data_4AA9 # _entry.id 4AA9 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4AA9 PDBE EBI-48910 WWPDB D_1290048910 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4AA9 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2011-11-30 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Langholm Jensen, J.' 1 ? 'Molgaard, A.' 2 ? 'Navarro Poulsen, J.C.' 3 ? 'van den Brink, J.M.' 4 ? 'Harboe, M.' 5 ? 'Simonsen, J.B.' 6 ? 'Qvist, K.B.' 7 ? 'Larsen, S.' 8 ? # _citation.id primary _citation.title 'Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties.' _citation.journal_abbrev 'Acta Crystallogr.,Sect.D' _citation.journal_volume 69 _citation.page_first 901 _citation.page_last 913 _citation.year 2013 _citation.journal_id_ASTM ABCRE6 _citation.country DK _citation.journal_id_ISSN 0907-4449 _citation.journal_id_CSD 0766 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23633601 _citation.pdbx_database_id_DOI 10.1107/S0907444913003260 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Langholm Jensen, J.' 1 primary 'Molgaard, A.' 2 primary 'Navarro Poulsen, J.C.' 3 primary 'Harboe, M.K.' 4 primary 'Simonsen, J.B.' 5 primary 'Lorentzen, A.M.' 6 primary 'Hjerno, K.' 7 primary 'van den Brink, J.M.' 8 primary 'Qvist, K.B.' 9 primary 'Larsen, S.' 10 # _cell.entry_id 4AA9 _cell.length_a 53.310 _cell.length_b 66.110 _cell.length_c 133.740 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4AA9 _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 # 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 CHYMOSIN 35370.461 1 3.4.23.4 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn 'SULFATE ION' 96.063 10 ? ? ? ? 4 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 5 water nat water 18.015 442 ? ? ? ? # _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 ;AREPLTSYLDSQYFGKIYIGTPPQEFTVVFDTGSSDLWVPSIYCKSNVCKNHHRFDPRKSSTFRNLGKPLSIHYGTGSME GFLGYDTVTVSNIVDPNQTVGLSTEQPGEVFTYSEFDGILGLAYPSLASEYSVPVFDNMMDRHLVARDLFSVYMDRNGQG SMLTLGAIDPSYYTGSLHWVPVTLQQYWQFTVDSVTINGVAVACVGGCQAILDTGTSVLFGPSSDILKIQMAIGATENRY GEFDVNCGNLRSMPTVVFEINGRDYPLSPSAYTSKDQGFCTSGFQGDNNSELWILGDVFIREYYSVFDRANNRVGLAKAI ; _entity_poly.pdbx_seq_one_letter_code_can ;AREPLTSYLDSQYFGKIYIGTPPQEFTVVFDTGSSDLWVPSIYCKSNVCKNHHRFDPRKSSTFRNLGKPLSIHYGTGSME GFLGYDTVTVSNIVDPNQTVGLSTEQPGEVFTYSEFDGILGLAYPSLASEYSVPVFDNMMDRHLVARDLFSVYMDRNGQG SMLTLGAIDPSYYTGSLHWVPVTLQQYWQFTVDSVTINGVAVACVGGCQAILDTGTSVLFGPSSDILKIQMAIGATENRY GEFDVNCGNLRSMPTVVFEINGRDYPLSPSAYTSKDQGFCTSGFQGDNNSELWILGDVFIREYYSVFDRANNRVGLAKAI ; _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 ALA n 1 2 ARG n 1 3 GLU n 1 4 PRO n 1 5 LEU n 1 6 THR n 1 7 SER n 1 8 TYR n 1 9 LEU n 1 10 ASP n 1 11 SER n 1 12 GLN n 1 13 TYR n 1 14 PHE n 1 15 GLY n 1 16 LYS n 1 17 ILE n 1 18 TYR n 1 19 ILE n 1 20 GLY n 1 21 THR n 1 22 PRO n 1 23 PRO n 1 24 GLN n 1 25 GLU n 1 26 PHE n 1 27 THR n 1 28 VAL n 1 29 VAL n 1 30 PHE n 1 31 ASP n 1 32 THR n 1 33 GLY n 1 34 SER n 1 35 SER n 1 36 ASP n 1 37 LEU n 1 38 TRP n 1 39 VAL n 1 40 PRO n 1 41 SER n 1 42 ILE n 1 43 TYR n 1 44 CYS n 1 45 LYS n 1 46 SER n 1 47 ASN n 1 48 VAL n 1 49 CYS n 1 50 LYS n 1 51 ASN n 1 52 HIS n 1 53 HIS n 1 54 ARG n 1 55 PHE n 1 56 ASP n 1 57 PRO n 1 58 ARG n 1 59 LYS n 1 60 SER n 1 61 SER n 1 62 THR n 1 63 PHE n 1 64 ARG n 1 65 ASN n 1 66 LEU n 1 67 GLY n 1 68 LYS n 1 69 PRO n 1 70 LEU n 1 71 SER n 1 72 ILE n 1 73 HIS n 1 74 TYR n 1 75 GLY n 1 76 THR n 1 77 GLY n 1 78 SER n 1 79 MET n 1 80 GLU n 1 81 GLY n 1 82 PHE n 1 83 LEU n 1 84 GLY n 1 85 TYR n 1 86 ASP n 1 87 THR n 1 88 VAL n 1 89 THR n 1 90 VAL n 1 91 SER n 1 92 ASN n 1 93 ILE n 1 94 VAL n 1 95 ASP n 1 96 PRO n 1 97 ASN n 1 98 GLN n 1 99 THR n 1 100 VAL n 1 101 GLY n 1 102 LEU n 1 103 SER n 1 104 THR n 1 105 GLU n 1 106 GLN n 1 107 PRO n 1 108 GLY n 1 109 GLU n 1 110 VAL n 1 111 PHE n 1 112 THR n 1 113 TYR n 1 114 SER n 1 115 GLU n 1 116 PHE n 1 117 ASP n 1 118 GLY n 1 119 ILE n 1 120 LEU n 1 121 GLY n 1 122 LEU n 1 123 ALA n 1 124 TYR n 1 125 PRO n 1 126 SER n 1 127 LEU n 1 128 ALA n 1 129 SER n 1 130 GLU n 1 131 TYR n 1 132 SER n 1 133 VAL n 1 134 PRO n 1 135 VAL n 1 136 PHE n 1 137 ASP n 1 138 ASN n 1 139 MET n 1 140 MET n 1 141 ASP n 1 142 ARG n 1 143 HIS n 1 144 LEU n 1 145 VAL n 1 146 ALA n 1 147 ARG n 1 148 ASP n 1 149 LEU n 1 150 PHE n 1 151 SER n 1 152 VAL n 1 153 TYR n 1 154 MET n 1 155 ASP n 1 156 ARG n 1 157 ASN n 1 158 GLY n 1 159 GLN n 1 160 GLY n 1 161 SER n 1 162 MET n 1 163 LEU n 1 164 THR n 1 165 LEU n 1 166 GLY n 1 167 ALA n 1 168 ILE n 1 169 ASP n 1 170 PRO n 1 171 SER n 1 172 TYR n 1 173 TYR n 1 174 THR n 1 175 GLY n 1 176 SER n 1 177 LEU n 1 178 HIS n 1 179 TRP n 1 180 VAL n 1 181 PRO n 1 182 VAL n 1 183 THR n 1 184 LEU n 1 185 GLN n 1 186 GLN n 1 187 TYR n 1 188 TRP n 1 189 GLN n 1 190 PHE n 1 191 THR n 1 192 VAL n 1 193 ASP n 1 194 SER n 1 195 VAL n 1 196 THR n 1 197 ILE n 1 198 ASN n 1 199 GLY n 1 200 VAL n 1 201 ALA n 1 202 VAL n 1 203 ALA n 1 204 CYS n 1 205 VAL n 1 206 GLY n 1 207 GLY n 1 208 CYS n 1 209 GLN n 1 210 ALA n 1 211 ILE n 1 212 LEU n 1 213 ASP n 1 214 THR n 1 215 GLY n 1 216 THR n 1 217 SER n 1 218 VAL n 1 219 LEU n 1 220 PHE n 1 221 GLY n 1 222 PRO n 1 223 SER n 1 224 SER n 1 225 ASP n 1 226 ILE n 1 227 LEU n 1 228 LYS n 1 229 ILE n 1 230 GLN n 1 231 MET n 1 232 ALA n 1 233 ILE n 1 234 GLY n 1 235 ALA n 1 236 THR n 1 237 GLU n 1 238 ASN n 1 239 ARG n 1 240 TYR n 1 241 GLY n 1 242 GLU n 1 243 PHE n 1 244 ASP n 1 245 VAL n 1 246 ASN n 1 247 CYS n 1 248 GLY n 1 249 ASN n 1 250 LEU n 1 251 ARG n 1 252 SER n 1 253 MET n 1 254 PRO n 1 255 THR n 1 256 VAL n 1 257 VAL n 1 258 PHE n 1 259 GLU n 1 260 ILE n 1 261 ASN n 1 262 GLY n 1 263 ARG n 1 264 ASP n 1 265 TYR n 1 266 PRO n 1 267 LEU n 1 268 SER n 1 269 PRO n 1 270 SER n 1 271 ALA n 1 272 TYR n 1 273 THR n 1 274 SER n 1 275 LYS n 1 276 ASP n 1 277 GLN n 1 278 GLY n 1 279 PHE n 1 280 CYS n 1 281 THR n 1 282 SER n 1 283 GLY n 1 284 PHE n 1 285 GLN n 1 286 GLY n 1 287 ASP n 1 288 ASN n 1 289 ASN n 1 290 SER n 1 291 GLU n 1 292 LEU n 1 293 TRP n 1 294 ILE n 1 295 LEU n 1 296 GLY n 1 297 ASP n 1 298 VAL n 1 299 PHE n 1 300 ILE n 1 301 ARG n 1 302 GLU n 1 303 TYR n 1 304 TYR n 1 305 SER n 1 306 VAL n 1 307 PHE n 1 308 ASP n 1 309 ARG n 1 310 ALA n 1 311 ASN n 1 312 ASN n 1 313 ARG n 1 314 VAL n 1 315 GLY n 1 316 LEU n 1 317 ALA n 1 318 LYS n 1 319 ALA n 1 320 ILE 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 ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name 'ARABIAN CAMEL' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _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 'CAMELUS DROMEDARIUS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9838 _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 'ASPERGILLUS NIGER' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 5061 _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 ? _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 ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q9GK11_CAMDR _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession Q9GK11 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4AA9 _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 320 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q9GK11 _struct_ref_seq.db_align_beg 62 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 381 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 4 _struct_ref_seq.pdbx_auth_seq_align_end 323 # 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 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 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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.entry_id 4AA9 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3 _exptl_crystal.density_percent_sol 58 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'RESERVOIR: 2 M (NH4)2SO4, 100 MM BIS-TRIS, PH 5.5. SAMPLE: 30 MG/ML PROTEIN IN 50 MM BIS-TRIS, PH 6.0.' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARRESEARCH MAR165' _diffrn_detector.pdbx_collection_date 2011-12-03 _diffrn_detector.details 'MULTILAYER MIRROR, CURVED TO FOCUS IN THE VERTICAL (R 400 M).' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'BENT SI (111) CRYSTAL, HORIZONTALLY FOCUSING.' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.04 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'MAX II BEAMLINE I911-2' _diffrn_source.pdbx_synchrotron_site 'MAX II' _diffrn_source.pdbx_synchrotron_beamline I911-2 _diffrn_source.pdbx_wavelength 1.04 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4AA9 _reflns.observed_criterion_sigma_I 15.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.00 _reflns.d_resolution_high 1.60 _reflns.number_obs 62765 _reflns.number_all ? _reflns.percent_possible_obs 99.0 _reflns.pdbx_Rmerge_I_obs 0.04 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 31.00 _reflns.B_iso_Wilson_estimate 19.66 _reflns.pdbx_redundancy 8.6 _reflns.pdbx_CC_half ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_Rrim_I_all ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.60 _reflns_shell.d_res_low 1.70 _reflns_shell.percent_possible_all 23.0 _reflns_shell.Rmerge_I_obs 0.14 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 6.00 _reflns_shell.pdbx_redundancy 9.6 _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_Rrim_I_all ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4AA9 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 62748 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 2.00 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 24.795 _refine.ls_d_res_high 1.600 _refine.ls_percent_reflns_obs 99.32 _refine.ls_R_factor_obs 0.1874 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1862 _refine.ls_R_factor_R_free 0.2084 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 3182 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] 2.5168 _refine.aniso_B[2][2] 1.1275 _refine.aniso_B[3][3] -3.6443 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.424 _refine.solvent_model_param_bsol 47.012 _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.95 _refine.pdbx_ls_cross_valid_method ? _refine.details ;DISORDERED LOOP 159-162 WAS MODELLED STEREOCHEMICALLY. VM CALCULATED USING A TOTAL MASS OF 40 KDA (DETERMINED USING MASS SPECTROMETRY) DUE TO TWO GLYCOSYLATIONS). ; _refine.pdbx_starting_model 'PDB ENTRY 1CMS' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.20 _refine.pdbx_overall_phase_error 18.70 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2438 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 70 _refine_hist.number_atoms_solvent 442 _refine_hist.number_atoms_total 2950 _refine_hist.d_res_high 1.600 _refine_hist.d_res_low 24.795 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.007 ? ? 2587 'X-RAY DIFFRACTION' ? f_angle_d 1.061 ? ? 3528 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 11.984 ? ? 909 'X-RAY DIFFRACTION' ? f_chiral_restr 0.075 ? ? 381 'X-RAY DIFFRACTION' ? f_plane_restr 0.005 ? ? 451 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 1.6000 1.6239 2411 0.2932 94.00 0.3237 . . 121 . . . . 'X-RAY DIFFRACTION' . 1.6239 1.6493 2573 0.2720 100.00 0.3355 . . 139 . . . . 'X-RAY DIFFRACTION' . 1.6493 1.6763 2557 0.2458 99.00 0.2855 . . 139 . . . . 'X-RAY DIFFRACTION' . 1.6763 1.7052 2552 0.2256 100.00 0.2730 . . 125 . . . . 'X-RAY DIFFRACTION' . 1.7052 1.7362 2582 0.2255 100.00 0.2462 . . 151 . . . . 'X-RAY DIFFRACTION' . 1.7362 1.7696 2571 0.2106 100.00 0.2583 . . 127 . . . . 'X-RAY DIFFRACTION' . 1.7696 1.8057 2562 0.1952 100.00 0.2154 . . 139 . . . . 'X-RAY DIFFRACTION' . 1.8057 1.8449 2638 0.1898 100.00 0.2469 . . 130 . . . . 'X-RAY DIFFRACTION' . 1.8449 1.8878 2551 0.1831 100.00 0.2057 . . 144 . . . . 'X-RAY DIFFRACTION' . 1.8878 1.9350 2562 0.1751 100.00 0.2143 . . 140 . . . . 'X-RAY DIFFRACTION' . 1.9350 1.9873 2581 0.1769 100.00 0.2134 . . 136 . . . . 'X-RAY DIFFRACTION' . 1.9873 2.0458 2568 0.1794 100.00 0.2135 . . 154 . . . . 'X-RAY DIFFRACTION' . 2.0458 2.1118 2601 0.1730 100.00 0.1914 . . 134 . . . . 'X-RAY DIFFRACTION' . 2.1118 2.1872 2600 0.1737 100.00 0.2003 . . 142 . . . . 'X-RAY DIFFRACTION' . 2.1872 2.2747 2601 0.1801 100.00 0.1977 . . 128 . . . . 'X-RAY DIFFRACTION' . 2.2747 2.3782 2603 0.1780 100.00 0.2041 . . 137 . . . . 'X-RAY DIFFRACTION' . 2.3782 2.5034 2646 0.1817 100.00 0.2081 . . 112 . . . . 'X-RAY DIFFRACTION' . 2.5034 2.6601 2638 0.1884 100.00 0.1867 . . 126 . . . . 'X-RAY DIFFRACTION' . 2.6601 2.8652 2603 0.1967 100.00 0.2501 . . 146 . . . . 'X-RAY DIFFRACTION' . 2.8652 3.1531 2643 0.1955 100.00 0.2209 . . 153 . . . . 'X-RAY DIFFRACTION' . 3.1531 3.6081 2611 0.1690 100.00 0.1927 . . 167 . . . . 'X-RAY DIFFRACTION' . 3.6081 4.5413 2659 0.1536 99.00 0.1651 . . 145 . . . . 'X-RAY DIFFRACTION' . 4.5413 24.7983 2653 0.2080 94.00 0.2070 . . 147 . . . . # _struct.entry_id 4AA9 _struct.title 'Camel chymosin at 1.6A resolution' _struct.pdbx_descriptor 'CHYMOSIN (E.C.3.4.23.4)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4AA9 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, ASPARTIC PEPTIDASE, RENNET' # 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 3 ? E N N 3 ? F N N 3 ? G N N 3 ? H N N 3 ? I N N 3 ? J N N 3 ? K N N 3 ? L N N 3 ? M N N 4 ? N N N 5 ? # 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 1 SER A 46 ? ASN A 51 ? SER A 49 ASN A 54 1 ? 6 HELX_P HELX_P2 2 ASP A 56 ? SER A 60 ? ASP A 59 SER A 63 5 ? 5 HELX_P HELX_P3 3 GLY A 108 ? TYR A 113 ? GLY A 111 TYR A 116 1 ? 6 HELX_P HELX_P4 4 TYR A 124 ? ALA A 128 ? TYR A 127 ALA A 131 5 ? 5 HELX_P HELX_P5 5 PRO A 134 ? ARG A 142 ? PRO A 137 ARG A 145 1 ? 9 HELX_P HELX_P6 6 ASP A 169 ? SER A 171 ? ASP A 172 SER A 174 5 ? 3 HELX_P HELX_P7 7 SER A 223 ? ILE A 233 ? SER A 226 ILE A 236 1 ? 11 HELX_P HELX_P8 8 ASN A 246 ? MET A 253 ? ASN A 249 MET A 256 5 ? 8 HELX_P HELX_P9 9 SER A 268 ? TYR A 272 ? SER A 271 TYR A 275 1 ? 5 HELX_P HELX_P10 10 GLY A 296 ? ARG A 301 ? GLY A 299 ARG A 304 1 ? 6 # _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 44 SG ? ? ? 1_555 A CYS 49 SG ? ? A CYS 47 A CYS 52 1_555 ? ? ? ? ? ? ? 2.057 ? disulf2 disulf ? ? A CYS 204 SG A ? ? 1_555 A CYS 208 SG ? ? A CYS 207 A CYS 211 1_555 ? ? ? ? ? ? ? 2.037 ? disulf3 disulf ? ? A CYS 204 SG B ? ? 1_555 A CYS 208 SG ? ? A CYS 207 A CYS 211 1_555 ? ? ? ? ? ? ? 2.037 ? disulf4 disulf ? ? A CYS 247 SG ? ? ? 1_555 A CYS 280 SG A ? A CYS 250 A CYS 283 1_555 ? ? ? ? ? ? ? 2.034 ? covale1 covale ? ? A ASN 97 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 100 A NAG 500 1_555 ? ? ? ? ? ? ? 1.613 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 THR 21 A . ? THR 24 A PRO 22 A ? PRO 25 A 1 -0.86 2 GLY 160 A . ? GLY 163 A SER 161 A ? SER 164 A 1 2.49 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 8 ? AB ? 5 ? AC ? 5 ? AD ? 4 ? AE ? 4 ? # 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 AA 1 2 ? anti-parallel AA 2 3 ? parallel AA 3 4 ? anti-parallel AA 4 5 ? parallel AA 5 6 ? anti-parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AB 4 5 ? anti-parallel AC 1 2 ? anti-parallel AC 2 3 ? parallel AC 3 4 ? anti-parallel AC 4 5 ? parallel AD 1 2 ? anti-parallel AD 2 3 ? anti-parallel AD 3 4 ? anti-parallel AE 1 2 ? anti-parallel AE 2 3 ? anti-parallel AE 3 4 ? 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 AA 1 PHE A 14 ? ILE A 19 ? PHE A 17 ILE A 22 AA 2 GLN A 24 ? ASP A 31 ? GLN A 27 ASP A 34 AA 3 GLY A 118 ? GLY A 121 ? GLY A 121 GLY A 124 AA 4 LEU A 37 ? PRO A 40 ? LEU A 40 PRO A 43 AA 5 ILE A 93 ? GLU A 105 ? ILE A 96 GLU A 108 AA 6 GLY A 77 ? VAL A 90 ? GLY A 80 VAL A 93 AA 7 PHE A 14 ? ILE A 19 ? PHE A 17 ILE A 22 AB 1 MET A 162 ? LEU A 165 ? MET A 165 LEU A 168 AB 2 LEU A 149 ? TYR A 153 ? LEU A 152 TYR A 156 AB 3 TYR A 303 ? ASP A 308 ? TYR A 306 ASP A 311 AB 4 ARG A 313 ? ALA A 319 ? ARG A 316 ALA A 322 AB 5 TYR A 173 ? PRO A 181 ? TYR A 176 PRO A 184 AC 1 GLN A 189 ? VAL A 192 ? GLN A 192 VAL A 195 AC 2 CYS A 208 ? LEU A 212 ? CYS A 211 LEU A 215 AC 3 TRP A 293 ? LEU A 295 ? TRP A 296 LEU A 298 AC 4 LEU A 219 ? PRO A 222 ? LEU A 222 PRO A 225 AC 5 PHE A 284 ? ASP A 287 ? PHE A 287 ASP A 290 AD 1 VAL A 200 ? ALA A 203 ? VAL A 203 ALA A 206 AD 2 SER A 194 ? ILE A 197 ? SER A 197 ILE A 200 AD 3 VAL A 256 ? ILE A 260 ? VAL A 259 ILE A 263 AD 4 ARG A 263 ? LEU A 267 ? ARG A 266 LEU A 270 AE 1 THR A 236 ? GLU A 237 ? THR A 239 GLU A 240 AE 2 PHE A 243 ? VAL A 245 ? PHE A 246 VAL A 248 AE 3 PHE A 279 ? SER A 282 ? PHE A 282 SER A 285 AE 4 THR A 273 ? ASP A 276 ? THR A 276 ASP A 279 # 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 AA 1 2 N ILE A 19 ? N ILE A 22 O GLN A 24 ? O GLN A 27 AA 2 3 N VAL A 29 ? N VAL A 32 O GLY A 118 ? O GLY A 121 AA 3 4 N ILE A 119 ? N ILE A 122 O TRP A 38 ? O TRP A 41 AA 4 5 N VAL A 39 ? N VAL A 42 O GLY A 101 ? O GLY A 104 AA 5 6 N THR A 104 ? N THR A 107 O GLU A 80 ? O GLU A 83 AB 1 2 N THR A 164 ? N THR A 167 O SER A 151 ? O SER A 154 AB 2 3 N VAL A 152 ? N VAL A 155 O SER A 305 ? O SER A 308 AB 3 4 N ASP A 308 ? N ASP A 311 O ARG A 313 ? O ARG A 316 AB 4 5 N LYS A 318 ? N LYS A 321 O THR A 174 ? O THR A 177 AC 1 2 N VAL A 192 ? N VAL A 195 O CYS A 208 ? O CYS A 211 AC 2 3 N ILE A 211 ? N ILE A 214 O TRP A 293 ? O TRP A 296 AC 3 4 N ILE A 294 ? N ILE A 297 O PHE A 220 ? O PHE A 223 AC 4 5 N GLY A 221 ? N GLY A 224 O GLN A 285 ? O GLN A 288 AD 1 2 N VAL A 202 ? N VAL A 205 O VAL A 195 ? O VAL A 198 AD 2 3 N THR A 196 ? N THR A 199 O VAL A 257 ? O VAL A 260 AD 3 4 N ILE A 260 ? N ILE A 263 O ARG A 263 ? O ARG A 266 AE 1 2 N THR A 236 ? N THR A 239 O ASP A 244 ? O ASP A 247 AE 2 3 N VAL A 245 ? N VAL A 248 O CYS A 280 ? O CYS A 283 AE 3 4 N THR A 281 ? N THR A 284 O SER A 274 ? O SER A 277 # 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 1324' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 1325' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 1326' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 1327' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1328' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 1329' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 1330' AC8 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE SO4 A 1331' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 1332' BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 1333' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL A 1334' BC3 Software ? ? ? ? 6 'BINDING SITE FOR MONO-SACCHARIDE NAG A 500 BOUND TO ASN A 100' # 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 5 ILE A 42 ? ILE A 45 . ? 1_555 ? 2 AC1 5 ARG A 54 ? ARG A 57 . ? 1_555 ? 3 AC1 5 HOH N . ? HOH A 2096 . ? 1_555 ? 4 AC1 5 HOH N . ? HOH A 2105 . ? 1_555 ? 5 AC1 5 HOH N . ? HOH A 2106 . ? 1_555 ? 6 AC2 3 LYS A 45 ? LYS A 48 . ? 1_555 ? 7 AC2 3 LYS A 50 ? LYS A 53 . ? 1_555 ? 8 AC2 3 ARG A 54 ? ARG A 57 . ? 1_555 ? 9 AC3 5 HIS A 178 ? HIS A 181 . ? 1_555 ? 10 AC3 5 TRP A 179 ? TRP A 182 . ? 1_555 ? 11 AC3 5 ARG A 263 ? ARG A 266 . ? 1_555 ? 12 AC3 5 HOH N . ? HOH A 2281 . ? 1_555 ? 13 AC3 5 HOH N . ? HOH A 2377 . ? 1_555 ? 14 AC4 5 ARG A 147 ? ARG A 150 . ? 1_555 ? 15 AC4 5 ASN A 311 ? ASN A 314 . ? 1_555 ? 16 AC4 5 HOH N . ? HOH A 2256 . ? 1_555 ? 17 AC4 5 HOH N . ? HOH A 2424 . ? 1_555 ? 18 AC4 5 HOH N . ? HOH A 2437 . ? 1_555 ? 19 AC5 4 LYS A 45 ? LYS A 48 . ? 1_555 ? 20 AC5 4 ARG A 58 ? ARG A 61 . ? 1_555 ? 21 AC5 4 HOH N . ? HOH A 2438 . ? 1_555 ? 22 AC5 4 HOH N . ? HOH A 2439 . ? 1_555 ? 23 AC6 3 THR A 174 ? THR A 177 . ? 1_555 ? 24 AC6 3 GLY A 175 ? GLY A 178 . ? 1_555 ? 25 AC6 3 HOH N . ? HOH A 2279 . ? 1_555 ? 26 AC7 5 GLY A 175 ? GLY A 178 . ? 1_555 ? 27 AC7 5 SER A 176 ? SER A 179 . ? 1_555 ? 28 AC7 5 HIS A 178 ? HIS A 181 . ? 1_555 ? 29 AC7 5 HOH N . ? HOH A 2440 . ? 1_555 ? 30 AC7 5 HOH N . ? HOH A 2441 . ? 1_555 ? 31 AC8 7 SER A 129 ? SER A 132 . ? 1_555 ? 32 AC8 7 GLU A 130 ? GLU A 133 . ? 1_555 ? 33 AC8 7 SO4 K . ? SO4 A 1332 . ? 1_555 ? 34 AC8 7 HOH N . ? HOH A 2152 . ? 1_555 ? 35 AC8 7 HOH N . ? HOH A 2220 . ? 1_555 ? 36 AC8 7 HOH N . ? HOH A 2222 . ? 1_555 ? 37 AC8 7 HOH N . ? HOH A 2225 . ? 1_555 ? 38 AC9 6 SER A 71 ? SER A 74 . ? 1_555 ? 39 AC9 6 ILE A 72 ? ILE A 75 . ? 1_555 ? 40 AC9 6 HIS A 73 ? HIS A 76 . ? 1_555 ? 41 AC9 6 SO4 J . ? SO4 A 1331 . ? 1_555 ? 42 AC9 6 HOH N . ? HOH A 2152 . ? 1_555 ? 43 AC9 6 HOH N . ? HOH A 2442 . ? 1_555 ? 44 BC1 3 ARG A 263 ? ARG A 266 . ? 1_555 ? 45 BC1 3 ASP A 264 ? ASP A 267 . ? 1_555 ? 46 BC1 3 HOH N . ? HOH A 2378 . ? 1_555 ? 47 BC2 6 TYR A 8 ? TYR A 11 . ? 1_555 ? 48 BC2 6 TYR A 187 ? TYR A 190 . ? 1_555 ? 49 BC2 6 ASP A 213 ? ASP A 216 . ? 1_555 ? 50 BC2 6 ILE A 294 ? ILE A 297 . ? 1_555 ? 51 BC2 6 HOH N . ? HOH A 2063 . ? 1_555 ? 52 BC2 6 HOH N . ? HOH A 2296 . ? 1_555 ? 53 BC3 6 GLU A 80 ? GLU A 83 . ? 4_545 ? 54 BC3 6 ASN A 97 ? ASN A 100 . ? 1_555 ? 55 BC3 6 HOH N . ? HOH A 2137 . ? 1_555 ? 56 BC3 6 HOH N . ? HOH A 2155 . ? 4_545 ? 57 BC3 6 HOH N . ? HOH A 2156 . ? 4_545 ? 58 BC3 6 HOH N . ? HOH A 2201 . ? 1_555 ? # _database_PDB_matrix.entry_id 4AA9 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4AA9 _atom_sites.fract_transf_matrix[1][1] 0.018758 _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] 0.015126 _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] 0.007477 _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 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 . TYR A 1 8 ? -4.048 -18.658 -24.448 1.00 37.38 ? 11 TYR A N 1 ATOM 2 C CA . TYR A 1 8 ? -2.744 -18.000 -24.393 1.00 30.34 ? 11 TYR A CA 1 ATOM 3 C C . TYR A 1 8 ? -1.817 -18.745 -23.447 1.00 27.37 ? 11 TYR A C 1 ATOM 4 O O . TYR A 1 8 ? -0.913 -18.157 -22.843 1.00 22.75 ? 11 TYR A O 1 ATOM 5 C CB . TYR A 1 8 ? -2.895 -16.542 -23.963 1.00 30.44 ? 11 TYR A CB 1 ATOM 6 C CG . TYR A 1 8 ? -3.799 -15.759 -24.882 1.00 34.12 ? 11 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 8 ? -3.312 -15.213 -26.062 1.00 32.11 ? 11 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 8 ? -5.145 -15.583 -24.582 1.00 43.15 ? 11 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 8 ? -4.139 -14.504 -26.916 1.00 34.46 ? 11 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 8 ? -5.980 -14.874 -25.432 1.00 49.59 ? 11 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 8 ? -5.468 -14.337 -26.598 1.00 38.44 ? 11 TYR A CZ 1 ATOM 12 O OH . TYR A 1 8 ? -6.287 -13.629 -27.450 1.00 48.86 ? 11 TYR A OH 1 ATOM 13 N N . LEU A 1 9 ? -2.044 -20.049 -23.330 1.00 25.00 ? 12 LEU A N 1 ATOM 14 C CA . LEU A 1 9 ? -1.251 -20.879 -22.431 1.00 25.18 ? 12 LEU A CA 1 ATOM 15 C C . LEU A 1 9 ? -0.796 -22.171 -23.098 1.00 26.44 ? 12 LEU A C 1 ATOM 16 O O . LEU A 1 9 ? -0.585 -23.186 -22.429 1.00 26.22 ? 12 LEU A O 1 ATOM 17 C CB . LEU A 1 9 ? -2.047 -21.185 -21.161 1.00 21.78 ? 12 LEU A CB 1 ATOM 18 C CG . LEU A 1 9 ? -2.248 -19.967 -20.259 1.00 23.68 ? 12 LEU A CG 1 ATOM 19 C CD1 . LEU A 1 9 ? -3.285 -20.243 -19.192 1.00 23.68 ? 12 LEU A CD1 1 ATOM 20 C CD2 . LEU A 1 9 ? -0.917 -19.531 -19.645 1.00 24.51 ? 12 LEU A CD2 1 ATOM 21 N N . ASP A 1 10 ? -0.626 -22.131 -24.415 1.00 25.53 ? 13 ASP A N 1 ATOM 22 C CA . ASP A 1 10 ? -0.324 -23.343 -25.162 1.00 21.27 ? 13 ASP A CA 1 ATOM 23 C C . ASP A 1 10 ? 1.140 -23.460 -25.554 1.00 28.42 ? 13 ASP A C 1 ATOM 24 O O . ASP A 1 10 ? 1.523 -24.361 -26.301 1.00 28.00 ? 13 ASP A O 1 ATOM 25 C CB . ASP A 1 10 ? -1.218 -23.443 -26.400 1.00 26.40 ? 13 ASP A CB 1 ATOM 26 C CG . ASP A 1 10 ? -0.978 -22.321 -27.394 1.00 34.23 ? 13 ASP A CG 1 ATOM 27 O OD1 . ASP A 1 10 ? -0.473 -21.246 -26.997 1.00 27.03 ? 13 ASP A OD1 1 ATOM 28 O OD2 . ASP A 1 10 ? -1.310 -22.518 -28.583 1.00 35.32 ? 13 ASP A OD2 1 ATOM 29 N N . SER A 1 11 ? 1.972 -22.560 -25.047 1.00 21.32 ? 14 SER A N 1 ATOM 30 C CA . SER A 1 11 ? 3.370 -22.631 -25.397 1.00 24.52 ? 14 SER A CA 1 ATOM 31 C C . SER A 1 11 ? 3.958 -23.837 -24.676 1.00 31.66 ? 14 SER A C 1 ATOM 32 O O . SER A 1 11 ? 3.298 -24.454 -23.842 1.00 33.94 ? 14 SER A O 1 ATOM 33 C CB . SER A 1 11 ? 4.086 -21.339 -25.010 1.00 29.04 ? 14 SER A CB 1 ATOM 34 O OG . SER A 1 11 ? 4.560 -21.393 -23.687 1.00 25.42 ? 14 SER A OG 1 ATOM 35 N N . GLN A 1 12 ? 5.188 -24.194 -25.005 1.00 31.53 ? 15 GLN A N 1 ATOM 36 C CA . GLN A 1 12 ? 5.822 -25.289 -24.292 1.00 33.57 ? 15 GLN A CA 1 ATOM 37 C C . GLN A 1 12 ? 6.909 -24.739 -23.381 1.00 31.13 ? 15 GLN A C 1 ATOM 38 O O . GLN A 1 12 ? 7.812 -25.461 -22.969 1.00 31.35 ? 15 GLN A O 1 ATOM 39 C CB . GLN A 1 12 ? 6.383 -26.318 -25.272 1.00 47.23 ? 15 GLN A CB 1 ATOM 40 C CG . GLN A 1 12 ? 5.337 -26.926 -26.207 1.00 46.88 ? 15 GLN A CG 1 ATOM 41 C CD . GLN A 1 12 ? 4.314 -27.788 -25.480 1.00 52.08 ? 15 GLN A CD 1 ATOM 42 O OE1 . GLN A 1 12 ? 4.401 -29.019 -25.493 1.00 54.99 ? 15 GLN A OE1 1 ATOM 43 N NE2 . GLN A 1 12 ? 3.334 -27.145 -24.850 1.00 45.94 ? 15 GLN A NE2 1 ATOM 44 N N . TYR A 1 13 ? 6.811 -23.450 -23.065 1.00 27.70 ? 16 TYR A N 1 ATOM 45 C CA . TYR A 1 13 ? 7.797 -22.810 -22.200 1.00 21.62 ? 