 GLY 4 19 19 GLY GLY A . n A 1 5 THR 5 20 20 THR THR A . n A 1 6 ALA 6 21 21 ALA ALA A . n A 1 7 SER 7 22 22 SER SER A . n A 1 8 VAL 8 23 23 VAL VAL A . n A 1 9 ARG 9 24 24 ARG ARG A . n A 1 10 GLY 10 25 25 GLY GLY A . n A 1 11 GLU 11 26 26 GLU GLU A . n A 1 12 TRP 12 27 27 TRP TRP A . n A 1 13 PRO 13 28 28 PRO PRO A . n A 1 14 TRP 14 29 29 TRP TRP A . n A 1 15 GLN 15 30 30 GLN GLN A . n A 1 16 VAL 16 31 31 VAL VAL A . n A 1 17 THR 17 32 32 THR THR A . n A 1 18 LEU 18 33 33 LEU LEU A . n A 1 19 HIS 19 34 34 HIS HIS A . n A 1 20 THR 20 35 35 THR THR A . n A 1 21 THR 21 36 36 THR THR A . n A 1 22 SER 22 36 36 SER SER A A n A 1 23 PRO 23 36 36 PRO PRO A B n A 1 24 THR 24 37 37 THR THR A . n A 1 25 GLN 25 38 38 GLN GLN A . n A 1 26 ARG 26 39 39 ARG ARG A . n A 1 27 HIS 27 40 40 HIS HIS A . n A 1 28 LEU 28 41 41 LEU LEU A . n A 1 29 CYS 29 42 42 CYS CYS A . n A 1 30 GLY 30 43 43 GLY GLY A . n A 1 31 GLY 31 44 44 GLY GLY A . n A 1 32 SER 32 45 45 SER SER A . n A 1 33 ILE 33 46 46 ILE ILE A . n A 1 34 ILE 34 47 47 ILE ILE A . n A 1 35 GLY 35 48 48 GLY GLY A . n A 1 36 ASN 36 49 49 ASN ASN A . n A 1 37 GLN 37 50 50 GLN GLN A . n A 1 38 TRP 38 51 51 TRP TRP A . n A 1 39 ILE 39 52 52 ILE ILE A . n A 1 40 LEU 40 53 53 LEU LEU A . n A 1 41 THR 41 54 54 THR THR A . n A 1 42 ALA 42 55 55 ALA ALA A . n A 1 43 ALA 43 56 56 ALA ALA A . n A 1 44 HIS 44 57 57 HIS HIS A . n A 1 45 CYS 45 58 58 CYS CYS A . n A 1 46 PHE 46 58 58 PHE PHE A A n A 1 47 TYR 47 58 58 TYR TYR A B n A 1 48 GLY 48 59 59 GLY GLY A . n A 1 49 VAL 49 60 60 VAL VAL A . n A 1 50 GLU 50 61 61 GLU GLU A . n A 1 51 SER 51 62 62 SER SER A . n A 1 52 PRO 52 63 63 PRO PRO A . n A 1 53 LYS 53 64 64 LYS LYS A . n A 1 54 ILE 54 65 65 ILE ILE A . n A 1 55 LEU 55 65 65 LEU LEU A A n A 1 56 ARG 56 65 65 ARG ARG A B n A 1 57 VAL 57 66 66 VAL VAL A . n A 1 58 TYR 58 67 67 TYR TYR A . n A 1 59 SER 59 68 68 SER SER A . n A 1 60 GLY 60 69 69 GLY GLY A . n A 1 61 ILE 61 70 70 ILE ILE A . n A 1 62 LEU 62 71 71 LEU LEU A . n A 1 63 ASN 63 72 72 ASN ASN A . n A 1 64 GLN 64 73 73 GLN GLN A . n A 1 65 SER 65 74 74 SER SER A . n A 1 66 GLU 66 75 75 GLU GLU A . n A 1 67 ILE 67 76 76 ILE ILE A . n A 1 68 LYS 68 77 77 LYS LYS A . n A 1 69 GLU 69 78 78 GLU GLU A . n A 1 70 ASP 70 79 79 ASP ASP A . n A 1 71 THR 71 80 80 THR THR A . n A 1 72 SER 72 81 81 SER SER A . n A 1 73 PHE 73 82 82 PHE PHE A . n A 1 74 PHE 74 83 83 PHE PHE A . n A 1 75 GLY 75 84 84 GLY GLY A . n A 1 76 VAL 76 85 85 VAL VAL A . n A 1 77 GLN 77 86 86 GLN GLN A . n A 1 78 GLU 78 87 87 GLU GLU A . n A 1 79 ILE 79 88 88 ILE ILE A . n A 1 80 ILE 80 89 89 ILE ILE A . n A 1 81 ILE 81 90 90 ILE ILE A . n A 1 82 HIS 82 91 91 HIS HIS A . n A 1 83 ASP 83 92 92 ASP ASP A . n A 1 84 GLN 84 93 93 GLN GLN A . n A 1 85 TYR 85 94 94 TYR TYR A . n A 1 86 LYS 86 95 95 LYS LYS A . n A 1 87 MET 87 96 96 MET MET A . n A 1 88 ALA 88 97 97 ALA ALA A . n A 1 89 GLU 89 98 98 GLU GLU A . n A 1 90 SER 90 99 99 SER SER A . n A 1 91 GLY 91 100 100 GLY GLY A . n A 1 92 TYR 92 101 101 TYR TYR A . n A 1 93 ASP 93 102 102 ASP ASP A . n A 1 94 ILE 94 103 103 ILE ILE A . n A 1 95 ALA 95 104 104 ALA ALA A . n A 1 96 LEU 96 105 105 LEU LEU A . n A 1 97 LEU 97 106 106 LEU LEU A . n A 1 98 LYS 98 107 107 LYS LYS A . n A 1 99 LEU 99 108 108 LEU LEU A . n A 1 100 GLU 100 109 109 GLU GLU A . n A 1 101 THR 101 110 110 THR THR A . n A 1 102 THR 102 111 111 THR THR A . n A 1 103 VAL 103 112 112 VAL VAL A . n A 1 104 ASN 104 113 113 ASN ASN A . n A 1 105 TYR 105 114 114 TYR TYR A . n A 1 106 THR 106 115 115 THR THR A . n A 1 107 ASP 107 116 116 ASP ASP A . n A 1 108 SER 108 117 117 SER SER A . n A 1 109 GLN 109 118 118 GLN GLN A . n A 1 110 ARG 110 119 119 ARG ARG A . n A 1 111 PRO 111 120 120 PRO PRO A . n A 1 112 ILE 112 121 121 ILE ILE A . n A 1 113 SER 113 122 122 SER SER A . n A 1 114 LEU 114 123 123 LEU LEU A . n A 1 115 PRO 115 124 124 PRO PRO A . n A 1 116 SER 116 125 125 SER SER A . n A 1 117 LYS 117 126 126 LYS LYS A . n A 1 118 GLY 118 127 127 GLY GLY A . n A 1 119 ASP 119 128 128 ASP ASP A . n A 1 120 ARG 120 129 129 ARG ARG A . n A 1 121 ASN 121 130 130 ASN ASN A . n A 1 122 VAL 122 131 131 VAL VAL A . n A 1 123 ILE 123 132 132 ILE ILE A . n A 1 124 TYR 124 133 133 TYR TYR A . n A 1 125 THR 125 134 134 THR THR A . n A 1 126 ASP 126 135 135 ASP ASP A . n A 1 127 CYS 127 136 136 CYS CYS A . n A 1 128 TRP 128 137 137 TRP TRP A . n A 1 129 VAL 129 138 138 VAL VAL A . n A 1 130 THR 130 139 139 THR THR A . n A 1 131 GLY 131 140 140 GLY GLY A . n A 1 132 TRP 132 141 141 TRP TRP A . n A 1 133 GLY 133 142 142 GLY GLY A . n A 1 134 TYR 134 143 143 TYR TYR A . n A 1 135 ARG 135 145 145 ARG ARG A . n A 1 136 LYS 136 146 146 LYS LYS A . n A 1 137 LEU 137 147 147 LEU LEU A . n A 1 138 ARG 138 148 148 ARG ARG A . n A 1 139 ASP 139 149 149 ASP ASP A . n A 1 140 LYS 140 150 150 LYS LYS A . n A 1 141 ILE 141 151 151 ILE ILE A . n A 1 142 GLN 142 152 152 GLN GLN A . n A 1 143 ASN 143 153 153 ASN ASN A . n A 1 144 THR 144 154 154 THR THR A . n A 1 145 LEU 145 155 155 LEU LEU A . n A 1 146 GLN 146 156 156 GLN GLN A . n A 1 147 LYS 147 157 157 LYS LYS A . n A 1 148 ALA 148 158 158 ALA ALA A . n