16 TYR A CA 1 ATOM 46 C C . TYR A 1 13 ? 7.484 -23.140 -20.743 1.00 20.94 ? 16 TYR A C 1 ATOM 47 O O . TYR A 1 13 ? 6.956 -22.295 -20.011 1.00 20.16 ? 16 TYR A O 1 ATOM 48 C CB . TYR A 1 13 ? 7.828 -21.298 -22.442 1.00 25.11 ? 16 TYR A CB 1 ATOM 49 C CG . TYR A 1 13 ? 9.035 -20.586 -21.864 1.00 19.78 ? 16 TYR A CG 1 ATOM 50 C CD1 . TYR A 1 13 ? 10.329 -20.940 -22.242 1.00 20.40 ? 16 TYR A CD1 1 ATOM 51 C CD2 . TYR A 1 13 ? 8.880 -19.543 -20.950 1.00 14.37 ? 16 TYR A CD2 1 ATOM 52 C CE1 . TYR A 1 13 ? 11.436 -20.281 -21.715 1.00 19.02 ? 16 TYR A CE1 1 ATOM 53 C CE2 . TYR A 1 13 ? 9.969 -18.884 -20.426 1.00 18.96 ? 16 TYR A CE2 1 ATOM 54 C CZ . TYR A 1 13 ? 11.245 -19.253 -20.806 1.00 18.80 ? 16 TYR A CZ 1 ATOM 55 O OH . TYR A 1 13 ? 12.323 -18.584 -20.273 1.00 19.27 ? 16 TYR A OH 1 ATOM 56 N N . PHE A 1 14 ? 7.809 -24.381 -20.367 1.00 23.78 ? 17 PHE A N 1 ATOM 57 C CA . PHE A 1 14 ? 7.617 -24.939 -19.022 1.00 22.94 ? 17 PHE A CA 1 ATOM 58 C C . PHE A 1 14 ? 8.915 -24.964 -18.256 1.00 26.95 ? 17 PHE A C 1 ATOM 59 O O . PHE A 1 14 ? 10.006 -24.836 -18.814 1.00 33.20 ? 17 PHE A O 1 ATOM 60 C CB . PHE A 1 14 ? 7.226 -26.420 -19.078 1.00 33.07 ? 17 PHE A CB 1 ATOM 61 C CG . PHE A 1 14 ? 5.938 -26.707 -19.767 1.00 26.92 ? 17 PHE A CG 1 ATOM 62 C CD1 . PHE A 1 14 ? 4.996 -25.719 -19.967 1.00 31.84 ? 17 PHE A CD1 1 ATOM 63 C CD2 . PHE A 1 14 ? 5.665 -27.991 -20.205 1.00 38.60 ? 17 PHE A CD2 1 ATOM 64 C CE1 . PHE A 1 14 ? 3.806 -26.009 -20.606 1.00 31.30 ? 17 PHE A CE1 1 ATOM 65 C CE2 . PHE A 1 14 ? 4.481 -28.284 -20.845 1.00 41.38 ? 17 PHE A CE2 1 ATOM 66 C CZ . PHE A 1 14 ? 3.550 -27.293 -21.045 1.00 37.18 ? 17 PHE A CZ 1 ATOM 67 N N . GLY A 1 15 ? 8.793 -25.213 -16.964 1.00 20.73 ? 18 GLY A N 1 ATOM 68 C CA . GLY A 1 15 ? 9.953 -25.499 -16.150 1.00 25.36 ? 18 GLY A CA 1 ATOM 69 C C . GLY A 1 15 ? 9.490 -26.217 -14.908 1.00 21.28 ? 18 GLY A C 1 ATOM 70 O O . GLY A 1 15 ? 8.321 -26.119 -14.534 1.00 16.15 ? 18 GLY A O 1 ATOM 71 N N . LYS A 1 16 ? 10.400 -26.949 -14.280 1.00 17.28 ? 19 LYS A N 1 ATOM 72 C CA . LYS A 1 16 ? 10.136 -27.517 -12.968 1.00 15.10 ? 19 LYS A CA 1 ATOM 73 C C . LYS A 1 16 ? 10.421 -26.486 -11.890 1.00 17.13 ? 19 LYS A C 1 ATOM 74 O O . LYS A 1 16 ? 11.426 -25.780 -11.938 1.00 22.04 ? 19 LYS A O 1 ATOM 75 C CB . LYS A 1 16 ? 11.009 -28.748 -12.735 1.00 18.37 ? 19 LYS A CB 1 ATOM 76 C CG . LYS A 1 16 ? 10.644 -29.927 -13.615 1.00 24.31 ? 19 LYS A CG 1 ATOM 77 C CD . LYS A 1 16 ? 11.656 -31.049 -13.447 1.00 35.50 ? 19 LYS A CD 1 ATOM 78 C CE . LYS A 1 16 ? 11.407 -32.172 -14.439 1.00 42.78 ? 19 LYS A CE 1 ATOM 79 N NZ . LYS A 1 16 ? 12.470 -33.213 -14.352 1.00 52.25 ? 19 LYS A NZ 1 ATOM 80 N N . ILE A 1 17 ? 9.518 -26.397 -10.923 1.00 13.44 ? 20 ILE A N 1 ATOM 81 C CA . ILE A 1 17 ? 9.767 -25.633 -9.708 1.00 12.52 ? 20 ILE A CA 1 ATOM 82 C C . ILE A 1 17 ? 9.508 -26.512 -8.494 1.00 12.90 ? 20 ILE A C 1 ATOM 83 O O . ILE A 1 17 ? 8.928 -27.596 -8.601 1.00 13.98 ? 20 ILE A O 1 ATOM 84 C CB . ILE A 1 17 ? 8.890 -24.372 -9.618 1.00 12.64 ? 20 ILE A CB 1 ATOM 85 C CG1 . ILE A 1 17 ? 7.402 -24.725 -9.473 1.00 13.39 ? 20 ILE A CG1 1 ATOM 86 C CG2 . ILE A 1 17 ? 9.139 -23.452 -10.822 1.00 15.03 ? 20 ILE A CG2 1 ATOM 87 C CD1 . ILE A 1 17 ? 6.525 -23.504 -9.165 1.00 13.58 ? 20 ILE A CD1 1 ATOM 88 N N . TYR A 1 18 ? 9.970 -26.048 -7.339 1.00 13.82 ? 21 TYR A N 1 ATOM 89 C CA . TYR A 1 18 ? 9.861 -26.834 -6.120 1.00 14.30 ? 21 TYR A CA 1 ATOM 90 C C . TYR A 1 18 ? 9.287 -25.972 -5.025 1.00 15.29 ? 21 TYR A C 1 ATOM 91 O O . TYR A 1 18 ? 9.700 -24.833 -4.858 1.00 16.52 ? 21 TYR A O 1 ATOM 92 C CB . TYR A 1 18 ? 11.244 -27.385 -5.736 1.00 15.04 ? 21 TYR A CB 1 ATOM 93 C CG . TYR A 1 18 ? 11.822 -28.212 -6.857 1.00 16.75 ? 21 TYR A CG 1 ATOM 94 C CD1 . TYR A 1 18 ? 12.493 -27.603 -7.913 1.00 21.21 ? 21 TYR A CD1 1 ATOM 95 C CD2 . TYR A 1 18 ? 11.643 -29.588 -6.892 1.00 21.43 ? 21 TYR A CD2 1 ATOM 96 C CE1 . TYR A 1 18 ? 12.992 -28.352 -8.975 1.00 22.38 ? 21 TYR A CE1 1 ATOM 97 C CE2 . TYR A 1 18 ? 12.143 -30.344 -7.941 1.00 27.61 ? 21 TYR A CE2 1 ATOM 98 C CZ . TYR A 1 18 ? 12.813 -29.719 -8.977 1.00 25.01 ? 21 TYR A CZ 1 ATOM 99 O OH . TYR A 1 18 ? 13.311 -30.465 -10.026 1.00 33.65 ? 21 TYR A OH 1 ATOM 100 N N . ILE A 1 19 ? 8.303 -26.509 -4.307 1.00 12.34 ? 22 ILE A N 1 ATOM 101 C CA . ILE A 1 19 ? 7.593 -25.741 -3.301 1.00 11.79 ? 22 ILE A CA 1 ATOM 102 C C . ILE A 1 19 ? 7.546 -26.539 -2.008 1.00 12.41 ? 22 ILE A C 1 ATOM 103 O O . ILE A 1 19 ? 7.233 -27.731 -2.020 1.00 14.53 ? 22 ILE A O 1 ATOM 104 C CB . ILE A 1 19 ? 6.139 -25.464 -3.736 1.00 11.74 ? 22 ILE A CB 1 ATOM 105 C CG1 . ILE A 1 19 ? 6.111 -24.826 -5.128 1.00 12.73 ? 22 ILE A CG1 1 ATOM 106 C CG2 . ILE A 1 19 ? 5.455 -24.565 -2.714 1.00 15.17 ? 22 ILE A CG2 1 ATOM 107 C CD1 . ILE A 1 19 ? 4.696 -24.525 -5.624 1.00 15.07 ? 22 ILE A CD1 1 ATOM 108 N N . GLY A 1 20 ? 7.878 -25.878 -0.905 1.00 11.80 ? 23 GLY A N 1 ATOM 109 C CA . GLY A 1 20 ? 7.693 -26.464 0.417 1.00 13.11 ? 23 GLY A CA 1 ATOM 110 C C . GLY A 1 20 ? 8.904 -27.162 0.996 1.00 17.91 ? 23 GLY A C 1 ATOM 111 O O . GLY A 1 20 ? 9.947 -27.270 0.346 1.00 15.90 ? 23 GLY A O 1 ATOM 112 N N . THR A 1 21 ? 8.748 -27.642 2.232 1.00 16.68 ? 24 THR A N 1 ATOM 113 C CA . THR A 1 21 ? 9.827 -28.315 2.947 1.00 17.42 ? 24 THR A CA 1 ATOM 114 C C . THR A 1 21 ? 9.327 -29.632 3.545 1.00 15.92 ? 24 THR A C 1 ATOM 115 O O . THR A 1 21 ? 8.527 -29.615 4.488 1.00 18.69 ? 24 THR A O 1 ATOM 116 C CB . THR A 1 21 ? 10.333 -27.427 4.086 1.00 16.74 ? 24 THR A CB 1 ATOM 117 O OG1 . THR A 1 21 ? 10.664 -26.125 3.588 1.00 20.73 ? 24 THR A OG1 1 ATOM 118 C CG2 . THR A 1 21 ? 11.558 -28.044 4.745 1.00 22.60 ? 24 THR A CG2 1 ATOM 119 N N . PRO A 1 22 ? 9.766 -30.777 2.998 1.00 17.80 ? 25 PRO A N 1 ATOM 120 C CA . PRO A 1 22 ? 10.675 -30.929 1.859 1.00 19.41 ? 25 PRO A CA 1 ATOM 121 C C . PRO A 1 22 ? 10.003 -30.508 0.561 1.00 17.22 ? 25 PRO A C 1 ATOM 122 O O . PRO A 1 22 ? 8.783 -30.359 0.523 1.00 19.10 ? 25 PRO A O 1 ATOM 123 C CB . PRO A 1 22 ? 10.949 -32.439 1.832 1.00 20.55 ? 25 PRO A CB 1 ATOM 124 C CG . PRO A 1 22 ? 9.752 -33.044 2.449 1.00 22.45 ? 25 PRO A CG 1 ATOM 125 C CD . PRO A 1 22 ? 9.319 -32.087 3.510 1.00 18.97 ? 25 PRO A CD 1 ATOM 126 N N . PRO A 1 23 ? 10.789 -30.340 -0.501 1.00 20.40 ? 26 PRO A N 1 ATOM 127 C CA . PRO A 1 23 ? 10.215 -29.801 -1.735 1.00 16.57 ? 26 PRO A CA 1 ATOM 128 C C . PRO A 1 23 ? 9.255 -30.746 -2.447 1.00 18.69 ? 26 PRO A C 1 ATOM 129 O O . PRO A 1 23 ? 9.490 -31.952 -2.555 1.00 19.95 ? 26 PRO A O 1 ATOM 130 C CB . PRO A 1 23 ? 11.451 -29.518 -2.599 1.00 20.10 ? 26 PRO A CB 1 ATOM 131 C CG . PRO A 1 23 ? 12.506 -30.442 -2.055 1.00 26.84 ? 26 PRO A CG 1 ATOM 132 C CD . PRO A 1 23 ? 12.251 -30.495 -0.584 1.00 22.78 ? 26 PRO A CD 1 ATOM 133 N N . GLN A 1 24 ? 8.152 -30.176 -2.922 1.00 16.47 ? 27 GLN A N 1 ATOM 134 C CA . GLN A 1 24 ? 7.235 -30.879 -3.789 1.00 14.61 ? 27 GLN A CA 1 ATOM 135 C C . GLN A 1 24 ? 7.399 -30.272 -5.180 1.00 15.76 ? 27 GLN A C 1 ATOM 136 O O . GLN A 1 24 ? 7.441 -29.056 -5.320 1.00 15.97 ? 27 GLN A O 1 ATOM 137 C CB . GLN A 1 24 ? 5.795 -30.723 -3.284 1.00 14.56 ? 27 GLN A CB 1 ATOM 138 C CG . GLN A 1 24 ? 5.566 -31.377 -1.907 1.00 15.03 ? 27 GLN A CG 1 ATOM 139 C CD . GLN A 1 24 ? 4.180 -31.131 -1.352 1.00 14.96 ? 27 GLN A CD 1 ATOM 140 O OE1 . GLN A 1 24 ? 3.182 -31.285 -2.051 1.00 17.19 ? 27 GLN A OE1 1 ATOM 141 N NE2 . GLN A 1 24 ? 4.114 -30.763 -0.077 1.00 16.28 ? 27 GLN A NE2 1 ATOM 142 N N . GLU A 1 25 ? 7.521 -31.117 -6.196 1.00 15.82 ? 28 GLU A N 1 ATOM 143 C CA . GLU A 1 25 ? 7.827 -30.657 -7.547 1.00 14.49 ? 28 GLU A CA 1 ATOM 144 C C . GLU A 1 25 ? 6.583 -30.402 -8.386 1.00 15.21 ? 28 GLU A C 1 ATOM 145 O O . GLU A 1 25 ? 5.605 -31.147 -8.305 1.00 15.88 ? 28 GLU A O 1 ATOM 146 C CB . GLU A 1 25 ? 8.690 -31.699 -8.251 1.00 17.51 ? 28 GLU A CB 1 ATOM 147 C CG . GLU A 1 25 ? 9.119 -31.290 -9.643 1.00 22.19 ? 28 GLU A CG 1 ATOM 148 C CD . GLU A 1 25 ? 9.746 -32.438 -10.407 1.00 38.06 ? 28 GLU A CD 1 ATOM 149 O OE1 . GLU A 1 25 ? 10.425 -33.274 -9.769 1.00 37.90 ? 28 GLU A OE1 1 ATOM 150 O OE2 . GLU A 1 25 ? 9.548 -32.508 -11.641 1.00 45.49 ? 28 GLU A OE2 1 ATOM 151 N N . PHE A 1 26 ? 6.637 -29.344 -9.191 1.00 13.10 ? 29 PHE A N 1 ATOM 152 C CA . PHE A 1 26 ? 5.574 -29.006 -10.134 1.00 12.43 ? 29 PHE A CA 1 ATOM 153 C C . PHE A 1 26 ? 6.153 -28.546 -11.451 1.00 13.02 ? 29 PHE A C 1 ATOM 154 O O . PHE A 1 26 ? 7.240 -27.970 -11.485 1.00 16.65 ? 29 PHE A O 1 ATOM 155 C CB . PHE A 1 26 ? 4.706 -27.888 -9.561 1.00 13.36 ? 29 PHE A CB 1 ATOM 156 C CG . PHE A 1 26 ? 4.072 -28.279 -8.287 1.00 13.59 ? 29 PHE A CG 1 ATOM 157 C CD1 . PHE A 1 26 ? 4.737 -28.106 -7.089 1.00 13.59 ? 29 PHE A CD1 1 ATOM 158 C CD2 . PHE A 1 26 ? 2.852 -28.922 -8.296 1.00 13.36 ? 29 PHE A CD2 1 ATOM 159 C CE1 . PHE A 1 26 ? 4.164 -28.529 -5.908 1.00 15.29 ? 29 PHE A CE1 1 ATOM 160 C CE2 . PHE A 1 26 ? 2.282 -29.355 -7.121 1.00 14.06 ? 29 PHE A CE2 1 ATOM 161 C CZ . PHE A 1 26 ? 2.937 -29.157 -5.924 1.00 16.03 ? 29 PHE A CZ 1 ATOM 162 N N . THR A 1 27 ? 5.415 -28.795 -12.530 1.00 13.34 ? 30 THR A N 1 ATOM 163 C CA . THR A 1 27 ? 5.723 -28.212 -13.824 1.00 14.58 ? 30 THR A CA 1 ATOM 164 C C . THR A 1 27 ? 4.820 -27.009 -14.015 1.00 14.99 ? 30 THR A C 1 ATOM 165 O O . THR A 1 27 ? 3.606 -27.103 -13.841 1.00 14.38 ? 30 THR A O 1 ATOM 166 C CB . THR A 1 27 ? 5.466 -29.211 -14.960 1.00 17.02 ? 30 THR A CB 1 ATOM 167 O OG1 . THR A 1 27 ? 6.380 -30.305 -14.827 1.00 22.83 ? 30 THR A OG1 1 ATOM 168 C CG2 . THR A 1 27 ? 5.681 -28.544 -16.315 1.00 20.41 ? 30 THR A CG2 1 ATOM 169 N N . VAL A 1 28 ? 5.408 -25.870 -14.358 1.00 13.53 ? 31 VAL A N 1 ATOM 170 C CA . VAL A 1 28 ? 4.609 -24.672 -14.574 1.00 13.24 ? 31 VAL A CA 1 ATOM 171 C C . VAL A 1 28 ? 4.970 -24.019 -15.891 1.00 12.67 ? 31 VAL A C 1 ATOM 172 O O . VAL A 1 28 ? 6.098 -24.136 -16.362 1.00 15.48 ? 31 VAL A O 1 ATOM 173 C CB . VAL A 1 28 ? 4.794 -23.628 -13.443 1.00 11.39 ? 31 VAL A CB 1 ATOM 174 C CG1 . VAL A 1 28 ? 4.245 -24.163 -12.122 1.00 12.59 ? 31 VAL A CG1 1 ATOM 175 C CG2 . VAL A 1 28 ? 6.271 -23.211 -13.303 1.00 12.91 ? 31 VAL A CG2 1 ATOM 176 N N . VAL A 1 29 ? 3.996 -23.360 -16.501 1.00 11.74 ? 32 VAL A N 1 ATOM 177 C CA A VAL A 1 29 ? 4.314 -22.496 -17.627 0.80 12.68 ? 32 VAL A CA 1 ATOM 178 C CA B VAL A 1 29 ? 4.275 -22.472 -17.624 0.20 12.79 ? 32 VAL A CA 1 ATOM 179 C C . VAL A 1 29 ? 4.838 -21.162 -17.094 1.00 14.06 ? 32 VAL A C 1 ATOM 180 O O . VAL A 1 29 ? 4.264 -20.563 -16.188 1.00 13.02 ? 32 VAL A O 1 ATOM 181 C CB A VAL A 1 29 ? 3.128 -22.344 -18.615 0.80 15.14 ? 32 VAL A CB 1 ATOM 182 C CB B VAL A 1 29 ? 3.003 -22.162 -18.432 0.20 14.85 ? 32 VAL A CB 1 ATOM 183 C CG1 A VAL A 1 29 ? 1.863 -21.921 -17.914 0.80 15.35 ? 32 VAL A CG1 1 ATOM 184 C CG1 B VAL A 1 29 ? 2.673 -23.307 -19.355 0.20 16.09 ? 32 VAL A CG1 1 ATOM 185 C CG2 A VAL A 1 29 ? 3.480 -21.362 -19.727 0.80 14.27 ? 32 VAL A CG2 1 ATOM 186 C CG2 B VAL A 1 29 ? 1.837 -21.867 -17.505 0.20 16.05 ? 32 VAL A CG2 1 ATOM 187 N N . PHE A 1 30 ? 5.967 -20.720 -17.632 1.00 11.61 ? 33 PHE A N 1 ATOM 188 C CA . PHE A 1 30 ? 6.513 -19.423 -17.237 1.00 11.15 ? 33 PHE A CA 1 ATOM 189 C C . PHE A 1 30 ? 5.871 -18.397 -18.160 1.00 14.13 ? 33 PHE A C 1 ATOM 190 O O . PHE A 1 30 ? 6.135 -18.396 -19.361 1.00 15.81 ? 33 PHE A O 1 ATOM 191 C CB . PHE A 1 30 ? 8.036 -19.395 -17.401 1.00 12.00 ? 33 PHE A CB 1 ATOM 192 C CG . PHE A 1 30 ? 8.761 -20.369 -16.514 1.00 15.16 ? 33 PHE A CG 1 ATOM 193 C CD1 . PHE A 1 30 ? 8.645 -20.292 -15.137 1.00 15.43 ? 33 PHE A CD1 1 ATOM 194 C CD2 . PHE A 1 30 ? 9.573 -21.348 -17.062 1.00 20.72 ? 33 PHE A CD2 1 ATOM 195 C CE1 . PHE A 1 30 ? 9.322 -21.195 -14.308 1.00 17.12 ? 33 PHE A CE1 1 ATOM 196 C CE2 . PHE A 1 30 ? 10.247 -22.250 -16.247 1.00 25.64 ? 33 PHE A CE2 1 ATOM 197 C CZ . PHE A 1 30 ? 10.117 -22.171 -14.869 1.00 22.68 ? 33 PHE A CZ 1 ATOM 198 N N . ASP A 1 31 ? 5.017 -17.548 -17.600 1.00 9.90 ? 34 ASP A N 1 ATOM 199 C CA . ASP A 1 31 ? 4.079 -16.745 -18.389 1.00 9.94 ? 34 ASP A CA 1 ATOM 200 C C . ASP A 1 31 ? 4.290 -15.248 -18.218 1.00 10.46 ? 34 ASP A C 1 ATOM 201 O O . ASP A 1 31 ? 3.884 -14.665 -17.218 1.00 11.31 ? 34 ASP A O 1 ATOM 202 C CB . ASP A 1 31 ? 2.653 -17.112 -17.957 1.00 12.09 ? 34 ASP A CB 1 ATOM 203 C CG . ASP A 1 31 ? 1.593 -16.402 -18.750 1.00 13.19 ? 34 ASP A CG 1 ATOM 204 O OD1 . ASP A 1 31 ? 1.879 -15.950 -19.885 1.00 15.60 ? 34 ASP A OD1 1 ATOM 205 O OD2 . ASP A 1 31 ? 0.451 -16.331 -18.240 1.00 14.99 ? 34 ASP A OD2 1 ATOM 206 N N . THR A 1 32 ? 4.904 -14.611 -19.215 1.00 9.39 ? 35 THR A N 1 ATOM 207 C CA . THR A 1 32 ? 5.109 -13.176 -19.108 1.00 10.65 ? 35 THR A CA 1 ATOM 208 C C . THR A 1 32 ? 3.826 -12.402 -19.363 1.00 10.34 ? 35 THR A C 1 ATOM 209 O O . THR A 1 32 ? 3.826 -11.180 -19.294 1.00 11.96 ? 35 THR A O 1 ATOM 210 C CB . THR A 1 32 ? 6.228 -12.668 -20.048 1.00 11.08 ? 35 THR A CB 1 ATOM 211 O OG1 . THR A 1 32 ? 5.916 -13.020 -21.403 1.00 11.99 ? 35 THR A OG1 1 ATOM 212 C CG2 . THR A 1 32 ? 7.578 -13.283 -19.680 1.00 12.44 ? 35 THR A CG2 1 ATOM 213 N N . GLY A 1 33 ? 2.747 -13.117 -19.675 1.00 11.41 ? 36 GLY A N 1 ATOM 214 C CA . GLY A 1 33 ? 1.439 -12.495 -19.854 1.00 12.77 ? 36 GLY A CA 1 ATOM 215 C C . GLY A 1 33 ? 0.547 -12.470 -18.620 1.00 13.85 ? 36 GLY A C 1 ATOM 216 O O . GLY A 1 33 ? -0.613 -12.074 -18.700 1.00 15.53 ? 36 GLY A O 1 ATOM 217 N N . SER A 1 34 ? 1.075 -12.884 -17.465 1.00 10.34 ? 37 SER A N 1 ATOM 218 C CA . SER A 1 34 ? 0.310 -12.858 -16.223 1.00 9.65 ? 37 SER A CA 1 ATOM 219 C C . SER A 1 34 ? 1.262 -12.713 -15.056 1.00 10.39 ? 37 SER A C 1 ATOM 220 O O . SER A 1 34 ? 2.476 -12.694 -15.269 1.00 10.49 ? 37 SER A O 1 ATOM 221 C CB . SER A 1 34 ? -0.551 -14.109 -16.046 1.00 13.00 ? 37 SER A CB 1 ATOM 222 O OG . SER A 1 34 ? 0.231 -15.286 -15.918 1.00 13.94 ? 37 SER A OG 1 ATOM 223 N N . SER A 1 35 ? 0.729 -12.632 -13.834 1.00 10.58 ? 38 SER A N 1 ATOM 224 C CA . SER A 1 35 ? 1.580 -12.265 -12.696 1.00 9.11 ? 38 SER A CA 1 ATOM 225 C C . SER A 1 35 ? 1.463 -13.134 -11.461 1.00 10.44 ? 38 SER A C 1 ATOM 226 O O . SER A 1 35 ? 2.207 -12.934 -10.500 1.00 12.34 ? 38 SER A O 1 ATOM 227 C CB . SER A 1 35 ? 1.342 -10.804 -12.318 1.00 10.90 ? 38 SER A CB 1 ATOM 228 O OG . SER A 1 35 ? 1.609 -9.979 -13.451 1.00 11.87 ? 38 SER A OG 1 ATOM 229 N N . ASP A 1 36 ? 0.522 -14.069 -11.458 1.00 11.01 ? 39 ASP A N 1 ATOM 230 C CA . ASP A 1 36 ? 0.308 -14.907 -10.278 1.00 10.80 ? 39 ASP A CA 1 ATOM 231 C C . ASP A 1 36 ? 1.034 -16.239 -10.375 1.00 9.60 ? 39 ASP A C 1 ATOM 232 O O . ASP A 1 36 ? 1.230 -16.788 -11.472 1.00 12.01 ? 39 ASP A O 1 ATOM 233 C CB . ASP A 1 36 ? -1.191 -15.217 -10.132 1.00 12.08 ? 39 ASP A CB 1 ATOM 234 C CG . ASP A 1 36 ? -2.019 -13.999 -9.769 1.00 12.84 ? 39 ASP A CG 1 ATOM 235 O OD1 . ASP A 1 36 ? -1.543 -13.119 -9.031 1.00 14.90 ? 39 ASP A OD1 1 ATOM 236 O OD2 . ASP A 1 36 ? -3.178 -13.924 -10.239 1.00 15.76 ? 39 ASP A OD2 1 ATOM 237 N N . LEU A 1 37 ? 1.429 -16.768 -9.218 1.00 9.83 ? 40 LEU A N 1 ATOM 238 C CA . LEU A 1 37 ? 1.890 -18.149 -9.126 1.00 8.94 ? 40 LEU A CA 1 ATOM 239 C C . LEU A 1 37 ? 0.812 -19.012 -8.498 1.00 10.12 ? 40 LEU A C 1 ATOM 240 O O . LEU A 1 37 ? 0.327 -18.701 -7.404 1.00 11.00 ? 40 LEU A O 1 ATOM 241 C CB . LEU A 1 37 ? 3.157 -18.256 -8.258 1.00 10.92 ? 40 LEU A CB 1 ATOM 242 C CG . LEU A 1 37 ? 3.570 -19.691 -7.879 1.00 11.45 ? 40 LEU A CG 1 ATOM 243 C CD1 . LEU A 1 37 ? 4.033 -20.517 -9.083 1.00 11.90 ? 40 LEU A CD1 1 ATOM 244 C CD2 . LEU A 1 37 ? 4.655 -19.686 -6.784 1.00 12.71 ? 40 LEU A CD2 1 ATOM 245 N N . TRP A 1 38 ? 0.431 -20.089 -9.173 1.00 10.52 ? 41 TRP A N 1 ATOM 246 C CA . TRP A 1 38 ? -0.440 -21.074 -8.523 1.00 11.35 ? 41 TRP A CA 1 ATOM 247 C C . TRP A 1 38 ? -0.181 -22.479 -9.040 1.00 11.50 ? 41 TRP A C 1 ATOM 248 O O . TRP A 1 38 ? 0.275 -22.667 -10.179 1.00 11.38 ? 41 TRP A O 1 ATOM 249 C CB . TRP A 1 38 ? -1.927 -20.692 -8.674 1.00 11.14 ? 41 TRP A CB 1 ATOM 250 C CG . TRP A 1 38 ? -2.485 -20.765 -10.082 1.00 11.08 ? 41 TRP A CG 1 ATOM 251 C CD1 . TRP A 1 38 ? -2.602 -19.735 -10.960 1.00 12.09 ? 41 TRP A CD1 1 ATOM 252 C CD2 . TRP A 1 38 ? -3.018 -21.924 -10.747 1.00 11.56 ? 41 TRP A CD2 1 ATOM 253 N NE1 . TRP A 1 38 ? -3.173 -20.170 -12.133 1.00 14.80 ? 41 TRP A NE1 1 ATOM 254 C CE2 . TRP A 1 38 ? -3.433 -21.512 -12.027 1.00 13.65 ? 41 TRP A CE2 1 ATOM 255 C CE3 . TRP A 1 38 ? -3.191 -23.259 -10.376 1.00 13.49 ? 41 TRP A CE3 1 ATOM 256 C CZ2 . TRP A 1 38 ? -4.000 -22.392 -12.947 1.00 18.09 ? 41 TRP A CZ2 1 ATOM 257 C CZ3 . TRP A 1 38 ? -3.746 -24.137 -11.287 1.00 15.58 ? 41 TRP A CZ3 1 ATOM 258 C CH2 . TRP A 1 38 ? -4.150 -23.700 -12.558 1.00 18.92 ? 41 TRP A CH2 1 ATOM 259 N N . VAL A 1 39 ? -0.477 -23.464 -8.197 1.00 10.07 ? 42 VAL A N 1 ATOM 260 C CA . VAL A 1 39 ? -0.423 -24.870 -8.599 1.00 10.54 ? 42 VAL A CA 1 ATOM 261 C C . VAL A 1 39 ? -1.647 -25.563 -8.014 1.00 10.03 ? 42 VAL A C 1 ATOM 262 O O . VAL A 1 39 ? -2.319 -24.998 -7.158 1.00 12.32 ? 42 VAL A O 1 ATOM 263 C CB . VAL A 1 39 ? 0.870 -25.576 -8.103 1.00 11.10 ? 42 VAL A CB 1 ATOM 264 C CG1 . VAL A 1 39 ? 2.090 -24.936 -8.732 1.00 14.04 ? 42 VAL A CG1 1 ATOM 265 C CG2 . VAL A 1 39 ? 0.976 -25.563 -6.560 1.00 11.17 ? 42 VAL A CG2 1 ATOM 266 N N . PRO A 1 40 ? -1.948 -26.781 -8.480 1.00 10.82 ? 43 PRO A N 1 ATOM 267 C CA . PRO A 1 40 ? -3.094 -27.472 -7.872 1.00 13.66 ? 43 PRO A CA 1 ATOM 268 C C . PRO A 1 40 ? -2.804 -27.903 -6.444 1.00 13.84 ? 43 PRO A C 1 ATOM 269 O O . PRO A 1 40 ? -1.664 -28.214 -6.108 1.00 11.96 ? 43 PRO A O 1 ATOM 270 C CB . PRO A 1 40 ? -3.254 -28.726 -8.750 1.00 12.79 ? 43 PRO A CB 1 ATOM 271 C CG . PRO A 1 40 ? -2.464 -28.434 -10.012 1.00 14.44 ? 43 PRO A CG 1 ATOM 272 C CD . PRO A 1 40 ? -1.315 -27.580 -9.541 1.00 12.43 ? 43 PRO A CD 1 ATOM 273 N N . SER A 1 41 ? -3.836 -27.925 -5.610 1.00 11.86 ? 44 SER A N 1 ATOM 274 C CA . SER A 1 41 ? -3.695 -28.447 -4.252 1.00 11.75 ? 44 SER A CA 1 ATOM 275 C C . SER A 1 41 ? -4.317 -29.833 -4.113 1.00 15.16 ? 44 SER A C 1 ATOM 276 O O . SER A 1 41 ? -5.107 -30.266 -4.949 1.00 15.58 ? 44 SER A O 1 ATOM 277 C CB . SER A 1 41 ? -4.316 -27.499 -3.226 1.00 14.25 ? 44 SER A CB 1 ATOM 278 O OG . SER A 1 41 ? -5.692 -27.790 -3.018 1.00 14.72 ? 44 SER A OG 1 ATOM 279 N N . ILE A 1 42 ? -3.945 -30.514 -3.041 1.00 14.40 ? 45 ILE A N 1 ATOM 280 C CA . ILE A 1 42 ? -4.450 -31.841 -2.748 1.00 15.94 ? 45 ILE A CA 1 ATOM 281 C C . ILE A 1 42 ? -5.964 -31.809 -2.527 1.00 19.73 ? 45 ILE A C 1 ATOM 282 O O . ILE A 1 42 ? -6.630 -32.848 -2.579 1.00 20.26 ? 45 ILE A O 1 ATOM 283 C CB . ILE A 1 42 ? -3.727 -32.417 -1.505 1.00 18.19 ? 45 ILE A CB 1 ATOM 284 C CG1 . ILE A 1 42 ? -4.037 -33.904 -1.320 1.00 25.30 ? 45 ILE A CG1 1 ATOM 285 C CG2 . ILE A 1 42 ? -4.072 -31.615 -0.254 1.00 16.94 ? 45 ILE A CG2 1 ATOM 286 C CD1 . ILE A 1 42 ? -3.612 -34.768 -2.483 1.00 26.16 ? 45 ILE A CD1 1 ATOM 287 N N . TYR A 1 43 ? -6.504 -30.617 -2.281 1.00 17.96 ? 46 TYR A N 1 ATOM 288 C CA . TYR A 1 43 ? -7.939 -30.467 -2.036 1.00 17.70 ? 46 TYR A CA 1 ATOM 289 C C . TYR A 1 43 ? -8.772 -30.294 -3.303 1.00 21.19 ? 46 TYR A C 1 ATOM 290 O O . TYR A 1 43 ? -10.004 -30.259 -3.234 1.00 24.60 ? 46 TYR A O 1 ATOM 291 C CB . TYR A 1 43 ? -8.208 -29.336 -1.049 1.00 16.78 ? 46 TYR A CB 1 ATOM 292 C CG . TYR A 1 43 ? -7.409 -29.492 0.216 1.00 17.57 ? 46 TYR A CG 1 ATOM 293 C CD1 . TYR A 1 43 ? -7.622 -30.578 1.056 1.00 20.27 ? 46 TYR A CD1 1 ATOM 294 C CD2 . TYR A 1 43 ? -6.437 -28.565 0.571 1.00 15.59 ? 46 TYR A CD2 1 ATOM 295 C CE1 . TYR A 1 43 ? -6.897 -30.733 2.214 1.00 20.19 ? 46 TYR A CE1 1 ATOM 296 C CE2 . TYR A 1 43 ? -5.704 -28.711 1.729 1.00 17.90 ? 46 TYR A CE2 1 ATOM 297 C CZ . TYR A 1 43 ? -5.939 -29.797 2.544 1.00 21.68 ? 46 TYR A CZ 1 ATOM 298 O OH . TYR A 1 43 ? -5.208 -29.937 3.695 1.00 22.17 ? 46 TYR A OH 1 ATOM 299 N N . CYS A 1 44 ? -8.108 -30.180 -4.450 1.00 17.18 ? 47 CYS A N 1 ATOM 300 C CA . CYS A 1 44 ? -8.793 -30.289 -5.726 1.00 18.44 ? 47 CYS A CA 1 ATOM 301 C C . CYS A 1 44 ? -8.867 -31.767 -6.103 1.00 21.78 ? 47 CYS A C 1 ATOM 302 O O . CYS A 1 44 ? -7.840 -32.413 -6.309 1.00 20.75 ? 47 CYS A O 1 ATOM 303 C CB . CYS A 1 44 ? -8.038 -29.509 -6.797 1.00 18.50 ? 47 CYS A CB 1 ATOM 304 S SG . CYS A 1 44 ? -8.852 -29.533 -8.408 1.00 24.68 ? 47 CYS A SG 1 ATOM 305 N N . LYS A 1 45 ? -10.085 -32.298 -6.210 1.00 23.86 ? 48 LYS A N 1 ATOM 306 C CA . LYS A 1 45 ? -10.272 -33.742 -6.355 1.00 28.14 ? 48 LYS A CA 1 ATOM 307 C C . LYS A 1 45 ? -10.793 -34.184 -7.722 1.00 32.87 ? 48 LYS A C 1 ATOM 308 O O . LYS A 1 45 ? -11.172 -35.341 -7.895 1.00 31.10 ? 48 LYS A O 1 ATOM 309 C CB . LYS A 1 45 ? -11.224 -34.260 -5.273 1.00 34.53 ? 48 LYS A CB 1 ATOM 310 C CG . LYS A 1 45 ? -10.784 -33.972 -3.846 1.00 33.50 ? 48 LYS A CG 1 ATOM 311 C CD . LYS A 1 45 ? -9.521 -34.729 -3.480 1.00 33.02 ? 48 LYS A CD 1 ATOM 312 C CE . LYS A 1 45 ? -9.226 -34.609 -1.986 1.00 35.64 ? 48 LYS A CE 1 ATOM 313 N NZ . LYS A 1 45 ? -7.842 -35.060 -1.636 1.00 31.85 ? 48 LYS A NZ 1 ATOM 314 N N . SER A 1 46 ? -10.815 -33.269 -8.683 1.00 25.92 ? 49 SER A N 1 ATOM 315 C CA . SER A 1 46 ? -11.275 -33.584 -10.032 1.00 30.16 ? 49 SER A CA 1 ATOM 316 C C . SER A 1 46 ? -10.273 -34.482 -10.755 1.00 29.47 ? 49 SER A C 1 ATOM 317 O O . SER A 1 46 ? -9.136 -34.638 -10.309 1.00 25.00 ? 49 SER A O 1 ATOM 318 C CB . SER A 1 46 ? -11.480 -32.291 -10.823 1.00 31.58 ? 49 SER A CB 1 ATOM 319 O OG . SER A 1 46 ? -10.254 -31.586 -10.948 1.00 26.76 ? 49 SER A OG 1 ATOM 320 N N . ASN A 1 47 ? -10.688 -35.074 -11.873 1.00 27.66 ? 50 ASN A N 1 ATOM 321 C CA . ASN A 1 47 ? -9.782 -35.901 -12.659 1.00 27.61 ? 50 ASN A CA 1 ATOM 322 C C . ASN A 1 47 ? -8.568 -35.131 -13.145 1.00 25.07 ? 50 ASN A C 1 ATOM 323 O O . ASN A 1 47 ? -7.448 -35.638 -13.104 1.00 26.25 ? 50 ASN A O 1 ATOM 324 C CB . ASN A 1 47 ? -10.504 -36.515 -13.862 1.00 33.83 ? 50 ASN A CB 1 ATOM 325 C CG . ASN A 1 47 ? -11.311 -37.734 -13.490 1.00 36.23 ? 50 ASN A CG 1 ATOM 326 O OD1 . ASN A 1 47 ? -10.960 -38.464 -12.561 1.00 39.65 ? 50 ASN A OD1 1 ATOM 327 N ND2 . ASN A 1 47 ? -12.404 -37.964 -14.211 1.00 41.41 ? 50 ASN A ND2 1 ATOM 328 N N . VAL A 1 48 ? -8.789 -33.913 -13.629 1.00 25.09 ? 51 VAL A N 1 ATOM 329 C CA . VAL A 1 48 ? -7.676 -33.120 -14.116 1.00 23.54 ? 51 VAL A CA 1 ATOM 330 C C . VAL A 1 48 ? -6.673 -32.932 -12.977 1.00 20.91 ? 51 VAL A C 1 ATOM 331 O O . VAL A 1 48 ? -5.478 -33.144 -13.160 1.00 23.79 ? 51 VAL A O 1 ATOM 332 C CB . VAL A 1 48 ? -8.127 -31.766 -14.722 1.00 25.03 ? 51 VAL A CB 1 ATOM 333 C CG1 . VAL A 1 48 ? -8.695 -30.840 -13.655 1.00 28.74 ? 51 VAL A CG1 1 ATOM 334 C CG2 . VAL A 1 48 ? -6.974 -31.102 -15.453 1.00 29.88 ? 51 VAL A CG2 1 ATOM 335 N N . CYS A 1 49 ? -7.168 -32.571 -11.796 1.00 21.39 ? 52 CYS A N 1 ATOM 336 C CA . CYS A 1 49 ? -6.292 -32.343 -10.646 1.00 19.87 ? 52 CYS A CA 1 ATOM 337 C C . CYS A 1 49 ? -5.632 -33.627 -10.144 1.00 21.26 ? 52 CYS A C 1 ATOM 338 O O . CYS A 1 49 ? -4.424 -33.655 -9.877 1.00 20.56 ? 52 CYS A O 1 ATOM 339 C CB . CYS A 1 49 ? -7.051 -31.657 -9.505 1.00 20.47 ? 52 CYS A CB 1 ATOM 340 S SG . CYS A 1 49 ? -7.351 -29.883 -9.771 1.00 23.05 ? 52 CYS A SG 1 ATOM 341 N N . LYS A 1 50 ? -6.422 -34.689 -10.028 1.00 21.58 ? 53 LYS A N 1 ATOM 342 C CA . LYS A 1 50 ? -5.904 -35.959 -9.521 1.00 25.05 ? 53 LYS A CA 1 ATOM 343 C C . LYS A 1 50 ? -4.781 -36.506 -10.397 1.00 21.35 ? 53 LYS A C 1 ATOM 344 O O . LYS A 1 50 ? -3.913 -37.233 -9.922 1.00 25.34 ? 53 LYS A O 1 ATOM 345 C CB . LYS A 1 50 ? -7.025 -36.994 -9.398 1.00 25.84 ? 53 LYS A CB 1 ATOM 346 C CG . LYS A 1 50 ? -7.960 -36.773 -8.212 1.00 32.64 ? 53 LYS A CG 1 ATOM 347 C CD . LYS A 1 50 ? -8.988 -37.897 -8.110 1.00 41.37 ? 53 LYS A CD 1 ATOM 348 C CE . LYS A 1 50 ? -9.896 -37.725 -6.900 1.00 42.97 ? 53 LYS A CE 1 ATOM 349 N NZ . LYS A 1 50 ? -10.975 -38.748 -6.855 1.00 54.16 ? 53 LYS A NZ 1 ATOM 350 N N . ASN A 1 51 ? -4.796 -36.159 -11.683 1.00 21.92 ? 54 ASN A N 1 ATOM 351 C CA . ASN A 1 51 ? -3.798 -36.680 -12.606 1.00 22.07 ? 54 ASN A CA 1 ATOM 352 C C . ASN A 1 51 ? -2.704 -35.670 -12.941 1.00 22.86 ? 54 ASN A C 1 ATOM 353 O O . ASN A 1 51 ? -1.942 -35.840 -13.892 1.00 24.92 ? 54 ASN A O 1 ATOM 354 C CB . ASN A 1 51 ? -4.473 -37.229 -13.864 1.00 25.27 ? 54 ASN A CB 1 ATOM 355 C CG . ASN A 1 51 ? -5.265 -38.492 -13.583 1.00 25.20 ? 54 ASN A CG 1 ATOM 356 O OD1 . ASN A 1 51 ? -4.705 -39.584 -13.544 1.00 29.09 ? 54 ASN A OD1 1 ATOM 357 N ND2 . ASN A 1 51 ? -6.563 -38.344 -13.354 1.00 25.74 ? 54 ASN A ND2 1 ATOM 358 N N . HIS A 1 52 ? -2.640 -34.620 -12.128 1.00 19.79 ? 55 HIS A N 1 ATOM 359 C CA . HIS A 1 52 ? -1.519 -33.690 -12.125 1.00 22.84 ? 55 HIS A CA 1 ATOM 360 C C . HIS A 1 52 ? -0.834 -33.738 -10.764 1.00 19.97 ? 55 HIS A C 1 ATOM 361 O O . HIS A 1 52 ? -1.306 -34.411 -9.851 1.00 21.48 ? 55 HIS A O 1 ATOM 362 C CB . HIS A 1 52 ? -2.005 -32.269 -12.412 1.00 18.76 ? 55 HIS A CB 1 ATOM 363 C CG . HIS A 1 52 ? -2.059 -31.944 -13.872 1.00 19.41 ? 55 HIS A CG 1 ATOM 364 N ND1 . HIS A 1 52 ? -3.192 -32.119 -14.637 1.00 29.01 ? 55 HIS A ND1 1 ATOM 365 C CD2 . HIS A 1 52 ? -1.104 -31.480 -14.712 1.00 21.14 ? 55 HIS A CD2 1 ATOM 366 C CE1 . HIS A 1 52 ? -2.935 -31.767 -15.885 1.00 22.54 ? 55 HIS A CE1 1 ATOM 367 N NE2 . HIS A 1 52 ? -1.675 -31.376 -15.957 1.00 25.97 ? 55 HIS A NE2 1 ATOM 368 N N . HIS A 1 53 ? 0.294 -33.052 -10.631 1.00 17.47 ? 56 HIS A N 1 ATOM 369 C CA . HIS A 1 53 ? 0.913 -32.910 -9.310 1.00 17.71 ? 56 HIS A CA 1 ATOM 370 C C . HIS A 1 53 ? 0.083 -31.971 -8.451 1.00 16.49 ? 56 HIS A C 1 ATOM 371 O O . HIS A 1 53 ? -0.342 -30.915 -8.920 1.00 15.44 ? 56 HIS A O 1 ATOM 372 C CB . HIS A 1 53 ? 2.338 -32.380 -9.418 1.00 17.61 ? 56 HIS A CB 1 ATOM 373 C CG . HIS A 1 53 ? 3.290 -33.337 -10.061 1.00 22.76 ? 56 HIS A CG 1 ATOM 374 N ND1 . HIS A 1 53 ? 4.237 -32.936 -10.978 1.00 35.20 ? 56 HIS A ND1 1 ATOM 375 C CD2 . HIS A 1 53 ? 3.431 -34.678 -9.935 1.00 32.91 ? 56 HIS A CD2 1 ATOM 376 C CE1 . HIS A 1 53 ? 4.928 -33.989 -11.383 1.00 38.18 ? 56 HIS A CE1 1 ATOM 377 N NE2 . HIS A 1 53 ? 4.457 -35.058 -10.767 1.00 28.37 ? 56 HIS A NE2 1 ATOM 378 N N . ARG A 1 54 ? -0.128 -32.350 -7.191 1.00 15.76 ? 57 ARG A N 1 ATOM 379 C CA . ARG A 1 54 ? -0.919 -31.554 -6.262 1.00 14.38 ? 57 ARG A CA 1 ATOM 380 C C . ARG A 1 54 ? -0.142 -31.255 -4.981 1.00 16.19 ? 57 ARG A C 1 ATOM 381 O O . ARG A 1 54 ? 0.419 -32.158 -4.356 1.00 17.96 ? 57 ARG A O 1 ATOM 382 C CB . ARG A 1 54 ? -2.210 -32.290 -5.889 1.00 17.41 ? 57 ARG A CB 1 ATOM 383 C CG . ARG A 1 54 ? -3.186 -32.452 -7.041 1.00 15.49 ? 57 ARG A CG 1 ATOM 384 C CD . ARG A 1 54 ? -4.474 -33.113 -6.576 1.00 18.29 ? 57 ARG A CD 1 ATOM 385 N NE . ARG A 1 54 ? -4.238 -34.509 -6.216 1.00 18.72 ? 57 ARG A NE 1 ATOM 386 C CZ . ARG A 1 54 ? -5.161 -35.313 -5.709 1.00 23.49 ? 57 ARG A CZ 1 ATOM 387 N NH1 . ARG A 1 54 ? -6.387 -34.861 -5.486 1.00 23.93 ? 57 ARG A NH1 1 ATOM 388 N NH2 . ARG A 1 54 ? -4.849 -36.572 -5.422 1.00 24.89 ? 57 ARG A NH2 1 ATOM 389 N N . PHE A 1 55 ? -0.135 -29.989 -4.581 1.00 13.33 ? 58 PHE A N 1 ATOM 390 C CA . PHE A 1 55 ? 0.587 -29.579 -3.389 1.00 12.52 ? 58 PHE A CA 1 ATOM 391 C C . PHE A 1 55 ? -0.202 -29.938 -2.132 1.00 14.53 ? 58 PHE A C 1 ATOM 392 O O . PHE A 1 55 ? -1.378 -29.578 -1.989 1.00 15.30 ? 58 PHE A O 1 ATOM 393 C CB . PHE A 1 55 ? 0.843 -28.075 -3.427 1.00 12.71 ? 58 PHE A CB 1 ATOM 394 C CG . PHE A 1 55 ? 1.652 -27.570 -2.270 1.00 12.06 ? 58 PHE A CG 1 ATOM 395 C CD1 . PHE A 1 55 ? 3.030 -27.768 -2.238 1.00 13.68 ? 58 PHE A CD1 1 ATOM 396 C CD2 . PHE A 1 55 ? 1.039 -26.897 -1.218 1.00 12.41 ? 58 PHE A CD2 1 ATOM 397 C CE1 . PHE A 1 55 ? 3.777 -27.307 -1.172 1.00 13.98 ? 58 PHE A CE1 1 ATOM 398 C CE2 . PHE A 1 55 ? 1.781 -26.425 -0.143 1.00 13.53 ? 58 PHE A CE2 1 ATOM 399 C CZ . PHE A 1 55 ? 3.158 -26.631 -0.124 1.00 13.24 ? 58 PHE A CZ 1 ATOM 400 N N . ASP A 1 56 ? 0.444 -30.651 -1.217 1.00 14.38 ? 59 ASP A N 1 ATOM 401 C CA . ASP A 1 56 ? -0.184 -30.959 0.065 1.00 16.07 ? 59 ASP A CA 1 ATOM 402 C C . ASP A 1 56 ? 0.461 -30.101 1.150 1.00 16.91 ? 59 ASP A C 1 ATOM 403 O O . ASP A 1 56 ? 1.590 -30.360 1.563 1.00 15.82 ? 59 ASP A O 1 ATOM 404 C CB . ASP A 1 56 ? -0.011 -32.439 0.395 1.00 16.04 ? 59 ASP A CB 1 ATOM 405 C CG . ASP A 1 56 ? -0.796 -32.849 1.617 1.00 17.59 ? 59 ASP A CG 1 ATOM 406 O OD1 . ASP A 1 56 ? -1.147 -31.964 2.422 1.00 17.69 ? 59 ASP A OD1 1 ATOM 407 O OD2 . ASP A 1 56 ? -1.070 -34.059 1.755 1.00 25.59 ? 59 ASP A OD2 1 ATOM 408 N N . PRO A 1 57 ? -0.238 -29.054 1.609 1.00 14.58 ? 60 PRO A N 1 ATOM 409 C CA . PRO A 1 57 ? 0.377 -28.162 2.598 1.00 14.66 ? 60 PRO A CA 1 ATOM 410 C C . PRO A 1 57 ? 0.687 -28.852 3.927 1.00 16.31 ? 60 PRO A C 1 ATOM 411 O O . PRO A 1 57 ? 1.570 -28.401 4.660 1.00 16.48 ? 60 PRO A O 1 ATOM 412 C CB . PRO A 1 57 ? -0.689 -27.073 2.816 1.00 17.31 ? 60 PRO A CB 1 ATOM 413 C CG . PRO A 1 57 ? -1.620 -27.178 1.650 1.00 15.95 ? 60 PRO A CG 1 ATOM 414 C CD . PRO A 1 57 ? -1.602 -28.632 1.240 1.00 15.51 ? 60 PRO A CD 1 ATOM 415 N N . ARG A 1 58 ? -0.044 -29.916 4.240 1.00 16.47 ? 61 ARG A N 1 ATOM 416 C CA . ARG A 1 58 ? 0.167 -30.613 5.506 1.00 18.41 ? 61 ARG A CA 1 ATOM 417 C C . ARG A 1 58 ? 1.562 -31.222 5.584 1.00 20.84 ? 61 ARG A C 1 ATOM 418 O O . ARG A 1 58 ? 2.082 -31.459 6.681 1.00 22.90 ? 61 ARG A O 1 ATOM 419 C CB . ARG A 1 58 ? -0.894 -31.697 5.685 1.00 21.93 ? 61 ARG A CB 1 ATOM 420 C CG . ARG A 1 58 ? -2.302 -31.135 5.740 1.00 22.77 ? 61 ARG A CG 1 ATOM 421 C CD . ARG A 1 58 ? -3.349 -32.213 5.554 1.00 23.65 ? 61 ARG A CD 1 ATOM 422 N NE . ARG A 1 58 ? -3.239 -32.870 4.256 1.00 24.31 ? 61 ARG A NE 1 ATOM 423 C CZ . ARG A 1 58 ? -4.221 -33.562 3.688 1.00 30.92 ? 61 ARG A CZ 1 ATOM 424 N NH1 . ARG A 1 58 ? -5.392 -33.683 4.302 1.00 32.78 ? 61 ARG A NH1 1 ATOM 425 N NH2 . ARG A 1 58 ? -4.036 -34.132 2.506 1.00 27.70 ? 61 ARG A NH2 1 ATOM 426 N N . LYS A 1 59 ? 2.156 -31.475 4.421 1.00 17.48 ? 62 LYS A N 1 ATOM 427 C CA . LYS A 1 59 ? 3.471 -32.105 4.312 1.00 18.14 ? 62 LYS A CA 1 ATOM 428 C C . LYS A 1 59 ? 4.632 -31.105 4.282 1.00 20.02 ? 62 LYS A C 1 ATOM 429 O O . LYS A 1 59 ? 5.795 -31.507 4.212 1.00 18.90 ? 62 LYS A O 1 ATOM 430 C CB . LYS A 1 59 ? 3.533 -33.010 3.080 1.00 20.38 ? 62 LYS A CB 1 ATOM 431 C CG . LYS A 1 59 ? 2.529 -34.164 3.105 1.00 22.10 ? 62 LYS A CG 1 ATOM 432 C CD . LYS A 1 59 ? 2.730 -35.100 1.924 1.00 26.88 ? 62 LYS A CD 1 ATOM 433 C CE . LYS A 1 59 ? 1.756 -36.274 1.982 1.00 32.05 ? 62 LYS A CE 1 ATOM 434 N NZ . LYS A 1 59 ? 1.903 -37.197 0.817 1.00 37.98 ? 62 LYS A NZ 1 ATOM 435 N N . SER A 1 60 ? 4.319 -29.810 4.333 1.00 15.65 ? 63 SER A N 1 ATOM 436 C CA . SER A 1 60 ? 5.347 -28.773 4.311 1.00 15.34 ? 63 SER A CA 1 ATOM 437 C C . SER A 1 60 ? 5.458 -28.010 5.621 1.00 16.00 ? 63 SER A C 1 ATOM 438 O O . SER A 1 60 ? 4.511 -27.345 6.053 1.00 17.21 ? 63 SER A O 1 ATOM 439 C CB . SER A 1 60 ? 5.107 -27.766 3.173 1.00 14.82 ? 63 SER A CB 1 ATOM 440 O OG . SER A 1 60 ? 6.079 -26.734 3.267 1.00 14.83 ? 63 SER A OG 1 ATOM 441 N N . SER A 1 61 ? 6.633 -28.075 6.242 1.00 16.42 ? 64 SER A N 1 ATOM 442 C CA . SER A 1 61 ? 6.829 -27.425 7.535 1.00 19.95 ? 64 SER A CA 1 ATOM 443 C C . SER A 1 61 ? 6.917 -25.904 7.446 1.00 17.68 ? 64 SER A C 1 ATOM 444 O O . SER A 1 61 ? 6.772 -25.211 8.448 1.00 22.33 ? 64 SER A O 1 ATOM 445 C CB . SER A 1 61 ? 8.072 -27.980 8.231 1.00 21.47 ? 64 SER A CB 1 ATOM 446 O OG . SER A 1 61 ? 9.216 -27.863 7.403 1.00 22.08 ? 64 SER A OG 1 ATOM 447 N N . THR A 1 62 ? 7.147 -25.386 6.240 1.00 16.04 ? 65 THR A N 1 ATOM 448 C CA . THR A 1 62 ? 7.287 -23.951 6.053 1.00 15.24 ? 65 THR A CA 1 ATOM 449 C C . THR A 1 62 ? 6.007 -23.291 5.525 1.00 15.05 ? 65 THR A C 1 ATOM 450 O O . THR A 1 62 ? 5.958 -22.076 5.357 1.00 18.53 ? 65 THR A O 1 ATOM 451 C CB . THR A 1 62 ? 8.444 -23.649 5.083 1.00 16.39 ? 65 THR A CB 1 ATOM 452 O OG1 . THR A 1 62 ? 8.459 -24.639 4.058 1.00 16.55 ? 65 THR A OG1 1 ATOM 453 C CG2 . THR A 1 62 ? 9.768 -23.704 5.813 1.00 21.26 ? 65 THR A CG2 1 ATOM 454 N N . PHE A 1 63 ? 4.974 -24.091 5.277 1.00 16.36 ? 66 PHE A N 1 ATOM 455 C CA . PHE A 1 63 ? 3.716 -23.541 4.770 1.00 15.92 ? 66 PHE A CA 1 ATOM 456 C C . PHE A 1 63 ? 2.999 -22.683 5.800 1.00 16.65 ? 66 PHE A C 1 ATOM 457 O O . PHE A 1 63 ? 2.906 -23.057 6.975 1.00 15.54 ? 66 PHE A O 1 ATOM 458 C CB . PHE A 1 63 ? 2.781 -24.665 4.332 1.00 14.04 ? 66 PHE A CB 1 ATOM 459 C CG . PHE A 1 63 ? 1.441 -24.181 3.873 1.00 16.06 ? 66 PHE A CG 1 ATOM 460 C CD1 . PHE A 1 63 ? 1.265 -23.728 2.578 1.00 16.87 ? 66 PHE A CD1 1 ATOM 461 C CD2 . PHE A 1 63 ? 0.362 -24.161 4.745 1.00 19.16 ? 66 PHE A CD2 1 ATOM 462 C CE1 . PHE A 1 63 ? 0.020 -23.271 2.159 1.00 20.21 ? 66 PHE A CE1 1 ATOM 463 C CE2 . PHE A 1 63 ? -0.874 -23.707 4.324 1.00 24.36 ? 66 PHE A CE2 1 ATOM 464 C CZ . PHE A 1 63 ? -1.038 -23.265 3.034 1.00 21.68 ? 66 PHE A CZ 1 ATOM 465 N N . ARG A 1 64 ? 2.481 -21.541 5.367 1.00 13.58 ? 67 ARG A N 1 ATOM 466 C CA . ARG A 1 64 ? 1.625 -20.727 6.226 1.00 15.35 ? 67 ARG A CA 1 ATOM 467 C C . ARG A 1 64 ? 0.402 -20.302 5.433 1.00 15.79 ? 67 ARG A C 1 ATOM 468 O O . ARG A 1 64 ? 0.523 -19.806 4.323 1.00 19.11 ? 67 ARG A O 1 ATOM 469 C CB . ARG A 1 64 ? 2.357 -19.497 6.761 1.00 16.68 ? 67 ARG A CB 1 ATOM 470 C CG . ARG A 1 64 ? 3.622 -19.823 7.560 1.00 22.70 ? 67 ARG A CG 1 ATOM 471 C CD . ARG A 1 64 ? 3.309 -20.621 8.820 1.00 29.32 ? 67 ARG A CD 1 ATOM 472 N NE . ARG A 1 64 ? 4.487 -20.781 9.675 1.00 30.45 ? 67 ARG A NE 1 ATOM 473 C CZ . ARG A 1 64 ? 5.273 -21.855 9.685 1.00 33.99 ? 67 ARG A CZ 1 ATOM 474 N NH1 . ARG A 1 64 ? 5.014 -22.886 8.889 1.00 29.69 ? 67 ARG A NH1 1 ATOM 475 N NH2 . ARG A 1 64 ? 6.322 -21.901 10.500 1.00 39.16 ? 67 ARG A NH2 1 ATOM 476 N N . ASN A 1 65 ? -0.778 -20.504 6.008 1.00 14.54 ? 68 ASN A N 1 ATOM 477 C CA . ASN A 1 65 ? -2.024 -20.146 5.335 1.00 14.10 ? 68 ASN A CA 1 ATOM 478 C C . ASN A 1 65 ? -2.258 -18.645 5.458 1.00 16.86 ? 68 ASN A C 1 ATOM 479 O O . ASN A 1 65 ? -2.194 -18.098 6.556 1.00 22.12 ? 68 ASN A O 1 ATOM 480 C CB . ASN A 1 65 ? -3.182 -20.931 5.963 1.00 15.80 ? 68 ASN A CB 1 ATOM 481 C CG . ASN A 1 65 ? -4.425 -20.928 5.104 1.00 13.76 ? 68 ASN A CG 1 ATOM 482 O OD1 . ASN A 1 65 ? -4.928 -19.874 4.731 1.00 16.60 ? 68 ASN A OD1 1 ATOM 483 N ND2 . ASN A 1 65 ? -4.901 -22.107 4.757 1.00 17.73 ? 68 ASN A ND2 1 ATOM 484 N N . LEU A 1 66 ? -2.520 -17.971 4.341 1.00 12.82 ? 69 LEU A N 1 ATOM 485 C CA . LEU A 1 66 ? -2.680 -16.519 4.347 1.00 12.07 ? 69 LEU A CA 1 ATOM 486 C C . LEU A 1 66 ? -4.091 -16.068 4.751 1.00 14.69 ? 69 LEU A C 1 ATOM 487 O O . LEU A 1 66 ? -4.304 -14.896 5.068 1.00 15.14 ? 69 LEU A O 1 ATOM 488 C CB . LEU A 1 66 ? -2.334 -15.931 2.977 1.00 18.43 ? 69 LEU A CB 1 ATOM 489 C CG . LEU A 1 66 ? -0.872 -15.503 2.873 1.00 23.85 ? 69 LEU A CG 1 ATOM 490 C CD1 . LEU A 1 66 ? -0.305 -15.710 1.481 1.00 24.60 ? 69 LEU A CD1 1 ATOM 491 C CD2 . LEU A 1 66 ? -0.762 -14.058 3.311 1.00 34.27 ? 69 LEU A CD2 1 ATOM 492 N N . GLY A 1 67 ? -5.043 -16.987 4.684 1.00 14.39 ? 70 GLY A N 1 ATOM 493 C CA . GLY A 1 67 ? -6.442 -16.624 4.895 1.00 14.35 ? 70 GLY A CA 1 ATOM 494 C C . GLY A 1 67 ? -6.991 -15.703 3.815 1.00 15.19 ? 70 GLY A C 1 ATOM 495 O O . GLY A 1 67 ? -7.788 -14.800 4.103 1.00 14.01 ? 70 GLY A O 1 ATOM 496 N N . LYS A 1 68 ? -6.566 -15.926 2.571 1.00 13.82 ? 71 LYS A N 1 ATOM 497 C CA . LYS A 1 68 ? -6.975 -15.112 1.430 1.00 12.71 ? 71 LYS A CA 1 ATOM 498 C C . LYS A 1 68 ? -7.277 -16.017 0.244 1.00 11.63 ? 71 LYS A C 1 ATOM 499 O O . LYS A 1 68 ? -6.555 -16.991 -0.013 1.00 12.59 ? 71 LYS A O 1 ATOM 500 C CB . LYS A 1 68 ? -5.860 -14.133 1.025 1.00 13.52 ? 71 LYS A CB 1 ATOM 501 C CG . LYS A 1 68 ? -5.370 -13.204 2.124 1.00 14.11 ? 71 LYS A CG 1 ATOM 502 C CD . LYS A 1 68 ? -6.466 -12.268 2.619 1.00 13.79 ? 71 LYS A CD 1 ATOM 503 C CE . LYS A 1 68 ? -5.942 -11.304 3.657 1.00 18.71 ? 71 LYS A CE 1 ATOM 504 N NZ . LYS A 1 68 ? -5.672 -12.024 4.931 1.00 22.81 ? 71 LYS A NZ 1 ATOM 505 N N . PRO A 1 69 ? -8.358 -15.714 -0.488 1.00 11.66 ? 72 PRO A N 1 ATOM 506 C CA . PRO A 1 69 ? -8.732 -16.526 -1.639 1.00 11.94 ? 72 PRO A CA 1 ATOM 507 C C . PRO A 1 69 ? -8.062 -16.047 -2.917 1.00 13.85 ? 72 PRO A C 1 ATOM 508 O O . PRO A 1 69 ? -7.517 -14.950 -2.959 1.00 14.76 ? 72 PRO A O 1 ATOM 509 C CB . PRO A 1 69 ? -10.240 -16.271 -1.750 1.00 15.66 ? 72 PRO A CB 1 ATOM 510 C CG . PRO A 1 69 ? -10.382 -14.846 -1.317 1.00 15.21 ? 72 PRO A CG 1 ATOM 511 C CD . PRO A 1 69 ? -9.341 -14.649 -0.211 1.00 13.53 ? 72 PRO A CD 1 ATOM 512 N N . LEU A 1 70 ? -8.143 -16.882 -3.940 1.00 14.37 ? 73 LEU A N 1 ATOM 513 C CA . LEU A 1 70 ? -7.682 -16.556 -5.279 1.00 15.13 ? 73 LEU A CA 1 ATOM 514 C C . LEU A 1 70 ? -8.722 -17.052 -6.281 1.00 13.89 ? 73 LEU A C 1 ATOM 515 O O . LEU A 1 70 ? -9.248 -18.153 -6.151 1.00 15.60 ? 73 LEU A O 1 ATOM 516 C CB . LEU A 1 70 ? -6.323 -17.232 -5.528 1.00 15.70 ? 73 LEU A CB 1 ATOM 517 C CG . LEU A 1 70 ? -5.627 -16.983 -6.863 1.00 14.78 ? 73 LEU A CG 1 ATOM 518 C CD1 . LEU A 1 70 ? -5.393 -15.505 -7.026 1.00 18.69 ? 73 LEU A CD1 1 ATOM 519 C CD2 . LEU A 1 70 ? -4.298 -17.739 -6.970 1.00 18.02 ? 73 LEU A CD2 1 ATOM 520 N N . SER A 1 71 ? -9.020 -16.238 -7.290 1.00 15.47 ? 74 SER A N 1 ATOM 521 C CA . SER A 1 71 ? -9.904 -16.668 -8.363 1.00 17.61 ? 74 SER A CA 1 ATOM 522 C C . SER A 1 71 ? -9.413 -16.046 -9.651 1.00 13.46 ? 74 SER A C 1 ATOM 523 O O . SER A 1 71 ? -9.248 -14.830 -9.722 1.00 16.98 ? 74 SER A O 1 ATOM 524 C CB . SER A 1 71 ? -11.334 -16.197 -8.088 1.00 19.54 ? 74 SER A CB 1 ATOM 525 O OG . SER A 1 71 ? -12.179 -16.442 -9.196 1.00 32.49 ? 74 SER A OG 1 ATOM 526 N N . ILE A 1 72 ? -9.155 -16.876 -10.655 1.00 14.45 ? 75 ILE A N 1 ATOM 527 C CA . ILE A 1 72 ? -8.656 -16.371 -11.933 1.00 16.11 ? 75 ILE A CA 1 ATOM 528 C C . ILE A 1 72 ? -9.472 -16.963 -13.063 1.00 15.60 ? 75 ILE A C 1 ATOM 529 O O . ILE A 1 72 ? -9.734 -18.159 -13.083 1.00 18.78 ? 75 ILE A O 1 ATOM 530 C CB . ILE A 1 72 ? -7.183 -16.741 -12.145 1.00 15.46 ? 75 ILE A CB 1 ATOM 531 C CG1 . ILE A 1 72 ? -6.334 -16.251 -10.968 1.00 14.80 ? 75 ILE A CG1 1 ATOM 532 C CG2 . ILE A 1 72 ? -6.679 -16.149 -13.471 1.00 17.37 ? 75 ILE A CG2 1 ATOM 533 C CD1 . ILE A 1 72 ? -4.919 -16.856 -10.953 1.00 16.75 ? 75 ILE A CD1 1 ATOM 534 N N . HIS A 1 73 ? -9.886 -16.132 -14.011 1.00 20.28 ? 76 HIS A N 1 ATOM 535 C CA . HIS A 1 73 ? -10.630 -16.662 -15.138 1.00 24.20 ? 76 HIS A CA 1 ATOM 536 C C . HIS A 1 73 ? -9.777 -16.678 -16.391 1.00 23.80 ? 76 HIS A C 1 ATOM 537 O O . HIS A 1 73 ? -8.994 -15.763 -16.640 1.00 28.56 ? 76 HIS A O 1 ATOM 538 C CB . HIS A 1 73 ? -11.935 -15.886 -15.326 1.00 33.06 ? 76 HIS A CB 1 ATOM 539 C CG . HIS A 1 73 ? -12.825 -15.939 -14.123 1.00 37.55 ? 76 HIS A CG 1 ATOM 540 N ND1 . HIS A 1 73 ? -12.572 -15.212 -12.980 1.00 41.01 ? 76 HIS A ND1 1 ATOM 541 C CD2 . HIS A 1 73 ? -13.940 -16.663 -13.869 1.00 43.88 ? 76 HIS A CD2 1 ATOM 542 C CE1 . HIS A 1 73 ? -13.506 -15.468 -12.081 1.00 43.09 ? 76 HIS A CE1 1 ATOM 543 N NE2 . HIS A 1 73 ? -14.348 -16.347 -12.595 1.00 44.26 ? 76 HIS A NE2 1 ATOM 544 N N . TYR A 1 74 ? -9.913 -17.751 -17.159 1.00 25.82 ? 77 TYR A N 1 ATOM 545 C CA . TYR A 1 74 ? -9.222 -17.868 -18.434 1.00 28.62 ? 77 TYR A CA 1 ATOM 546 C C . TYR A 1 74 ? -10.251 -17.940 -19.555 1.00 34.49 ? 77 TYR A C 1 ATOM 547 O O . TYR A 1 74 ? -11.441 -18.118 -19.296 1.00 39.36 ? 77 TYR A O 1 ATOM 548 C CB . TYR A 1 74 ? -8.294 -19.082 -18.416 1.00 29.71 ? 77 TYR A CB 1 ATOM 549 C CG . TYR A 1 74 ? -7.270 -18.984 -17.302 1.00 25.86 ? 77 TYR A CG 1 ATOM 550 C CD1 . TYR A 1 74 ? -6.105 -18.251 -17.474 1.00 27.94 ? 77 TYR A CD1 1 ATOM 551 C CD2 . TYR A 1 74 ? -7.488 -19.591 -16.069 1.00 24.47 ? 77 TYR A CD2 1 ATOM 552 C CE1 . TYR A 1 74 ? -5.172 -18.141 -16.459 1.00 22.43 ? 77 TYR A CE1 1 ATOM 553 C CE2 . TYR A 1 74 ? -6.558 -19.478 -15.041 1.00 26.40 ? 77 TYR A CE2 1 ATOM 554 C CZ . TYR A 1 74 ? -5.404 -18.756 -15.252 1.00 22.73 ? 77 TYR A CZ 1 ATOM 555 O OH . TYR A 1 74 ? -4.474 -18.624 -14.254 1.00 20.38 ? 77 TYR A OH 1 ATOM 556 N N . GLY A 1 75 ? -9.802 -17.768 -20.791 1.00 39.13 ? 78 GLY A N 1 ATOM 557 C CA . GLY A 1 75 ? -10.708 -17.805 -21.924 1.00 44.13 ? 78 GLY A CA 1 ATOM 558 C C . GLY A 1 75 ? -11.547 -19.067 -21.901 1.00 48.79 ? 78 GLY A C 1 ATOM 559 O O . GLY A 1 75 ? -12.767 -19.026 -22.074 1.00 50.86 ? 78 GLY A O 1 ATOM 560 N N . THR A 1 76 ? -10.885 -20.194 -21.667 1.00 41.22 ? 79 THR A N 1 ATOM 561 C CA . THR A 1 76 ? -11.556 -21.485 -21.674 1.00 40.55 ? 79 THR A CA 1 ATOM 562 C C . THR A 1 76 ? -11.399 -22.222 -20.347 1.00 42.81 ? 79 THR A C 1 ATOM 563 O O . THR A 1 76 ? -11.101 -23.416 -20.322 1.00 38.68 ? 79 THR A O 1 ATOM 564 C CB . THR A 1 76 ? -11.041 -22.367 -22.822 1.00 46.65 ? 79 THR A CB 1 ATOM 565 O OG1 . THR A 1 76 ? -9.607 -22.383 -22.805 1.00 43.97 ? 79 THR A OG1 1 ATOM 566 C CG2 . THR A 1 76 ? -11.516 -21.817 -24.161 1.00 49.31 ? 79 THR A CG2 1 ATOM 567 N N . GLY A 1 77 ? -11.603 -21.503 -19.246 1.00 38.93 ? 80 GLY A N 1 ATOM 568 C CA . GLY A 1 77 ? -11.615 -22.118 -17.932 1.00 34.57 ? 80 GLY A CA 1 ATOM 569 C C . GLY A 1 77 ? -11.396 -21.120 -16.814 1.00 32.66 ? 80 GLY A C 1 ATOM 570 O O . GLY A 1 77 ? -11.272 -19.921 -17.050 1.00 32.57 ? 80 GLY A O 1 ATOM 571 N N . SER A 1 78 ? -11.353 -21.621 -15.587 1.00 26.74 ? 81 SER A N 1 ATOM 572 C CA . SER A 1 78 ? -11.090 -20.773 -14.433 1.00 23.23 ? 81 SER A CA 1 ATOM 573 C C . SER A 1 78 ? -10.497 -21.608 -13.319 1.00 21.97 ? 81 SER A C 1 ATOM 574 O O . SER A 1 78 ? -10.535 -22.838 -13.356 1.00 22.63 ? 81 SER A O 1 ATOM 575 C CB . SER A 1 78 ? -12.365 -20.070 -13.949 1.00 27.60 ? 81 SER A CB 1 ATOM 576 O OG . SER A 1 78 ? -13.381 -20.997 -13.610 1.00 31.62 ? 81 SER A OG 1 ATOM 577 N N . MET A 1 79 ? -9.930 -20.931 -12.335 1.00 19.76 ? 82 MET A N 1 ATOM 578 C CA . MET A 1 79 ? -9.433 -21.619 -11.164 1.00 20.21 ? 82 MET A CA 1 ATOM 579 C C . MET A 1 79 ? -9.903 -20.873 -9.932 1.00 18.40 ? 82 MET A C 1 ATOM 580 O O . MET A 1 79 ? -9.981 -19.643 -9.926 1.00 21.49 ? 82 MET A O 1 ATOM 581 C CB . MET A 1 79 ? -7.902 -21.739 -11.205 1.00 21.16 ? 82 MET A CB 1 ATOM 582 C CG . MET A 1 79 ? -7.131 -20.436 -11.001 1.00 24.16 ? 82 MET A CG 1 ATOM 583 S SD . MET A 1 79 ? -7.004 -19.924 -9.276 1.00 29.77 ? 82 MET A SD 1 ATOM 584 C CE . MET A 1 79 ? -6.620 -21.502 -8.546 1.00 11.38 ? 82 MET A CE 1 ATOM 585 N N . GLU A 1 80 ? -10.250 -21.622 -8.893 1.00 15.60 ? 83 GLU A N 1 ATOM 586 C CA . GLU A 1 80 ? -10.494 -21.028 -7.593 1.00 14.67 ? 83 GLU A CA 1 ATOM 587 C C . GLU A 1 80 ? -9.573 -21.725 -6.627 1.00 15.31 ? 83 GLU A C 1 ATOM 588 O O . GLU A 1 80 ? -9.262 -22.894 -6.808 1.00 17.49 ? 83 GLU A O 1 ATOM 589 C CB . GLU A 1 80 ? -11.941 -21.233 -7.132 1.00 24.56 ? 83 GLU A CB 1 ATOM 590 C CG . GLU A 1 80 ? -12.951 -20.436 -7.928 1.00 26.32 ? 83 GLU A CG 1 ATOM 591 C CD . GLU A 1 80 ? -14.369 -20.644 -7.445 1.00 38.41 ? 83 GLU A CD 1 ATOM 592 O OE1 . GLU A 1 80 ? -14.550 -21.243 -6.362 1.00 33.35 ? 83 GLU A OE1 1 ATOM 593 O OE2 . GLU A 1 80 ? -15.300 -20.207 -8.156 1.00 45.06 ? 83 GLU A OE2 1 ATOM 594 N N . GLY A 1 81 ? -9.147 -21.005 -5.603 1.00 14.52 ? 84 GLY A N 1 ATOM 595 C CA . GLY A 1 81 ? -8.228 -21.584 -4.640 1.00 15.88 ? 84 GLY A CA 1 ATOM 596 C C . GLY A 1 81 ? -7.944 -20.673 -3.476 1.00 14.21 ? 84 GLY A C 1 ATOM 597 O O . GLY A 1 81 ? -8.631 -19.670 -3.245 1.00 14.16 ? 84 GLY A O 1 ATOM 598 N N . PHE A 1 82 ? -6.899 -21.023 -2.736 1.00 11.17 ? 85 PHE A N 1 ATOM 599 C CA . PHE A 1 82 ? -6.537 -20.284 -1.542 1.00 12.45 ? 85 PHE A CA 1 ATOM 600 C C . PHE A 1 82 ? -5.058 -19.938 -1.607 1.00 11.12 ? 85 PHE A C 1 ATOM 601 O O . PHE A 1 82 ? -4.322 -20.580 -2.343 1.00 13.70 ? 85 PHE A O 1 ATOM 602 C CB . PHE A 1 82 ? -6.885 -21.085 -0.262 1.00 13.65 ? 85 PHE A CB 1 ATOM 603 C CG . PHE A 1 82 ? -6.193 -22.434 -0.144 1.00 10.70 ? 85 PHE A CG 1 ATOM 604 C CD1 . PHE A 1 82 ? -6.632 -23.539 -0.865 1.00 12.88 ? 85 PHE A CD1 1 ATOM 605 C CD2 . PHE A 1 82 ? -5.117 -22.590 0.728 1.00 14.10 ? 85 PHE A CD2 1 ATOM 606 C CE1 . PHE A 1 82 ? -6.000 -24.778 -0.745 1.00 12.56 ? 85 PHE A CE1 1 ATOM 607 C CE2 . PHE A 1 82 ? -4.483 -23.823 0.867 1.00 13.17 ? 85 PHE A CE2 1 ATOM 608 C CZ . PHE A 1 82 ? -4.921 -24.918 0.140 1.00 13.46 ? 85 PHE A CZ 1 ATOM 609 N N . LEU A 1 83 ? -4.647 -18.914 -0.869 1.00 12.69 ? 86 LEU A N 1 ATOM 610 C CA . LEU A 1 83 ? -3.249 -18.484 -0.882 1.00 10.93 ? 86 LEU A CA 1 ATOM 611 C C . LEU A 1 83 ? -2.504 -18.934 0.364 1.00 13.37 ? 86 LEU A C 1 ATOM 612 O O . LEU A 1 83 ? -3.022 -18.837 1.478 1.00 12.69 ? 86 LEU A O 1 ATOM 613 C CB . LEU A 1 83 ? -3.162 -16.963 -0.997 1.00 11.72 ? 86 LEU A CB 1 ATOM 614 C CG . LEU A 1 83 ? -3.476 -16.432 -2.401 1.00 12.30 ? 86 LEU A CG 1 ATOM 615 C CD1 . LEU A 1 83 ? -3.870 -14.964 -2.359 1.00 15.16 ? 86 LEU A CD1 1 ATOM 616 C CD2 . LEU A 1 83 ? -2.264 -16.640 -3.321 1.00 12.66 ? 86 LEU A CD2 1 ATOM 617 N N . GLY A 1 84 ? -1.276 -19.406 0.185 1.00 12.42 ? 87 GLY A N 1 ATOM 618 C CA . GLY A 1 84 ? -0.406 -19.698 1.315 1.00 15.21 ? 87 GLY A CA 1 ATOM 619 C C . GLY A 1 84 ? 0.970 -19.097 1.057 1.00 13.93 ? 87 GLY A C 1 ATOM 620 O O . GLY A 1 84 ? 1.238 -18.660 -0.050 1.00 18.14 ? 87 GLY A O 1 ATOM 621 N N . TYR A 1 85 ? 1.814 -19.023 2.088 1.00 16.10 ? 88 TYR A N 1 ATOM 622 C CA . TYR A 1 85 ? 3.224 -18.677 1.924 1.00 16.33 ? 88 TYR A CA 1 ATOM 623 C C . TYR A 1 85 ? 4.009 -19.961 1.991 1.00 12.18 ? 88 TYR A C 1 ATOM 624 O O . TYR A 1 85 ? 3.755 -20.795 2.855 1.00 12.69 ? 88 TYR A O 1 ATOM 625 C CB . TYR A 1 85 ? 3.757 -17.833 3.096 1.00 18.28 ? 88 TYR A CB 1 ATOM 626 C CG . TYR A 1 85 ? 3.271 -16.428 3.197 1.00 18.52 ? 88 TYR A CG 1 ATOM 627 C CD1 . TYR A 1 85 ? 3.561 -15.490 2.213 1.00 17.77 ? 88 TYR A CD1 1 ATOM 628 C CD2 . TYR A 1 85 ? 2.549 -16.016 4.309 1.00 23.31 ? 88 TYR A CD2 1 ATOM 629 C CE1 . TYR A 1 85 ? 3.122 -14.184 2.324 1.00 24.52 ? 88 TYR A CE1 1 ATOM 630 C CE2 . TYR A 1 85 ? 2.108 -14.723 4.430 1.00 26.49 ? 88 TYR A CE2 1 ATOM 631 C CZ . TYR A 1 85 ? 2.394 -13.808 3.445 1.00 29.40 ? 88 TYR A CZ 1 ATOM 632 O OH . TYR A 1 85 ? 1.933 -12.517 3.595 1.00 33.74 ? 88 TYR A OH 1 ATOM 633 N N . ASP A 1 86 ? 5.023 -20.090 1.143 1.00 10.70 ? 89 ASP A N 1 ATOM 634 C CA . ASP A 1 86 ? 5.982 -21.174 1.304 1.00 12.18 ? 89 ASP A CA 1 ATOM 635 C C . ASP A 1 86 ? 7.248 -20.816 0.556 1.00 12.79 ? 89 ASP A C 1 ATOM 636 O O . ASP A 1 86 ? 7.322 -19.763 -0.073 1.00 14.48 ? 89 ASP A O 1 ATOM 637 C CB . ASP A 1 86 ? 5.411 -22.516 0.839 1.00 12.82 ? 89 ASP A CB 1 ATOM 638 C CG . ASP A 1 86 ? 5.933 -23.688 1.659 1.00 15.39 ? 89 ASP A CG 1 ATOM 639 O OD1 . ASP A 1 86 ? 7.116 -23.671 2.062 1.00 15.09 ? 89 ASP A OD1 1 ATOM 640 O OD2 . ASP A 1 86 ? 5.164 -24.640 1.894 1.00 15.45 ? 89 ASP A OD2 1 ATOM 641 N N . THR A 1 87 ? 8.254 -21.669 0.671 1.00 11.95 ? 90 THR A N 1 ATOM 642 C CA . THR A 1 87 ? 9.489 -21.493 -0.090 1.00 12.42 ? 90 THR A CA 1 ATOM 643 C C . THR A 1 87 ? 9.354 -22.098 -1.476 1.00 11.72 ? 90 THR A C 1 ATOM 644 O O . THR A 1 87 ? 8.950 -23.247 -1.630 1.00 13.29 ? 90 THR A O 1 ATOM 645 C CB . THR A 1 87 ? 10.666 -22.102 0.671 1.00 14.27 ? 90 THR A CB 1 ATOM 646 O OG1 . THR A 1 87 ? 10.746 -21.465 1.949 1.00 18.06 ? 90 THR A OG1 1 ATOM 647 C CG2 . THR A 1 87 ? 11.991 -21.876 -0.074 1.00 13.20 ? 90 THR A CG2 1 ATOM 648 N N . VAL A 1 88 ? 9.702 -21.311 -2.487 1.00 10.74 ? 91 VAL A N 1 ATOM 649 C CA . VAL A 1 88 ? 9.634 -21.745 -3.880 1.00 11.64 ? 91 VAL A CA 1 ATOM 650 C C . VAL A 1 88 ? 11.014 -21.638 -4.496 1.00 12.14 ? 91 VAL A C 1 ATOM 651 O O . VAL A 1 88 ? 11.650 -20.601 -4.394 1.00 12.47 ? 91 VAL A O 1 ATOM 652 C CB . VAL A 1 88 ? 8.677 -20.855 -4.682 1.00 12.08 ? 91 VAL A CB 1 ATOM 653 C CG1 . VAL A 1 88 ? 8.615 -21.292 -6.147 1.00 13.34 ? 91 VAL A CG1 1 ATOM 654 C CG2 . VAL A 1 88 ? 7.280 -20.922 -4.069 1.00 12.34 ? 91 VAL A CG2 1 ATOM 655 N N . THR A 1 89 ? 11.452 -22.707 -5.144 1.00 12.32 ? 92 THR A N 1 ATOM 656 C CA . THR A 1 89 ? 12.738 -22.690 -5.846 1.00 12.38 ? 92 THR A CA 1 ATOM 657 C C . THR A 1 89 ? 12.520 -22.719 -7.348 1.00 12.81 ? 92 THR A C 1 ATOM 658 O O . THR A 1 89 ? 11.818 -23.595 -7.854 1.00 13.60 ? 92 THR A O 1 ATOM 659 C CB . THR A 1 89 ? 13.595 -23.885 -5.426 1.00 14.24 ? 92 THR A CB 1 ATOM 660 O OG1 . THR A 1 89 ? 13.780 -23.854 -4.001 1.00 16.46 ? 92 THR A OG1 1 ATOM 661 C CG2 . THR A 1 89 ? 14.956 -23.836 -6.113 1.00 17.39 ? 92 THR A CG2 1 ATOM 662 N N . VAL A 1 90 ? 13.128 -21.754 -8.041 1.00 13.15 ? 93 VAL A N 1 ATOM 663 C CA . VAL A 1 90 ? 13.007 -21.625 -9.497 1.00 15.21 ? 93 VAL A CA 1 ATOM 664 C C . VAL A 1 90 ? 14.367 -21.284 -10.086 1.00 21.88 ? 93 VAL A C 1 ATOM 665 O O . VAL A 1 90 ? 14.995 -20.329 -9.657 1.00 20.09 ? 93 VAL A O 1 ATOM 666 C CB . VAL A 1 90 ? 12.126 -20.426 -9.898 1.00 17.79 ? 93 VAL A CB 1 ATOM 667 C CG1 . VAL A 1 90 ? 11.893 -20.438 -11.431 1.00 20.31 ? 93 VAL A CG1 1 ATOM 668 C CG2 . VAL A 1 90 ? 10.827 -20.405 -9.148 1.00 18.06 ? 93 VAL A CG2 1 ATOM 669 N N . SER A 1 91 ? 14.797 -22.003 -11.116 1.00 25.97 ? 94 SER A N 1 ATOM 670 C CA . SER A 1 91 ? 16.028 -21.609 -11.812 1.00 22.15 ? 94 SER A CA 1 ATOM 671 C C . SER A 1 91 ? 17.154 -21.269 -10.837 1.00 28.14 ? 94 SER A C 1 ATOM 672 O O . SER A 1 91 ? 17.796 -20.226 -10.989 1.00 27.44 ? 94 SER A O 1 ATOM 673 C CB . SER A 1 91 ? 15.788 -20.368 -12.691 1.00 28.78 ? 94 SER A CB 1 ATOM 674 O OG . SER A 1 91 ? 14.897 -20.610 -13.768 1.00 29.13 ? 94 SER A OG 1 ATOM 675 N N . ASN A 1 92 ? 17.381 -22.122 -9.837 1.00 24.99 ? 95 ASN A N 1 ATOM 676 C CA . ASN A 1 92 ? 18.480 -21.933 -8.876 1.00 29.41 ? 95 ASN A CA 1 ATOM 677 C C . ASN A 1 92 ? 18.357 -20.752 -7.895 1.00 25.02 ? 95 ASN A C 1 ATOM 678 O O . ASN A 1 92 ? 19.298 -20.424 -7.170 1.00 26.33 ? 95 ASN A O 1 ATOM 679 C CB . ASN A 1 92 ? 19.822 -21.891 -9.605 1.00 40.04 ? 95 ASN A CB 1 ATOM 680 C CG . ASN A 1 92 ? 20.073 -23.147 -10.418 1.00 43.63 ? 95 ASN A CG 1 ATOM 681 O OD1 . ASN A 1 92 ? 19.865 -24.263 -9.937 1.00 45.73 ? 95 ASN A OD1 1 ATOM 682 N ND2 . ASN A 1 92 ? 20.501 -22.972 -11.666 1.00 48.31 ? 