A 1 149 LYS 149 159 159 LYS LYS A . n A 1 150 ILE 150 160 160 ILE ILE A . n A 1 151 PRO 151 161 161 PRO PRO A . n A 1 152 LEU 152 162 162 LEU LEU A . n A 1 153 VAL 153 163 163 VAL VAL A . n A 1 154 THR 154 164 164 THR THR A . n A 1 155 ASN 155 165 165 ASN ASN A . n A 1 156 GLU 156 166 166 GLU GLU A . n A 1 157 GLU 157 167 167 GLU GLU A . n A 1 158 CYS 158 168 168 CYS CYS A . n A 1 159 GLN 159 168 168 GLN GLN A A n A 1 160 LYS 160 169 169 LYS LYS A . n A 1 161 ARG 161 170 170 ARG ARG A . n A 1 162 TYR 162 171 171 TYR TYR A . n A 1 163 ARG 163 172 172 ARG ARG A . n A 1 164 GLY 164 173 173 GLY GLY A . n A 1 165 HIS 165 174 174 HIS HIS A . n A 1 166 LYS 166 175 175 LYS LYS A . n A 1 167 ILE 167 176 176 ILE ILE A . n A 1 168 THR 168 177 177 THR THR A . n A 1 169 HIS 169 178 178 HIS HIS A . n A 1 170 LYS 170 179 179 LYS LYS A . n A 1 171 MET 171 180 180 MET MET A . n A 1 172 ILE 172 181 181 ILE ILE A . n A 1 173 CYS 173 182 182 CYS CYS A . n A 1 174 ALA 174 183 183 ALA ALA A . n A 1 175 GLY 175 184 184 GLY GLY A . n A 1 176 TYR 176 184 184 TYR TYR A A n A 1 177 ARG 177 184 184 ARG ARG A B n A 1 178 GLU 178 185 185 GLU GLU A . n A 1 179 GLY 179 186 186 GLY GLY A . n A 1 180 GLY 180 187 187 GLY GLY A . n A 1 181 LYS 181 188 188 LYS LYS A . n A 1 182 ASP 182 189 189 ASP ASP A . n A 1 183 ALA 183 190 190 ALA ALA A . n A 1 184 CYS 184 191 191 CYS CYS A . n A 1 185 LYS 185 192 192 LYS LYS A . n A 1 186 GLY 186 193 193 GLY GLY A . n A 1 187 ASP 187 194 194 ASP ASP A . n A 1 188 SER 188 195 195 SER SER A . n A 1 189 GLY 189 196 196 GLY GLY A . n A 1 190 GLY 190 197 197 GLY GLY A . n A 1 191 PRO 191 198 198 PRO PRO A . n A 1 192 LEU 192 199 199 LEU LEU A . n A 1 193 SER 193 200 200 SER SER A . n A 1 194 CYS 194 201 201 CYS CYS A . n A 1 195 LYS 195 202 202 LYS LYS A . n A 1 196 HIS 196 203 203 HIS HIS A . n A 1 197 ASN 197 204 204 ASN ASN A . n A 1 198 GLU 198 205 205 GLU GLU A . n A 1 199 VAL 199 206 206 VAL VAL A . n A 1 200 TRP 200 207 207 TRP TRP A . n A 1 201 HIS 201 208 208 HIS HIS A . n A 1 202 LEU 202 209 209 LEU LEU A . n A 1 203 VAL 203 210 210 VAL VAL A . n A 1 204 GLY 204 211 211 GLY GLY A . n A 1 205 ILE 205 212 212 ILE ILE A . n A 1 206 THR 206 213 213 THR THR A . n A 1 207 SER 207 214 214 SER SER A . n A 1 208 TRP 208 215 215 TRP TRP A . n A 1 209 GLY 209 216 216 GLY GLY A . n A 1 210 GLU 210 217 217 GLU GLU A . n A 1 211 GLY 211 218 218 GLY GLY A . n A 1 212 CYS 212 219 219 CYS CYS A . n A 1 213 ALA 213 220 220 ALA ALA A . n A 1 214 GLN 214 221 221 GLN GLN A . n A 1 215 ARG 215 222 222 ARG ARG A . n A 1 216 GLU 216 223 