95 ASN A ND2 1 ATOM 683 N N . ILE A 1 93 ? 17.197 -20.112 -7.875 1.00 16.96 ? 96 ILE A N 1 ATOM 684 C CA . ILE A 1 93 ? 16.922 -19.071 -6.896 1.00 13.71 ? 96 ILE A CA 1 ATOM 685 C C . ILE A 1 93 ? 15.965 -19.645 -5.865 1.00 14.46 ? 96 ILE A C 1 ATOM 686 O O . ILE A 1 93 ? 14.927 -20.199 -6.225 1.00 15.67 ? 96 ILE A O 1 ATOM 687 C CB . ILE A 1 93 ? 16.241 -17.851 -7.547 1.00 12.67 ? 96 ILE A CB 1 ATOM 688 C CG1 . ILE A 1 93 ? 17.030 -17.375 -8.776 1.00 15.21 ? 96 ILE A CG1 1 ATOM 689 C CG2 . ILE A 1 93 ? 16.028 -16.743 -6.517 1.00 13.77 ? 96 ILE A CG2 1 ATOM 690 C CD1 . ILE A 1 93 ? 18.378 -16.758 -8.444 1.00 17.88 ? 96 ILE A CD1 1 ATOM 691 N N . VAL A 1 94 ? 16.312 -19.539 -4.588 1.00 12.70 ? 97 VAL A N 1 ATOM 692 C CA . VAL A 1 94 ? 15.427 -20.013 -3.518 1.00 11.09 ? 97 VAL A CA 1 ATOM 693 C C . VAL A 1 94 ? 14.687 -18.816 -2.944 1.00 12.71 ? 97 VAL A C 1 ATOM 694 O O . VAL A 1 94 ? 15.297 -17.890 -2.406 1.00 13.62 ? 97 VAL A O 1 ATOM 695 C CB . VAL A 1 94 ? 16.218 -20.749 -2.428 1.00 11.35 ? 97 VAL A CB 1 ATOM 696 C CG1 . VAL A 1 94 ? 15.317 -21.109 -1.271 1.00 12.07 ? 97 VAL A CG1 1 ATOM 697 C CG2 . VAL A 1 94 ? 16.852 -22.008 -3.011 1.00 13.87 ? 97 VAL A CG2 1 ATOM 698 N N . ASP A 1 95 ? 13.359 -18.835 -3.086 1.00 11.59 ? 98 ASP A N 1 ATOM 699 C CA . ASP A 1 95 ? 12.499 -17.686 -2.843 1.00 11.94 ? 98 ASP A CA 1 ATOM 700 C C . ASP A 1 95 ? 11.579 -17.977 -1.648 1.00 12.30 ? 98 ASP A C 1 ATOM 701 O O . ASP A 1 95 ? 10.577 -18.675 -1.777 1.00 12.14 ? 98 ASP A O 1 ATOM 702 C CB . ASP A 1 95 ? 11.676 -17.485 -4.131 1.00 12.64 ? 98 ASP A CB 1 ATOM 703 C CG . ASP A 1 95 ? 10.588 -16.452 -4.002 1.00 12.17 ? 98 ASP A CG 1 ATOM 704 O OD1 . ASP A 1 95 ? 10.687 -15.537 -3.170 1.00 12.23 ? 98 ASP A OD1 1 ATOM 705 O OD2 . ASP A 1 95 ? 9.625 -16.548 -4.811 1.00 12.80 ? 98 ASP A OD2 1 ATOM 706 N N . PRO A 1 96 ? 11.929 -17.467 -0.461 1.00 12.87 ? 99 PRO A N 1 ATOM 707 C CA . PRO A 1 96 ? 11.157 -17.779 0.740 1.00 12.10 ? 99 PRO A CA 1 ATOM 708 C C . PRO A 1 96 ? 9.948 -16.871 0.912 1.00 13.21 ? 99 PRO A C 1 ATOM 709 O O . PRO A 1 96 ? 9.881 -15.800 0.303 1.00 13.67 ? 99 PRO A O 1 ATOM 710 C CB . PRO A 1 96 ? 12.159 -17.458 1.855 1.00 15.79 ? 99 PRO A CB 1 ATOM 711 C CG . PRO A 1 96 ? 12.875 -16.270 1.323 1.00 15.35 ? 99 PRO A CG 1 ATOM 712 C CD . PRO A 1 96 ? 12.985 -16.473 -0.192 1.00 14.77 ? 99 PRO A CD 1 ATOM 713 N N . ASN A 1 97 ? 9.006 -17.287 1.761 1.00 14.63 ? 100 ASN A N 1 ATOM 714 C CA . ASN A 1 97 ? 7.877 -16.419 2.107 1.00 16.88 ? 100 ASN A CA 1 ATOM 715 C C . ASN A 1 97 ? 7.172 -15.923 0.836 1.00 12.39 ? 100 ASN A C 1 ATOM 716 O O . ASN A 1 97 ? 6.830 -14.740 0.725 1.00 13.66 ? 100 ASN A O 1 ATOM 717 C CB . ASN A 1 97 ? 8.337 -15.198 2.918 1.00 21.52 ? 100 ASN A CB 1 ATOM 718 C CG . ASN A 1 97 ? 9.074 -15.567 4.201 1.00 36.91 ? 100 ASN A CG 1 ATOM 719 O OD1 . ASN A 1 97 ? 10.278 -15.825 4.189 1.00 38.72 ? 100 ASN A OD1 1 ATOM 720 N ND2 . ASN A 1 97 ? 8.363 -15.543 5.319 1.00 37.01 ? 100 ASN A ND2 1 ATOM 721 N N . GLN A 1 98 ? 6.996 -16.835 -0.114 1.00 12.47 ? 101 GLN A N 1 ATOM 722 C CA . GLN A 1 98 ? 6.408 -16.527 -1.423 1.00 11.05 ? 101 GLN A CA 1 ATOM 723 C C . GLN A 1 98 ? 4.927 -16.880 -1.398 1.00 12.41 ? 101 GLN A C 1 ATOM 724 O O . GLN A 1 98 ? 4.566 -17.979 -1.001 1.00 11.91 ? 101 GLN A O 1 ATOM 725 C CB . GLN A 1 98 ? 7.096 -17.368 -2.492 1.00 11.60 ? 101 GLN A CB 1 ATOM 726 C CG . GLN A 1 98 ? 6.465 -17.295 -3.894 1.00 9.92 ? 101 GLN A CG 1 ATOM 727 C CD . GLN A 1 98 ? 6.403 -15.878 -4.416 1.00 11.17 ? 101 GLN A CD 1 ATOM 728 O OE1 . GLN A 1 98 ? 7.419 -15.182 -4.486 1.00 12.14 ? 101 GLN A OE1 1 ATOM 729 N NE2 . GLN A 1 98 ? 5.197 -15.427 -4.787 1.00 11.45 ? 101 GLN A NE2 1 ATOM 730 N N . THR A 1 99 ? 4.064 -15.966 -1.830 1.00 11.13 ? 102 THR A N 1 ATOM 731 C CA . THR A 1 99 ? 2.660 -16.351 -1.953 1.00 12.23 ? 102 THR A CA 1 ATOM 732 C C . THR A 1 99 ? 2.492 -17.396 -3.050 1.00 12.47 ? 102 THR A C 1 ATOM 733 O O . THR A 1 99 ? 3.021 -17.254 -4.166 1.00 13.15 ? 102 THR A O 1 ATOM 734 C CB . THR A 1 99 ? 1.725 -15.157 -2.243 1.00 11.56 ? 102 THR A CB 1 ATOM 735 O OG1 . THR A 1 99 ? 2.051 -14.590 -3.517 1.00 12.47 ? 102 THR A OG1 1 ATOM 736 C CG2 . THR A 1 99 ? 1.808 -14.098 -1.163 1.00 12.54 ? 102 THR A CG2 1 ATOM 737 N N . VAL A 1 100 ? 1.755 -18.453 -2.733 1.00 10.33 ? 103 VAL A N 1 ATOM 738 C CA . VAL A 1 100 ? 1.450 -19.496 -3.706 1.00 9.90 ? 103 VAL A CA 1 ATOM 739 C C . VAL A 1 100 ? -0.056 -19.709 -3.739 1.00 11.58 ? 103 VAL A C 1 ATOM 740 O O . VAL A 1 100 ? -0.658 -20.020 -2.704 1.00 12.43 ? 103 VAL A O 1 ATOM 741 C CB . VAL A 1 100 ? 2.102 -20.838 -3.306 1.00 13.16 ? 103 VAL A CB 1 ATOM 742 C CG1 . VAL A 1 100 ? 1.851 -21.912 -4.361 1.00 13.21 ? 103 VAL A CG1 1 ATOM 743 C CG2 . VAL A 1 100 ? 3.602 -20.644 -3.067 1.00 14.17 ? 103 VAL A CG2 1 ATOM 744 N N . GLY A 1 101 ? -0.654 -19.565 -4.919 1.00 10.80 ? 104 GLY A N 1 ATOM 745 C CA . GLY A 1 101 ? -2.052 -19.933 -5.090 1.00 11.69 ? 104 GLY A CA 1 ATOM 746 C C . GLY A 1 101 ? -2.181 -21.444 -5.128 1.00 11.70 ? 104 GLY A C 1 ATOM 747 O O . GLY A 1 101 ? -1.363 -22.145 -5.728 1.00 11.72 ? 104 GLY A O 1 ATOM 748 N N . LEU A 1 102 ? -3.237 -21.955 -4.501 1.00 10.19 ? 105 LEU A N 1 ATOM 749 C CA . LEU A 1 102 ? -3.409 -23.395 -4.395 1.00 10.30 ? 105 LEU A CA 1 ATOM 750 C C . LEU A 1 102 ? -4.831 -23.750 -4.800 1.00 13.12 ? 105 LEU A C 1 ATOM 751 O O . LEU A 1 102 ? -5.781 -23.397 -4.108 1.00 13.71 ? 105 LEU A O 1 ATOM 752 C CB . LEU A 1 102 ? -3.118 -23.857 -2.956 1.00 11.16 ? 105 LEU A CB 1 ATOM 753 C CG . LEU A 1 102 ? -1.649 -23.647 -2.561 1.00 13.23 ? 105 LEU A CG 1 ATOM 754 C CD1 . LEU A 1 102 ? -1.475 -23.876 -1.072 1.00 13.52 ? 105 LEU A CD1 1 ATOM 755 C CD2 . LEU A 1 102 ? -0.740 -24.576 -3.340 1.00 12.40 ? 105 LEU A CD2 1 ATOM 756 N N . SER A 1 103 ? -4.974 -24.423 -5.935 1.00 11.46 ? 106 SER A N 1 ATOM 757 C CA . SER A 1 103 ? -6.312 -24.607 -6.504 1.00 12.90 ? 106 SER A CA 1 ATOM 758 C C . SER A 1 103 ? -7.156 -25.595 -5.704 1.00 15.56 ? 106 SER A C 1 ATOM 759 O O . SER A 1 103 ? -6.657 -26.615 -5.226 1.00 15.52 ? 106 SER A O 1 ATOM 760 C CB . SER A 1 103 ? -6.253 -25.053 -7.971 1.00 14.60 ? 106 SER A CB 1 ATOM 761 O OG . SER A 1 103 ? -6.023 -26.449 -8.070 1.00 16.05 ? 106 SER A OG 1 ATOM 762 N N . THR A 1 104 ? -8.448 -25.289 -5.599 1.00 15.70 ? 107 THR A N 1 ATOM 763 C CA . THR A 1 104 ? -9.432 -26.229 -5.061 1.00 18.27 ? 107 THR A CA 1 ATOM 764 C C . THR A 1 104 ? -10.425 -26.629 -6.151 1.00 23.23 ? 107 THR A C 1 ATOM 765 O O . THR A 1 104 ? -11.076 -27.674 -6.057 1.00 23.77 ? 107 THR A O 1 ATOM 766 C CB . THR A 1 104 ? -10.164 -25.660 -3.829 1.00 17.96 ? 107 THR A CB 1 ATOM 767 O OG1 . THR A 1 104 ? -10.668 -24.345 -4.110 1.00 21.07 ? 107 THR A OG1 1 ATOM 768 C CG2 . THR A 1 104 ? -9.211 -25.579 -2.664 1.00 17.62 ? 107 THR A CG2 1 ATOM 769 N N . GLU A 1 105 ? -10.525 -25.802 -7.188 1.00 19.08 ? 108 GLU A N 1 ATOM 770 C CA . GLU A 1 105 ? -11.231 -26.200 -8.405 1.00 22.74 ? 108 GLU A CA 1 ATOM 771 C C . GLU A 1 105 ? -10.592 -25.629 -9.673 1.00 21.58 ? 108 GLU A C 1 ATOM 772 O O . GLU A 1 105 ? -10.025 -24.532 -9.657 1.00 19.88 ? 108 GLU A O 1 ATOM 773 C CB . GLU A 1 105 ? -12.720 -25.857 -8.329 1.00 26.14 ? 108 GLU A CB 1 ATOM 774 C CG . GLU A 1 105 ? -13.077 -24.423 -8.622 1.00 33.31 ? 108 GLU A CG 1 ATOM 775 C CD . GLU A 1 105 ? -14.560 -24.263 -8.925 1.00 41.86 ? 108 GLU A CD 1 ATOM 776 O OE1 . GLU A 1 105 ? -15.366 -25.034 -8.356 1.00 42.56 ? 108 GLU A OE1 1 ATOM 777 O OE2 . GLU A 1 105 ? -14.917 -23.386 -9.743 1.00 40.52 ? 108 GLU A OE2 1 ATOM 778 N N . GLN A 1 106 ? -10.661 -26.390 -10.762 1.00 20.74 ? 109 GLN A N 1 ATOM 779 C CA . GLN A 1 106 ? -10.087 -25.959 -12.035 1.00 19.60 ? 109 GLN A CA 1 ATOM 780 C C . GLN A 1 106 ? -10.943 -26.351 -13.230 1.00 24.35 ? 109 GLN A C 1 ATOM 781 O O . GLN A 1 106 ? -10.492 -27.106 -14.085 1.00 28.04 ? 109 GLN A O 1 ATOM 782 C CB . GLN A 1 106 ? -8.708 -26.580 -12.252 1.00 24.56 ? 109 GLN A CB 1 ATOM 783 C CG . GLN A 1 106 ? -7.641 -26.077 -11.330 1.00 24.15 ? 109 GLN A CG 1 ATOM 784 C CD . GLN A 1 106 ? -6.327 -26.783 -11.544 1.00 19.36 ? 109 GLN A CD 1 ATOM 785 O OE1 . GLN A 1 106 ? -5.613 -27.061 -10.598 1.00 20.32 ? 109 GLN A OE1 1 ATOM 786 N NE2 . GLN A 1 106 ? -5.998 -27.074 -12.798 1.00 20.77 ? 109 GLN A NE2 1 ATOM 787 N N . PRO A 1 107 ? -12.169 -25.827 -13.305 1.00 25.57 ? 110 PRO A N 1 ATOM 788 C CA . PRO A 1 107 ? -12.997 -26.145 -14.478 1.00 29.29 ? 110 PRO A CA 1 ATOM 789 C C . PRO A 1 107 ? -12.430 -25.573 -15.780 1.00 31.60 ? 110 PRO A C 1 ATOM 790 O O . PRO A 1 107 ? -11.809 -24.510 -15.782 1.00 27.67 ? 110 PRO A O 1 ATOM 791 C CB . PRO A 1 107 ? -14.330 -25.467 -14.148 1.00 30.95 ? 110 PRO A CB 1 ATOM 792 C CG . PRO A 1 107 ? -13.975 -24.371 -13.202 1.00 29.98 ? 110 PRO A CG 1 ATOM 793 C CD . PRO A 1 107 ? -12.848 -24.912 -12.374 1.00 24.91 ? 110 PRO A CD 1 ATOM 794 N N . GLY A 1 108 ? -12.644 -26.273 -16.891 1.00 31.13 ? 111 GLY A N 1 ATOM 795 C CA . GLY A 1 108 ? -12.310 -25.712 -18.187 1.00 34.10 ? 111 GLY A CA 1 ATOM 796 C C . GLY A 1 108 ? -11.385 -26.548 -19.040 1.00 33.75 ? 111 GLY A C 1 ATOM 797 O O . GLY A 1 108 ? -10.504 -27.250 -18.542 1.00 35.60 ? 111 GLY A O 1 ATOM 798 N N . GLU A 1 109 ? -11.580 -26.461 -20.349 1.00 36.32 ? 112 GLU A N 1 ATOM 799 C CA . GLU A 1 109 ? -10.789 -27.242 -21.279 1.00 31.05 ? 112 GLU A CA 1 ATOM 800 C C . GLU A 1 109 ? -9.318 -26.855 -21.257 1.00 29.71 ? 112 GLU A C 1 ATOM 801 O O . GLU A 1 109 ? -8.457 -27.663 -21.603 1.00 32.36 ? 112 GLU A O 1 ATOM 802 C CB . GLU A 1 109 ? -11.352 -27.116 -22.694 1.00 41.52 ? 112 GLU A CB 1 ATOM 803 C CG . GLU A 1 109 ? -12.689 -27.810 -22.867 1.00 40.16 ? 112 GLU A CG 1 ATOM 804 C CD . GLU A 1 109 ? -13.229 -27.682 -24.274 1.00 48.72 ? 112 GLU A CD 1 ATOM 805 O OE1 . GLU A 1 109 ? -12.685 -26.866 -25.048 1.00 53.61 ? 112 GLU A OE1 1 ATOM 806 O OE2 . GLU A 1 109 ? -14.197 -28.400 -24.605 1.00 56.52 ? 112 GLU A OE2 1 ATOM 807 N N . VAL A 1 110 ? -9.014 -25.627 -20.851 1.00 25.15 ? 113 VAL A N 1 ATOM 808 C CA . VAL A 1 110 ? -7.623 -25.206 -20.876 1.00 26.86 ? 113 VAL A CA 1 ATOM 809 C C . VAL A 1 110 ? -6.764 -26.177 -20.062 1.00 26.32 ? 113 VAL A C 1 ATOM 810 O O . VAL A 1 110 ? -5.665 -26.544 -20.481 1.00 26.02 ? 113 VAL A O 1 ATOM 811 C CB . VAL A 1 110 ? -7.433 -23.756 -20.380 1.00 30.76 ? 113 VAL A CB 1 ATOM 812 C CG1 . VAL A 1 110 ? -7.853 -23.627 -18.925 1.00 31.64 ? 113 VAL A CG1 1 ATOM 813 C CG2 . VAL A 1 110 ? -5.984 -23.319 -20.578 1.00 35.34 ? 113 VAL A CG2 1 ATOM 814 N N . PHE A 1 111 ? -7.273 -26.617 -18.917 1.00 24.52 ? 114 PHE A N 1 ATOM 815 C CA . PHE A 1 111 ? -6.475 -27.468 -18.037 1.00 21.34 ? 114 PHE A CA 1 ATOM 816 C C . PHE A 1 111 ? -6.469 -28.918 -18.498 1.00 26.31 ? 114 PHE A C 1 ATOM 817 O O . PHE A 1 111 ? -5.493 -29.641 -18.282 1.00 23.55 ? 114 PHE A O 1 ATOM 818 C CB . PHE A 1 111 ? -6.924 -27.322 -16.575 1.00 21.87 ? 114 PHE A CB 1 ATOM 819 C CG . PHE A 1 111 ? -6.903 -25.904 -16.105 1.00 23.91 ? 114 PHE A CG 1 ATOM 820 C CD1 . PHE A 1 111 ? -5.716 -25.186 -16.118 1.00 21.95 ? 114 PHE A CD1 1 ATOM 821 C CD2 . PHE A 1 111 ? -8.064 -25.268 -15.706 1.00 28.03 ? 114 PHE A CD2 1 ATOM 822 C CE1 . PHE A 1 111 ? -5.687 -23.861 -15.720 1.00 27.61 ? 114 PHE A CE1 1 ATOM 823 C CE2 . PHE A 1 111 ? -8.040 -23.946 -15.297 1.00 24.38 ? 114 PHE A CE2 1 ATOM 824 C CZ . PHE A 1 111 ? -6.852 -23.245 -15.307 1.00 26.05 ? 114 PHE A CZ 1 ATOM 825 N N . THR A 1 112 ? -7.548 -29.328 -19.155 1.00 24.02 ? 115 THR A N 1 ATOM 826 C CA . THR A 1 112 ? -7.640 -30.678 -19.699 1.00 22.90 ? 115 THR A CA 1 ATOM 827 C C . THR A 1 112 ? -6.568 -30.896 -20.752 1.00 22.51 ? 115 THR A C 1 ATOM 828 O O . THR A 1 112 ? -5.991 -31.980 -20.862 1.00 25.95 ? 115 THR A O 1 ATOM 829 C CB . THR A 1 112 ? -9.007 -30.903 -20.367 1.00 28.92 ? 115 THR A CB 1 ATOM 830 O OG1 . THR A 1 112 ? -10.036 -30.832 -19.377 1.00 28.47 ? 115 THR A OG1 1 ATOM 831 C CG2 . THR A 1 112 ? -9.056 -32.265 -21.052 1.00 31.45 ? 115 THR A CG2 1 ATOM 832 N N . TYR A 1 113 ? -6.309 -29.862 -21.542 1.00 23.00 ? 116 TYR A N 1 ATOM 833 C CA . TYR A 1 113 ? -5.449 -30.017 -22.705 1.00 23.89 ? 116 TYR A CA 1 ATOM 834 C C . TYR A 1 113 ? -4.042 -29.452 -22.532 1.00 26.38 ? 116 TYR A C 1 ATOM 835 O O . TYR A 1 113 ? -3.246 -29.459 -23.470 1.00 26.21 ? 116 TYR A O 1 ATOM 836 C CB . TYR A 1 113 ? -6.146 -29.443 -23.939 1.00 25.28 ? 116 TYR A CB 1 ATOM 837 C CG . TYR A 1 113 ? -7.472 -30.121 -24.194 1.00 28.30 ? 116 TYR A CG 1 ATOM 838 C CD1 . TYR A 1 113 ? -7.518 -31.442 -24.627 1.00 23.28 ? 116 TYR A CD1 1 ATOM 839 C CD2 . TYR A 1 113 ? -8.675 -29.460 -23.980 1.00 29.03 ? 116 TYR A CD2 1 ATOM 840 C CE1 . TYR A 1 113 ? -8.722 -32.081 -24.849 1.00 23.94 ? 116 TYR A CE1 1 ATOM 841 C CE2 . TYR A 1 113 ? -9.888 -30.095 -24.205 1.00 32.23 ? 116 TYR A CE2 1 ATOM 842 C CZ . TYR A 1 113 ? -9.899 -31.410 -24.640 1.00 28.16 ? 116 TYR A CZ 1 ATOM 843 O OH . TYR A 1 113 ? -11.087 -32.065 -24.867 1.00 29.55 ? 116 TYR A OH 1 ATOM 844 N N . SER A 1 114 ? -3.736 -28.983 -21.323 1.00 26.48 ? 117 SER A N 1 ATOM 845 C CA . SER A 1 114 ? -2.421 -28.433 -21.024 1.00 26.28 ? 117 SER A CA 1 ATOM 846 C C . SER A 1 114 ? -1.598 -29.408 -20.191 1.00 24.40 ? 117 SER A C 1 ATOM 847 O O . SER A 1 114 ? -2.122 -30.047 -19.285 1.00 24.81 ? 117 SER A O 1 ATOM 848 C CB . SER A 1 114 ? -2.568 -27.112 -20.266 1.00 27.54 ? 117 SER A CB 1 ATOM 849 O OG . SER A 1 114 ? -3.175 -26.129 -21.085 1.00 34.69 ? 117 SER A OG 1 ATOM 850 N N . GLU A 1 115 ? -0.305 -29.507 -20.484 1.00 22.27 ? 118 GLU A N 1 ATOM 851 C CA . GLU A 1 115 ? 0.542 -30.463 -19.778 1.00 25.40 ? 118 GLU A CA 1 ATOM 852 C C . GLU A 1 115 ? 1.066 -29.926 -18.443 1.00 25.41 ? 118 GLU A C 1 ATOM 853 O O . GLU A 1 115 ? 1.455 -30.691 -17.558 1.00 25.13 ? 118 GLU A O 1 ATOM 854 C CB . GLU A 1 115 ? 1.702 -30.906 -20.670 1.00 29.89 ? 118 GLU A CB 1 ATOM 855 C CG . GLU A 1 115 ? 2.241 -32.281 -20.336 1.00 41.55 ? 118 GLU A CG 1 ATOM 856 C CD . GLU A 1 115 ? 2.775 -33.007 -21.557 1.00 46.58 ? 118 GLU A CD 1 ATOM 857 O OE1 . GLU A 1 115 ? 3.434 -32.354 -22.396 1.00 41.11 ? 118 GLU A OE1 1 ATOM 858 O OE2 . GLU A 1 115 ? 2.529 -34.229 -21.680 1.00 48.21 ? 118 GLU A OE2 1 ATOM 859 N N . PHE A 1 116 ? 1.062 -28.611 -18.284 1.00 21.27 ? 119 PHE A N 1 ATOM 860 C CA . PHE A 1 116 ? 1.563 -28.030 -17.039 1.00 16.58 ? 119 PHE A CA 1 ATOM 861 C C . PHE A 1 116 ? 0.645 -28.296 -15.847 1.00 16.26 ? 119 PHE A C 1 ATOM 862 O O . PHE A 1 116 ? -0.561 -28.478 -15.999 1.00 16.81 ? 119 PHE A O 1 ATOM 863 C CB . PHE A 1 116 ? 1.805 -26.517 -17.201 1.00 19.29 ? 119 PHE A CB 1 ATOM 864 C CG . PHE A 1 116 ? 0.580 -25.736 -17.596 1.00 18.85 ? 119 PHE A CG 1 ATOM 865 C CD1 . PHE A 1 116 ? -0.373 -25.383 -16.658 1.00 17.93 ? 119 PHE A CD1 1 ATOM 866 C CD2 . PHE A 1 116 ? 0.386 -25.348 -18.917 1.00 22.69 ? 119 PHE A CD2 1 ATOM 867 C CE1 . PHE A 1 116 ? -1.502 -24.664 -17.018 1.00 19.07 ? 119 PHE A CE1 1 ATOM 868 C CE2 . PHE A 1 116 ? -0.730 -24.622 -19.278 1.00 22.69 ? 119 PHE A CE2 1 ATOM 869 C CZ . PHE A 1 116 ? -1.679 -24.287 -18.338 1.00 21.76 ? 119 PHE A CZ 1 ATOM 870 N N . ASP A 1 117 ? 1.228 -28.290 -14.651 1.00 13.79 ? 120 ASP A N 1 ATOM 871 C CA . ASP A 1 117 ? 0.448 -28.367 -13.423 1.00 13.42 ? 120 ASP A CA 1 ATOM 872 C C . ASP A 1 117 ? -0.113 -26.986 -13.083 1.00 13.89 ? 120 ASP A C 1 ATOM 873 O O . ASP A 1 117 ? -1.283 -26.846 -12.754 1.00 13.44 ? 120 ASP A O 1 ATOM 874 C CB . ASP A 1 117 ? 1.331 -28.828 -12.261 1.00 14.37 ? 120 ASP A CB 1 ATOM 875 C CG . ASP A 1 117 ? 1.879 -30.236 -12.449 1.00 16.92 ? 120 ASP A CG 1 ATOM 876 O OD1 . ASP A 1 117 ? 1.094 -31.140 -12.806 1.00 18.77 ? 120 ASP A OD1 1 ATOM 877 O OD2 . ASP A 1 117 ? 3.094 -30.437 -12.229 1.00 16.62 ? 120 ASP A OD2 1 ATOM 878 N N . GLY A 1 118 ? 0.737 -25.963 -13.166 1.00 13.48 ? 121 GLY A N 1 ATOM 879 C CA . GLY A 1 118 ? 0.339 -24.629 -12.746 1.00 12.78 ? 121 GLY A CA 1 ATOM 880 C C . GLY A 1 118 ? 0.983 -23.549 -13.592 1.00 11.40 ? 121 GLY A C 1 ATOM 881 O O . GLY A 1 118 ? 1.564 -23.840 -14.640 1.00 12.00 ? 121 GLY A O 1 ATOM 882 N N . ILE A 1 119 ? 0.887 -22.305 -13.121 1.00 10.83 ? 122 ILE A N 1 ATOM 883 C CA . ILE A 1 119 ? 1.356 -21.152 -13.889 1.00 12.35 ? 122 ILE A CA 1 ATOM 884 C C . ILE A 1 119 ? 2.217 -20.286 -12.994 1.00 11.43 ? 122 ILE A C 1 ATOM 885 O O . ILE A 1 119 ? 1.881 -20.073 -11.828 1.00 10.83 ? 122 ILE A O 1 ATOM 886 C CB . ILE A 1 119 ? 0.168 -20.304 -14.407 1.00 12.58 ? 122 ILE A CB 1 ATOM 887 C CG1 . ILE A 1 119 ? -0.730 -21.171 -15.294 1.00 16.04 ? 122 ILE A CG1 1 ATOM 888 C CG2 . ILE A 1 119 ? 0.663 -19.052 -15.155 1.00 12.53 ? 122 ILE A CG2 1 ATOM 889 C CD1 . ILE A 1 119 ? -1.986 -20.478 -15.763 1.00 19.14 ? 122 ILE A CD1 1 ATOM 890 N N . LEU A 1 120 ? 3.334 -19.802 -13.534 1.00 10.99 ? 123 LEU A N 1 ATOM 891 C CA . LEU A 1 120 ? 4.154 -18.839 -12.817 1.00 9.76 ? 123 LEU A CA 1 ATOM 892 C C . LEU A 1 120 ? 4.234 -17.562 -13.654 1.00 10.94 ? 123 LEU A C 1 ATOM 893 O O . LEU A 1 120 ? 4.931 -17.516 -14.674 1.00 10.37 ? 123 LEU A O 1 ATOM 894 C CB . LEU A 1 120 ? 5.544 -19.422 -12.539 1.00 11.38 ? 123 LEU A CB 1 ATOM 895 C CG . LEU A 1 120 ? 6.427 -18.639 -11.554 1.00 11.37 ? 123 LEU A CG 1 ATOM 896 C CD1 . LEU A 1 120 ? 7.497 -19.538 -10.947 1.00 13.67 ? 123 LEU A CD1 1 ATOM 897 C CD2 . LEU A 1 120 ? 7.056 -17.413 -12.202 1.00 12.44 ? 123 LEU A CD2 1 ATOM 898 N N . GLY A 1 121 ? 3.501 -16.536 -13.230 1.00 8.72 ? 124 GLY A N 1 ATOM 899 C CA . GLY A 1 121 ? 3.440 -15.280 -13.974 1.00 9.46 ? 124 GLY A CA 1 ATOM 900 C C . GLY A 1 121 ? 4.671 -14.421 -13.748 1.00 10.63 ? 124 GLY A C 1 ATOM 901 O O . GLY A 1 121 ? 5.211 -14.365 -12.643 1.00 11.10 ? 124 GLY A O 1 ATOM 902 N N . LEU A 1 122 ? 5.110 -13.748 -14.803 1.00 10.70 ? 125 LEU A N 1 ATOM 903 C CA . LEU A 1 122 ? 6.332 -12.938 -14.788 1.00 10.84 ? 125 LEU A CA 1 ATOM 904 C C . LEU A 1 122 ? 6.067 -11.488 -15.206 1.00 10.99 ? 125 LEU A C 1 ATOM 905 O O . LEU A 1 122 ? 7.009 -10.745 -15.480 1.00 12.03 ? 125 LEU A O 1 ATOM 906 C CB . LEU A 1 122 ? 7.377 -13.571 -15.716 1.00 11.10 ? 125 LEU A CB 1 ATOM 907 C CG . LEU A 1 122 ? 7.957 -14.883 -15.177 1.00 9.34 ? 125 LEU A CG 1 ATOM 908 C CD1 . LEU A 1 122 ? 8.705 -15.619 -16.301 1.00 11.75 ? 125 LEU A CD1 1 ATOM 909 C CD2 . LEU A 1 122 ? 8.883 -14.581 -14.011 1.00 11.63 ? 125 LEU A CD2 1 ATOM 910 N N . ALA A 1 123 ? 4.793 -11.089 -15.276 1.00 10.92 ? 126 ALA A N 1 ATOM 911 C CA . ALA A 1 123 ? 4.454 -9.699 -15.603 1.00 10.17 ? 126 ALA A CA 1 ATOM 912 C C . ALA A 1 123 ? 4.445 -8.786 -14.363 1.00 11.48 ? 126 ALA A C 1 ATOM 913 O O . ALA A 1 123 ? 4.925 -9.172 -13.287 1.00 11.24 ? 126 ALA A O 1 ATOM 914 C CB . ALA A 1 123 ? 3.129 -9.626 -16.377 1.00 9.63 ? 126 ALA A CB 1 ATOM 915 N N . TYR A 1 124 ? 3.947 -7.560 -14.521 1.00 11.33 ? 127 TYR A N 1 ATOM 916 C CA . TYR A 1 124 ? 4.036 -6.564 -13.446 1.00 11.96 ? 127 TYR A CA 1 ATOM 917 C C . TYR A 1 124 ? 3.023 -6.804 -12.340 1.00 10.77 ? 127 TYR A C 1 ATOM 918 O O . TYR A 1 124 ? 1.998 -7.430 -12.563 1.00 13.07 ? 127 TYR A O 1 ATOM 919 C CB . TYR A 1 124 ? 3.818 -5.161 -14.009 1.00 11.92 ? 127 TYR A CB 1 ATOM 920 C CG . TYR A 1 124 ? 5.002 -4.554 -14.732 1.00 11.54 ? 127 TYR A CG 1 ATOM 921 C CD1 . TYR A 1 124 ? 5.258 -4.846 -16.067 1.00 11.95 ? 127 TYR A CD1 1 ATOM 922 C CD2 . TYR A 1 124 ? 5.845 -3.663 -14.073 1.00 11.88 ? 127 TYR A CD2 1 ATOM 923 C CE1 . TYR A 1 124 ? 6.339 -4.261 -16.734 1.00 12.60 ? 127 TYR A CE1 1 ATOM 924 C CE2 . TYR A 1 124 ? 6.913 -3.080 -14.713 1.00 12.81 ? 127 TYR A CE2 1 ATOM 925 C CZ . TYR A 1 124 ? 7.162 -3.376 -16.042 1.00 11.65 ? 127 TYR A CZ 1 ATOM 926 O OH . TYR A 1 124 ? 8.218 -2.789 -16.708 1.00 13.83 ? 127 TYR A OH 1 ATOM 927 N N . PRO A 1 125 ? 3.300 -6.292 -11.133 1.00 11.84 ? 128 PRO A N 1 ATOM 928 C CA . PRO A 1 125 ? 2.389 -6.556 -10.012 1.00 11.27 ? 128 PRO A CA 1 ATOM 929 C C . PRO A 1 125 ? 1.005 -5.941 -10.195 1.00 12.98 ? 128 PRO A C 1 ATOM 930 O O . PRO A 1 125 ? 0.068 -6.385 -9.530 1.00 16.39 ? 128 PRO A O 1 ATOM 931 C CB . PRO A 1 125 ? 3.119 -5.942 -8.805 1.00 16.13 ? 128 PRO A CB 1 ATOM 932 C CG . PRO A 1 125 ? 4.196 -5.069 -9.375 1.00 15.37 ? 128 PRO A CG 1 ATOM 933 C CD . PRO A 1 125 ? 4.563 -5.670 -10.695 1.00 12.71 ? 128 PRO A CD 1 ATOM 934 N N . SER A 1 126 ? 0.874 -4.965 -11.087 1.00 14.06 ? 129 SER A N 1 ATOM 935 C CA . SER A 1 126 ? -0.432 -4.382 -11.388 1.00 15.78 ? 129 SER A CA 1 ATOM 936 C C . SER A 1 126 ? -1.413 -5.431 -11.906 1.00 18.87 ? 129 SER A C 1 ATOM 937 O O . SER A 1 126 ? -2.630 -5.262 -11.781 1.00 19.58 ? 129 SER A O 1 ATOM 938 C CB . SER A 1 126 ? -0.280 -3.250 -12.399 1.00 15.74 ? 129 SER A CB 1 ATOM 939 O OG . SER A 1 126 ? 0.439 -3.710 -13.529 1.00 16.57 ? 129 SER A OG 1 ATOM 940 N N . LEU A 1 127 ? -0.899 -6.518 -12.484 1.00 14.00 ? 130 LEU A N 1 ATOM 941 C CA . LEU A 1 127 ? -1.772 -7.587 -12.965 1.00 15.24 ? 130 LEU A CA 1 ATOM 942 C C . LEU A 1 127 ? -1.945 -8.733 -11.971 1.00 14.10 ? 130 LEU A C 1 ATOM 943 O O . LEU A 1 127 ? -2.679 -9.685 -12.234 1.00 16.43 ? 130 LEU A O 1 ATOM 944 C CB . LEU A 1 127 ? -1.271 -8.154 -14.292 1.00 14.85 ? 130 LEU A CB 1 ATOM 945 C CG . LEU A 1 127 ? -1.275 -7.208 -15.493 1.00 18.76 ? 130 LEU A CG 1 ATOM 946 C CD1 . LEU A 1 127 ? -0.849 -7.980 -16.730 1.00 19.21 ? 130 LEU A CD1 1 ATOM 947 C CD2 . LEU A 1 127 ? -2.659 -6.592 -15.694 1.00 19.87 ? 130 LEU A CD2 1 ATOM 948 N N . ALA A 1 128 ? -1.278 -8.651 -10.827 1.00 13.87 ? 131 ALA A N 1 ATOM 949 C CA . ALA A 1 128 ? -1.401 -9.716 -9.842 1.00 13.23 ? 131 ALA A CA 1 ATOM 950 C C . ALA A 1 128 ? -2.775 -9.664 -9.202 1.00 14.24 ? 131 ALA A C 1 ATOM 951 O O . ALA A 1 128 ? -3.368 -8.590 -9.062 1.00 16.46 ? 131 ALA A O 1 ATOM 952 C CB . ALA A 1 128 ? -0.334 -9.583 -8.785 1.00 15.06 ? 131 ALA A CB 1 ATOM 953 N N . SER A 1 129 ? -3.269 -10.825 -8.805 1.00 13.64 ? 132 SER A N 1 ATOM 954 C CA . SER A 1 129 ? -4.521 -10.867 -8.057 1.00 13.07 ? 132 SER A CA 1 ATOM 955 C C . SER A 1 129 ? -4.342 -10.230 -6.691 1.00 18.39 ? 132 SER A C 1 ATOM 956 O O . SER A 1 129 ? -3.225 -10.116 -6.174 1.00 13.04 ? 132 SER A O 1 ATOM 957 C CB . SER A 1 129 ? -4.996 -12.316 -7.902 1.00 16.08 ? 132 SER A CB 1 ATOM 958 O OG . SER A 1 129 ? -5.282 -12.891 -9.171 1.00 18.83 ? 132 SER A OG 1 ATOM 959 N N . GLU A 1 130 ? -5.442 -9.824 -6.075 1.00 13.93 ? 133 GLU A N 1 ATOM 960 C CA . GLU A 1 130 ? -5.339 -9.252 -4.746 1.00 15.31 ? 133 GLU A CA 1 ATOM 961 C C . GLU A 1 130 ? -4.670 -10.281 -3.818 1.00 15.16 ? 133 GLU A C 1 ATOM 962 O O . GLU A 1 130 ? -4.931 -11.485 -3.916 1.00 17.26 ? 133 GLU A O 1 ATOM 963 C CB . GLU A 1 130 ? -6.726 -8.829 -4.224 1.00 16.88 ? 133 GLU A CB 1 ATOM 964 C CG . GLU A 1 130 ? -6.662 -7.869 -3.056 1.00 21.60 ? 133 GLU A CG 1 ATOM 965 C CD . GLU A 1 130 ? -8.032 -7.377 -2.617 1.00 28.37 ? 133 GLU A CD 1 ATOM 966 O OE1 . GLU A 1 130 ? -9.051 -7.899 -3.116 1.00 27.56 ? 133 GLU A OE1 1 ATOM 967 O OE2 . GLU A 1 130 ? -8.077 -6.468 -1.769 1.00 32.04 ? 133 GLU A OE2 1 ATOM 968 N N . TYR A 1 131 ? -3.770 -9.799 -2.972 1.00 15.21 ? 134 TYR A N 1 ATOM 969 C CA . TYR A 1 131 ? -3.081 -10.607 -1.959 1.00 16.00 ? 134 TYR A CA 1 ATOM 970 C C . TYR A 1 131 ? -1.992 -11.514 -2.524 1.00 14.80 ? 134 TYR A C 1 ATOM 971 O O . TYR A 1 131 ? -1.327 -12.229 -1.771 1.00 15.05 ? 134 TYR A O 1 ATOM 972 C CB . TYR A 1 131 ? -4.063 -11.441 -1.118 1.00 15.03 ? 134 TYR A CB 1 ATOM 973 C CG . TYR A 1 131 ? -5.258 -10.660 -0.607 1.00 13.96 ? 134 TYR A CG 1 ATOM 974 C CD1 . TYR A 1 131 ? -5.097 -9.629 0.305 1.00 18.95 ? 134 TYR A CD1 1 ATOM 975 C CD2 . TYR A 1 131 ? -6.543 -10.971 -1.038 1.00 16.17 ? 134 TYR A CD2 1 ATOM 976 C CE1 . TYR A 1 131 ? -6.185 -8.914 0.773 1.00 18.68 ? 134 TYR A CE1 1 ATOM 977 C CE2 . TYR A 1 131 ? -7.637 -10.262 -0.570 1.00 18.11 ? 134 TYR A CE2 1 ATOM 978 C CZ . TYR A 1 131 ? -7.446 -9.236 0.334 1.00 20.39 ? 134 TYR A CZ 1 ATOM 979 O OH . TYR A 1 131 ? -8.535 -8.521 0.808 1.00 21.77 ? 134 TYR A OH 1 ATOM 980 N N . SER A 1 132 ? -1.827 -11.487 -3.845 1.00 13.70 ? 135 SER A N 1 ATOM 981 C CA . SER A 1 132 ? -0.820 -12.304 -4.528 1.00 13.75 ? 135 SER A CA 1 ATOM 982 C C . SER A 1 132 ? 0.387 -11.441 -4.874 1.00 15.22 ? 135 SER A C 1 ATOM 983 O O . SER A 1 132 ? 0.243 -10.332 -5.388 1.00 16.24 ? 135 SER A O 1 ATOM 984 C CB . SER A 1 132 ? -1.415 -12.909 -5.804 1.00 14.12 ? 135 SER A CB 1 ATOM 985 O OG . SER A 1 132 ? -0.438 -13.619 -6.560 1.00 16.73 ? 135 SER A OG 1 ATOM 986 N N . VAL A 1 133 ? 1.579 -11.945 -4.575 1.00 12.91 ? 136 VAL A N 1 ATOM 987 C CA . VAL A 1 133 ? 2.814 -11.246 -4.902 1.00 13.27 ? 136 VAL A CA 1 ATOM 988 C C . VAL A 1 133 ? 3.564 -12.009 -6.003 1.00 11.44 ? 136 VAL A C 1 ATOM 989 O O . VAL A 1 133 ? 3.851 -13.194 -5.851 1.00 12.33 ? 136 VAL A O 1 ATOM 990 C CB . VAL A 1 133 ? 3.708 -11.152 -3.653 1.00 12.23 ? 136 VAL A CB 1 ATOM 991 C CG1 . VAL A 1 133 ? 5.033 -10.500 -4.006 1.00 14.91 ? 136 VAL A CG1 1 ATOM 992 C CG2 . VAL A 1 133 ? 3.001 -10.362 -2.571 1.00 14.74 ? 136 VAL A CG2 1 ATOM 993 N N . PRO A 1 134 ? 