223 GLU GLU A . n A 1 217 ARG 217 224 224 ARG ARG A . n A 1 218 PRO 218 225 225 PRO PRO A . n A 1 219 GLY 219 226 226 GLY GLY A . n A 1 220 VAL 220 227 227 VAL VAL A . n A 1 221 TYR 221 228 228 TYR TYR A . n A 1 222 THR 222 229 229 THR THR A . n A 1 223 ASN 223 230 230 ASN ASN A . n A 1 224 VAL 224 231 231 VAL VAL A . n A 1 225 VAL 225 232 232 VAL VAL A . n A 1 226 GLU 226 233 233 GLU GLU A . n A 1 227 TYR 227 234 234 TYR TYR A . n A 1 228 VAL 228 235 235 VAL VAL A . n A 1 229 ASP 229 236 236 ASP ASP A . n A 1 230 TRP 230 237 237 TRP TRP A . n A 1 231 ILE 231 238 238 ILE ILE A . n A 1 232 LEU 232 239 239 LEU LEU A . n A 1 233 GLU 233 240 240 GLU GLU A . n A 1 234 LYS 234 241 241 LYS LYS A . n A 1 235 THR 235 242 242 THR THR A . n A 1 236 GLN 236 243 243 GLN GLN A . n A 1 237 ALA 237 244 244 ALA ALA A . n A 1 238 VAL 238 245 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 301 301 NAG NAG A . C 3 5SU 1 302 1 5SU LG1 A . D 4 HOH 1 401 212 HOH HOH A . D 4 HOH 2 402 213 HOH HOH A . D 4 HOH 3 403 214 HOH HOH A . D 4 HOH 4 404 105 HOH HOH A . D 4 HOH 5 405 22 HOH HOH A . D 4 HOH 6 406 75 HOH HOH A . D 4 HOH 7 407 178 HOH HOH A . D 4 HOH 8 408 12 HOH HOH A . D 4 HOH 9 409 123 HOH HOH A . D 4 HOH 10 410 18 HOH HOH A . D 4 HOH 11 411 60 HOH HOH A . D 4 HOH 12 412 127 HOH HOH A . D 4 HOH 13 413 215 HOH HOH A . D 4 HOH 14 414 216 HOH HOH A . D 4 HOH 15 415 43 HOH HOH A . D 4 HOH 16 416 63 HOH HOH A . D 4 HOH 17 417 31 HOH HOH A . D 4 HOH 18 418 115 HOH HOH A . D 4 HOH 19 419 33 HOH HOH A . D 4 HOH 20 420 16 HOH HOH A . D 4 HOH 21 421 49 HOH HOH A . D 4 HOH 22 422 23 HOH HOH A . D 4 HOH 23 423 14 HOH HOH A . D 4 HOH 24 424 104 HOH HOH A . D 4 HOH 25 425 124 HOH HOH A . D 4 HOH 26 426 34 HOH HOH A . D 4 HOH 27 427 179 HOH HOH A . D 4 HOH 28 428 88 HOH HOH A . D 4 HOH 29 429 95 HOH HOH A . D 4 HOH 30 430 13 HOH HOH A . D 4 HOH 31 431 100 HOH HOH A . D 4 HOH 32 432 143 HOH HOH A . D 4 HOH 33 433 92 HOH HOH A . D 4 HOH 34 434 162 HOH HOH A . D 4 HOH 35 435 37 HOH HOH A . D 4 HOH 36 436 188 HOH HOH A . D 4 HOH 37 437 68 HOH HOH A . D 4 HOH 38 438 204 HOH HOH A . D 4 HOH 39 439 134 HOH HOH A . D 4 HOH 40 440 110 HOH HOH A . D 4 HOH 41 441 197 HOH HOH A . D 4 HOH 42 442 38 HOH HOH A . D 4 HOH 43 443 84 HOH HOH A . D 4 HOH 44 444 186 HOH HOH A . D 4 HOH 45 445 20 HOH HOH A . D 4 HOH 46 446 210 HOH HOH A . D 4 HOH 47 447 196 HOH HOH A . D 4 HOH 48 448 57 HOH HOH A . D 4 HOH 49 449 220 HOH HOH A . D 4 HOH 50 450 17 HOH HOH A . D 4 HOH 51 451 55 HOH HOH A . D 4 HOH 52 452 113 HOH HOH A . D 4 HOH 53 453 45 HOH HOH A . D 4 HOH 54 454 78 