3.861 -11.345 -7.130 1.00 11.22 ? 137 PRO A N 1 ATOM 994 C CA . PRO A 1 134 ? 4.539 -12.092 -8.198 1.00 9.84 ? 137 PRO A CA 1 ATOM 995 C C . PRO A 1 134 ? 5.889 -12.626 -7.727 1.00 11.42 ? 137 PRO A C 1 ATOM 996 O O . PRO A 1 134 ? 6.557 -11.952 -6.956 1.00 10.59 ? 137 PRO A O 1 ATOM 997 C CB . PRO A 1 134 ? 4.725 -11.037 -9.300 1.00 11.90 ? 137 PRO A CB 1 ATOM 998 C CG . PRO A 1 134 ? 3.634 -10.019 -9.032 1.00 11.45 ? 137 PRO A CG 1 ATOM 999 C CD . PRO A 1 134 ? 3.539 -9.962 -7.523 1.00 9.87 ? 137 PRO A CD 1 ATOM 1000 N N . VAL A 1 135 ? 6.253 -13.817 -8.182 1.00 10.25 ? 138 VAL A N 1 ATOM 1001 C CA . VAL A 1 135 ? 7.515 -14.440 -7.790 1.00 10.56 ? 138 VAL A CA 1 ATOM 1002 C C . VAL A 1 135 ? 8.715 -13.533 -8.013 1.00 9.93 ? 138 VAL A C 1 ATOM 1003 O O . VAL A 1 135 ? 9.529 -13.349 -7.104 1.00 9.72 ? 138 VAL A O 1 ATOM 1004 C CB . VAL A 1 135 ? 7.717 -15.773 -8.510 1.00 10.48 ? 138 VAL A CB 1 ATOM 1005 C CG1 . VAL A 1 135 ? 9.148 -16.285 -8.332 1.00 11.59 ? 138 VAL A CG1 1 ATOM 1006 C CG2 . VAL A 1 135 ? 6.686 -16.804 -8.020 1.00 12.98 ? 138 VAL A CG2 1 ATOM 1007 N N . PHE A 1 136 ? 8.839 -12.949 -9.203 1.00 10.61 ? 139 PHE A N 1 ATOM 1008 C CA . PHE A 1 136 ? 10.023 -12.128 -9.464 1.00 9.97 ? 139 PHE A CA 1 ATOM 1009 C C . PHE A 1 136 ? 10.048 -10.864 -8.609 1.00 10.41 ? 139 PHE A C 1 ATOM 1010 O O . PHE A 1 136 ? 11.109 -10.387 -8.212 1.00 11.49 ? 139 PHE A O 1 ATOM 1011 C CB . PHE A 1 136 ? 10.170 -11.793 -10.952 1.00 10.46 ? 139 PHE A CB 1 ATOM 1012 C CG . PHE A 1 136 ? 11.542 -11.297 -11.312 1.00 9.55 ? 139 PHE A CG 1 ATOM 1013 C CD1 . PHE A 1 136 ? 12.615 -12.156 -11.250 1.00 12.14 ? 139 PHE A CD1 1 ATOM 1014 C CD2 . PHE A 1 136 ? 11.743 -9.985 -11.704 1.00 12.49 ? 139 PHE A CD2 1 ATOM 1015 C CE1 . PHE A 1 136 ? 13.898 -11.706 -11.558 1.00 12.37 ? 139 PHE A CE1 1 ATOM 1016 C CE2 . PHE A 1 136 ? 13.027 -9.530 -12.028 1.00 13.29 ? 139 PHE A CE2 1 ATOM 1017 C CZ . PHE A 1 136 ? 14.093 -10.401 -11.948 1.00 13.60 ? 139 PHE A CZ 1 ATOM 1018 N N . ASP A 1 137 ? 8.882 -10.313 -8.310 1.00 9.81 ? 140 ASP A N 1 ATOM 1019 C CA . ASP A 1 137 ? 8.808 -9.209 -7.366 1.00 10.41 ? 140 ASP A CA 1 ATOM 1020 C C . ASP A 1 137 ? 9.312 -9.582 -5.974 1.00 11.03 ? 140 ASP A C 1 ATOM 1021 O O . ASP A 1 137 ? 10.063 -8.812 -5.373 1.00 12.77 ? 140 ASP A O 1 ATOM 1022 C CB . ASP A 1 137 ? 7.386 -8.646 -7.307 1.00 11.12 ? 140 ASP A CB 1 ATOM 1023 C CG . ASP A 1 137 ? 7.089 -7.744 -8.481 1.00 12.11 ? 140 ASP A CG 1 ATOM 1024 O OD1 . ASP A 1 137 ? 6.775 -8.282 -9.555 1.00 13.34 ? 140 ASP A OD1 1 ATOM 1025 O OD2 . ASP A 1 137 ? 7.185 -6.508 -8.324 1.00 14.79 ? 140 ASP A OD2 1 ATOM 1026 N N . ASN A 1 138 ? 8.908 -10.742 -5.464 1.00 10.52 ? 141 ASN A N 1 ATOM 1027 C CA . ASN A 1 138 ? 9.381 -11.174 -4.158 1.00 10.63 ? 141 ASN A CA 1 ATOM 1028 C C . ASN A 1 138 ? 10.891 -11.359 -4.209 1.00 13.04 ? 141 ASN A C 1 ATOM 1029 O O . ASN A 1 138 ? 11.599 -10.965 -3.274 1.00 13.07 ? 141 ASN A O 1 ATOM 1030 C CB . ASN A 1 138 ? 8.697 -12.464 -3.709 1.00 11.94 ? 141 ASN A CB 1 ATOM 1031 C CG . ASN A 1 138 ? 8.655 -12.598 -2.202 1.00 13.57 ? 141 ASN A CG 1 ATOM 1032 O OD1 . ASN A 1 138 ? 8.254 -11.666 -1.491 1.00 20.24 ? 141 ASN A OD1 1 ATOM 1033 N ND2 . ASN A 1 138 ? 9.067 -13.752 -1.700 1.00 14.28 ? 141 ASN A ND2 1 ATOM 1034 N N . MET A 1 139 ? 11.391 -11.919 -5.309 1.00 10.89 ? 142 MET A N 1 ATOM 1035 C CA . MET A 1 139 ? 12.842 -12.118 -5.440 1.00 10.97 ? 142 MET A CA 1 ATOM 1036 C C . MET A 1 139 ? 13.583 -10.786 -5.455 1.00 14.50 ? 142 MET A C 1 ATOM 1037 O O . MET A 1 139 ? 14.628 -10.647 -4.802 1.00 13.50 ? 142 MET A O 1 ATOM 1038 C CB . MET A 1 139 ? 13.189 -12.915 -6.699 1.00 10.53 ? 142 MET A CB 1 ATOM 1039 C CG . MET A 1 139 ? 12.743 -14.365 -6.651 1.00 13.82 ? 142 MET A CG 1 ATOM 1040 S SD . MET A 1 139 ? 12.992 -15.153 -8.257 1.00 12.56 ? 142 MET A SD 1 ATOM 1041 C CE . MET A 1 139 ? 12.615 -16.840 -7.820 1.00 12.23 ? 142 MET A CE 1 ATOM 1042 N N . MET A 1 140 ? 13.059 -9.804 -6.193 1.00 11.73 ? 143 MET A N 1 ATOM 1043 C CA . MET A 1 140 ? 13.680 -8.483 -6.206 1.00 12.83 ? 143 MET A CA 1 ATOM 1044 C C . MET A 1 140 ? 13.637 -7.844 -4.829 1.00 13.22 ? 143 MET A C 1 ATOM 1045 O O . MET A 1 140 ? 14.628 -7.253 -4.392 1.00 15.03 ? 143 MET A O 1 ATOM 1046 C CB . MET A 1 140 ? 13.017 -7.559 -7.229 1.00 12.52 ? 143 MET A CB 1 ATOM 1047 C CG . MET A 1 140 ? 13.311 -7.952 -8.663 1.00 12.86 ? 143 MET A CG 1 ATOM 1048 S SD . MET A 1 140 ? 12.714 -6.704 -9.821 1.00 15.55 ? 143 MET A SD 1 ATOM 1049 C CE . MET A 1 140 ? 10.941 -6.943 -9.650 1.00 13.50 ? 143 MET A CE 1 ATOM 1050 N N . ASP A 1 141 ? 12.489 -7.956 -4.158 1.00 12.90 ? 144 ASP A N 1 ATOM 1051 C CA . ASP A 1 141 ? 12.285 -7.318 -2.862 1.00 13.83 ? 144 ASP A CA 1 ATOM 1052 C C . ASP A 1 141 ? 13.239 -7.859 -1.806 1.00 15.02 ? 144 ASP A C 1 ATOM 1053 O O . ASP A 1 141 ? 13.663 -7.125 -0.903 1.00 18.14 ? 144 ASP A O 1 ATOM 1054 C CB . ASP A 1 141 ? 10.852 -7.534 -2.374 1.00 14.42 ? 144 ASP A CB 1 ATOM 1055 C CG . ASP A 1 141 ? 9.825 -6.786 -3.198 1.00 19.94 ? 144 ASP A CG 1 ATOM 1056 O OD1 . ASP A 1 141 ? 10.190 -5.869 -3.955 1.00 22.45 ? 144 ASP A OD1 1 ATOM 1057 O OD2 . ASP A 1 141 ? 8.630 -7.116 -3.061 1.00 23.81 ? 144 ASP A OD2 1 ATOM 1058 N N . ARG A 1 142 ? 13.544 -9.145 -1.905 1.00 12.13 ? 145 ARG A N 1 ATOM 1059 C CA . ARG A 1 142 ? 14.432 -9.809 -0.949 1.00 12.57 ? 145 ARG A CA 1 ATOM 1060 C C . ARG A 1 142 ? 15.885 -9.794 -1.408 1.00 15.96 ? 145 ARG A C 1 ATOM 1061 O O . ARG A 1 142 ? 16.753 -10.303 -0.711 1.00 15.06 ? 145 ARG A O 1 ATOM 1062 C CB . ARG A 1 142 ? 13.970 -11.247 -0.699 1.00 14.85 ? 145 ARG A CB 1 ATOM 1063 C CG . ARG A 1 142 ? 12.569 -11.306 -0.062 1.00 19.00 ? 145 ARG A CG 1 ATOM 1064 C CD . ARG A 1 142 ? 12.200 -12.703 0.392 1.00 21.07 ? 145 ARG A CD 1 ATOM 1065 N NE . ARG A 1 142 ? 12.815 -12.998 1.677 1.00 39.20 ? 145 ARG A NE 1 ATOM 1066 C CZ . ARG A 1 142 ? 12.220 -12.818 2.851 1.00 26.67 ? 145 ARG A CZ 1 ATOM 1067 N NH1 . ARG A 1 142 ? 10.975 -12.355 2.914 1.00 37.00 ? 145 ARG A NH1 1 ATOM 1068 N NH2 . ARG A 1 142 ? 12.874 -13.103 3.956 1.00 30.72 ? 145 ARG A NH2 1 ATOM 1069 N N . HIS A 1 143 ? 16.134 -9.231 -2.585 1.00 13.57 ? 146 HIS A N 1 ATOM 1070 C CA . HIS A 1 143 ? 17.487 -9.101 -3.131 1.00 13.62 ? 146 HIS A CA 1 ATOM 1071 C C . HIS A 1 143 ? 18.161 -10.426 -3.423 1.00 15.37 ? 146 HIS A C 1 ATOM 1072 O O . HIS A 1 143 ? 19.358 -10.614 -3.170 1.00 16.39 ? 146 HIS A O 1 ATOM 1073 C CB . HIS A 1 143 ? 18.342 -8.187 -2.241 1.00 14.00 ? 146 HIS A CB 1 ATOM 1074 C CG . HIS A 1 143 ? 17.755 -6.821 -2.104 1.00 14.57 ? 146 HIS A CG 1 ATOM 1075 N ND1 . HIS A 1 143 ? 17.972 -5.828 -3.033 1.00 19.14 ? 146 HIS A ND1 1 ATOM 1076 C CD2 . HIS A 1 143 ? 16.890 -6.311 -1.197 1.00 19.13 ? 146 HIS A CD2 1 ATOM 1077 C CE1 . HIS A 1 143 ? 17.296 -4.748 -2.681 1.00 18.94 ? 146 HIS A CE1 1 ATOM 1078 N NE2 . HIS A 1 143 ? 16.626 -5.016 -1.578 1.00 22.42 ? 146 HIS A NE2 1 ATOM 1079 N N . LEU A 1 144 ? 17.393 -11.337 -4.014 1.00 13.26 ? 147 LEU A N 1 ATOM 1080 C CA . LEU A 1 144 ? 17.866 -12.685 -4.300 1.00 12.46 ? 147 LEU A CA 1 ATOM 1081 C C . LEU A 1 144 ? 18.347 -12.861 -5.741 1.00 11.95 ? 147 LEU A C 1 ATOM 1082 O O . LEU A 1 144 ? 18.754 -13.949 -6.137 1.00 14.55 ? 147 LEU A O 1 ATOM 1083 C CB . LEU A 1 144 ? 16.761 -13.697 -3.993 1.00 12.51 ? 147 LEU A CB 1 ATOM 1084 C CG . LEU A 1 144 ? 16.323 -13.751 -2.525 1.00 14.05 ? 147 LEU A CG 1 ATOM 1085 C CD1 . LEU A 1 144 ? 14.990 -14.478 -2.320 1.00 15.81 ? 147 LEU A CD1 1 ATOM 1086 C CD2 . LEU A 1 144 ? 17.407 -14.417 -1.710 1.00 15.68 ? 147 LEU A CD2 1 ATOM 1087 N N . VAL A 1 145 ? 18.268 -11.787 -6.520 1.00 12.87 ? 148 VAL A N 1 ATOM 1088 C CA . VAL A 1 145 ? 18.725 -11.793 -7.908 1.00 14.68 ? 148 VAL A CA 1 ATOM 1089 C C . VAL A 1 145 ? 19.835 -10.772 -8.140 1.00 12.81 ? 148 VAL A C 1 ATOM 1090 O O . VAL A 1 145 ? 19.830 -9.683 -7.566 1.00 17.84 ? 148 VAL A O 1 ATOM 1091 C CB . VAL A 1 145 ? 17.545 -11.572 -8.902 1.00 14.79 ? 148 VAL A CB 1 ATOM 1092 C CG1 . VAL A 1 145 ? 16.700 -12.836 -9.008 1.00 14.20 ? 148 VAL A CG1 1 ATOM 1093 C CG2 . VAL A 1 145 ? 16.697 -10.365 -8.493 1.00 16.45 ? 148 VAL A CG2 1 ATOM 1094 N N . ALA A 1 146 ? 20.783 -11.128 -9.000 1.00 15.36 ? 149 ALA A N 1 ATOM 1095 C CA . ALA A 1 146 ? 21.948 -10.282 -9.223 1.00 17.67 ? 149 ALA A CA 1 ATOM 1096 C C . ALA A 1 146 ? 21.562 -8.938 -9.846 1.00 19.37 ? 149 ALA A C 1 ATOM 1097 O O . ALA A 1 146 ? 22.087 -7.885 -9.459 1.00 20.41 ? 149 ALA A O 1 ATOM 1098 C CB . ALA A 1 146 ? 22.962 -11.009 -10.071 1.00 18.19 ? 149 ALA A CB 1 ATOM 1099 N N . ARG A 1 147 ? 20.630 -8.976 -10.801 1.00 17.20 ? 150 ARG A N 1 ATOM 1100 C CA . ARG A 1 147 ? 20.092 -7.765 -11.416 1.00 15.04 ? 150 ARG A CA 1 ATOM 1101 C C . ARG A 1 147 ? 18.582 -7.916 -11.465 1.00 14.54 ? 150 ARG A C 1 ATOM 1102 O O . ARG A 1 147 ? 18.084 -9.041 -11.454 1.00 15.17 ? 150 ARG A O 1 ATOM 1103 C CB . ARG A 1 147 ? 20.626 -7.595 -12.844 1.00 17.51 ? 150 ARG A CB 1 ATOM 1104 C CG . ARG A 1 147 ? 22.145 -7.550 -12.917 1.00 23.17 ? 150 ARG A CG 1 ATOM 1105 C CD . ARG A 1 147 ? 22.648 -7.732 -14.340 1.00 25.56 ? 150 ARG A CD 1 ATOM 1106 N NE . ARG A 1 147 ? 22.377 -6.563 -15.164 1.00 27.89 ? 150 ARG A NE 1 ATOM 1107 C CZ . ARG A 1 147 ? 22.720 -6.460 -16.448 1.00 28.35 ? 150 ARG A CZ 1 ATOM 1108 N NH1 . ARG A 1 147 ? 23.344 -7.460 -17.057 1.00 29.15 ? 150 ARG A NH1 1 ATOM 1109 N NH2 . ARG A 1 147 ? 22.433 -5.359 -17.120 1.00 29.11 ? 150 ARG A NH2 1 ATOM 1110 N N . ASP A 1 148 ? 17.868 -6.794 -11.532 1.00 15.44 ? 151 ASP A N 1 ATOM 1111 C CA . ASP A 1 148 ? 16.403 -6.816 -11.538 1.00 13.41 ? 151 ASP A CA 1 ATOM 1112 C C . ASP A 1 148 ? 15.889 -7.033 -12.961 1.00 14.76 ? 151 ASP A C 1 ATOM 1113 O O . ASP A 1 148 ? 15.147 -6.208 -13.506 1.00 14.06 ? 151 ASP A O 1 ATOM 1114 C CB . ASP A 1 148 ? 15.835 -5.527 -10.932 1.00 14.57 ? 151 ASP A CB 1 ATOM 1115 C CG . ASP A 1 148 ? 15.999 -5.466 -9.413 1.00 17.75 ? 151 ASP A CG 1 ATOM 1116 O OD1 . ASP A 1 148 ? 16.388 -6.493 -8.811 1.00 17.63 ? 151 ASP A OD1 1 ATOM 1117 O OD2 . ASP A 1 148 ? 15.708 -4.399 -8.822 1.00 21.45 ? 151 ASP A OD2 1 ATOM 1118 N N . LEU A 1 149 ? 16.300 -8.145 -13.555 1.00 12.43 ? 152 LEU A N 1 ATOM 1119 C CA . LEU A 1 149 ? 15.868 -8.528 -14.889 1.00 11.79 ? 152 LEU A CA 1 ATOM 1120 C C . LEU A 1 149 ? 15.878 -10.043 -15.004 1.00 11.02 ? 152 LEU A C 1 ATOM 1121 O O . LEU A 1 149 ? 16.480 -10.740 -14.177 1.00 12.90 ? 152 LEU A O 1 ATOM 1122 C CB . LEU A 1 149 ? 16.737 -7.872 -15.984 1.00 13.37 ? 152 LEU A CB 1 ATOM 1123 C CG . LEU A 1 149 ? 18.257 -8.089 -15.947 1.00 16.15 ? 152 LEU A CG 1 ATOM 1124 C CD1 . LEU A 1 149 ? 18.636 -9.484 -16.398 1.00 16.27 ? 152 LEU A CD1 1 ATOM 1125 C CD2 . LEU A 1 149 ? 18.936 -7.060 -16.845 1.00 16.58 ? 152 LEU A CD2 1 ATOM 1126 N N . PHE A 1 150 ? 15.181 -10.560 -16.008 1.00 10.81 ? 153 PHE A N 1 ATOM 1127 C CA . PHE A 1 150 ? 15.297 -11.969 -16.342 1.00 11.44 ? 153 PHE A CA 1 ATOM 1128 C C . PHE A 1 150 ? 15.305 -12.125 -17.855 1.00 12.06 ? 153 PHE A C 1 ATOM 1129 O O . PHE A 1 150 ? 14.840 -11.235 -18.583 1.00 12.37 ? 153 PHE A O 1 ATOM 1130 C CB . PHE A 1 150 ? 14.175 -12.806 -15.697 1.00 11.55 ? 153 PHE A CB 1 ATOM 1131 C CG . PHE A 1 150 ? 12.777 -12.379 -16.093 1.00 10.55 ? 153 PHE A CG 1 ATOM 1132 C CD1 . PHE A 1 150 ? 12.174 -12.917 -17.221 1.00 11.49 ? 153 PHE A CD1 1 ATOM 1133 C CD2 . PHE A 1 150 ? 12.074 -11.456 -15.324 1.00 12.38 ? 153 PHE A CD2 1 ATOM 1134 C CE1 . PHE A 1 150 ? 10.890 -12.526 -17.593 1.00 11.24 ? 153 PHE A CE1 1 ATOM 1135 C CE2 . PHE A 1 150 ? 10.791 -11.066 -15.690 1.00 12.44 ? 153 PHE A CE2 1 ATOM 1136 C CZ . PHE A 1 150 ? 10.208 -11.601 -16.833 1.00 11.04 ? 153 PHE A CZ 1 ATOM 1137 N N . SER A 1 151 ? 15.832 -13.253 -18.318 1.00 12.11 ? 154 SER A N 1 ATOM 1138 C CA . SER A 1 151 ? 16.061 -13.462 -19.743 1.00 12.23 ? 154 SER A CA 1 ATOM 1139 C C . SER A 1 151 ? 15.485 -14.787 -20.210 1.00 14.52 ? 154 SER A C 1 ATOM 1140 O O . SER A 1 151 ? 15.548 -15.804 -19.495 1.00 14.83 ? 154 SER A O 1 ATOM 1141 C CB . SER A 1 151 ? 17.561 -13.398 -20.036 1.00 16.13 ? 154 SER A CB 1 ATOM 1142 O OG . SER A 1 151 ? 18.075 -12.159 -19.611 1.00 16.57 ? 154 SER A OG 1 ATOM 1143 N N . VAL A 1 152 ? 14.915 -14.762 -21.414 1.00 13.21 ? 155 VAL A N 1 ATOM 1144 C CA . VAL A 1 152 ? 14.170 -15.887 -21.954 1.00 14.83 ? 155 VAL A CA 1 ATOM 1145 C C . VAL A 1 152 ? 14.756 -16.346 -23.284 1.00 16.11 ? 155 VAL A C 1 ATOM 1146 O O . VAL A 1 152 ? 14.851 -15.564 -24.242 1.00 15.03 ? 155 VAL A O 1 ATOM 1147 C CB . VAL A 1 152 ? 12.687 -15.504 -22.184 1.00 13.87 ? 155 VAL A CB 1 ATOM 1148 C CG1 . VAL A 1 152 ? 11.976 -16.567 -23.002 1.00 14.74 ? 155 VAL A CG1 1 ATOM 1149 C CG2 . VAL A 1 152 ? 11.973 -15.263 -20.844 1.00 14.35 ? 155 VAL A CG2 1 ATOM 1150 N N . TYR A 1 153 ? 15.158 -17.612 -23.328 1.00 15.80 ? 156 TYR A N 1 ATOM 1151 C CA . TYR A 1 153 ? 15.556 -18.264 -24.568 1.00 19.37 ? 156 TYR A CA 1 ATOM 1152 C C . TYR A 1 153 ? 14.603 -19.406 -24.876 1.00 21.59 ? 156 TYR A C 1 ATOM 1153 O O . TYR A 1 153 ? 14.347 -20.258 -24.024 1.00 20.04 ? 156 TYR A O 1 ATOM 1154 C CB . TYR A 1 153 ? 16.980 -18.816 -24.453 1.00 18.64 ? 156 TYR A CB 1 ATOM 1155 C CG . TYR A 1 153 ? 17.383 -19.676 -25.636 1.00 23.70 ? 156 TYR A CG 1 ATOM 1156 C CD1 . TYR A 1 153 ? 17.661 -19.107 -26.870 1.00 21.90 ? 156 TYR A CD1 1 ATOM 1157 C CD2 . TYR A 1 153 ? 17.480 -21.054 -25.515 1.00 25.94 ? 156 TYR A CD2 1 ATOM 1158 C CE1 . TYR A 1 153 ? 18.028 -19.893 -27.955 1.00 26.56 ? 156 TYR A CE1 1 ATOM 1159 C CE2 . TYR A 1 153 ? 17.843 -21.847 -26.595 1.00 27.55 ? 156 TYR A CE2 1 ATOM 1160 C CZ . TYR A 1 153 ? 18.117 -21.262 -27.806 1.00 27.80 ? 156 TYR A CZ 1 ATOM 1161 O OH . TYR A 1 153 ? 18.482 -22.051 -28.879 1.00 31.24 ? 156 TYR A OH 1 ATOM 1162 N N . MET A 1 154 ? 14.079 -19.424 -26.098 1.00 20.57 ? 157 MET A N 1 ATOM 1163 C CA . MET A 1 154 ? 13.276 -20.547 -26.550 1.00 23.38 ? 157 MET A CA 1 ATOM 1164 C C . MET A 1 154 ? 13.950 -21.164 -27.769 1.00 29.39 ? 157 MET A C 1 ATOM 1165 O O . MET A 1 154 ? 14.172 -20.474 -28.766 1.00 27.96 ? 157 MET A O 1 ATOM 1166 C CB . MET A 1 154 ? 11.865 -20.086 -26.903 1.00 24.79 ? 157 MET A CB 1 ATOM 1167 C CG . MET A 1 154 ? 11.133 -19.418 -25.759 1.00 26.18 ? 157 MET A CG 1 ATOM 1168 S SD . MET A 1 154 ? 9.401 -19.191 -26.173 1.00 27.59 ? 157 MET A SD 1 ATOM 1169 C CE . MET A 1 154 ? 8.928 -17.930 -25.017 1.00 29.38 ? 157 MET A CE 1 ATOM 1170 N N . ASP A 1 155 ? 14.294 -22.448 -27.693 1.00 34.52 ? 158 ASP A N 1 ATOM 1171 C CA . ASP A 1 155 ? 14.972 -23.089 -28.822 1.00 40.81 ? 158 ASP A CA 1 ATOM 1172 C C . ASP A 1 155 ? 14.017 -23.309 -29.993 1.00 45.29 ? 158 ASP A C 1 ATOM 1173 O O . ASP A 1 155 ? 12.924 -23.845 -29.827 1.00 46.51 ? 158 ASP A O 1 ATOM 1174 C CB . ASP A 1 155 ? 15.688 -24.388 -28.414 1.00 47.95 ? 158 ASP A CB 1 ATOM 1175 C CG . ASP A 1 155 ? 14.746 -25.436 -27.854 1.00 55.66 ? 158 ASP A CG 1 ATOM 1176 O OD1 . ASP A 1 155 ? 13.536 -25.387 -28.153 1.00 57.65 ? 158 ASP A OD1 1 ATOM 1177 O OD2 . ASP A 1 155 ? 15.225 -26.323 -27.114 1.00 59.71 ? 158 ASP A OD2 1 ATOM 1178 N N . ARG A 1 156 ? 14.434 -22.871 -31.176 1.00 45.17 ? 159 ARG A N 1 ATOM 1179 C CA . ARG A 1 156 ? 13.576 -22.929 -32.356 1.00 49.53 ? 159 ARG A CA 1 ATOM 1180 C C . ARG A 1 156 ? 13.069 -24.337 -32.642 1.00 59.13 ? 159 ARG A C 1 ATOM 1181 O O . ARG A 1 156 ? 11.994 -24.512 -33.220 1.00 56.81 ? 159 ARG A O 1 ATOM 1182 C CB . ARG A 1 156 ? 14.298 -22.354 -33.578 1.00 46.59 ? 159 ARG A CB 1 ATOM 1183 C CG . ARG A 1 156 ? 14.382 -20.839 -33.559 1.00 43.24 ? 159 ARG A CG 1 ATOM 1184 C CD . ARG A 1 156 ? 15.821 -20.348 -33.540 1.00 48.78 ? 159 ARG A CD 1 ATOM 1185 N NE . ARG A 1 156 ? 16.311 -20.055 -34.884 1.00 49.91 ? 159 ARG A NE 1 ATOM 1186 C CZ . ARG A 1 156 ? 16.972 -18.949 -35.209 1.00 50.05 ? 159 ARG A CZ 1 ATOM 1187 N NH1 . ARG A 1 156 ? 17.228 -18.030 -34.286 1.00 44.05 ? 159 ARG A NH1 1 ATOM 1188 N NH2 . ARG A 1 156 ? 17.383 -18.761 -36.457 1.00 58.61 ? 159 ARG A NH2 1 ATOM 1189 N N . ASN A 1 157 ? 13.841 -25.337 -32.227 1.00 58.22 ? 160 ASN A N 1 ATOM 1190 C CA . ASN A 1 157 ? 13.476 -26.726 -32.474 1.00 64.17 ? 160 ASN A CA 1 ATOM 1191 C C . ASN A 1 157 ? 13.197 -27.540 -31.215 1.00 65.81 ? 160 ASN A C 1 ATOM 1192 O O . ASN A 1 157 ? 14.112 -28.081 -30.591 1.00 65.98 ? 160 ASN A O 1 ATOM 1193 C CB . ASN A 1 157 ? 14.537 -27.423 -33.329 1.00 66.79 ? 160 ASN A CB 1 ATOM 1194 C CG . ASN A 1 157 ? 14.270 -27.282 -34.816 1.00 71.58 ? 160 ASN A CG 1 ATOM 1195 O OD1 . ASN A 1 157 ? 13.541 -28.081 -35.405 1.00 76.82 ? 160 ASN A OD1 1 ATOM 1196 N ND2 . ASN A 1 157 ? 14.860 -26.262 -35.431 1.00 65.69 ? 160 ASN A ND2 1 ATOM 1197 N N . GLY A 1 158 ? 11.922 -27.618 -30.849 1.00 66.11 ? 161 GLY A N 1 ATOM 1198 C CA . GLY A 1 158 ? 11.480 -28.532 -29.813 1.00 64.85 ? 161 GLY A CA 1 ATOM 1199 C C . GLY A 1 158 ? 11.598 -28.031 -28.389 1.00 66.62 ? 161 GLY A C 1 ATOM 1200 O O . GLY A 1 158 ? 12.654 -28.144 -27.767 1.00 67.60 ? 161 GLY A O 1 ATOM 1201 N N . GLN A 1 159 ? 10.503 -27.475 -27.879 1.00 66.18 ? 162 GLN A N 1 ATOM 1202 C CA . GLN A 1 159 ? 10.358 -27.160 -26.459 1.00 61.83 ? 162 GLN A CA 1 ATOM 1203 C C . GLN A 1 159 ? 11.651 -26.689 -25.795 1.00 61.73 ? 162 GLN A C 1 ATOM 1204 O O . GLN A 1 159 ? 12.401 -27.487 -25.229 1.00 59.45 ? 162 GLN A O 1 ATOM 1205 C CB . GLN A 1 159 ? 9.795 -28.373 -25.709 1.00 63.76 ? 162 GLN A CB 1 ATOM 1206 C CG . GLN A 1 159 ? 8.361 -28.733 -26.081 1.00 62.54 ? 162 GLN A CG 1 ATOM 1207 C CD . GLN A 1 159 ? 8.139 -28.808 -27.582 1.00 68.10 ? 162 GLN A CD 1 ATOM 1208 O OE1 . GLN A 1 159 ? 8.505 -29.792 -28.228 1.00 69.45 ? 162 GLN A OE1 1 ATOM 1209 N NE2 . GLN A 1 159 ? 7.544 -27.761 -28.146 1.00 63.93 ? 162 GLN A NE2 1 ATOM 1210 N N . GLY A 1 160 ? 11.902 -25.387 -25.862 1.00 61.53 ? 163 GLY A N 1 ATOM 1211 C CA . GLY A 1 160 ? 13.079 -24.811 -25.240 1.00 50.24 ? 163 GLY A CA 1 ATOM 1212 C C . GLY A 1 160 ? 12.810 -23.439 -24.659 1.00 41.67 ? 163 GLY A C 1 ATOM 1213 O O . GLY A 1 160 ? 11.856 -22.767 -25.048 1.00 51.54 ? 163 GLY A O 1 ATOM 1214 N N . SER A 1 161 ? 13.659 -23.010 -23.733 1.00 39.41 ? 164 SER A N 1 ATOM 1215 C CA . SER A 1 161 ? 14.818 -23.785 -23.333 1.00 30.93 ? 164 SER A CA 1 ATOM 1216 C C . SER A 1 161 ? 15.381 -23.259 -22.026 1.00 25.25 ? 164 SER A C 1 ATOM 1217 O O . SER A 1 161 ? 15.830 -24.040 -21.197 1.00 27.97 ? 164 SER A O 1 ATOM 1218 C CB . SER A 1 161 ? 15.901 -23.760 -24.416 1.00 45.07 ? 164 SER A CB 1 ATOM 1219 O OG . SER A 1 161 ? 17.050 -24.494 -24.022 1.00 36.89 ? 164 SER A OG 1 ATOM 1220 N N . MET A 1 162 ? 15.357 -21.941 -21.833 1.00 19.20 ? 165 MET A N 1 ATOM 1221 C CA . MET A 1 162 ? 15.968 -21.378 -20.634 1.00 20.34 ? 165 MET A CA 1 ATOM 1222 C C . MET A 1 162 ? 15.286 -20.124 -20.070 1.00 18.32 ? 165 MET A C 1 ATOM 1223 O O . MET A 1 162 ? 14.906 -19.216 -20.813 1.00 19.50 ? 165 MET A O 1 ATOM 1224 C CB . MET A 1 162 ? 17.453 -21.098 -20.887 1.00 23.77 ? 165 MET A CB 1 ATOM 1225 C CG . MET A 1 162 ? 18.241 -20.679 -19.657 1.00 25.34 ? 165 MET A CG 1 ATOM 1226 S SD . MET A 1 162 ? 18.309 -21.952 -18.375 1.00 37.00 ? 165 MET A SD 1 ATOM 1227 C CE . MET A 1 162 ? 18.904 -23.332 -19.354 1.00 33.62 ? 165 MET A CE 1 ATOM 1228 N N . LEU A 1 163 ? 15.126 -20.103 -18.749 1.00 18.42 ? 166 LEU A N 1 ATOM 1229 C CA . LEU A 1 163 ? 14.743 -18.906 -18.007 1.00 15.59 ? 166 LEU A CA 1 ATOM 1230 C C . LEU A 1 163 ? 15.889 -18.561 -17.084 1.00 18.01 ? 166 LEU A C 1 ATOM 1231 O O . LEU A 1 163 ? 16.218 -19.340 -16.181 1.00 23.19 ? 166 LEU A O 1 ATOM 1232 C CB . LEU A 1 163 ? 13.493 -19.149 -17.165 1.00 16.13 ? 166 LEU A CB 1 ATOM 1233 C CG . LEU A 1 163 ? 13.078 -17.997 -16.245 1.00 13.09 ? 166 LEU A CG 1 ATOM 1234 C CD1 . LEU A 1 163 ? 12.726 -16.752 -17.058 1.00 17.21 ? 166 LEU A CD1 1 ATOM 1235 C CD2 . LEU A 1 163 ? 11.912 -18.402 -15.353 1.00 15.57 ? 166 LEU A CD2 1 ATOM 1236 N N . THR A 1 164 ? 16.490 -17.398 -17.291 1.00 13.33 ? 167 THR A N 1 ATOM 1237 C CA . THR A 1 164 ? 17.614 -16.973 -16.455 1.00 13.53 ? 167 THR A CA 1 ATOM 1238 C C . THR A 1 164 ? 17.175 -15.826 -15.562 1.00 12.93 ? 167 THR A C 1 ATOM 1239 O O . THR A 1 164 ? 16.877 -14.739 -16.038 1.00 13.76 ? 167 THR A O 1 ATOM 1240 C CB . THR A 1 164 ? 18.809 -16.546 -17.315 1.00 15.38 ? 167 THR A CB 1 ATOM 1241 O OG1 . THR A 1 164 ? 19.147 -17.610 -18.208 1.00 18.83 ? 167 THR A OG1 1 ATOM 1242 C CG2 . THR A 1 164 ? 20.016 -16.213 -16.436 1.00 19.19 ? 167 THR A CG2 1 ATOM 1243 N N . LEU A 1 165 ? 17.123 -16.067 -14.256 1.00 14.10 ? 168 LEU A N 1 ATOM 1244 C CA . LEU A 1 165 ? 16.641 -15.054 -13.341 1.00 12.82 ? 168 LEU A CA 1 ATOM 1245 C C . LEU A 1 165 ? 17.786 -14.202 -12.804 1.00 16.81 ? 168 LEU A C 1 ATOM 1246 O O . LEU A 1 165 ? 18.691 -14.712 -12.132 1.00 18.79 ? 168 LEU A O 1 ATOM 1247 C CB . LEU A 1 165 ? 15.883 -15.697 -12.174 1.00 14.94 ? 168 LEU A CB 1 ATOM 1248 C CG . LEU A 1 165 ? 14.634 -16.493 -12.542 1.00 16.38 ? 168 LEU A CG 1 ATOM 1249 C CD1 . LEU A 1 165 ? 14.086 -17.162 -11.278 1.00 15.81 ? 168 LEU A CD1 1 ATOM 1250 C CD2 . LEU A 1 165 ? 13.580 -15.601 -13.181 1.00 19.21 ? 168 LEU A CD2 1 ATOM 1251 N N . GLY A 1 166 ? 17.762 -12.912 -13.128 1.00 13.55 ? 169 GLY A N 1 ATOM 1252 C CA . GLY A 1 166 ? 18.715 -11.973 -12.555 1.00 14.30 ? 169 GLY A CA 1 ATOM 1253 C C . GLY A 1 166 ? 19.968 -11.795 -13.388 1.00 15.37 ? 169 GLY A C 1 ATOM 1254 O O . GLY A 1 166 ? 20.912 -11.132 -12.954 1.00 17.81 ? 169 GLY A O 1 ATOM 1255 N N . ALA A 1 167 ? 19.969 -12.356 -14.593 1.00 14.53 ? 170 ALA A N 1 ATOM 1256 C CA . ALA A 1 167 ? 21.113 -12.244 -15.494 1.00 17.54 ? 170 ALA A CA 1 ATOM 1257 C C . ALA A 1 167 ? 20.723 -12.358 -16.959 1.00 18.23 ? 170 ALA A C 1 ATOM 1258 O O . ALA A 1 167 ? 19.638 -12.848 -17.305 1.00 16.85 ? 170 ALA A O 1 ATOM 1259 C CB . ALA A 1 167 ? 22.154 -13.294 -15.164 1.00 18.86 ? 170 ALA A CB 1 ATOM 1260 N N . ILE A 1 168 ? 21.644 -11.902 -17.803 1.00 18.69 ? 171 ILE A N 1 ATOM 1261 C CA . ILE A 1 168 ? 21.580 -12.048 -19.249 1.00 18.88 ? 171 ILE A CA 1 ATOM 1262 C C . ILE A 1 168 ? 22.665 -13.043 -19.622 1.00 24.17 ? 171 ILE A C 1 ATOM 1263 O O . ILE A 1 168 ? 23.797 -12.922 -19.163 1.00 25.90 ? 171 ILE A O 1 ATOM 1264 C CB . ILE A 1 168 ? 21.881 -10.713 -19.950 1.00 18.28 ? 171 ILE A CB 1 ATOM 1265 C CG1 . ILE A 1 168 ? 20.884 -9.640 -19.518 1.00 19.52 ? 171 ILE A CG1 1 ATOM 1266 C CG2 . ILE A 1 168 ? 21.881 -10.887 -21.471 1.00 21.22 ? 171 ILE A CG2 1 ATOM 1267 C CD1 . ILE A 1 168 ? 21.146 -8.276 -20.115 1.00 19.74 ? 171 ILE A CD1 1 ATOM 1268 N N . ASP A 1 169 ? 22.319 -14.036 -20.430 1.00 20.99 ? 172 ASP A N 1 ATOM 1269 C CA . ASP A 1 169 ? 23.277 -15.063 -20.832 1.00 27.34 ? 172 ASP A CA 1 ATOM 1270 C C . ASP A 1 169 ? 23.650 -14.876 -22.301 1.00 27.11 ? 172 ASP A C 1 ATOM 1271 O O . ASP A 1 169 ? 22.896 -15.257 -23.197 1.00 27.03 ? 172 ASP A O 1 ATOM 1272 C CB . ASP A 1 169 ? 22.693 -16.456 -20.590 1.00 29.50 ? 172 ASP A CB 1 ATOM 1273 C CG . ASP A 1 169 ? 23.724 -17.558 -20.738 1.00 36.31 ? 172 ASP A CG 1 ATOM 1274 O OD1 . ASP A 1 169 ? 24.704 -17.360 -21.488 1.00 33.00 ? 172 ASP A OD1 1 ATOM 1275 O OD2 . ASP A 1 169 ? 23.547 -18.625 -20.107 1.00 36.23 ? 172 ASP A OD2 1 ATOM 1276 N N . PRO A 1 170 ? 24.822 -14.280 -22.555 1.00 27.27 ? 173 PRO A N 1 ATOM 1277 C CA . PRO A 1 170 ? 25.216 -13.914 -23.921 1.00 29.89 ? 173 PRO A CA 1 ATOM 1278 C C . PRO A 1 170 ? 25.392 -15.116 -24.849 1.00 31.78 ? 173 PRO A C 1 ATOM 1279 O O . PRO A 1 170 ? 25.458 -14.934 -26.064 1.00 34.40 ? 173 PRO A O 1 ATOM 1280 C CB . PRO A 1 170 ? 26.557 -13.196 -23.721 1.00 38.74 ? 173 PRO A CB 1 ATOM 1281 C CG . PRO A 1 170 ? 26.577 -12.800 -22.279 1.00 37.16 ? 173 PRO A CG 1 ATOM 1282 C CD . PRO A 1 170 ? 25.832 -13.875 -21.564 1.00 34.17 ? 173 PRO A CD 1 ATOM 1283 N N . SER A 1 171 ? 25.458 -16.320 -24.291 1.00 32.38 ? 174 SER A N 1 ATOM 1284 C CA . SER A 1 171 ? 25.648 -17.515 -25.106 1.00 34.40 ? 174 SER A CA 1 ATOM 1285 C C . SER A 1 171 ? 24.431 -17.800 -25.983 1.00 33.85 ? 174 SER A C 1 ATOM 1286 O O . SER A 1 171 ? 24.512 -18.571 -26.939 1.00 34.96 ? 174 SER A O 1 ATOM 1287 C CB . SER A 1 171 ? 25.974 -18.731 -24.230 1.00 33.01 ? 174 SER A CB 1 ATOM 1288 O OG . SER A 1 171 ? 24.830 -19.190 -23.530 1.00 39.31 ? 174 SER A OG 1 ATOM 1289 N N . TYR A 1 172 ? 23.307 -17.160 -25.673 1.00 28.28 ? 175 TYR A N 1 ATOM 1290 C CA . TYR A 1 172 ? 22.062 -17.455 -26.374 1.00 27.15 ? 175 TYR A CA 1 ATOM 1291 C C . TYR A 1 172 ? 21.740 -16.495 -27.515 1.00 22.09 ? 175 TYR A C 1 ATOM 1292 O O . TYR A 1 172 ? 20.710 -16.638 -28.178 1.00 23.85 ? 175 TYR A O 1 ATOM 1293 C CB . TYR A 1 172 ? 20.893 -17.496 -25.389 1.00 23.53 ? 175 TYR A CB 1 ATOM 1294 C CG . TYR A 1 172 ? 20.937 -18.669 -24.449 1.00 25.93 ? 175 TYR A CG 1 ATOM 1295 C CD1 . TYR A 1 172 ? 20.817 -19.966 -24.923 1.00 27.90 ? 175 TYR A CD1 1 ATOM 1296 C CD2 . TYR A 1 172 ? 21.084 -18.476 -23.080 1.00 33.15 ? 175 TYR A CD2 1 ATOM 1297 C CE1 . TYR A 1 172 ? 20.851 -21.045 -24.058 1.00 34.11 ? 