HOH HOH A . D 4 HOH 55 455 87 HOH HOH A . D 4 HOH 56 456 15 HOH HOH A . D 4 HOH 57 457 25 HOH HOH A . D 4 HOH 58 458 158 HOH HOH A . D 4 HOH 59 459 147 HOH HOH A . D 4 HOH 60 460 93 HOH HOH A . D 4 HOH 61 461 189 HOH HOH A . D 4 HOH 62 462 62 HOH HOH A . D 4 HOH 63 463 136 HOH HOH A . D 4 HOH 64 464 170 HOH HOH A . D 4 HOH 65 465 101 HOH HOH A . D 4 HOH 66 466 35 HOH HOH A . D 4 HOH 67 467 183 HOH HOH A . D 4 HOH 68 468 150 HOH HOH A . D 4 HOH 69 469 46 HOH HOH A . D 4 HOH 70 470 10 HOH HOH A . D 4 HOH 71 471 198 HOH HOH A . D 4 HOH 72 472 219 HOH HOH A . D 4 HOH 73 473 149 HOH HOH A . D 4 HOH 74 474 77 HOH HOH A . D 4 HOH 75 475 81 HOH HOH A . D 4 HOH 76 476 30 HOH HOH A . D 4 HOH 77 477 217 HOH HOH A . D 4 HOH 78 478 42 HOH HOH A . D 4 HOH 79 479 29 HOH HOH A . D 4 HOH 80 480 141 HOH HOH A . D 4 HOH 81 481 194 HOH HOH A . D 4 HOH 82 482 155 HOH HOH A . D 4 HOH 83 483 61 HOH HOH A . D 4 HOH 84 484 114 HOH HOH A . D 4 HOH 85 485 11 HOH HOH A . D 4 HOH 86 486 69 HOH HOH A . D 4 HOH 87 487 185 HOH HOH A . D 4 HOH 88 488 44 HOH HOH A . D 4 HOH 89 489 148 HOH HOH A . D 4 HOH 90 490 51 HOH HOH A . D 4 HOH 91 491 144 HOH HOH A . D 4 HOH 92 492 130 HOH HOH A . D 4 HOH 93 493 181 HOH HOH A . D 4 HOH 94 494 27 HOH HOH A . D 4 HOH 95 495 58 HOH HOH A . D 4 HOH 96 496 7 HOH HOH A . D 4 HOH 97 497 80 HOH HOH A . D 4 HOH 98 498 116 HOH HOH A . D 4 HOH 99 499 90 HOH HOH A . D 4 HOH 100 500 119 HOH HOH A . D 4 HOH 101 501 156 HOH HOH A . D 4 HOH 102 502 118 HOH HOH A . D 4 HOH 103 503 94 HOH HOH A . D 4 HOH 104 504 132 HOH HOH A . D 4 HOH 105 505 2 HOH HOH A . D 4 HOH 106 506 40 HOH HOH A . D 4 HOH 107 507 135 HOH HOH A . D 4 HOH 108 508 83 HOH HOH A . D 4 HOH 109 509 74 HOH HOH A . D 4 HOH 110 510 182 HOH HOH A . D 4 HOH 111 511 52 HOH HOH A . D 4 HOH 112 512 64 HOH HOH A . D 4 HOH 113 513 206 HOH HOH A . D 4 HOH 114 514 174 HOH HOH A . D 4 HOH 115 515 168 HOH HOH A . D 4 HOH 116 516 203 HOH HOH A . D 4 HOH 117 517 54 HOH HOH A . D 4 HOH 118 518 41 HOH HOH A . D 4 HOH 119 519 19 HOH HOH A . D 4 HOH 120 520 3 HOH HOH A . D 4 HOH 121 521 120 HOH HOH A . D 4 HOH 122 522 85 HOH HOH A . D 4 HOH 123 523 21 HOH HOH A . D 4 HOH 124 524 67 HOH HOH A . D 4 HOH 125 525 5 HOH HOH A . D 4 HOH 126 526 97 HOH HOH A . D 4 HOH 127 527 53 HOH HOH A . D 4 HOH 128 528 98 HOH HOH A . D 4 HOH 129 529 108 HOH HOH A . D 4 HOH 130 530 138 HOH HOH A . D 4 HOH 131 531 48 HOH HOH A . D 4 HOH 132 532 26 HOH HOH A . D 4 HOH 133 533 1 HOH HOH A . D 4 HOH 134 534 117 HOH HOH A . D 4 HOH 135 535 218 HOH HOH A . D 4 HOH 136 536 161 HOH HOH A . D 4 HOH 137 537 32 HOH HOH A . D 4 HOH 138 538 50 HOH HOH A . D 4 HOH 139 539 59 HOH HOH A . D 4 HOH 140 540 165 HOH HOH A . D 4 HOH 141 541 76 HOH HOH A . D 4 HOH 142 542 71 HOH HOH A . D 4 HOH 143 543 24 HOH HOH A . D 4 HOH 144 544 146 HOH HOH A . D 4 HOH 145 545 180 HOH HOH A . D 4 HOH 146 546 47 HOH HOH A . D 4 HOH 147 547 177 HOH HOH A . D 4 HOH 148 548 56 HOH HOH A . D 4 HOH 149 549 73 HOH HOH A . D 4 HOH 150 550 122 HOH HOH A . D 4 HOH 151 551 142 HOH HOH A . D 4 HOH 152 552 36 HOH HOH A . D 4 HOH 153 553 99 HOH HOH A . D 4 HOH 154 554 221 HOH HOH A . D 4 HOH 155 555 8 HOH HOH A . D 4 HOH 156 556 154 HOH HOH A . D 4 HOH 157 557 72 HOH HOH A . D 4 HOH 158 558 106 HOH HOH A . D 4 HOH 159 559 195 HOH HOH A . D 4 HOH 160 560 102 HOH HOH A . D 4 HOH 161 561 39 HOH HOH A . D 4 HOH 162 562 82 HOH HOH A . D 4 HOH 163 563 192 HOH HOH A . D 4 HOH 164 564 164 HOH HOH A . D 4 HOH 165 565 91 HOH HOH A . D 4 HOH 166 566 193 HOH HOH A . D 4 HOH 167 567 66 HOH HOH A . D 4 HOH 168 568 131 HOH HOH A . D 4 HOH 169 569 28 HOH HOH A . D 4 HOH 170 570 201 HOH HOH A . D 4 HOH 171 571 107 HOH HOH A . D 4 HOH 172 572 175 HOH HOH A . D 4 HOH 173 573 121 HOH HOH A . D 4 HOH 174 574 133 HOH HOH A . D 4 HOH 175 575 112 HOH HOH A . D 4 HOH 176 576 209 HOH HOH A . D 4 HOH 177 577 65 HOH HOH A . D 4 HOH 178 578 111 HOH HOH A . D 4 HOH 179 579 109 HOH HOH A . D 4 HOH 180 580 79 HOH HOH A . D 4 HOH 181 581 70 HOH HOH A . D 4 HOH 182 582 4 HOH HOH A . D 4 HOH 183 583 86 HOH HOH A . D 4 HOH 184 584 6 HOH HOH A . D 4 HOH 185 585 167 HOH HOH A . D 4 HOH 186 586 199 HOH HOH A . D 4 HOH 187 587 129 HOH HOH A . D 4 HOH 188 588 163 HOH HOH A . D 4 HOH 189 589 157 HOH HOH A . D 4 HOH 190 590 137 HOH HOH A . D 4 HOH 191 591 211 HOH HOH A . D 4 HOH 192 592 205 HOH HOH A . D 4 HOH 193 593 160 HOH HOH A . D 4 HOH 194 594 191 HOH HOH A . D 4 HOH 195 595 200 HOH HOH A . D 4 HOH 196 596 96 HOH HOH A . D 4 HOH 197 597 139 HOH HOH A . D 4 HOH 198 598 208 HOH HOH A . D 4 HOH 199 599 103 HOH HOH A . D 4 HOH 200 600 187 HOH HOH A . D 4 HOH 201 601 89 HOH HOH A . D 4 HOH 202 602 171 HOH HOH A . D 4 HOH 203 603 125 HOH HOH A . D 4 HOH 204 604 151 HOH HOH A . D 4 HOH 205 605 172 HOH HOH A . D 4 HOH 206 606 140 HOH HOH A . D 4 HOH 207 607 207 HOH HOH A . D 4 HOH 208 608 145 HOH HOH A . D 4 HOH 209 609 159 HOH HOH A . D 4 HOH 210 610 126 HOH HOH A . D 4 HOH 211 611 9 HOH HOH A . D 4 HOH 212 612 190 HOH HOH A . D 4 HOH 213 613 169 HOH HOH A . D 4 HOH 214 614 153 HOH HOH A . D 4 HOH 215 615 166 HOH HOH A . D 4 HOH 216 616 173 HOH HOH A . D 4 HOH 217 617 128 HOH HOH A . D 4 HOH 218 618 184 HOH HOH A . D 4 HOH 219 619 152 HOH HOH A . D 4 HOH 220 620 176 HOH HOH A . D 4 HOH 221 621 202 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2016-04-13 2 'Structure model' 1 1 2016-04-27 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? BUSTER-TNT ? ? ? 