175 TYR A CE1 1 ATOM 1298 C CE2 . TYR A 1 172 ? 21.119 -19.544 -22.210 1.00 33.40 ? 175 TYR A CE2 1 ATOM 1299 C CZ . TYR A 1 172 ? 21.003 -20.826 -22.702 1.00 34.86 ? 175 TYR A CZ 1 ATOM 1300 O OH . TYR A 1 172 ? 21.035 -21.889 -21.830 1.00 40.65 ? 175 TYR A OH 1 ATOM 1301 N N . TYR A 1 173 ? 22.599 -15.511 -27.750 1.00 21.87 ? 176 TYR A N 1 ATOM 1302 C CA . TYR A 1 173 ? 22.349 -14.592 -28.852 1.00 24.67 ? 176 TYR A CA 1 ATOM 1303 C C . TYR A 1 173 ? 23.608 -14.180 -29.600 1.00 28.44 ? 176 TYR A C 1 ATOM 1304 O O . TYR A 1 173 ? 24.725 -14.365 -29.113 1.00 29.07 ? 176 TYR A O 1 ATOM 1305 C CB . TYR A 1 173 ? 21.554 -13.361 -28.389 1.00 23.42 ? 176 TYR A CB 1 ATOM 1306 C CG . TYR A 1 173 ? 22.278 -12.404 -27.464 1.00 25.33 ? 176 TYR A CG 1 ATOM 1307 C CD1 . TYR A 1 173 ? 23.036 -11.357 -27.968 1.00 25.05 ? 176 TYR A CD1 1 ATOM 1308 C CD2 . TYR A 1 173 ? 22.165 -12.521 -26.085 1.00 25.20 ? 176 TYR A CD2 1 ATOM 1309 C CE1 . TYR A 1 173 ? 23.682 -10.467 -27.128 1.00 24.54 ? 176 TYR A CE1 1 ATOM 1310 C CE2 . TYR A 1 173 ? 22.808 -11.634 -25.236 1.00 26.79 ? 176 TYR A CE2 1 ATOM 1311 C CZ . TYR A 1 173 ? 23.564 -10.611 -25.764 1.00 31.31 ? 176 TYR A CZ 1 ATOM 1312 O OH . TYR A 1 173 ? 24.207 -9.726 -24.927 1.00 34.13 ? 176 TYR A OH 1 ATOM 1313 N N . THR A 1 174 ? 23.403 -13.637 -30.795 1.00 27.33 ? 177 THR A N 1 ATOM 1314 C CA . THR A 1 174 ? 24.480 -13.053 -31.581 1.00 29.86 ? 177 THR A CA 1 ATOM 1315 C C . THR A 1 174 ? 24.156 -11.589 -31.813 1.00 34.27 ? 177 THR A C 1 ATOM 1316 O O . THR A 1 174 ? 23.027 -11.156 -31.586 1.00 28.28 ? 177 THR A O 1 ATOM 1317 C CB . THR A 1 174 ? 24.659 -13.772 -32.935 1.00 32.50 ? 177 THR A CB 1 ATOM 1318 O OG1 . THR A 1 174 ? 23.446 -13.689 -33.693 1.00 28.42 ? 177 THR A OG1 1 ATOM 1319 C CG2 . THR A 1 174 ? 25.008 -15.233 -32.713 1.00 35.88 ? 177 THR A CG2 1 ATOM 1320 N N . GLY A 1 175 ? 25.144 -10.820 -32.256 1.00 35.15 ? 178 GLY A N 1 ATOM 1321 C CA . GLY A 1 175 ? 24.944 -9.400 -32.466 1.00 33.68 ? 178 GLY A CA 1 ATOM 1322 C C . GLY A 1 175 ? 24.780 -8.677 -31.146 1.00 33.15 ? 178 GLY A C 1 ATOM 1323 O O . GLY A 1 175 ? 25.236 -9.156 -30.106 1.00 33.07 ? 178 GLY A O 1 ATOM 1324 N N . SER A 1 176 ? 24.118 -7.528 -31.174 1.00 33.31 ? 179 SER A N 1 ATOM 1325 C CA . SER A 1 176 ? 23.968 -6.739 -29.960 1.00 32.25 ? 179 SER A CA 1 ATOM 1326 C C . SER A 1 176 ? 22.533 -6.755 -29.441 1.00 25.97 ? 179 SER A C 1 ATOM 1327 O O . SER A 1 176 ? 21.592 -7.012 -30.188 1.00 28.09 ? 179 SER A O 1 ATOM 1328 C CB . SER A 1 176 ? 24.429 -5.301 -30.192 1.00 40.68 ? 179 SER A CB 1 ATOM 1329 O OG . SER A 1 176 ? 24.506 -4.595 -28.965 1.00 49.03 ? 179 SER A OG 1 ATOM 1330 N N . LEU A 1 177 ? 22.395 -6.492 -28.149 1.00 27.58 ? 180 LEU A N 1 ATOM 1331 C CA . LEU A 1 177 ? 21.098 -6.361 -27.502 1.00 22.42 ? 180 LEU A CA 1 ATOM 1332 C C . LEU A 1 177 ? 20.600 -4.942 -27.727 1.00 25.20 ? 180 LEU A C 1 ATOM 1333 O O . LEU A 1 177 ? 21.340 -3.980 -27.530 1.00 26.65 ? 180 LEU A O 1 ATOM 1334 C CB . LEU A 1 177 ? 21.258 -6.627 -26.005 1.00 28.43 ? 180 LEU A CB 1 ATOM 1335 C CG . LEU A 1 177 ? 20.104 -7.105 -25.129 1.00 31.18 ? 180 LEU A CG 1 ATOM 1336 C CD1 . LEU A 1 177 ? 19.502 -8.391 -25.649 1.00 24.66 ? 180 LEU A CD1 1 ATOM 1337 C CD2 . LEU A 1 177 ? 20.621 -7.305 -23.702 1.00 29.03 ? 180 LEU A CD2 1 ATOM 1338 N N . HIS A 1 178 ? 19.353 -4.807 -28.163 1.00 20.50 ? 181 HIS A N 1 ATOM 1339 C CA . HIS A 1 178 ? 18.758 -3.492 -28.320 1.00 23.14 ? 181 HIS A CA 1 ATOM 1340 C C . HIS A 1 178 ? 17.512 -3.360 -27.466 1.00 21.64 ? 181 HIS A C 1 ATOM 1341 O O . HIS A 1 178 ? 16.741 -4.309 -27.326 1.00 21.17 ? 181 HIS A O 1 ATOM 1342 C CB . HIS A 1 178 ? 18.473 -3.190 -29.792 1.00 25.02 ? 181 HIS A CB 1 ATOM 1343 C CG . HIS A 1 178 ? 19.718 -3.070 -30.619 1.00 28.24 ? 181 HIS A CG 1 ATOM 1344 N ND1 . HIS A 1 178 ? 20.145 -4.065 -31.471 1.00 38.14 ? 181 HIS A ND1 1 ATOM 1345 C CD2 . HIS A 1 178 ? 20.647 -2.089 -30.690 1.00 35.59 ? 181 HIS A CD2 1 ATOM 1346 C CE1 . HIS A 1 178 ? 21.275 -3.694 -32.047 1.00 35.13 ? 181 HIS A CE1 1 ATOM 1347 N NE2 . HIS A 1 178 ? 21.601 -2.498 -31.591 1.00 39.54 ? 181 HIS A NE2 1 ATOM 1348 N N . TRP A 1 179 ? 17.327 -2.172 -26.905 1.00 19.46 ? 182 TRP A N 1 ATOM 1349 C CA . TRP A 1 179 ? 16.336 -1.949 -25.855 1.00 19.85 ? 182 TRP A CA 1 ATOM 1350 C C . TRP A 1 179 ? 15.123 -1.153 -26.326 1.00 24.60 ? 182 TRP A C 1 ATOM 1351 O O . TRP A 1 179 ? 15.240 -0.235 -27.141 1.00 23.21 ? 182 TRP A O 1 ATOM 1352 C CB . TRP A 1 179 ? 16.994 -1.242 -24.672 1.00 20.68 ? 182 TRP A CB 1 ATOM 1353 C CG . TRP A 1 179 ? 18.092 -2.040 -24.044 1.00 23.59 ? 182 TRP A CG 1 ATOM 1354 C CD1 . TRP A 1 179 ? 19.433 -1.895 -24.252 1.00 24.38 ? 182 TRP A CD1 1 ATOM 1355 C CD2 . TRP A 1 179 ? 17.946 -3.118 -23.111 1.00 21.58 ? 182 TRP A CD2 1 ATOM 1356 N NE1 . TRP A 1 179 ? 20.131 -2.810 -23.502 1.00 28.53 ? 182 TRP A NE1 1 ATOM 1357 C CE2 . TRP A 1 179 ? 19.241 -3.574 -22.794 1.00 24.74 ? 182 TRP A CE2 1 ATOM 1358 C CE3 . TRP A 1 179 ? 16.845 -3.742 -22.512 1.00 17.77 ? 182 TRP A CE3 1 ATOM 1359 C CZ2 . TRP A 1 179 ? 19.465 -4.622 -21.905 1.00 26.34 ? 182 TRP A CZ2 1 ATOM 1360 C CZ3 . TRP A 1 179 ? 17.071 -4.781 -21.635 1.00 19.72 ? 182 TRP A CZ3 1 ATOM 1361 C CH2 . TRP A 1 179 ? 18.370 -5.210 -21.334 1.00 22.21 ? 182 TRP A CH2 1 ATOM 1362 N N . VAL A 1 180 ? 13.957 -1.512 -25.795 1.00 17.37 ? 183 VAL A N 1 ATOM 1363 C CA . VAL A 1 180 ? 12.701 -0.852 -26.129 1.00 17.76 ? 183 VAL A CA 1 ATOM 1364 C C . VAL A 1 180 ? 11.972 -0.513 -24.827 1.00 16.57 ? 183 VAL A C 1 ATOM 1365 O O . VAL A 1 180 ? 11.777 -1.385 -23.980 1.00 14.28 ? 183 VAL A O 1 ATOM 1366 C CB . VAL A 1 180 ? 11.799 -1.779 -26.954 1.00 19.85 ? 183 VAL A CB 1 ATOM 1367 C CG1 . VAL A 1 180 ? 10.603 -0.993 -27.477 1.00 24.24 ? 183 VAL A CG1 1 ATOM 1368 C CG2 . VAL A 1 180 ? 12.589 -2.417 -28.094 1.00 25.65 ? 183 VAL A CG2 1 ATOM 1369 N N . PRO A 1 181 ? 11.584 0.754 -24.634 1.00 15.41 ? 184 PRO A N 1 ATOM 1370 C CA . PRO A 1 181 ? 10.937 1.107 -23.367 1.00 15.43 ? 184 PRO A CA 1 ATOM 1371 C C . PRO A 1 181 ? 9.555 0.484 -23.228 1.00 13.77 ? 184 PRO A C 1 ATOM 1372 O O . PRO A 1 181 ? 8.813 0.409 -24.194 1.00 16.28 ? 184 PRO A O 1 ATOM 1373 C CB . PRO A 1 181 ? 10.810 2.634 -23.451 1.00 18.02 ? 184 PRO A CB 1 ATOM 1374 C CG . PRO A 1 181 ? 11.820 3.047 -24.486 1.00 19.04 ? 184 PRO A CG 1 ATOM 1375 C CD . PRO A 1 181 ? 11.815 1.934 -25.486 1.00 17.02 ? 184 PRO A CD 1 ATOM 1376 N N . VAL A 1 182 ? 9.218 0.036 -22.026 1.00 13.85 ? 185 VAL A N 1 ATOM 1377 C CA . VAL A 1 182 ? 7.857 -0.404 -21.754 1.00 13.55 ? 185 VAL A CA 1 ATOM 1378 C C . VAL A 1 182 ? 6.927 0.807 -21.759 1.00 14.60 ? 185 VAL A C 1 ATOM 1379 O O . VAL A 1 182 ? 7.246 1.853 -21.177 1.00 14.74 ? 185 VAL A O 1 ATOM 1380 C CB . VAL A 1 182 ? 7.786 -1.133 -20.391 1.00 14.10 ? 185 VAL A CB 1 ATOM 1381 C CG1 . VAL A 1 182 ? 6.356 -1.324 -19.929 1.00 14.48 ? 185 VAL A CG1 1 ATOM 1382 C CG2 . VAL A 1 182 ? 8.485 -2.486 -20.499 1.00 13.99 ? 185 VAL A CG2 1 ATOM 1383 N N . THR A 1 183 ? 5.773 0.673 -22.409 1.00 14.15 ? 186 THR A N 1 ATOM 1384 C CA . THR A 1 183 ? 4.829 1.791 -22.471 1.00 14.42 ? 186 THR A CA 1 ATOM 1385 C C . THR A 1 183 ? 3.811 1.806 -21.339 1.00 16.70 ? 186 THR A C 1 ATOM 1386 O O . THR A 1 183 ? 3.504 2.864 -20.784 1.00 22.44 ? 186 THR A O 1 ATOM 1387 C CB . THR A 1 183 ? 4.072 1.796 -23.801 1.00 14.47 ? 186 THR A CB 1 ATOM 1388 O OG1 . THR A 1 183 ? 3.532 0.485 -24.030 1.00 14.16 ? 186 THR A OG1 1 ATOM 1389 C CG2 . THR A 1 183 ? 5.011 2.161 -24.931 1.00 16.55 ? 186 THR A CG2 1 ATOM 1390 N N . LEU A 1 184 ? 3.276 0.632 -21.013 1.00 16.85 ? 187 LEU A N 1 ATOM 1391 C CA . LEU A 1 184 ? 2.310 0.478 -19.940 1.00 15.25 ? 187 LEU A CA 1 ATOM 1392 C C . LEU A 1 184 ? 2.773 -0.691 -19.090 1.00 13.62 ? 187 LEU A C 1 ATOM 1393 O O . LEU A 1 184 ? 2.904 -1.798 -19.598 1.00 14.77 ? 187 LEU A O 1 ATOM 1394 C CB . LEU A 1 184 ? 0.916 0.187 -20.510 1.00 15.84 ? 187 LEU A CB 1 ATOM 1395 C CG . LEU A 1 184 ? -0.198 -0.104 -19.503 1.00 16.82 ? 187 LEU A CG 1 ATOM 1396 C CD1 . LEU A 1 184 ? -0.474 1.087 -18.608 1.00 22.96 ? 187 LEU A CD1 1 ATOM 1397 C CD2 . LEU A 1 184 ? -1.471 -0.528 -20.219 1.00 20.58 ? 187 LEU A CD2 1 ATOM 1398 N N . GLN A 1 185 ? 3.044 -0.427 -17.815 1.00 13.60 ? 188 GLN A N 1 ATOM 1399 C CA . GLN A 1 185 ? 3.634 -1.418 -16.914 1.00 13.83 ? 188 GLN A CA 1 ATOM 1400 C C . GLN A 1 185 ? 2.567 -2.319 -16.300 1.00 12.82 ? 188 GLN A C 1 ATOM 1401 O O . GLN A 1 185 ? 2.188 -2.167 -15.131 1.00 14.27 ? 188 GLN A O 1 ATOM 1402 C CB . GLN A 1 185 ? 4.473 -0.719 -15.830 1.00 12.37 ? 188 GLN A CB 1 ATOM 1403 C CG . GLN A 1 185 ? 5.724 -0.038 -16.414 1.00 15.57 ? 188 GLN A CG 1 ATOM 1404 C CD . GLN A 1 185 ? 6.431 0.875 -15.422 1.00 17.63 ? 188 GLN A CD 1 ATOM 1405 O OE1 . GLN A 1 185 ? 7.105 1.835 -15.815 1.00 20.98 ? 188 GLN A OE1 1 ATOM 1406 N NE2 . GLN A 1 185 ? 6.298 0.575 -14.147 1.00 15.87 ? 188 GLN A NE2 1 ATOM 1407 N N . GLN A 1 186 ? 2.074 -3.246 -17.113 1.00 13.51 ? 189 GLN A N 1 ATOM 1408 C CA . GLN A 1 186 ? 1.098 -4.245 -16.684 1.00 12.83 ? 189 GLN A CA 1 ATOM 1409 C C . GLN A 1 186 ? 1.547 -5.548 -17.329 1.00 13.05 ? 189 GLN A C 1 ATOM 1410 O O . GLN A 1 186 ? 2.159 -6.395 -16.675 1.00 12.25 ? 189 GLN A O 1 ATOM 1411 C CB . GLN A 1 186 ? -0.328 -3.853 -17.106 1.00 14.23 ? 189 GLN A CB 1 ATOM 1412 C CG . GLN A 1 186 ? -0.839 -2.612 -16.371 1.00 17.78 ? 189 GLN A CG 1 ATOM 1413 C CD . GLN A 1 186 ? -2.269 -2.237 -16.727 1.00 25.00 ? 189 GLN A CD 1 ATOM 1414 O OE1 . GLN A 1 186 ? -2.705 -1.116 -16.458 1.00 37.79 ? 189 GLN A OE1 1 ATOM 1415 N NE2 . GLN A 1 186 ? -3.002 -3.168 -17.318 1.00 19.98 ? 189 GLN A NE2 1 ATOM 1416 N N . TYR A 1 187 ? 1.280 -5.696 -18.625 1.00 12.91 ? 190 TYR A N 1 ATOM 1417 C CA . TYR A 1 187 ? 2.008 -6.659 -19.446 1.00 11.78 ? 190 TYR A CA 1 ATOM 1418 C C . TYR A 1 187 ? 3.371 -6.047 -19.763 1.00 9.83 ? 190 TYR A C 1 ATOM 1419 O O . TYR A 1 187 ? 3.649 -4.885 -19.411 1.00 12.19 ? 190 TYR A O 1 ATOM 1420 C CB . TYR A 1 187 ? 1.260 -6.954 -20.765 1.00 11.12 ? 190 TYR A CB 1 ATOM 1421 C CG . TYR A 1 187 ? -0.158 -7.411 -20.544 1.00 14.06 ? 190 TYR A CG 1 ATOM 1422 C CD1 . TYR A 1 187 ? -0.431 -8.696 -20.116 1.00 14.71 ? 190 TYR A CD1 1 ATOM 1423 C CD2 . TYR A 1 187 ? -1.224 -6.547 -20.747 1.00 21.77 ? 190 TYR A CD2 1 ATOM 1424 C CE1 . TYR A 1 187 ? -1.725 -9.116 -19.875 1.00 18.23 ? 190 TYR A CE1 1 ATOM 1425 C CE2 . TYR A 1 187 ? -2.527 -6.957 -20.514 1.00 23.75 ? 190 TYR A CE2 1 ATOM 1426 C CZ . TYR A 1 187 ? -2.768 -8.244 -20.084 1.00 23.40 ? 190 TYR A CZ 1 ATOM 1427 O OH . TYR A 1 187 ? -4.057 -8.664 -19.854 1.00 29.22 ? 190 TYR A OH 1 ATOM 1428 N N . TRP A 1 188 ? 4.233 -6.839 -20.384 1.00 10.79 ? 191 TRP A N 1 ATOM 1429 C CA . TRP A 1 188 ? 5.478 -6.327 -20.941 1.00 9.97 ? 191 TRP A CA 1 ATOM 1430 C C . TRP A 1 188 ? 5.107 -5.732 -22.300 1.00 12.26 ? 191 TRP A C 1 ATOM 1431 O O . TRP A 1 188 ? 5.268 -6.353 -23.347 1.00 12.48 ? 191 TRP A O 1 ATOM 1432 C CB . TRP A 1 188 ? 6.530 -7.443 -21.041 1.00 11.63 ? 191 TRP A CB 1 ATOM 1433 C CG . TRP A 1 188 ? 7.070 -7.797 -19.673 1.00 10.09 ? 191 TRP A CG 1 ATOM 1434 C CD1 . TRP A 1 188 ? 6.646 -8.800 -18.843 1.00 10.40 ? 191 TRP A CD1 1 ATOM 1435 C CD2 . TRP A 1 188 ? 8.122 -7.114 -18.981 1.00 11.59 ? 191 TRP A CD2 1 ATOM 1436 N NE1 . TRP A 1 188 ? 7.377 -8.776 -17.664 1.00 11.38 ? 191 TRP A NE1 1 ATOM 1437 C CE2 . TRP A 1 188 ? 8.294 -7.754 -17.735 1.00 11.41 ? 191 TRP A CE2 1 ATOM 1438 C CE3 . TRP A 1 188 ? 8.943 -6.021 -19.301 1.00 12.13 ? 191 TRP A CE3 1 ATOM 1439 C CZ2 . TRP A 1 188 ? 9.256 -7.345 -16.811 1.00 12.18 ? 191 TRP A CZ2 1 ATOM 1440 C CZ3 . TRP A 1 188 ? 9.904 -5.610 -18.376 1.00 12.11 ? 191 TRP A CZ3 1 ATOM 1441 C CH2 . TRP A 1 188 ? 10.045 -6.269 -17.143 1.00 11.27 ? 191 TRP A CH2 1 ATOM 1442 N N . GLN A 1 189 ? 4.592 -4.507 -22.243 1.00 11.18 ? 192 GLN A N 1 ATOM 1443 C CA . GLN A 1 189 ? 3.975 -3.865 -23.401 1.00 11.84 ? 192 GLN A CA 1 ATOM 1444 C C . GLN A 1 189 ? 4.851 -2.746 -23.947 1.00 13.43 ? 192 GLN A C 1 ATOM 1445 O O . GLN A 1 189 ? 5.467 -1.995 -23.179 1.00 13.69 ? 192 GLN A O 1 ATOM 1446 C CB . GLN A 1 189 ? 2.623 -3.303 -22.985 1.00 11.69 ? 192 GLN A CB 1 ATOM 1447 C CG . GLN A 1 189 ? 1.770 -2.759 -24.139 1.00 11.40 ? 192 GLN A CG 1 ATOM 1448 C CD . GLN A 1 189 ? 0.365 -2.408 -23.685 1.00 17.43 ? 192 GLN A CD 1 ATOM 1449 O OE1 . GLN A 1 189 ? -0.243 -3.127 -22.896 1.00 15.58 ? 192 GLN A OE1 1 ATOM 1450 N NE2 . GLN A 1 189 ? -0.156 -1.290 -24.176 1.00 13.96 ? 192 GLN A NE2 1 ATOM 1451 N N . PHE A 1 190 ? 4.879 -2.619 -25.268 1.00 12.68 ? 193 PHE A N 1 ATOM 1452 C CA . PHE A 1 190 ? 5.678 -1.580 -25.908 1.00 13.31 ? 193 PHE A CA 1 ATOM 1453 C C . PHE A 1 190 ? 5.086 -1.240 -27.262 1.00 15.44 ? 193 PHE A C 1 ATOM 1454 O O . PHE A 1 190 ? 4.142 -1.878 -27.716 1.00 14.46 ? 193 PHE A O 1 ATOM 1455 C CB . PHE A 1 190 ? 7.118 -2.051 -26.075 1.00 14.56 ? 193 PHE A CB 1 ATOM 1456 C CG . PHE A 1 190 ? 7.231 -3.418 -26.674 1.00 14.49 ? 193 PHE A CG 1 ATOM 1457 C CD1 . PHE A 1 190 ? 7.287 -3.586 -28.048 1.00 15.99 ? 193 PHE A CD1 1 ATOM 1458 C CD2 . PHE A 1 190 ? 7.229 -4.544 -25.859 1.00 17.02 ? 193 PHE A CD2 1 ATOM 1459 C CE1 . PHE A 1 190 ? 7.373 -4.852 -28.602 1.00 18.61 ? 193 PHE A CE1 1 ATOM 1460 C CE2 . PHE A 1 190 ? 7.308 -5.802 -26.406 1.00 19.70 ? 193 PHE A CE2 1 ATOM 1461 C CZ . PHE A 1 190 ? 7.379 -5.959 -27.778 1.00 19.34 ? 193 PHE A CZ 1 ATOM 1462 N N . THR A 1 191 ? 5.654 -0.227 -27.908 1.00 15.03 ? 194 THR A N 1 ATOM 1463 C CA . THR A 1 191 ? 5.187 0.186 -29.218 1.00 16.23 ? 194 THR A CA 1 ATOM 1464 C C . THR A 1 191 ? 5.916 -0.551 -30.334 1.00 15.55 ? 194 THR A C 1 ATOM 1465 O O . THR A 1 191 ? 7.138 -0.666 -30.325 1.00 16.22 ? 194 THR A O 1 ATOM 1466 C CB . THR A 1 191 ? 5.410 1.687 -29.388 1.00 12.77 ? 194 THR A CB 1 ATOM 1467 O OG1 . THR A 1 191 ? 4.645 2.385 -28.404 1.00 16.12 ? 194 THR A OG1 1 ATOM 1468 C CG2 . THR A 1 191 ? 5.003 2.143 -30.806 1.00 18.45 ? 194 THR A CG2 1 ATOM 1469 N N . VAL A 1 192 ? 5.143 -1.055 -31.293 1.00 15.83 ? 195 VAL A N 1 ATOM 1470 C CA . VAL A 1 192 ? 5.681 -1.563 -32.544 1.00 14.23 ? 195 VAL A CA 1 ATOM 1471 C C . VAL A 1 192 ? 5.373 -0.482 -33.582 1.00 15.29 ? 195 VAL A C 1 ATOM 1472 O O . VAL A 1 192 ? 4.257 0.038 -33.631 1.00 18.56 ? 195 VAL A O 1 ATOM 1473 C CB . VAL A 1 192 ? 5.043 -2.905 -32.934 1.00 16.91 ? 195 VAL A CB 1 ATOM 1474 C CG1 . VAL A 1 192 ? 5.377 -3.280 -34.379 1.00 16.91 ? 195 VAL A CG1 1 ATOM 1475 C CG2 . VAL A 1 192 ? 5.505 -4.012 -31.958 1.00 17.49 ? 195 VAL A CG2 1 ATOM 1476 N N . ASP A 1 193 ? 6.374 -0.117 -34.367 1.00 16.96 ? 196 ASP A N 1 ATOM 1477 C CA . ASP A 1 193 ? 6.244 1.029 -35.278 1.00 17.18 ? 196 ASP A CA 1 ATOM 1478 C C . ASP A 1 193 ? 5.534 0.687 -36.585 1.00 22.84 ? 196 ASP A C 1 ATOM 1479 O O . ASP A 1 193 ? 4.792 1.509 -37.133 1.00 20.91 ? 196 ASP A O 1 ATOM 1480 C CB . ASP A 1 193 ? 7.618 1.625 -35.588 1.00 18.34 ? 196 ASP A CB 1 ATOM 1481 C CG . ASP A 1 193 ? 8.304 2.201 -34.364 1.00 20.70 ? 196 ASP A CG 1 ATOM 1482 O OD1 . ASP A 1 193 ? 7.611 2.717 -33.460 1.00 24.13 ? 196 ASP A OD1 1 ATOM 1483 O OD2 . ASP A 1 193 ? 9.548 2.142 -34.317 1.00 27.95 ? 196 ASP A OD2 1 ATOM 1484 N N . SER A 1 194 ? 5.759 -0.527 -37.073 1.00 18.59 ? 197 SER A N 1 ATOM 1485 C CA . SER A 1 194 ? 5.205 -0.961 -38.347 1.00 17.30 ? 197 SER A CA 1 ATOM 1486 C C . SER A 1 194 ? 5.432 -2.444 -38.528 1.00 19.27 ? 197 SER A C 1 ATOM 1487 O O . SER A 1 194 ? 6.321 -3.031 -37.907 1.00 19.03 ? 197 SER A O 1 ATOM 1488 C CB . SER A 1 194 ? 5.909 -0.238 -39.494 1.00 21.11 ? 197 SER A CB 1 ATOM 1489 O OG . SER A 1 194 ? 7.253 -0.661 -39.593 1.00 20.95 ? 197 SER A OG 1 ATOM 1490 N N . VAL A 1 195 ? 4.624 -3.042 -39.393 1.00 18.89 ? 198 VAL A N 1 ATOM 1491 C CA . VAL A 1 195 ? 4.856 -4.396 -39.859 1.00 16.86 ? 198 VAL A CA 1 ATOM 1492 C C . VAL A 1 195 ? 4.840 -4.320 -41.379 1.00 18.80 ? 198 VAL A C 1 ATOM 1493 O O . VAL A 1 195 ? 3.796 -4.096 -41.987 1.00 25.29 ? 198 VAL A O 1 ATOM 1494 C CB . VAL A 1 195 ? 3.765 -5.356 -39.394 1.00 19.54 ? 198 VAL A CB 1 ATOM 1495 C CG1 . VAL A 1 195 ? 3.965 -6.723 -40.035 1.00 26.05 ? 198 VAL A CG1 1 ATOM 1496 C CG2 . VAL A 1 195 ? 3.761 -5.459 -37.870 1.00 19.85 ? 198 VAL A CG2 1 ATOM 1497 N N . THR A 1 196 ? 6.000 -4.489 -41.982 1.00 15.72 ? 199 THR A N 1 ATOM 1498 C CA . THR A 1 196 ? 6.098 -4.397 -43.440 1.00 20.07 ? 199 THR A CA 1 ATOM 1499 C C . THR A 1 196 ? 6.446 -5.739 -44.078 1.00 24.80 ? 199 THR A C 1 ATOM 1500 O O . THR A 1 196 ? 7.128 -6.573 -43.483 1.00 20.39 ? 199 THR A O 1 ATOM 1501 C CB . THR A 1 196 ? 7.128 -3.346 -43.852 1.00 24.54 ? 199 THR A CB 1 ATOM 1502 O OG1 . THR A 1 196 ? 8.412 -3.717 -43.339 1.00 22.53 ? 199 THR A OG1 1 ATOM 1503 C CG2 . THR A 1 196 ? 6.738 -1.978 -43.297 1.00 24.72 ? 199 THR A CG2 1 ATOM 1504 N N . ILE A 1 197 ? 5.969 -5.941 -45.303 1.00 21.23 ? 200 ILE A N 1 ATOM 1505 C CA . ILE A 1 197 ? 6.256 -7.161 -46.042 1.00 20.86 ? 200 ILE A CA 1 ATOM 1506 C C . ILE A 1 197 ? 6.530 -6.737 -47.473 1.00 24.02 ? 200 ILE A C 1 ATOM 1507 O O . ILE A 1 197 ? 5.749 -5.979 -48.043 1.00 22.44 ? 200 ILE A O 1 ATOM 1508 C CB . ILE A 1 197 ? 5.060 -8.130 -46.000 1.00 19.53 ? 200 ILE A CB 1 ATOM 1509 C CG1 . ILE A 1 197 ? 4.639 -8.404 -44.548 1.00 21.14 ? 200 ILE A CG1 1 ATOM 1510 C CG2 . ILE A 1 197 ? 5.392 -9.438 -46.720 1.00 23.38 ? 200 ILE A CG2 1 ATOM 1511 C CD1 . ILE A 1 197 ? 3.445 -9.333 -44.425 1.00 23.87 ? 200 ILE A CD1 1 ATOM 1512 N N . ASN A 1 198 ? 7.646 -7.198 -48.035 1.00 24.13 ? 201 ASN A N 1 ATOM 1513 C CA . ASN A 1 198 ? 8.043 -6.796 -49.382 1.00 27.45 ? 201 ASN A CA 1 ATOM 1514 C C . ASN A 1 198 ? 8.226 -5.284 -49.487 1.00 28.97 ? 201 ASN A C 1 ATOM 1515 O O . ASN A 1 198 ? 8.005 -4.698 -50.546 1.00 28.15 ? 201 ASN A O 1 ATOM 1516 C CB . ASN A 1 198 ? 7.025 -7.287 -50.424 1.00 26.50 ? 201 ASN A CB 1 ATOM 1517 C CG . ASN A 1 198 ? 7.206 -8.758 -50.780 1.00 25.10 ? 201 ASN A CG 1 ATOM 1518 O OD1 . ASN A 1 198 ? 8.330 -9.244 -50.900 1.00 31.80 ? 201 ASN A OD1 1 ATOM 1519 N ND2 . ASN A 1 198 ? 6.096 -9.468 -50.952 1.00 30.49 ? 201 ASN A ND2 1 ATOM 1520 N N . GLY A 1 199 ? 8.614 -4.655 -48.381 1.00 29.06 ? 202 GLY A N 1 ATOM 1521 C CA . GLY A 1 199 ? 8.928 -3.235 -48.380 1.00 29.66 ? 202 GLY A CA 1 ATOM 1522 C C . GLY A 1 199 ? 7.743 -2.285 -48.407 1.00 29.54 ? 202 GLY A C 1 ATOM 1523 O O . GLY A 1 199 ? 7.902 -1.095 -48.697 1.00 27.62 ? 202 GLY A O 1 ATOM 1524 N N . VAL A 1 200 ? 6.554 -2.798 -48.113 1.00 23.21 ? 203 VAL A N 1 ATOM 1525 C CA . VAL A 1 200 ? 5.367 -1.951 -48.034 1.00 23.60 ? 203 VAL A CA 1 ATOM 1526 C C . VAL A 1 200 ? 4.613 -2.170 -46.731 1.00 25.76 ? 203 VAL A C 1 ATOM 1527 O O . VAL A 1 200 ? 4.697 -3.238 -46.115 1.00 21.18 ? 203 VAL A O 1 ATOM 1528 C CB . VAL A 1 200 ? 4.402 -2.139 -49.232 1.00 26.28 ? 203 VAL A CB 1 ATOM 1529 C CG1 . VAL A 1 200 ? 5.063 -1.687 -50.527 1.00 26.58 ? 203 VAL A CG1 1 ATOM 1530 C CG2 . VAL A 1 200 ? 3.924 -3.583 -49.332 1.00 25.44 ? 203 VAL A CG2 1 ATOM 1531 N N . ALA A 1 201 ? 3.880 -1.141 -46.322 1.00 22.18 ? 204 ALA A N 1 ATOM 1532 C CA . ALA A 1 201 ? 3.107 -1.174 -45.093 1.00 25.29 ? 204 ALA A CA 1 ATOM 1533 C C . ALA A 1 201 ? 1.969 -2.167 -45.228 1.00 26.49 ? 204 ALA A C 1 ATOM 1534 O O . ALA A 1 201 ? 1.176 -2.095 -46.167 1.00 27.02 ? 204 ALA A O 1 ATOM 1535 C CB . ALA A 1 201 ? 2.555 0.214 -44.794 1.00 28.17 ? 204 ALA A CB 1 ATOM 1536 N N . VAL A 1 202 ? 1.880 -3.105 -44.291 1.00 19.26 ? 205 VAL A N 1 ATOM 1537 C CA . VAL A 1 202 ? 0.777 -4.055 -44.335 1.00 20.19 ? 205 VAL A CA 1 ATOM 1538 C C . VAL A 1 202 ? -0.083 -4.001 -43.082 1.00 20.99 ? 205 VAL A C 1 ATOM 1539 O O . VAL A 1 202 ? -1.308 -3.942 -43.163 1.00 24.71 ? 205 VAL A O 1 ATOM 1540 C CB . VAL A 1 202 ? 1.269 -5.486 -44.604 1.00 22.48 ? 205 VAL A CB 1 ATOM 1541 C CG1 . VAL A 1 202 ? 0.105 -6.456 -44.548 1.00 20.81 ? 205 VAL A CG1 1 ATOM 1542 C CG2 . VAL A 1 202 ? 1.966 -5.556 -45.957 1.00 23.61 ? 205 VAL A CG2 1 ATOM 1543 N N . ALA A 1 203 ? 0.565 -3.990 -41.921 1.00 18.69 ? 206 ALA A N 1 ATOM 1544 C CA . ALA A 1 203 ? -0.145 -4.009 -40.650 1.00 18.28 ? 206 ALA A CA 1 ATOM 1545 C C . ALA A 1 203 ? 0.533 -3.059 -39.682 1.00 15.75 ? 206 ALA A C 1 ATOM 1546 O O . ALA A 1 203 ? 1.652 -2.599 -39.932 1.00 18.36 ? 206 ALA A O 1 ATOM 1547 C CB . ALA A 1 203 ? -0.178 -5.433 -40.061 1.00 20.13 ? 206 ALA A CB 1 ATOM 1548 N N . CYS A 1 204 ? -0.139 -2.772 -38.574 1.00 19.88 ? 207 CYS A N 1 ATOM 1549 C CA A CYS A 1 204 ? 0.399 -1.854 -37.588 0.81 19.82 ? 207 CYS A CA 1 ATOM 1550 C CA B CYS A 1 204 ? 0.420 -1.858 -37.588 0.19 19.87 ? 207 CYS A CA 1 ATOM 1551 C C . CYS A 1 204 ? 0.802 -0.561 -38.274 1.00 21.22 ? 207 CYS A C 1 ATOM 1552 O O . CYS A 1 204 ? 1.872 0.000 -38.003 1.00 22.21 ? 207 CYS A O 1 ATOM 1553 C CB A CYS A 1 204 ? 1.615 -2.469 -36.913 0.81 21.13 ? 207 CYS A CB 1 ATOM 1554 C CB B CYS A 1 204 ? 1.670 -2.459 -36.943 0.19 21.04 ? 207 CYS A CB 1 ATOM 1555 S SG A CYS A 1 204 ? 2.124 -1.558 -35.460 0.81 18.38 ? 207 CYS A SG 1 ATOM 1556 S SG B CYS A 1 204 ? 1.364 -3.550 -35.546 0.19 21.89 ? 207 CYS A SG 1 ATOM 1557 N N . VAL A 1 205 ? -0.054 -0.103 -39.176 1.00 21.63 ? 208 VAL A N 1 ATOM 1558 C CA . VAL A 1 205 ? 0.247 1.113 -39.917 1.00 20.84 ? 208 VAL A CA 1 ATOM 1559 C C . VAL A 1 205 ? 0.041 2.321 -39.022 1.00 19.29 ? 208 VAL A C 1 ATOM 1560 O O . VAL A 1 205 ? -1.055 2.567 -38.515 1.00 21.97 ? 208 VAL A O 1 ATOM 1561 C CB . VAL A 1 205 ? -0.598 1.220 -41.189 1.00 22.98 ? 208 VAL A CB 1 ATOM 1562 C CG1 . VAL A 1 205 ? -0.238 2.486 -41.945 1.00 24.62 ? 208 VAL A CG1 1 ATOM 1563 C CG2 . VAL A 1 205 ? -0.372 -0.001 -42.058 1.00 23.21 ? 208 VAL A CG2 1 ATOM 1564 N N . GLY A 1 206 ? 1.120 3.059 -38.804 1.00 22.02 ? 209 GLY A N 1 ATOM 1565 C CA . GLY A 1 206 ? 1.085 4.194 -37.904 1.00 23.38 ? 209 GLY A CA 1 ATOM 1566 C C . GLY A 1 206 ? 1.456 3.791 -36.491 1.00 25.90 ? 209 GLY A C 1 ATOM 1567 O O . GLY A 1 206 ? 1.377 4.597 -35.568 1.00 26.13 ? 209 GLY A O 1 ATOM 1568 N N . GLY A 1 207 ? 1.867 2.535 -36.329 1.00 19.42 ? 210 GLY A N 1 ATOM 1569 C CA . GLY A 1 207 ? 2.243 2.014 -35.020 1.00 19.95 ? 210 GLY A CA 1 ATOM 1570 C C . GLY A 1 207 ? 1.107 1.345 -34.266 1.00 19.50 ? 210 GLY A C 1 ATOM 1571 O O . GLY A 1 207 ? -0.071 1.530 -34.575 1.00 22.17 ? 210 GLY A O 1 ATOM 1572 N N . CYS A 1 208 ? 1.465 0.561 -33.251 1.00 18.17 ? 211 CYS A N 1 ATOM 1573 C CA . CYS A 1 208 ? 0.494 -0.201 -32.485 1.00 15.27 ? 211 CYS A CA 1 ATOM 1574 C C . CYS A 1 208 ? 1.134 -0.644 -31.179 1.00 15.16 ? 211 CYS A C 1 ATOM 1575 O O . CYS A 1 208 ? 2.344 -0.502 -31.001 1.00 17.32 ? 211 CYS A O 1 ATOM 1576 C CB . CYS A 1 208 ? 0.057 -1.447 -33.259 1.00 18.45 ? 211 CYS A CB 1 ATOM 1577 S SG . CYS A 1 208 ? 1.419 -2.503 -33.799 1.00 20.41 ? 211 CYS A SG 1 ATOM 1578 N N . GLN A 1 209 ? 0.315 -1.196 -30.289 1.00 15.20 ? 212 GLN A N 1 ATOM 1579 C CA . GLN A 1 209 ? 0.802 -1.722 -29.006 1.00 14.50 ? 212 GLN A CA 1 ATOM 1580 C C . GLN A 1 209 ? 0.954 -3.241 -29.072 1.00 17.29 ? 212 GLN A C 1 ATOM 1581 O O . GLN A 1 209 ? 0.089 -3.931 -29.620 1.00 15.77 ? 212 GLN A O 1 ATOM 1582 C CB . GLN A 1 209 ? -0.160 -1.332 -27.889 1.00 14.68 ? 212 GLN A CB 1 ATOM 1583 C CG . GLN A 1 209 ? -0.152 0.167 -27.573 1.00 13.95 ? 212 GLN A CG 1 ATOM 1584 C CD . GLN A 1 209 ? 1.197 0.633 -27.072 1.00 15.36 ? 212 GLN A CD 1 ATOM 1585 O OE1 . GLN A 1 209 ? 1.598 0.313 -25.951 1.00 16.08 ? 212 GLN A OE1 1 ATOM 1586 N NE2 . GLN A 1 209 ? 1.921 1.374 -27.910 1.00 16.52 ? 212 GLN A NE2 1 ATOM 1587 N N . ALA A 1 210 ? 2.058 -3.748 -28.519 1.00 13.20 ? 213 ALA A N 1 ATOM 1588 C CA . ALA A 1 210 ? 2.328 -5.182 -28.493 1.00 11.18 ? 213 ALA A CA 1 ATOM 1589 C C . ALA A 1 210 ? 2.813 -5.594 -27.114 1.00 13.34 ? 213 ALA A C 1 ATOM 1590 O O . ALA A 1 210 ? 3.301 -4.764 -26.344 1.00 14.67 ? 213 ALA A O 1 ATOM 1591 C CB . ALA A 1 210 ? 3.394 -5.524 -29.493 1.00 12.35 ? 213 ALA A CB 1 ATOM 1592 N N . ILE A 1 211 ? 2.688 -6.882 -26.818 1.00 13.82 ? 214 ILE A N 1 ATOM 1593 C CA . ILE A 1 211 ? 3.306 -7.446 -25.617 1.00 12.60 ? 214 ILE A CA 1 ATOM 1594 C C . ILE A 1 211 ? 4.157 -8.649 -25.989 1.00 12.31 ? 214 ILE A C 1 ATOM 1595 O O . ILE A 1 211 ? 3.924 -9.300 -27.010 1.00 13.87 ? 214 ILE A O 1 ATOM 1596 C CB . ILE A 1 211 ? 2.266 -7.850 -24.554 1.00 12.42 ? 214 ILE A CB 1 ATOM 1597 C CG1 . ILE A 1 211 ? 1.419 -9.049 -25.009 1.00 13.55 ? 214 ILE A CG1 1 ATOM 1598 C CG2 . ILE A 1 211 ? 1.402 -6.646 -24.184 1.00 16.05 ? 214 ILE A CG2 1 ATOM 1599 C CD1 . ILE A 1 211 ? 0.542 -9.609 -23.890 1.00 14.91 ? 214 ILE A CD1 1 ATOM 1600 N N . LEU A 1 212 ? 5.177 -8.932 -25.186 1.00 12.21 ? 215 LEU A N 1 ATOM 1601 C CA . LEU A 1 212 ? 5.908 -10.180 -25.342 1.00 12.83 ? 215 LEU A CA 1 ATOM 1602 C C . LEU A 1 212 ? 5.308 -11.193 -24.373 1.00 13.60 ? 215 LEU A C 1 ATOM 1603 O O . LEU A 1 212 ? 5.350 -10.986 -23.154 1.00 15.26 ? 215 LEU A O 1 ATOM 1604 C CB . LEU A 1 212 ? 7.383 -9.980 -24.996 1.00 16.79 ? 215 LEU A CB 1 ATOM 1605 C CG . LEU A 1 212 ? 8.341 -9.444 -26.035 1.00 22.01 ? 215 LEU A CG 1 ATOM 1606 C CD1 . LEU A 1 212 ? 