'BUSTER 2.11.6' 1 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 2 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 3 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 4 ? phasing ? ? ? ? ? ? ? ? ? ? ? AMoRE ? ? ? . 5 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 GLN A 50 ? ? -140.40 29.47 2 1 LYS A 95 ? ? -126.89 -52.33 3 1 ASP A 128 ? ? -97.80 43.64 4 1 ASP A 149 ? ? -154.31 -150.16 5 1 SER A 214 ? ? -122.29 -65.58 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A GLU 61 ? CG ? A GLU 50 CG 2 1 Y 1 A GLU 61 ? CD ? A GLU 50 CD 3 1 Y 1 A GLU 61 ? OE1 ? A GLU 50 OE1 4 1 Y 1 A GLU 61 ? OE2 ? A GLU 50 OE2 5 1 Y 1 A LYS 64 ? CE ? A LYS 53 CE 6 1 Y 1 A LYS 64 ? NZ ? A LYS 53 NZ 7 1 Y 1 A GLU 78 ? CG ? A GLU 69 CG 8 1 Y 1 A GLU 78 ? CD ? A GLU 69 CD 9 1 Y 1 A GLU 78 ? OE1 ? A GLU 69 OE1 10 1 Y 1 A GLU 78 ? OE2 ? A GLU 69 OE2 11 1 Y 1 A ASP 79 ? CG ? A ASP 70 CG 12 1 Y 1 A ASP 79 ? OD1 ? A ASP 70 OD1 13 1 Y 1 A ASP 79 ? OD2 ? A ASP 70 OD2 14 1 Y 1 A LYS 126 ? CD ? A LYS 117 CD 15 1 Y 1 A LYS 126 ? CE ? A LYS 117 CE 16 1 Y 1 A LYS 126 ? NZ ? A LYS 117 NZ 17 1 Y 1 A ASP 128 ? CG ? A ASP 119 CG 18 1 Y 1 A ASP 128 ? OD1 ? A ASP 119 OD1 19 1 Y 1 A ASP 128 ? OD2 ? A ASP 119 OD2 20 1 Y 1 A ARG 129 ? CG ? A ARG 120 CG 21 1 Y 1 A ARG 129 ? CD ? A ARG 120 CD 22 1 Y 1 A ARG 129 ? NE ? A ARG 120 NE 23 1 Y 1 A ARG 129 ? CZ ? A ARG 120 CZ 24 1 Y 1 A ARG 129 ? NH1 ? A ARG 120 NH1 25 1 Y 1 A ARG 129 ? NH2 ? A ARG 120 NH2 26 1 Y 1 A ASN 130 ? CG ? A ASN 121 CG 27 1 Y 1 A ASN 130 ? OD1 ? A ASN 121 OD1 28 1 Y 1 A ASN 130 ? ND2 ? A ASN 121 ND2 29 1 Y 1 A ILE 132 ? CD1 ? A ILE 123 CD1 # _pdbx_unobs_or_zero_occ_residues.id 1 _pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 _pdbx_unobs_or_zero_occ_residues.polymer_flag Y _pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 _pdbx_unobs_or_zero_occ_residues.auth_asym_id A _pdbx_unobs_or_zero_occ_residues.auth_comp_id VAL _pdbx_unobs_or_zero_occ_residues.auth_seq_id 245 _pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? _pdbx_unobs_or_zero_occ_residues.label_asym_id A _pdbx_unobs_or_zero_occ_residues.label_comp_id VAL _pdbx_unobs_or_zero_occ_residues.label_seq_id 238 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ;methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate ; 5SU 4 water HOH #