9.750 -9.604 -25.518 1.00 16.95 ? 215 LEU A CD1 1 ATOM 1607 C CD2 . LEU A 1 212 ? 8.169 -10.199 -27.340 1.00 21.82 ? 215 LEU A CD2 1 ATOM 1608 N N . ASP A 1 213 ? 4.749 -12.275 -24.912 1.00 12.87 ? 216 ASP A N 1 ATOM 1609 C CA . ASP A 1 213 ? 3.985 -13.227 -24.106 1.00 12.81 ? 216 ASP A CA 1 ATOM 1610 C C . ASP A 1 213 ? 4.472 -14.669 -24.278 1.00 13.43 ? 216 ASP A C 1 ATOM 1611 O O . ASP A 1 213 ? 4.120 -15.366 -25.244 1.00 14.28 ? 216 ASP A O 1 ATOM 1612 C CB . ASP A 1 213 ? 2.491 -13.122 -24.430 1.00 15.06 ? 216 ASP A CB 1 ATOM 1613 C CG . ASP A 1 213 ? 1.639 -14.007 -23.542 1.00 19.92 ? 216 ASP A CG 1 ATOM 1614 O OD1 . ASP A 1 213 ? 2.202 -14.725 -22.698 1.00 20.46 ? 216 ASP A OD1 1 ATOM 1615 O OD2 . ASP A 1 213 ? 0.404 -13.982 -23.677 1.00 23.53 ? 216 ASP A OD2 1 ATOM 1616 N N . THR A 1 214 ? 5.275 -15.121 -23.320 1.00 12.58 ? 217 THR A N 1 ATOM 1617 C CA . THR A 1 214 ? 5.871 -16.446 -23.393 1.00 11.30 ? 217 THR A CA 1 ATOM 1618 C C . THR A 1 214 ? 4.863 -17.580 -23.258 1.00 16.35 ? 217 THR A C 1 ATOM 1619 O O . THR A 1 214 ? 5.181 -18.726 -23.567 1.00 17.63 ? 217 THR A O 1 ATOM 1620 C CB . THR A 1 214 ? 6.926 -16.632 -22.274 1.00 11.56 ? 217 THR A CB 1 ATOM 1621 O OG1 . THR A 1 214 ? 6.323 -16.324 -21.012 1.00 12.69 ? 217 THR A OG1 1 ATOM 1622 C CG2 . THR A 1 214 ? 8.077 -15.703 -22.472 1.00 12.78 ? 217 THR A CG2 1 ATOM 1623 N N . GLY A 1 215 ? 3.661 -17.268 -22.783 1.00 15.01 ? 218 GLY A N 1 ATOM 1624 C CA . GLY A 1 215 ? 2.629 -18.276 -22.604 1.00 14.50 ? 218 GLY A CA 1 ATOM 1625 C C . GLY A 1 215 ? 1.948 -18.696 -23.900 1.00 19.75 ? 218 GLY A C 1 ATOM 1626 O O . GLY A 1 215 ? 1.334 -19.759 -23.970 1.00 20.04 ? 218 GLY A O 1 ATOM 1627 N N . THR A 1 216 ? 2.083 -17.861 -24.929 1.00 16.85 ? 219 THR A N 1 ATOM 1628 C CA . THR A 1 216 ? 1.350 -18.023 -26.190 1.00 17.14 ? 219 THR A CA 1 ATOM 1629 C C . THR A 1 216 ? 2.257 -18.619 -27.260 1.00 18.65 ? 219 THR A C 1 ATOM 1630 O O . THR A 1 216 ? 3.397 -18.187 -27.426 1.00 18.45 ? 219 THR A O 1 ATOM 1631 C CB . THR A 1 216 ? 0.843 -16.646 -26.694 1.00 19.59 ? 219 THR A CB 1 ATOM 1632 O OG1 . THR A 1 216 ? -0.029 -16.054 -25.719 1.00 25.24 ? 219 THR A OG1 1 ATOM 1633 C CG2 . THR A 1 216 ? 0.090 -16.798 -28.009 1.00 25.97 ? 219 THR A CG2 1 ATOM 1634 N N . SER A 1 217 ? 1.762 -19.600 -28.010 1.00 18.20 ? 220 SER A N 1 ATOM 1635 C CA . SER A 1 217 ? 2.591 -20.185 -29.050 1.00 20.30 ? 220 SER A CA 1 ATOM 1636 C C . SER A 1 217 ? 2.637 -19.332 -30.314 1.00 22.23 ? 220 SER A C 1 ATOM 1637 O O . SER A 1 217 ? 3.666 -19.291 -30.983 1.00 24.46 ? 220 SER A O 1 ATOM 1638 C CB . SER A 1 217 ? 2.153 -21.618 -29.382 1.00 28.11 ? 220 SER A CB 1 ATOM 1639 O OG . SER A 1 217 ? 0.825 -21.647 -29.872 1.00 32.76 ? 220 SER A OG 1 ATOM 1640 N N . VAL A 1 218 ? 1.538 -18.647 -30.628 1.00 17.84 ? 221 VAL A N 1 ATOM 1641 C CA . VAL A 1 218 ? 1.415 -17.977 -31.925 1.00 19.37 ? 221 VAL A CA 1 ATOM 1642 C C . VAL A 1 218 ? 1.627 -16.471 -31.832 1.00 17.99 ? 221 VAL A C 1 ATOM 1643 O O . VAL A 1 218 ? 1.996 -15.947 -30.776 1.00 17.40 ? 221 VAL A O 1 ATOM 1644 C CB . VAL A 1 218 ? 0.053 -18.266 -32.596 1.00 24.22 ? 221 VAL A CB 1 ATOM 1645 C CG1 . VAL A 1 218 ? -0.154 -19.768 -32.756 1.00 29.31 ? 221 VAL A CG1 1 ATOM 1646 C CG2 . VAL A 1 218 ? -1.073 -17.646 -31.807 1.00 21.76 ? 221 VAL A CG2 1 ATOM 1647 N N . LEU A 1 219 ? 1.413 -15.778 -32.944 1.00 16.52 ? 222 LEU A N 1 ATOM 1648 C CA . LEU A 1 219 ? 1.527 -14.333 -32.966 1.00 14.10 ? 222 LEU A CA 1 ATOM 1649 C C . LEU A 1 219 ? 0.142 -13.779 -33.277 1.00 17.44 ? 222 LEU A C 1 ATOM 1650 O O . LEU A 1 219 ? -0.365 -13.956 -34.391 1.00 17.77 ? 222 LEU A O 1 ATOM 1651 C CB . LEU A 1 219 ? 2.555 -13.896 -34.014 1.00 15.90 ? 222 LEU A CB 1 ATOM 1652 C CG . LEU A 1 219 ? 3.165 -12.506 -33.829 1.00 18.33 ? 222 LEU A CG 1 ATOM 1653 C CD1 . LEU A 1 219 ? 4.460 -12.375 -34.616 1.00 17.15 ? 222 LEU A CD1 1 ATOM 1654 C CD2 . LEU A 1 219 ? 2.173 -11.419 -34.227 1.00 17.43 ? 222 LEU A CD2 1 ATOM 1655 N N . PHE A 1 220 ? -0.475 -13.139 -32.286 1.00 15.97 ? 223 PHE A N 1 ATOM 1656 C CA . PHE A 1 220 ? -1.823 -12.575 -32.429 1.00 16.66 ? 223 PHE A CA 1 ATOM 1657 C C . PHE A 1 220 ? -1.793 -11.108 -32.812 1.00 18.88 ? 223 PHE A C 1 ATOM 1658 O O . PHE A 1 220 ? -0.905 -10.368 -32.397 1.00 16.69 ? 223 PHE A O 1 ATOM 1659 C CB . PHE A 1 220 ? -2.603 -12.665 -31.117 1.00 17.55 ? 223 PHE A CB 1 ATOM 1660 C CG . PHE A 1 220 ? -3.176 -14.018 -30.818 1.00 22.12 ? 223 PHE A CG 1 ATOM 1661 C CD1 . PHE A 1 220 ? -4.402 -14.397 -31.332 1.00 25.05 ? 223 PHE A CD1 1 ATOM 1662 C CD2 . PHE A 1 220 ? -2.506 -14.893 -29.979 1.00 25.35 ? 223 PHE A CD2 1 ATOM 1663 C CE1 . PHE A 1 220 ? -4.938 -15.636 -31.035 1.00 29.72 ? 223 PHE A CE1 1 ATOM 1664 C CE2 . PHE A 1 220 ? -3.039 -16.134 -29.678 1.00 29.32 ? 223 PHE A CE2 1 ATOM 1665 C CZ . PHE A 1 220 ? -4.255 -16.503 -30.210 1.00 27.46 ? 223 PHE A CZ 1 ATOM 1666 N N . GLY A 1 221 ? -2.790 -10.691 -33.592 1.00 18.65 ? 224 GLY A N 1 ATOM 1667 C CA . GLY A 1 221 ? -3.003 -9.283 -33.879 1.00 19.19 ? 224 GLY A CA 1 ATOM 1668 C C . GLY A 1 221 ? -4.462 -9.058 -34.228 1.00 20.92 ? 224 GLY A C 1 ATOM 1669 O O . GLY A 1 221 ? -5.217 -10.021 -34.371 1.00 19.05 ? 224 GLY A O 1 ATOM 1670 N N . PRO A 1 222 ? -4.871 -7.785 -34.350 1.00 19.43 ? 225 PRO A N 1 ATOM 1671 C CA . PRO A 1 222 ? -6.236 -7.484 -34.801 1.00 21.49 ? 225 PRO A CA 1 ATOM 1672 C C . PRO A 1 222 ? -6.541 -8.212 -36.115 1.00 20.08 ? 225 PRO A C 1 ATOM 1673 O O . PRO A 1 222 ? -5.703 -8.242 -37.015 1.00 19.46 ? 225 PRO A O 1 ATOM 1674 C CB . PRO A 1 222 ? -6.224 -5.957 -34.979 1.00 24.02 ? 225 PRO A CB 1 ATOM 1675 C CG . PRO A 1 222 ? -4.774 -5.546 -34.934 1.00 22.04 ? 225 PRO A CG 1 ATOM 1676 C CD . PRO A 1 222 ? -4.079 -6.569 -34.101 1.00 21.28 ? 225 PRO A CD 1 ATOM 1677 N N . SER A 1 223 ? -7.741 -8.780 -36.223 1.00 23.26 ? 226 SER A N 1 ATOM 1678 C CA A SER A 1 223 ? -8.117 -9.597 -37.380 0.64 24.81 ? 226 SER A CA 1 ATOM 1679 C CA B SER A 1 223 ? -8.110 -9.600 -37.376 0.36 24.83 ? 226 SER A CA 1 ATOM 1680 C C . SER A 1 223 ? -7.887 -8.917 -38.726 1.00 22.28 ? 226 SER A C 1 ATOM 1681 O O . SER A 1 223 ? -7.356 -9.523 -39.651 1.00 23.51 ? 226 SER A O 1 ATOM 1682 C CB A SER A 1 223 ? -9.581 -10.034 -37.275 0.64 28.33 ? 226 SER A CB 1 ATOM 1683 C CB B SER A 1 223 ? -9.564 -10.060 -37.253 0.36 28.36 ? 226 SER A CB 1 ATOM 1684 O OG A SER A 1 223 ? -9.773 -10.916 -36.187 0.64 30.65 ? 226 SER A OG 1 ATOM 1685 O OG B SER A 1 223 ? -10.415 -8.961 -36.986 0.36 30.17 ? 226 SER A OG 1 ATOM 1686 N N . SER A 1 224 ? -8.292 -7.657 -38.845 1.00 26.44 ? 227 SER A N 1 ATOM 1687 C CA . SER A 1 224 ? -8.136 -6.975 -40.127 1.00 25.90 ? 227 SER A CA 1 ATOM 1688 C C . SER A 1 224 ? -6.676 -6.934 -40.570 1.00 19.97 ? 227 SER A C 1 ATOM 1689 O O . SER A 1 224 ? -6.358 -7.234 -41.719 1.00 25.62 ? 227 SER A O 1 ATOM 1690 C CB . SER A 1 224 ? -8.737 -5.566 -40.084 1.00 29.18 ? 227 SER A CB 1 ATOM 1691 O OG . SER A 1 224 ? -8.062 -4.747 -39.151 1.00 37.80 ? 227 SER A OG 1 ATOM 1692 N N . ASP A 1 225 ? -5.777 -6.579 -39.652 1.00 20.98 ? 228 ASP A N 1 ATOM 1693 C CA . ASP A 1 225 ? -4.359 -6.515 -39.979 1.00 18.38 ? 228 ASP A CA 1 ATOM 1694 C C . ASP A 1 225 ? -3.800 -7.897 -40.284 1.00 15.00 ? 228 ASP A C 1 ATOM 1695 O O . ASP A 1 225 ? -2.958 -8.053 -41.161 1.00 17.67 ? 228 ASP A O 1 ATOM 1696 C CB . ASP A 1 225 ? -3.538 -5.948 -38.808 1.00 19.82 ? 228 ASP A CB 1 ATOM 1697 C CG . ASP A 1 225 ? -3.800 -4.478 -38.544 1.00 28.63 ? 228 ASP A CG 1 ATOM 1698 O OD1 . ASP A 1 225 ? -4.974 -4.057 -38.609 1.00 35.03 ? 228 ASP A OD1 1 ATOM 1699 O OD2 . ASP A 1 225 ? -2.821 -3.752 -38.235 1.00 23.10 ? 228 ASP A OD2 1 ATOM 1700 N N . ILE A 1 226 ? -4.222 -8.884 -39.494 1.00 19.46 ? 229 ILE A N 1 ATOM 1701 C CA . ILE A 1 226 ? -3.694 -10.232 -39.643 1.00 18.47 ? 229 ILE A CA 1 ATOM 1702 C C . ILE A 1 226 ? -4.098 -10.811 -40.990 1.00 16.75 ? 229 ILE A C 1 ATOM 1703 O O . ILE A 1 226 ? -3.291 -11.449 -41.661 1.00 19.00 ? 229 ILE A O 1 ATOM 1704 C CB . ILE A 1 226 ? -4.128 -11.165 -38.497 1.00 17.59 ? 229 ILE A CB 1 ATOM 1705 C CG1 . ILE A 1 226 ? -3.422 -10.763 -37.198 1.00 19.88 ? 229 ILE A CG1 1 ATOM 1706 C CG2 . ILE A 1 226 ? -3.803 -12.622 -38.851 1.00 19.67 ? 229 ILE A CG2 1 ATOM 1707 C CD1 . ILE A 1 226 ? -1.961 -11.136 -37.175 1.00 19.45 ? 229 ILE A CD1 1 ATOM 1708 N N . LEU A 1 227 ? -5.336 -10.555 -41.397 1.00 21.65 ? 230 LEU A N 1 ATOM 1709 C CA . LEU A 1 227 ? -5.798 -11.031 -42.698 1.00 23.24 ? 230 LEU A CA 1 ATOM 1710 C C . LEU A 1 227 ? -4.959 -10.447 -43.828 1.00 22.21 ? 230 LEU A C 1 ATOM 1711 O O . LEU A 1 227 ? -4.662 -11.133 -44.805 1.00 23.56 ? 230 LEU A O 1 ATOM 1712 C CB . LEU A 1 227 ? -7.282 -10.728 -42.907 1.00 23.83 ? 230 LEU A CB 1 ATOM 1713 C CG . LEU A 1 227 ? -7.843 -11.228 -44.245 1.00 32.07 ? 230 LEU A CG 1 ATOM 1714 C CD1 . LEU A 1 227 ? -7.547 -12.712 -44.443 1.00 35.00 ? 230 LEU A CD1 1 ATOM 1715 C CD2 . LEU A 1 227 ? -9.336 -10.962 -44.337 1.00 31.76 ? 230 LEU A CD2 1 ATOM 1716 N N . LYS A 1 228 ? -4.557 -9.188 -43.686 1.00 20.17 ? 231 LYS A N 1 ATOM 1717 C CA . LYS A 1 228 ? -3.670 -8.580 -44.669 1.00 21.06 ? 231 LYS A CA 1 ATOM 1718 C C . LYS A 1 228 ? -2.320 -9.281 -44.697 1.00 19.76 ? 231 LYS A C 1 ATOM 1719 O O . LYS A 1 228 ? -1.721 -9.450 -45.745 1.00 21.60 ? 231 LYS A O 1 ATOM 1720 C CB . LYS A 1 228 ? -3.504 -7.074 -44.414 1.00 23.71 ? 231 LYS A CB 1 ATOM 1721 C CG . LYS A 1 228 ? -4.799 -6.287 -44.582 1.00 28.21 ? 231 LYS A CG 1 ATOM 1722 C CD . LYS A 1 228 ? -4.613 -4.808 -44.263 1.00 35.42 ? 231 LYS A CD 1 ATOM 1723 C CE . LYS A 1 228 ? -5.952 -4.078 -44.265 1.00 44.70 ? 231 LYS A CE 1 ATOM 1724 N NZ . LYS A 1 228 ? -5.842 -2.666 -43.784 1.00 45.47 ? 231 LYS A NZ 1 ATOM 1725 N N . ILE A 1 229 ? -1.831 -9.695 -43.532 1.00 19.43 ? 232 ILE A N 1 ATOM 1726 C CA . ILE A 1 229 ? -0.587 -10.440 -43.494 1.00 15.26 ? 232 ILE A CA 1 ATOM 1727 C C . ILE A 1 229 ? -0.727 -11.816 -44.158 1.00 17.15 ? 232 ILE A C 1 ATOM 1728 O O . ILE A 1 229 ? 0.140 -12.220 -44.933 1.00 18.62 ? 232 ILE A O 1 ATOM 1729 C CB . ILE A 1 229 ? -0.073 -10.618 -42.036 1.00 16.42 ? 232 ILE A CB 1 ATOM 1730 C CG1 . ILE A 1 229 ? 0.316 -9.258 -41.448 1.00 18.25 ? 232 ILE A CG1 1 ATOM 1731 C CG2 . ILE A 1 229 ? 1.116 -11.553 -42.017 1.00 19.20 ? 232 ILE A CG2 1 ATOM 1732 C CD1 . ILE A 1 229 ? 0.795 -9.327 -39.988 1.00 17.44 ? 232 ILE A CD1 1 ATOM 1733 N N . GLN A 1 230 ? -1.813 -12.527 -43.855 1.00 19.44 ? 233 GLN A N 1 ATOM 1734 C CA . GLN A 1 230 ? -2.023 -13.851 -44.441 1.00 17.31 ? 233 GLN A CA 1 ATOM 1735 C C . GLN A 1 230 ? -2.009 -13.739 -45.962 1.00 21.64 ? 233 GLN A C 1 ATOM 1736 O O . GLN A 1 230 ? -1.370 -14.535 -46.643 1.00 19.20 ? 233 GLN A O 1 ATOM 1737 C CB . GLN A 1 230 ? -3.346 -14.479 -43.989 1.00 17.76 ? 233 GLN A CB 1 ATOM 1738 C CG . GLN A 1 230 ? -3.593 -14.532 -42.477 1.00 16.99 ? 233 GLN A CG 1 ATOM 1739 C CD . GLN A 1 230 ? -2.696 -15.513 -41.731 1.00 14.72 ? 233 GLN A CD 1 ATOM 1740 O OE1 . GLN A 1 230 ? -1.606 -15.868 -42.186 1.00 18.97 ? 233 GLN A OE1 1 ATOM 1741 N NE2 . GLN A 1 230 ? -3.154 -15.936 -40.560 1.00 19.47 ? 233 GLN A NE2 1 ATOM 1742 N N . MET A 1 231 ? -2.691 -12.728 -46.484 1.00 22.17 ? 234 MET A N 1 ATOM 1743 C CA . MET A 1 231 ? -2.746 -12.543 -47.930 1.00 22.17 ? 234 MET A CA 1 ATOM 1744 C C . MET A 1 231 ? -1.373 -12.201 -48.498 1.00 20.68 ? 234 MET A C 1 ATOM 1745 O O . MET A 1 231 ? -0.975 -12.723 -49.543 1.00 23.17 ? 234 MET A O 1 ATOM 1746 C CB . MET A 1 231 ? -3.771 -11.470 -48.296 1.00 22.51 ? 234 MET A CB 1 ATOM 1747 C CG . MET A 1 231 ? -5.210 -11.876 -48.006 1.00 35.16 ? 234 MET A CG 1 ATOM 1748 S SD . MET A 1 231 ? -5.714 -13.434 -48.788 1.00 42.18 ? 234 MET A SD 1 ATOM 1749 C CE . MET A 1 231 ? -5.377 -14.654 -47.509 1.00 26.23 ? 234 MET A CE 1 ATOM 1750 N N . ALA A 1 232 ? -0.643 -11.332 -47.800 1.00 20.65 ? 235 ALA A N 1 ATOM 1751 C CA . ALA A 1 232 ? 0.684 -10.934 -48.249 1.00 21.36 ? 235 ALA A CA 1 ATOM 1752 C C . ALA A 1 232 ? 1.704 -12.064 -48.236 1.00 23.96 ? 235 ALA A C 1 ATOM 1753 O O . ALA A 1 232 ? 2.666 -12.032 -48.996 1.00 24.48 ? 235 ALA A O 1 ATOM 1754 C CB . ALA A 1 232 ? 1.197 -9.739 -47.450 1.00 23.14 ? 235 ALA A CB 1 ATOM 1755 N N . ILE A 1 233 ? 1.516 -13.057 -47.368 1.00 21.12 ? 236 ILE A N 1 ATOM 1756 C CA . ILE A 1 233 ? 2.457 -14.173 -47.326 1.00 17.68 ? 236 ILE A CA 1 ATOM 1757 C C . ILE A 1 233 ? 2.018 -15.336 -48.213 1.00 22.93 ? 236 ILE A C 1 ATOM 1758 O O . ILE A 1 233 ? 2.708 -16.352 -48.311 1.00 24.88 ? 236 ILE A O 1 ATOM 1759 C CB . ILE A 1 233 ? 2.723 -14.671 -45.871 1.00 19.92 ? 236 ILE A CB 1 ATOM 1760 C CG1 . ILE A 1 233 ? 1.459 -15.270 -45.264 1.00 18.44 ? 236 ILE A CG1 1 ATOM 1761 C CG2 . ILE A 1 233 ? 3.271 -13.527 -45.020 1.00 22.73 ? 236 ILE A CG2 1 ATOM 1762 C CD1 . ILE A 1 233 ? 1.674 -15.899 -43.879 1.00 21.98 ? 236 ILE A CD1 1 ATOM 1763 N N . GLY A 1 234 ? 0.868 -15.174 -48.862 1.00 23.76 ? 237 GLY A N 1 ATOM 1764 C CA . GLY A 1 234 ? 0.386 -16.172 -49.804 1.00 24.21 ? 237 GLY A CA 1 ATOM 1765 C C . GLY A 1 234 ? -0.296 -17.344 -49.130 1.00 26.89 ? 237 GLY A C 1 ATOM 1766 O O . GLY A 1 234 ? -0.382 -18.438 -49.702 1.00 28.54 ? 237 GLY A O 1 ATOM 1767 N N . ALA A 1 235 ? -0.771 -17.122 -47.907 1.00 23.63 ? 238 ALA A N 1 ATOM 1768 C CA . ALA A 1 235 ? -1.504 -18.152 -47.184 1.00 23.81 ? 238 ALA A CA 1 ATOM 1769 C C . ALA A 1 235 ? -2.978 -18.144 -47.565 1.00 28.18 ? 238 ALA A C 1 ATOM 1770 O O . ALA A 1 235 ? -3.526 -17.114 -47.968 1.00 30.18 ? 238 ALA A O 1 ATOM 1771 C CB . ALA A 1 235 ? -1.340 -17.972 -45.682 1.00 22.32 ? 238 ALA A CB 1 ATOM 1772 N N . THR A 1 236 ? -3.614 -19.303 -47.430 1.00 24.92 ? 239 THR A N 1 ATOM 1773 C CA . THR A 1 236 ? -5.014 -19.474 -47.787 1.00 26.53 ? 239 THR A CA 1 ATOM 1774 C C . THR A 1 236 ? -5.778 -20.076 -46.614 1.00 25.23 ? 239 THR A C 1 ATOM 1775 O O . THR A 1 236 ? -5.294 -21.008 -45.971 1.00 23.66 ? 239 THR A O 1 ATOM 1776 C CB . THR A 1 236 ? -5.147 -20.416 -49.014 1.00 24.64 ? 239 THR A CB 1 ATOM 1777 O OG1 . THR A 1 236 ? -4.411 -19.867 -50.117 1.00 35.13 ? 239 THR A OG1 1 ATOM 1778 C CG2 . THR A 1 236 ? -6.597 -20.578 -49.414 1.00 33.70 ? 239 THR A CG2 1 ATOM 1779 N N . GLU A 1 237 ? -6.968 -19.551 -46.334 1.00 22.47 ? 240 GLU A N 1 ATOM 1780 C CA . GLU A 1 237 ? -7.792 -20.080 -45.259 1.00 23.21 ? 240 GLU A CA 1 ATOM 1781 C C . GLU A 1 237 ? -8.245 -21.507 -45.556 1.00 26.21 ? 240 GLU A C 1 ATOM 1782 O O . GLU A 1 237 ? -8.614 -21.832 -46.688 1.00 28.63 ? 240 GLU A O 1 ATOM 1783 C CB . GLU A 1 237 ? -9.010 -19.195 -45.001 1.00 28.31 ? 240 GLU A CB 1 ATOM 1784 C CG . GLU A 1 237 ? -9.758 -19.572 -43.733 1.00 31.91 ? 240 GLU A CG 1 ATOM 1785 C CD . GLU A 1 237 ? -10.899 -18.626 -43.412 1.00 40.36 ? 240 GLU A CD 1 ATOM 1786 O OE1 . GLU A 1 237 ? -11.135 -17.680 -44.192 1.00 41.41 ? 240 GLU A OE1 1 ATOM 1787 O OE2 . GLU A 1 237 ? -11.559 -18.836 -42.375 1.00 38.22 ? 240 GLU A OE2 1 ATOM 1788 N N . ASN A 1 238 ? -8.205 -22.359 -44.538 1.00 21.33 ? 241 ASN A N 1 ATOM 1789 C CA . ASN A 1 238 ? -8.722 -23.719 -44.683 1.00 18.99 ? 241 ASN A CA 1 ATOM 1790 C C . ASN A 1 238 ? -9.971 -23.950 -43.839 1.00 23.71 ? 241 ASN A C 1 ATOM 1791 O O . ASN A 1 238 ? -10.434 -23.050 -43.135 1.00 23.00 ? 241 ASN A O 1 ATOM 1792 C CB . ASN A 1 238 ? -7.639 -24.772 -44.399 1.00 19.96 ? 241 ASN A CB 1 ATOM 1793 C CG . ASN A 1 238 ? -7.186 -24.793 -42.946 1.00 21.32 ? 241 ASN A CG 1 ATOM 1794 O OD1 . ASN A 1 238 ? -7.960 -24.518 -42.029 1.00 21.64 ? 241 ASN A OD1 1 ATOM 1795 N ND2 . ASN A 1 238 ? -5.920 -25.138 -42.734 1.00 22.35 ? 241 ASN A ND2 1 ATOM 1796 N N . ARG A 1 239 ? -10.525 -25.156 -43.907 1.00 21.82 ? 242 ARG A N 1 ATOM 1797 C CA . ARG A 1 239 ? -11.771 -25.438 -43.201 1.00 22.42 ? 242 ARG A CA 1 ATOM 1798 C C . ARG A 1 239 ? -11.638 -25.526 -41.680 1.00 24.11 ? 242 ARG A C 1 ATOM 1799 O O . ARG A 1 239 ? -12.651 -25.592 -40.974 1.00 31.22 ? 242 ARG A O 1 ATOM 1800 C CB . ARG A 1 239 ? -12.422 -26.705 -43.758 1.00 24.43 ? 242 ARG A CB 1 ATOM 1801 C CG . ARG A 1 239 ? -13.090 -26.479 -45.086 1.00 23.74 ? 242 ARG A CG 1 ATOM 1802 C CD . ARG A 1 239 ? -13.396 -27.803 -45.740 1.00 25.16 ? 242 ARG A CD 1 ATOM 1803 N NE . ARG A 1 239 ? -12.198 -28.427 -46.297 1.00 23.06 ? 242 ARG A NE 1 ATOM 1804 C CZ . ARG A 1 239 ? -12.177 -29.672 -46.766 1.00 24.29 ? 242 ARG A CZ 1 ATOM 1805 N NH1 . ARG A 1 239 ? -13.278 -30.407 -46.710 1.00 23.89 ? 242 ARG A NH1 1 ATOM 1806 N NH2 . ARG A 1 239 ? -11.061 -30.182 -47.277 1.00 18.96 ? 242 ARG A NH2 1 ATOM 1807 N N . TYR A 1 240 ? -10.407 -25.524 -41.171 1.00 21.00 ? 243 TYR A N 1 ATOM 1808 C CA . TYR A 1 240 ? -10.200 -25.515 -39.723 1.00 24.31 ? 243 TYR A CA 1 ATOM 1809 C C . TYR A 1 240 ? -10.197 -24.079 -39.208 1.00 27.96 ? 243 TYR A C 1 ATOM 1810 O O . TYR A 1 240 ? -10.151 -23.842 -37.997 1.00 27.58 ? 243 TYR A O 1 ATOM 1811 C CB . TYR A 1 240 ? -8.865 -26.145 -39.349 1.00 25.56 ? 243 TYR A CB 1 ATOM 1812 C CG . TYR A 1 240 ? -8.715 -27.630 -39.597 1.00 23.12 ? 243 TYR A CG 1 ATOM 1813 C CD1 . TYR A 1 240 ? -8.272 -28.104 -40.828 1.00 19.88 ? 243 TYR A CD1 1 ATOM 1814 C CD2 . TYR A 1 240 ? -8.944 -28.552 -38.580 1.00 19.65 ? 243 TYR A CD2 1 ATOM 1815 C CE1 . TYR A 1 240 ? -8.100 -29.456 -41.047 1.00 18.47 ? 243 TYR A CE1 1 ATOM 1816 C CE2 . TYR A 1 240 ? -8.772 -29.913 -38.793 1.00 23.43 ? 243 TYR A CE2 1 ATOM 1817 C CZ . TYR A 1 240 ? -8.349 -30.352 -40.031 1.00 22.57 ? 243 TYR A CZ 1 ATOM 1818 O OH . TYR A 1 240 ? -8.170 -31.700 -40.247 1.00 17.06 ? 243 TYR A OH 1 ATOM 1819 N N . GLY A 1 241 ? -10.208 -23.126 -40.133 1.00 24.79 ? 244 GLY A N 1 ATOM 1820 C CA . GLY A 1 241 ? -10.176 -21.719 -39.771 1.00 27.31 ? 244 GLY A CA 1 ATOM 1821 C C . GLY A 1 241 ? -8.763 -21.183 -39.655 1.00 29.87 ? 244 GLY A C 1 ATOM 1822 O O . GLY A 1 241 ? -8.554 -20.020 -39.302 1.00 28.83 ? 244 GLY A O 1 ATOM 1823 N N . GLU A 1 242 ? -7.785 -22.034 -39.943 1.00 23.04 ? 245 GLU A N 1 ATOM 1824 C CA . GLU A 1 242 ? -6.394 -21.613 -39.953 1.00 25.33 ? 245 GLU A CA 1 ATOM 1825 C C . GLU A 1 242 ? -5.979 -21.268 -41.378 1.00 22.87 ? 245 GLU A C 1 ATOM 1826 O O . GLU A 1 242 ? -6.775 -21.391 -42.312 1.00 23.70 ? 245 GLU A O 1 ATOM 1827 C CB . GLU A 1 242 ? -5.492 -22.695 -39.348 1.00 30.79 ? 245 GLU A CB 1 ATOM 1828 C CG . GLU A 1 242 ? -5.762 -22.936 -37.860 1.00 34.84 ? 245 GLU A CG 1 ATOM 1829 C CD . GLU A 1 242 ? -4.763 -23.879 -37.201 1.00 41.41 ? 245 GLU A CD 1 ATOM 1830 O OE1 . GLU A 1 242 ? -4.153 -24.714 -37.904 1.00 34.77 ? 245 GLU A OE1 1 ATOM 1831 O OE2 . GLU A 1 242 ? -4.589 -23.780 -35.966 1.00 47.00 ? 245 GLU A OE2 1 ATOM 1832 N N . PHE A 1 243 ? -4.736 -20.830 -41.539 1.00 20.48 ? 246 PHE A N 1 ATOM 1833 C CA . PHE A 1 243 ? -4.229 -20.428 -42.841 1.00 22.70 ? 246 PHE A CA 1 ATOM 1834 C C . PHE A 1 243 ? -3.019 -21.262 -43.183 1.00 25.13 ? 246 PHE A C 1 ATOM 1835 O O . PHE A 1 243 ? -2.088 -21.377 -42.380 1.00 26.48 ? 246 PHE A O 1 ATOM 1836 C CB . PHE A 1 243 ? -3.883 -18.931 -42.844 1.00 21.63 ? 246 PHE A CB 1 ATOM 1837 C CG . PHE A 1 243 ? -5.087 -18.042 -42.929 1.00 21.20 ? 246 PHE A CG 1 ATOM 1838 C CD1 . PHE A 1 243 ? -5.935 -17.894 -41.847 1.00 23.24 ? 246 PHE A CD1 1 ATOM 1839 C CD2 . PHE A 1 243 ? -5.384 -17.376 -44.105 1.00 22.83 ? 246 PHE A CD2 1 ATOM 1840 C CE1 . PHE A 1 243 ? -7.054 -17.091 -41.928 1.00 26.41 ? 246 PHE A CE1 1 ATOM 1841 C CE2 . PHE A 1 243 ? -6.501 -16.565 -44.193 1.00 23.48 ? 246 PHE A CE2 1 ATOM 1842 C CZ . PHE A 1 243 ? -7.339 -16.426 -43.108 1.00 24.03 ? 246 PHE A CZ 1 ATOM 1843 N N . ASP A 1 244 ? -3.034 -21.875 -44.360 1.00 21.19 ? 247 ASP A N 1 ATOM 1844 C CA . ASP A 1 244 ? -1.912 -22.717 -44.743 1.00 19.18 ? 247 ASP A CA 1 ATOM 1845 C C . ASP A 1 244 ? -1.232 -22.291 -46.034 1.00 23.16 ? 247 ASP A C 1 ATOM 1846 O O . ASP A 1 244 ? -1.755 -21.487 -46.804 1.00 24.21 ? 247 ASP A O 1 ATOM 1847 C CB . ASP A 1 244 ? -2.287 -24.214 -44.747 1.00 22.55 ? 247 ASP A CB 1 ATOM 1848 C CG . ASP A 1 244 ? -3.480 -24.525 -45.623 1.00 28.14 ? 247 ASP A CG 1 ATOM 1849 O OD1 . ASP A 1 244 ? -3.502 -24.055 -46.777 1.00 29.16 ? 247 ASP A OD1 1 ATOM 1850 O OD2 . ASP A 1 244 ? -4.394 -25.243 -45.155 1.00 23.79 ? 247 ASP A OD2 1 ATOM 1851 N N . VAL A 1 245 ? -0.031 -22.809 -46.229 1.00 21.10 ? 248 VAL A N 1 ATOM 1852 C CA . VAL A 1 245 ? 0.755 -22.529 -47.413 1.00 25.94 ? 248 VAL A CA 1 ATOM 1853 C C . VAL A 1 245 ? 1.356 -23.831 -47.897 1.00 25.94 ? 248 VAL A C 1 ATOM 1854 O O . VAL A 1 245 ? 1.501 -24.784 -47.133 1.00 24.45 ? 248 VAL A O 1 ATOM 1855 C CB . VAL A 1 245 ? 1.900 -21.524 -47.126 1.00 26.67 ? 248 VAL A CB 1 ATOM 1856 C CG1 . VAL A 1 245 ? 1.341 -20.165 -46.720 1.00 27.87 ? 248 VAL A CG1 1 ATOM 1857 C CG2 . VAL A 1 245 ? 2.851 -22.059 -46.060 1.00 23.63 ? 248 VAL A CG2 1 ATOM 1858 N N . ASN A 1 246 ? 1.705 -23.872 -49.174 1.00 26.77 ? 249 ASN A N 1 ATOM 1859 C CA . ASN A 1 246 ? 2.446 -24.993 -49.711 1.00 28.38 ? 249 ASN A CA 1 ATOM 1860 C C . ASN A 1 246 ? 3.856 -24.956 -49.144 1.00 29.44 ? 249 ASN A C 1 ATOM 1861 O O . ASN A 1 246 ? 4.555 -23.954 -49.282 1.00 27.39 ? 249 ASN A O 1 ATOM 1862 C CB . ASN A 1 246 ? 2.483 -24.895 -51.238 1.00 29.72 ? 249 ASN A CB 1 ATOM 1863 C CG . ASN A 1 246 ? 3.006 -26.155 -51.892 1.00 36.35 ? 249 ASN A CG 1 ATOM 1864 O OD1 . ASN A 1 246 ? 3.896 -26.825 -51.365 1.00 35.03 ? 249 ASN A OD1 1 ATOM 1865 N ND2 . ASN A 1 246 ? 2.452 -26.487 -53.055 1.00 41.54 ? 249 ASN A ND2 1 ATOM 1866 N N . CYS A 1 247 ? 4.270 -26.036 -48.487 1.00 25.20 ? 250 CYS A N 1 ATOM 1867 C CA . CYS A 1 247 ? 5.603 -26.094 -47.898 1.00 26.52 ? 250 CYS A CA 1 ATOM 1868 C C . CYS A 1 247 ? 6.695 -25.798 -48.925 1.00 30.46 ? 250 CYS A C 1 ATOM 1869 O O . CYS A 1 247 ? 7.757 -25.284 -48.582 1.00 27.52 ? 250 CYS A O 1 ATOM 1870 C CB . CYS A 1 247 ? 5.850 -27.454 -47.233 1.00 28.30 ? 250 CYS A CB 1 ATOM 1871 S SG . CYS A 1 247 ? 4.847 -27.773 -45.773 1.00 29.74 ? 250 CYS A SG 1 ATOM 1872 N N . GLY A 1 248 ? 6.426 -26.117 -50.187 1.00 28.15 ? 251 GLY A N 1 ATOM 1873 C CA . GLY A 1 248 ? 7.393 -25.892 -51.248 1.00 28.85 ? 251 GLY A CA 1 ATOM 1874 C C . GLY A 1 248 ? 7.599 -24.423 -51.563 1.00 31.72 ? 251 GLY A C 1 ATOM 1875 O O . GLY A 1 248 ? 8.534 -24.056 -52.279 1.00 36.56 ? 251 GLY A O 1 ATOM 1876 N N . ASN A 1 249 ? 6.728 -23.576 -51.026 1.00 27.41 ? 252 ASN A N 1 ATOM 1877 C CA . ASN A 1 249 ? 6.813 -22.137 -51.268 1.00 27.74 ? 252 ASN A CA 1 ATOM 1878 C C . ASN A 1 249 ? 7.580 -21.369 -50.196 1.00 31.58 ? 252 ASN A C 1 ATOM 1879 O O . ASN A 1 249 ? 7.788 -20.162 -50.322 1.00 28.33 ? 252 ASN A O 1 ATOM 1880 C CB . ASN A 1 249 ? 5.414 -21.539 -51.424 1.00 27.25 ? 252 ASN A CB 1 ATOM 1881 C CG . ASN A 1 249 ? 4.763 -21.931 -52.733 1.00 31.66 ? 252 ASN A CG 1 ATOM 1882 O OD1 . ASN A 1 249 ? 5.446 -22.296 -53.689 1.00 39.25 ? 252 ASN A OD1 1 ATOM 1883 N ND2 . ASN A 1 249 ? 3.441 -21.859 -52.783 1.00 32.47 ? 252 ASN A ND2 1 ATOM 1884 N N . LEU A 1 250 ? 7.997 -22.063 -49.142 1.00 26.67 ? 253 LEU A N 1 ATOM 1885 C CA . LEU A 1 250 ? 8.694 -21.398 -48.045 1.00 26.42 ? 253 LEU A CA 1 ATOM 1886 C C . LEU A 1 250 ? 9.952 -20.694 -48.534 1.00 30.09 ? 253 LEU A C 1 ATOM 1887 O O . LEU A 1 250 ? 10.281 -19.601 -48.074 1.00 27.69 ? 253 LEU A O 1 ATOM 1888 C CB . LEU A 1 250 ? 9.034 -22.391 -46.930 1.00 27.05 ? 253 LEU A CB 1 ATOM 1889 C CG . LEU A 1 250 ? 7.839 -22.893 -46.115 1.00 26.93 ? 253 LEU A CG 1 ATOM 1890 C CD1 . LEU A 1 250 ? 8.293 -23.933 -45.098 1.00 32.63 ? 253 LEU A CD1 1 ATOM 1891 C CD2 . LEU A 1 250 ? 7.124 -21.749 -45.420 1.00 27.47 ? 253 LEU A CD2 1 ATOM 1892 N N . ARG A 1 251 ? 10.642 -21.320 -49.482 1.00 30.66 ? 254 ARG A N 1 ATOM 1893 C CA . ARG A 1 251 ? 11.878 -20.771 -50.029 1.00 33.53 ? 254 ARG A CA 1 ATOM 1894 C C . ARG A 1 251 ? 11.661 -19.432 -50.727 1.00 31.26 ? 254 ARG A C 1 ATOM 1895 O O . ARG A 1 251 ? 12.557 -18.590 -50.764 1.00 37.17 ? 254 ARG A O 1 ATOM 1896 C CB . ARG A 1 251 ? 12.505 -21.757 -51.017 1.00 34.26 ? 254 ARG A CB 1 ATOM 1897 C CG . ARG A 1 251 ? 12.817 -23.120 -50.430 1.00 55.83 ? 254 ARG A CG 1 ATOM 1898 C CD . ARG A 1 251 ? 13.350 -24.067 -51.497 1.00 67.20 ? 254 ARG A CD 1 ATOM 1899 N NE . ARG A 1 251 ? 13.514 -25.426 -50.988 1.00 75.21 ? 254 ARG A NE 1 ATOM 1900 C CZ . ARG A 1 251 ? 13.884 -26.462 -51.734 1.00 78.21 ? 254 ARG A CZ 1 ATOM 1901 N NH1 . ARG A 1 251 ? 14.132 -26.295 -53.027 1.00 80.77 ? 254 ARG A NH1 1 ATOM 1902 N NH2 . ARG A 1 251 ? 14.007 -27.664 -51.188 1.00 81.64 ? 254 ARG A NH2 1 ATOM 1903 N N . SER A 1 252 ? 10.469 -19.238 -51.279 1.00 30.97 ? 255 SER A N 1 ATOM 1904 C CA . SER A 1 252 ? 10.195 -18.060 -52.093 1.00 31.26 ? 255 SER A CA 1 ATOM 1905 C C . SER A 1 252 ? 9.256 -17.065 -51.414 1.00 32.25 ? 255 SER A C 1 ATOM 1906 O O . SER A 1 252 ? 8.883 -16.049 -52.003 1.00 29.84 ? 255 SER A O 1 ATOM 1907 C CB . SER A 1 252 ? 9.628 -18.481 -53.454 1.00 31.73 ? 255 SER A CB 1 ATOM 1908 O OG . SER A 1 252 ? 8.402 -19.173 -53.306 1.00 34.28 ? 255 SER A OG 1 ATOM 1909 N N . MET A 1 253 ? 8.878 -17.354 -50.172 1.00 25.51 ? 256 MET A N 1 ATOM 1910 C CA . MET A 1 253 ? 7.967 -16.484 -49.434 1.00 26.32 ? 256 MET A CA 1 ATOM 1911 C C . MET A 1 253 ? 8.682 -15.280 -48.819 1.00 19.74 ? 256 MET A C 1 ATOM 1912 O O . MET A 1 253 ? 9.900 -15.301 -48.629 1.00 23.13 ? 256 MET A O 1 ATOM 1913 C CB . MET A 1 253 ? 7.222 -17.284 -48.361 1.00 23.06 ? 256 MET A CB 1 ATOM 1914 C CG . MET A 1 253 ? 5.989 -17.984 -48.902 1.00 22.34 ? 256 MET A CG 1 ATOM 1915 S SD . MET A 1 253 ? 5.420 -19.309 -47.829 1.00 22.53 ? 256 MET A SD 1 ATOM 1916 C CE . MET A 1 253 ? 5.064 -18.408 -46.313 1.00 21.04 ? 256 MET A CE 1 ATOM 1917 N N . PRO A 1 254 ? 7.921 -14.223 -48.504 1.00 18.10 ? 257 PRO A N 1 ATOM 1918 C CA . PRO A 1 254 ? 8.554 -12.994 -48.020 1.00 20.92 ? 257 PRO A CA 1 ATOM 1919 C C . PRO A 1 254 ? 8.838 -12.985 -46.526 1.00 26.41 ? 257 PRO A C 1 ATOM 1920 O O . PRO A 1 254 ? 8.228 -13.718 -45.751 1.00 23.09 ? 257 PRO A O 1 ATOM 1921 C CB . PRO A 1 254 ? 7.509 -11.931 -48.342 1.00 24.38 ? 257 PRO A CB 1 ATOM 1922 C CG . PRO A 1 254 ? 6.217 -12.650 -48.195 1.00 23.15 ? 257 PRO A CG 1 ATOM 1923 C CD . PRO A 1 254 ? 6.473 -14.053 -48.704 1.00 20.35 ? 257 PRO A CD 1 ATOM 1924 N N . THR A 1 255 ? 9.778 -12.137 -46.135 1.00 21.81 ? 258 THR A N 1 ATOM 1925 C CA . THR A 1 255 ? 10.065 -11.902 -44.732 1.00 23.70 ? 258 THR A CA 1 ATOM 1926 C C . THR A 1 255 ? 9.028 -10.932 -44.183 1.00 23.26 ? 258 THR A C 1 ATOM 1927 O O . THR A 1 255 ? 8.611 -10.008 -44.884 1.00 23.64 ? 258 THR A O 1 ATOM 1928 C CB . THR A 1 255 ? 11.477 -11.329 -44.577 1.00 32.29 ? 258 THR A CB 1 ATOM 1929 O OG1 . THR A 1 255 ? 12.429 -12.283 -45.069 1.00 36.37 ? 258 THR A OG1 1 ATOM 1930 C CG2 . THR A 1 255 ? 11.775 -11.036 -43.136 1.00 26.65 ? 258 THR A CG2 1 ATOM 1931 N N . VAL A 1 256 ? 8.586 -11.149 -42.943 1.00 18.93 ? 259 VAL A N 1 ATOM 1932 C CA . VAL A 1 256 ? 7.677 -10.211 -42.303 1.00 18.91 ? 259 VAL A CA 1 ATOM 1933 C C . VAL A 1 256 ? 8.488 -9.428 -41.286 1.00 21.55 ? 259 VAL A C 1 ATOM 1934 O O . VAL A 1 256 ? 9.069 -10.007 -40.372 1.00 20.95 ? 259 VAL A O 1 ATOM 1935 C CB . VAL A 1 256 ? 6.494 -10.919 -41.607 1.00 17.49 ? 259 VAL A CB 1 ATOM 1936 C CG1 . VAL A 1 256 ? 5.616 -9.913 -40.868 1.00 18.91 ? 259 VAL A CG1 1 ATOM 1937 C CG2 . VAL A 1 256 ? 5.668 -11.705 -42.631 1.00 20.83 ? 259 VAL A CG2 1 ATOM 1938 N N . VAL A 1 257 ? 8.546 -8.113 -41.460 1.00 18.22 ? 260 VAL A N 1 ATOM 1939 C CA . VAL A 1 257 ? 9.436 -7.286 -40.647 1.00 20.80 ? 260 VAL A CA 1 ATOM 1940 C C . VAL A 1 257 ? 8.690 -6.489 -39.586 1.00 18.27 ? 260 VAL A C 1 ATOM 1941 O O . VAL A 1 257 ? 7.886 -5.605 -39.902 1.00 17.34 ? 260 VAL A O 1 ATOM 1942 C CB . VAL A 1 257 ? 10.246 -6.318 -41.542 1.00 19.66 ? 260 VAL A CB 1 ATOM 1943 C CG1 . VAL A 1 257 ? 11.242 -5.530 -40.707 1.00 20.11 ? 260 VAL A CG1 1 ATOM 1944 C CG2 . VAL A 1 257 ? 10.961 -7.092 -42.634 1.00 21.56 ? 260 VAL A CG2 1 ATOM 1945 N N . PHE A 1 258 ? 8.934 -6.826 -38.316 1.00 16.60 ? 261 PHE A N 1 ATOM 1946 C CA . PHE A 1 258 ? 8.443 -6.022 -37.211 1.00 17.75 ? 261 PHE A CA 1 ATOM 1947 C C . PHE A 1 258 ? 9.452 -4.931 -36.910 1.00 16.89 ? 261 PHE A C 1 ATOM 1948 O O . PHE A 1 258 ? 10.616 -5.221 -36.628 1.00 18.97 ? 261 PHE A O 1 ATOM 1949 C CB . PHE A 1 258 ? 8.215 -6.891 -35.969 1.00 17.05 ? 261 PHE A CB 1 ATOM 1950 C CG . PHE A 1 258 ? 6.942 -7.679 -36.020 1.00 16.92 ? 261 PHE A CG 1 ATOM 1951 C CD1 . PHE A 1 258 ? 6.847 -8.813 -36.808 1.00 23.40 ? 261 PHE A CD1 1 ATOM 1952 C CD2 . PHE A 1 258 ? 5.831 -7.268 -35.306 1.00 16.89 ? 261 PHE A CD2 1 ATOM 1953 C CE1 . PHE A 1 258 ? 5.659 -9.532 -36.878 1.00 20.24 ? 261 PHE A CE1 1 ATOM 1954 C CE2 . PHE A 1 258 ? 4.640 -7.983 -35.369 1.00 19.59 ? 261 PHE A CE2 1 ATOM 1955 C CZ . PHE A 1 258 ? 4.558 -9.116 -36.152 1.00 18.89 ? 261 PHE A CZ 1 ATOM 1956 N N . GLU A 1 259 ? 9.011 -3.678 -36.986 1.00 16.31 ? 262 GLU A N 1 ATOM 1957 C CA . GLU A 1 259 ? 9.881 -2.566 -36.625 1.00 20.33 ? 262 GLU A CA 1 ATOM 1958 C C . GLU A 1 259 ? 9.595 -2.137 -35.193 1.00 16.97 ? 262 GLU A C 1 ATOM 1959 O O . GLU A 1 259 ? 8.464 -1.814 -34.847 1.00 18.72 ? 262 GLU A O 1 ATOM 1960 C CB . GLU A 1 259 ? 9.697 -1.386 -37.577 1.00 20.69 ? 262 GLU A CB 1 ATOM 1961 C CG . GLU A 1 259 ? 10.543 -0.181 -37.184 1.00 20.47 ? 262 GLU A CG 1 ATOM 1962 C CD . GLU A 1 259 ? 10.347 1.004 -38.111 1.00 27.10 ? 262 GLU A CD 1 ATOM 1963 O OE1 . GLU A 1 259 ? 9.244 1.147 -38.678 1.00 26.48 ? 262 GLU A OE1 1 ATOM 1964 O OE2 . GLU A 1 259 ? 11.303 1.792 -38.260 1.00 31.58 ? 262 GLU A OE2 1 ATOM 1965 N N . ILE A 1 260 ? 10.624 -2.169 -34.352 1.00 16.52 ? 263 ILE A N 1 ATOM 1966 C CA . ILE A 1 260 ? 10.466 -1.842 -32.949 1.00 18.01 ? 263 ILE A CA 1 ATOM 1967 C C . ILE A 1 260 ? 11.556 -0.871 -32.540 1.00 20.31 ? 263 ILE A C 1 ATOM 1968 O O . ILE A 1 260 ? 12.746 -1.157 -32.702 1.00 17.62 ? 263 ILE A O 1 ATOM 1969 C CB . ILE A 1 260 ? 10.550 -3.103 -32.084 1.00 18.69 ? 263 ILE A CB 1 ATOM 1970 C CG1 . ILE A 1 260 ? 9.551 -4.146 -32.580 1.00 17.99 ? 263 ILE A CG1 1 ATOM 1971 C CG2 . ILE A 1 260 ? 10.288 -2.761 -30.624 1.00 19.75 ? 263 ILE A CG2 1 ATOM 1972 C CD1 . ILE A 1 260 ? 9.713 -5.510 -31.925 1.00 15.68 ? 263 ILE A CD1 1 ATOM 1973 N N . ASN A 1 261 ? 11.129 0.274 -32.012 1.00 19.49 ? 264 ASN A N 1 ATOM 1974 C CA . ASN A 1 261 ? 12.023 1.371 -31.657 1.00 19.91 ? 264 ASN A CA 1 ATOM 1975 C C . ASN A 1 261 ? 12.993 1.668 -32.789 1.00 22.59 ? 264 ASN A C 1 ATOM 1976 O O . ASN A 1 261 ? 14.189 1.856 -32.573 1.00 23.70 ? 264 ASN A O 1 ATOM 1977 C CB . ASN A 1 261 ? 12.780 1.065 -30.366 1.00 19.28 ? 264 ASN A CB 1 ATOM 1978 C CG . ASN A 1 261 ? 13.294 2.314 -29.696 1.00 28.35 ? 264 ASN A CG 1 ATOM 1979 O OD1 . ASN A 1 261 ? 12.802 3.416 -29.951 1.00 25.02 ? 264 ASN A OD1 1 ATOM 1980 N ND2 . ASN A 1 261 ? 14.284 2.154 -28.829 1.00 29.20 ? 264 ASN A ND2 1 ATOM 1981 N N . GLY A 1 262 ? 12.464 1.668 -34.008 1.00 21.97 ? 265 GLY A N 1 ATOM 1982 C CA . GLY A 1 262 ? 13.232 2.054 -35.177 1.00 24.77 ? 265 GLY A CA 1 ATOM 1983 C C . GLY A 1 262 ? 14.186 1.016 -35.736 1.00 26.83 ? 265 GLY A C 1 ATOM 1984 O O . GLY A 1 262 ? 14.913 1.305 -36.682 1.00 29.62 ? 265 GLY A O 1 ATOM 1985 N N . ARG A 1 263 ? 14.200 -0.184 -35.160 1.00 22.35 ? 266 ARG A N 1 ATOM 1986 C CA . ARG A 1 263 ? 15.050 -1.252 -35.671 1.00 19.80 ? 266 ARG A CA 1 ATOM 1987 C C . ARG A 1 263 ? 14.196 -2.382 -36.218 1.00 20.18 ? 266 ARG A C 1 ATOM 1988 O O . ARG A 1 263 ? 13.043 -2.547 -35.808 1.00 20.69 ? 266 ARG A O 1 ATOM 1989 C CB . ARG A 1 263 ? 15.978 -1.789 -34.580 1.00 21.29 ? 266 ARG A CB 1 ATOM 1990 C CG . ARG A 1 263 ? 16.916 -0.748 -34.012 1.00 29.75 ? 266 ARG A CG 1 ATOM 1991 C CD . ARG A 1 263 ? 17.929 -1.387 -33.086 1.00 34.56 ? 266 ARG A CD 1 ATOM 1992 N NE . ARG A 1 263 ? 18.914 -0.419 -32.619 1.00 43.01 ? 266 ARG A NE 1 ATOM 1993 C CZ . ARG A 1 263 ? 20.073 -0.183 -33.224 1.00 42.19 ? 266 ARG A CZ 1 ATOM 1994 N NH1 . ARG A 1 263 ? 20.396 -0.848 -34.325 1.00 42.43 ? 266 ARG A NH1 1 ATOM 1995 N NH2 . ARG A 1 263 ? 20.912 0.714 -32.724 1.00 48.23 ? 266 ARG A NH2 1 ATOM 1996 N N . ASP A 1 264 ? 14.769 -3.152 -37.137 1.00 20.84 ? 267 ASP A N 1 ATOM 1997 C CA . ASP A 1 264 ? 14.038 -4.208 -37.832 1.00 19.45 ? 267 ASP A CA 1 ATOM 1998 C C . ASP A 1 264 ? 14.202 -5.578 -37.175 1.00 21.29 ? 267 ASP A C 1 ATOM 1999 O O . ASP A 1 264 ? 15.314 -6.003 -36.840 1.00 21.84 ? 267 ASP A O 1 ATOM 2000 C CB . ASP A 1 264 ? 14.469 -4.280 -39.307 1.00 22.17 ? 267 ASP A CB 1 ATOM 2001 C CG . ASP A 1 264 ? 14.036 -3.064 -40.106 1.00 22.48 ? 267 ASP A CG 1 ATOM 2002 O OD1 . ASP A 1 264 ? 13.149 -2.315 -39.645 1.00 23.02 ? 267 ASP A OD1 1 ATOM 2003 O OD2 . ASP A 1 264 ? 14.581 -2.868 -41.215 1.00 31.08 ? 267 ASP A OD2 1 ATOM 2004 N N . TYR A 1 265 ? 13.075 -6.266 -37.006 1.00 19.39 ? 268 TYR A N 1 ATOM 2005 C CA . TYR A 1 265 ? 13.050 -7.625 -36.467 1.00 17.57 ? 268 TYR A CA 1 ATOM 2006 C C . TYR A 1 265 ? 12.324 -8.521 -37.457 1.00 18.34 ? 268 TYR A C 1 ATOM 2007 O O . TYR A 1 265 ? 11.116 -8.708 -37.366 1.00 20.29 ? 268 TYR A O 1 ATOM 2008 C CB . TYR A 1 265 ? 12.376 -7.633 -35.086 1.00 15.93 ? 268 TYR A CB 1 ATOM 2009 C CG . TYR A 1 265 ? 13.189 -6.834 -34.100 1.00 16.02 ? 268 TYR A CG 1 ATOM 2010 C CD1 . TYR A 1 265 ? 14.229 -7.426 -33.395 1.00 16.75 ? 268 TYR A CD1 1 ATOM 2011 C CD2 . TYR A 1 265 ? 12.978 -5.469 -33.939 1.00 16.49 ? 268 TYR A CD2 1 ATOM 2012 C CE1 . TYR A 1 265 ? 15.008 -6.691 -32.516 1.00 17.82 ? 268 TYR A CE1 1 ATOM 2013 C CE2 . TYR A 1 265 ? 13.763 -4.723 -33.066 1.00 19.74 ? 268 TYR A CE2 1 ATOM 2014 C CZ . TYR A 1 265 ? 14.771 -5.345 -32.364 1.00 18.49 ? 268 TYR A CZ 1 ATOM 2015 O OH . TYR A 1 265 ? 15.551 -4.614 -31.501 1.00 19.39 ? 268 TYR A OH 1 ATOM 2016 N N . PRO A 1 266 ? 13.064 -9.038 -38.445 1.00 20.88 ? 269 PRO A N 1 ATOM 2017 C CA . PRO A 1 266 ? 12.452 -9.873 -39.481 1.00 17.80 ? 269 PRO A CA 1 ATOM 2018 C C . PRO A 1 266 ? 12.104 -11.263 -38.966 1.00 18.16 ? 269 PRO A C 1 ATOM 2019 O O . PRO A 1 266 ? 12.810 -11.830 -38.133 1.00 20.18 ? 269 PRO A O 1 ATOM 2020 C CB . PRO A 1 266 ? 13.551 -9.967 -40.539 1.00 18.74 ? 269 PRO A CB 1 ATOM 2021 C CG . PRO A 1 266 ? 14.812 -9.768 -39.795 1.00 19.31 ? 269 PRO A CG 1 ATOM 2022 C CD . PRO A 1 266 ? 14.483 -8.763 -38.728 1.00 20.69 ? 269 PRO A CD 1 ATOM 2023 N N . LEU A 1 267 ? 10.996 -11.790 -39.465 1.00 17.00 ? 270 LEU A N 1 ATOM 2024 C CA . LEU A 1 267 ? 10.658 -13.191 -39.301 1.00 17.22 ? 270 LEU A CA 1 ATOM 2025 C C . LEU A 1 267 ? 10.654 -13.838 -40.680 1.00 19.15 ? 270 LEU A C 1 ATOM 2026 O O . LEU A 1 267 ? 9.882 -13.443 -41.559 1.00 20.16 ? 270 LEU A O 1 ATOM 2027 C CB . LEU A 1 267 ? 9.272 -13.333 -38.677 1.00 16.98 ? 270 LEU A CB 1 ATOM 2028 C CG . LEU A 1 267 ? 9.070 -12.742 -37.279 1.00 18.31 ? 270 LEU A CG 1 ATOM 2029 C CD1 . LEU A 1 267 ? 7.613 -12.839 -36.868 1.00 20.59 ? 270 LEU A CD1 1 ATOM 2030 C CD2 . LEU A 1 267 ? 9.975 -13.434 -36.254 1.00 18.68 ? 270 LEU A CD2 1 ATOM 2031 N N . SER A 1 268 ? 11.533 -14.817 -40.861 1.00 18.77 ? 271 SER A N 1 ATOM 2032 C CA . SER A 1 268 ? 11.599 -15.606 -42.093 1.00 21.28 ? 271 SER A CA 1 ATOM 2033 C C . SER A 1 268 ? 10.365 -16.495 -42.232 1.00 21.81 ? 271 SER A C 1 ATOM 2034 O O . SER A 1 268 ? 9.661 -16.735 -41.265 1.00 20.46 ? 271 SER A O 1 ATOM 2035 C CB . SER A 1 268 ? 12.835 -16.496 -42.061 1.00 23.61 ? 271 SER A CB 1 ATOM 2036 O OG . SER A 1 268 ? 12.720 -17.446 -41.009 1.00 23.29 ? 271 SER A OG 1 ATOM 2037 N N . PRO A 1 269 ? 10.091 -16.991 -43.446 1.00 20.45 ? 272 PRO A N 1 ATOM 2038 C CA . PRO A 1 269 ? 8.964 -17.917 -43.594 1.00 18.15 ? 272 PRO A CA 1 ATOM 2039 C C . PRO A 1 269 ? 9.070 -19.134 -42.667 1.00 19.30 ? 272 PRO A C 1 ATOM 2040 O O . PRO A 1 269 ? 8.057 -19.582 -42.126 1.00 19.91 ? 272 PRO A O 1 ATOM 2041 C CB . PRO A 1 269 ? 9.058 -18.335 -45.067 1.00 22.20 ? 272 PRO A CB 1 ATOM 2042 C CG . PRO A 1 269 ? 9.631 -17.106 -45.733 1.00 25.10 ? 272 PRO A CG 1 ATOM 2043 C CD . PRO A 1 269 ? 10.635 -16.565 -44.751 1.00 21.31 ? 272 PRO A CD 1 ATOM 2044 N N . SER A 1 270 ? 10.271 -19.660 -42.474 1.00 21.71 ? 273 SER A N 1 ATOM 2045 C CA . SER A 1 270 ? 10.420 -20.804 -41.583 1.00 23.26 ? 273 SER A CA 1 ATOM 2046 C C . SER A 1 270 ? 10.064 -20.423 -40.145 1.00 23.35 ? 273 SER A C 1 ATOM 2047 O O . SER A 1 270 ? 9.528 -21.238 -39.393 1.00 23.71 ? 273 SER A O 1 ATOM 2048 C CB . SER A 1 270 ? 11.831 -21.389 -41.662 1.00 29.72 ? 273 SER A CB 1 ATOM 2049 O OG . SER A 1 270 ? 12.803 -20.433 -41.280 1.00 41.58 ? 273 SER A OG 1 ATOM 2050 N N . ALA A 1 271 ? 10.347 -19.181 -39.768 1.00 21.03 ? 274 ALA A N 1 ATOM 2051 C CA . ALA A 1 271 ? 10.040 -18.717 -38.418 1.00 20.26 ? 274 ALA A CA 1 ATOM 2052 C C . ALA A 1 271 ? 8.543 -18.473 -38.187 1.00 21.76 ? 274 ALA A C 1 ATOM 2053 O O . ALA A 1 271 ? 8.027 -18.751 -37.102 1.00 19.51 ? 274 ALA A O 1 ATOM 2054 C CB . ALA A 1 271 ? 10.852 -17.464 -38.088 1.00 20.43 ? 274 ALA A CB 1 ATOM 2055 N N . TYR A 1 272 ? 7.834 -17.965 -39.194 1.00 17.18 ? 275 TYR A N 1 ATOM 2056 C CA . TYR A 1 272 ? 6.434 -17.600 -38.980 1.00 16.35 ? 275 TYR A CA 1 ATOM 2057 C C . TYR A 1 272 ? 5.433 -18.651 -39.453 1.00 17.98 ? 275 TYR A C 1 ATOM 2058 O O . TYR A 1 272 ? 4.228 -18.431 -39.380 1.00 18.57 ? 275 TYR A O 1 ATOM 2059 C CB . TYR A 1 272 ? 6.094 -16.195 -39.537 1.00 16.77 ? 275 TYR A CB 1 ATOM 2060 C CG . TYR A 1 272 ? 6.172 -16.010 -41.046 1.00 18.23 ? 275 TYR A CG 1 ATOM 2061 C CD1 . TYR A 1 272 ? 5.257 -16.629 -41.896 1.00 19.07 ? 275 TYR A CD1 1 ATOM 2062 C CD2 . TYR A 1 272 ? 7.121 -15.169 -41.607 1.00 17.86 ? 275 TYR A CD2 1 ATOM 2063 C CE1 . TYR A 1 272 ? 5.319 -16.445 -43.274 1.00 19.11 ? 275 TYR A CE1 1 ATOM 2064 C CE2 . TYR A 1 272 ? 7.184 -14.971 -42.978 1.00 19.87 ? 275 TYR A CE2 1 ATOM 2065 C CZ . TYR A 1 272 ? 6.284 -15.614 -43.801 1.00 17.68 ? 275 TYR A CZ 1 ATOM 2066 O OH . TYR A 1 272 ? 6.353 -15.415 -45.173 1.00 19.10 ? 275 TYR A OH 1 ATOM 2067 N N . THR A 1 273 ? 5.941 -19.783 -39.925 1.00 19.18 ? 276 THR A N 1 ATOM 2068 C CA . THR A 1 273 ? 5.083 -20.927 -40.226 1.00 22.06 ? 276 THR A CA 1 ATOM 2069 C C . THR A 1 273 ? 5.476 -22.134 -39.386 1.00 22.59 ? 276 THR A C 1 ATOM 2070 O O . THR A 1 273 ? 6.599 -22.227 -38.894 1.00 24.60 ? 276 THR A O 1 ATOM 2071 C CB . THR A 1 273 ? 5.160 -21.344 -41.704 1.00 20.61 ? 276 THR A CB 1 ATOM 2072 O OG1 . THR A 1 273 ? 6.487 -21.786 -42.010 1.00 21.98 ? 276 THR A OG1 1 ATOM 2073 C CG2 . THR A 1 273 ? 4.779 -20.178 -42.626 1.00 21.68 ? 276 THR A CG2 1 ATOM 2074 N N . SER A 1 274 ? 4.535 -23.053 -39.214 1.00 20.42 ? 277 SER A N 1 ATOM 2075 C CA . SER A 1 274 ? 4.846 -24.338 -38.621 1.00 19.71 ? 277 SER A CA 1 ATOM 2076 C C . SER A 1 274 ? 4.782 -25.395 -39.709 1.00 22.31 ? 277 SER A C 1 ATOM 2077 O O . SER A 1 274 ? 3.872 -25.384 -40.528 1.00 23.72 ? 277 SER A O 1 ATOM 2078 C CB . SER A 1 274 ? 3.851 -24.666 -37.515 1.00 26.08 ? 277 SER A CB 1 ATOM 2079 O OG . SER A 1 274 ? 4.234 -25.848 -36.834 1.00 36.98 ? 277 SER A OG 1 ATOM 2080 N N . LYS A 1 275 ? 5.762 -26.289 -39.729 1.00 19.77 ? 278 LYS A N 1 ATOM 2081 C CA . LYS A 1 275 ? 5.763 -27.390 -40.684 1.00 19.51 ? 278 LYS A CA 1 ATOM 2082 C C . LYS A 1 275 ? 5.664 -28.714 -39.929 1.00 23.54 ? 278 LYS A C 1 ATOM 2083 O O . LYS A 1 275 ? 6.561 -29.070 -39.162 1.00 25.94 ? 278 LYS A O 1 ATOM 2084 C CB . LYS A 1 275 ? 7.026 -27.351 -41.541 1.00 23.74 ? 278 LYS A CB 1 ATOM 2085 C CG . LYS A 1 275 ? 7.065 -28.409 -42.621 1.00 27.53 ? 278 LYS A CG 1 ATOM 2086 C CD . LYS A 1 275 ? 8.331 -28.315 -43.462 1.00 32.10 ? 278 LYS A CD 1 ATOM 2087 C CE . LYS A 1 275 ? 8.429 -29.493 -44.419 1.00 40.50 ? 278 LYS A CE 1 ATOM 2088 N NZ . LYS A 1 275 ? 9.704 -29.491 -45.184 1.00 48.62 ? 278 LYS A NZ 1 ATOM 2089 N N . ASP A 1 276 ? 4.568 -29.439 -40.142 1.00 18.56 ? 279 ASP A N 1 ATOM 2090 C CA . ASP A 1 276 ? 4.320 -30.675 -39.408 1.00 18.56 ? 279 ASP A CA 1 ATOM 2091 C C . ASP A 1 276 ? 3.961 -31.744 -40.431 1.00 20.37 ? 279 ASP A C 1 ATOM 2092 O O . ASP A 1 276 ? 2.884 -31.701 -41.022 1.00 18.62 ? 279 ASP A O 1 ATOM 2093 C CB . ASP A 1 276 ? 3.170 -30.484 -38.414 1.00 19.65 ? 279 ASP A CB 1 ATOM 2094 C CG . ASP A 1 276 ? 2.992 -31.669 -37.466 1.00 28.41 ? 279 ASP A CG 1 ATOM 2095 O OD1 . ASP A 1 276 ? 3.538 -32.760 -37.745 1.00 29.92 ? 279 ASP A OD1 1 ATOM 2096 O OD2 . ASP A 1 276 ? 2.281 -31.509 -36.439 1.00 26.04 ? 279 ASP A OD2 1 ATOM 2097 N N . GLN A 1 277 ? 4.888 -32.673 -40.656 1.00 18.91 ? 280 GLN A N 1 ATOM 2098 C CA . GLN A 1 277 ? 4.687 -33.779 -41.594 1.00 18.75 ? 280 GLN A CA 1 ATOM 2099 C C . GLN A 1 277 ? 4.136 -33.298 -42.925 1.00 20.95 ? 280 GLN A C 1 ATOM 2100 O O . GLN A 1 277 ? 3.133 -33.829 -43.432 1.00 17.85 ? 280 GLN A O 1 ATOM 2101 C CB . GLN A 1 277 ? 3.775 -34.843 -40.979 1.00 19.73 ? 280 GLN A CB 1 ATOM 2102 C CG . GLN A 1 277 ? 4.325 -35.441 -39.686 1.00 22.61 ? 280 GLN A CG 1 ATOM 2103 C CD . GLN A 1 277 ? 5.659 -36.129 -39.897 1.00 29.14 ? 280 GLN A CD 1 ATOM 2104 O OE1 . GLN A 1 277 ? 5.799 -36.975 -40.780 1.00 32.69 ? 280 GLN A OE1 1 ATOM 2105 N NE2 . GLN A 1 277 ? 6.653 -35.759 -39.096 1.00 35.02 ? 280 GLN A NE2 1 ATOM 2106 N N . GLY A 1 278 ? 4.785 -32.278 -43.478 1.00 16.34 ? 281 GLY A N 1 ATOM 2107 C CA . GLY A 1 278 ? 4.480 -31.787 -44.812 1.00 18.10 ? 281 GLY A CA 1 ATOM 2108 C C . GLY A 1 278 ? 3.312 -30.823 -44.914 1.00 19.01 ? 281 GLY A C 1 ATOM 2109 O O . GLY A 1 278 ? 2.968 -30.380 -46.006 1.00 20.42 ? 281 GLY A O 1 ATOM 2110 N N . PHE A 1 279 ? 2.706 -30.498 -43.779 1.00 17.82 ? 282 PHE A N 1 ATOM 2111 C CA . PHE A 1 279 ? 1.577 -29.581 -43.727 1.00 17.86 ? 282 PHE A CA 1 ATOM 2112 C C . PHE A 1 279 ? 2.047 -28.290 -43.061 1.00 16.14 ? 282 PHE A C 1 ATOM 2113 O O . PHE A 1 279 ? 2.460 -28.305 -41.904 1.00 17.30 ? 282 PHE A O 1 ATOM 2114 C CB . PHE A 1 279 ? 0.445 -30.220 -42.923 1.00 15.19 ? 282 PHE A CB 1 ATOM 2115 C CG . PHE A 1 279 ? -0.759 -29.339 -42.749 1.00 15.41 ? 282 PHE A CG 1 ATOM 2116 C CD1 . PHE A 1 279 ? -1.343 -28.723 -43.842 1.00 19.11 ? 282 PHE A CD1 1 ATOM 2117 C CD2 . PHE A 1 279 ? -1.308 -29.136 -41.497 1.00 17.22 ? 282 PHE A CD2 1 ATOM 2118 C CE1 . PHE A 1 279 ? -2.458 -27.913 -43.683 1.00 20.57 ? 282 PHE A CE1 1 ATOM 2119 C CE2 . PHE A 1 279 ? -2.427 -28.330 -41.336 1.00 20.61 ? 282 PHE A CE2 1 ATOM 2120 C CZ . PHE A 1 279 ? -2.998 -27.722 -42.437 1.00 21.04 ? 282 PHE A CZ 1 ATOM 2121 N N . CYS A 1 280 ? 1.987 -27.183 -43.798 1.00 17.19 ? 283 CYS A N 1 ATOM 2122 C CA A CYS A 1 280 ? 2.534 -25.915 -43.303 0.67 19.96 ? 283 CYS A CA 1 ATOM 2123 C CA B CYS A 1 280 ? 2.538 -25.913 -43.327 0.33 19.95 ? 283 CYS A CA 1 ATOM 2124 C C . CYS A 1 280 ? 1.443 -24.901 -43.001 1.00 20.28 ? 283 CYS A C 1 ATOM 2125 O O . CYS A 1 280 ? 0.612 -24.590 -43.847 1.00 20.04 ? 283 CYS A O 1 ATOM 2126 C CB A CYS A 1 280 ? 3.537 -25.332 -44.302 0.67 19.15 ? 283 CYS A CB 1 ATOM 2127 C CB B CYS A 1 280 ? 3.467 -25.341 -44.395 0.33 19.24 ? 283 CYS A CB 1 ATOM 2128 S SG A CYS A 1 280 ? 5.078 -26.253 -44.441 0.67 20.25 ? 283 CYS A SG 1 ATOM 2129 S SG B CYS A 1 280 ? 4.541 -24.020 -43.842 0.33 21.50 ? 283 CYS A SG 1 ATOM 2130 N N . THR A 1 281 ? 1.451 -24.375 -41.778 1.00 17.51 ? 284 THR A N 1 ATOM 2131 C CA . THR A 1 281 ? 0.432 -23.422 -41.368 1.00 20.40 ? 284 THR A CA 1 ATOM 2132 C C . THR A 1 281 ? 1.037 -22.095 -40.917 1.00 19.60 ? 284 THR A C 1 ATOM 2133 O O . THR A 1 281 ? 2.168 -22.047 -40.433 1.00 20.64 ? 284 THR A O 1 ATOM 2134 C CB . THR A 1 281 ? -0.435 -23.967 -40.221 1.00 22.10 ? 284 THR A CB 1 ATOM 2135 O OG1 . THR A 1 281 ? 0.405 -24.407 -39.151 1.00 23.77 ? 284 THR A OG1 1 ATOM 2136 C CG2 . THR A 1 281 ? -1.282 -25.145 -40.689 1.00 21.88 ? 284 THR A CG2 1 ATOM 2137 N N . SER A 1 282 ? 0.268 -21.029 -41.100 1.00 17.66 ? 285 SER A N 1 ATOM 2138 C CA . SER A 1 282 ? 0.689 -19.700 -40.674 1.00 18.18 ? 285 SER A CA 1 ATOM 2139 C C . SER A 1 282 ? 0.644 -19.595 -39.164 1.00 19.08 ? 285 SER A C 1 ATOM 2140 O O . SER A 1 282 ? -0.332 -20.007 -38.538 1.00 18.66 ? 285 SER A O 1 ATOM 2141 C CB . SER A 1 282 ? -0.225 -18.635 -41.275 1.00 20.97 ? 285 SER A CB 1 ATOM 2142 O OG . SER A 1 282 ? 0.051 -17.354 -40.724 1.00 19.68 ? 285 SER A OG 1 ATOM 2143 N N . GLY A 1 283 ? 1.702 -19.023 -38.594 1.00 15.96 ? 286 GLY A N 1 ATOM 2144 C CA . GLY A 1 283 ? 1.755 -18.741 -37.166 1.00 16.64 ? 286 GLY A CA 1 ATOM 2145 C C . GLY A 1 283 ? 1.065 -17.446 -36.746 1.00 19.13 ? 286 GLY A C 1 ATOM 2146 O O . GLY A 1 283 ? 1.049 -17.100 -35.569 1.00 17.32 ? 286 GLY A O 1 ATOM 2147 N N . PHE A 1 284 ? 0.500 -16.708 -37.699 1.00 16.12 ? 287 PHE A N 1 ATOM 2148 C CA . PHE A 1 284 ? -0.289 -15.529 -37.352 1.00 16.26 ? 287 PHE A CA 1 ATOM 2149 C C . PHE A 1 284 ? -1.737 -15.905 -37.102 1.00 16.56 ? 287 PHE A C 1 ATOM 2150 O O . PHE A 1 284 ? -2.315 -16.711 -37.840 1.00 21.81 ? 287 PHE A O 1 ATOM 2151 C CB . PHE A 1 284 ? -0.235 -14.490 -38.481 1.00 14.79 ? 287 PHE A CB 1 ATOM 2152 C CG . PHE A 1 284 ? 1.149 -14.005 -38.792 1.00 14.65 ? 287 PHE A CG 1 ATOM 2153 C CD1 . PHE A 1 284 ? 1.706 -12.963 -38.070 1.00 17.90 ? 287 PHE A CD1 1 ATOM 2154 C CD2 . PHE A 1 284 ? 1.890 -14.581 -39.813 1.00 16.64 ? 287 PHE A CD2 1 ATOM 2155 C CE1 . PHE A 1 284 ? 2.990 -12.518 -38.349 1.00 18.72 ? 287 PHE A CE1 1 ATOM 2156 C CE2 . PHE A 1 284 ? 3.170 -14.147 -40.103 1.00 15.50 ? 287 PHE A CE2 1 ATOM 2157 C CZ . PHE A 1 284 ? 3.729 -13.106 -39.360 1.00 17.88 ? 287 PHE A CZ 1 ATOM 2158 N N . GLN A 1 285 ? -2.336 -15.297 -36.090 1.00 15.94 ? 288 GLN A N 1 ATOM 2159 C CA . GLN A 1 285 ? -3.738 -15.537 -35.770 1.00 17.69 ? 288 GLN A CA 1 ATOM 2160 C C . GLN A 1 285 ? -4.453 -14.232 -35.468 1.00 21.94 ? 288 GLN A C 1 ATOM 2161 O O . GLN A 1 285 ? -3.949 -13.386 -34.739 1.00 17.41 ? 288 GLN A O 1 ATOM 2162 C CB . GLN A 1 285 ? -3.883 -16.502 -34.585 1.00 20.56 ? 288 GLN A CB 1 ATOM 2163 C CG . GLN A 1 285 ? -5.327 -16.847 -34.265 1.00 28.20 ? 288 GLN A CG 1 ATOM 2164 C CD . GLN A 1 285 ? -5.449 -18.052 -33.347 1.00 32.39 ? 288 GLN A CD 1 ATOM 2165 O OE1 . GLN A 1 285 ? -4.542 -18.880 -33.271 1.00 36.63 ? 288 GLN A OE1 1 ATOM 2166 N NE2 . GLN A 1 285 ? -6.573 -18.154 -32.648 1.00 39.93 ? 288 GLN A NE2 1 ATOM 2167 N N . GLY A 1 286 ? -5.641 -14.071 -36.029 1.00 24.47 ? 289 GLY A N 1 ATOM 2168 C CA . GLY A 1 286 ? -6.392 -12.851 -35.841 1.00 22.59 ? 289 GLY A CA 1 ATOM 2169 C C . GLY A 1 286 ? -7.316 -12.885 -34.646 1.00 26.44 ? 289 GLY A C 1 ATOM 2170 O O . GLY A 1 286 ? -7.834 -13.940 -34.259 1.00 30.76 ? 289 GLY A O 1 ATOM 2171 N N . ASP A 1 287 ? -7.517 -11.719 -34.047 1.00 25.48 ? 290 ASP A N 1 ATOM 2172 C CA . ASP A 1 287 ? -8.469 -11.567 -32.961 1.00 28.78 ? 290 ASP A CA 1 ATOM 2173 C C . ASP A 1 287 ? -9.447 -10.441 -33.280 1.00 31.23 ? 290 ASP A C 1 ATOM 2174 O O . ASP A 1 287 ? -9.042 -9.307 -33.512 1.00 26.64 ? 290 ASP A O 1 ATOM 2175 C CB . ASP A 1 287 ? -7.738 -11.274 -31.655 1.00 30.14 ? 290 ASP A CB 1 ATOM 2176 C CG . ASP A 1 287 ? -8.648 -11.361 -30.452 1.00 41.06 ? 290 ASP A CG 1 ATOM 2177 O OD1 . ASP A 1 287 ? -9.871 -11.157 -30.611 1.00 43.51 ? 290 ASP A OD1 1 ATOM 2178 O OD2 . ASP A 1 287 ? -8.140 -11.637 -29.346 1.00 39.78 ? 290 ASP A OD2 1 ATOM 2179 N N . ASN A 1 288 ? -10.738 -10.760 -33.295 1.00 37.38 ? 291 ASN A N 1 ATOM 2180 C CA . ASN A 1 288 ? -11.763 -9.790 -33.671 1.00 38.04 ? 291 ASN A CA 1 ATOM 2181 C C . ASN A 1 288 ? -12.121 -8.795 -32.572 1.00 41.89 ? 291 ASN A C 1 ATOM 2182 O O . ASN A 1 288 ? -12.767 -7.782 -32.838 1.00 41.39 ? 291 ASN A O 1 ATOM 2183 C CB . ASN A 1 288 ? -13.036 -10.508 -34.135 1.00 41.27 ? 291 ASN A CB 1 ATOM 2184 C CG . ASN A 1 288 ? -12.849 -11.240 -35.450 1.00 47.13 ? 291 ASN A CG 1 ATOM 2185 O OD1 . ASN A 1 288 ? -12.919 -10.639 -36.524 1.00 50.24 ? 291 ASN A OD1 1 ATOM 2186 N ND2 . ASN A 1 288 ? -12.621 -12.547 -35.374 1.00 50.68 ? 291 ASN A ND2 1 ATOM 2187 N N . ASN A 1 289 ? -11.704 -9.081 -31.343 1.00 38.73 ? 292 ASN A N 1 ATOM 2188 C CA . ASN A 1 289 ? -12.098 -8.263 -30.199 1.00 42.79 ? 292 ASN A CA 1 ATOM 2189 C C . ASN A 1 289 ? -10.938 -7.606 -29.452 1.00 40.67 ? 292 ASN A C 1 ATOM 2190 O O . ASN A 1 289 ? -11.080 -7.225 -28.288 1.00 42.59 ? 292 ASN A O 1 ATOM 2191 C CB . ASN A 1 289 ? -12.940 -9.088 -29.224 1.00 46.61 ? 292 ASN A CB 1 ATOM 2192 C CG . ASN A 1 289 ? -14.175 -9.673 -29.876 1.00 52.75 ? 292 ASN A CG 1 ATOM 2193 O OD1 . ASN A 1 289 ? -15.168 -8.975 -30.090 1.00 55.72 ? 292 ASN A OD1 1 ATOM 2194 N ND2 . ASN A 1 289 ? -14.121 -10.962 -30.197 1.00 49.12 ? 292 ASN A ND2 1 ATOM 2195 N N . SER A 1 290 ? -9.796 -7.469 -30.118 1.00 38.00 ? 293 SER A N 1 ATOM 2196 C CA . SER A 1 290 ? -8.633 -6.852 -29.488 1.00 36.36 ? 293 SER A CA 1 ATOM 2197 C C . SER A 1 290 ? -7.646 -6.281 -30.498 1.00 28.10 ? 293 SER A C 1 ATOM 2198 O O . SER A 1 290 ? -7.318 -6.920 -31.498 1.00 33.97 ? 293 SER A O 1 ATOM 2199 C CB . SER A 1 290 ? -7.914 -7.854 -28.584 1.00 35.48 ? 293 SER A CB 1 ATOM 2200 O OG . SER A 1 290 ? -6.793 -7.247 -27.968 1.00 31.79 ? 293 SER A OG 1 ATOM 2201 N N . GLU A 1 291 ? -7.161 -5.077 -30.214 1.00 24.74 ? 294 GLU A N 1 ATOM 2202 C CA . GLU A 1 291 ? -6.163 -4.435 -31.053 1.00 25.33 ? 294 GLU A CA 1 ATOM 2203 C C . GLU A 1 291 ? -4.741 -4.661 -30.543 1.00 21.40 ? 294 GLU A C 1 ATOM 2204 O O . GLU A 1 291 ? -3.785 -4.145 -31.126 1.00 22.30 ? 294 GLU A O 1 ATOM 2205 C CB . GLU A 1 291 ? -6.440 -2.934 -31.134 1.00 28.09 ? 294 GLU A CB 1 ATOM 2206 C CG . GLU A 1 291 ? -7.764 -2.582 -31.785 1.00 39.92 ? 294 GLU A CG 1 ATOM 2207 C CD . GLU A 1 291 ? -7.736 -2.780 -33.283 1.00 40.44 ? 294 GLU A CD 1 ATOM 2208 O OE1 . GLU A 1 291 ? -6.686 -2.501 -33.901 1.00 42.00 ? 294 GLU A OE1 1 ATOM 2209 O OE2 . GLU A 1 291 ? -8.761 -3.218 -33.842 1.00 45.03 ? 294 GLU A OE2 1 ATOM 2210 N N . LEU A 1 292 ? -4.602 -5.434 -29.468 1.00 19.73 ? 295 LEU A N 1 ATOM 2211 C CA . LEU A 1 292 ? -3.288 -5.688 -28.889 1.00 20.32 ? 295 LEU A CA 1 ATOM 2212 C C . LEU A 1 292 ? -2.566 -6.788 -29.653 1.00 21.07 ? 295 LEU A C 1 ATOM 2213 O O . LEU A 1 292 ? -3.111 -7.876 -29.847 1.00 27.66 ? 295 LEU A O 1 ATOM 2214 C CB . LEU A 1 292 ? -3.418 -6.075 -27.417 1.00 19.66 ? 295 LEU A CB 1 ATOM 2215 C CG . LEU A 1 292 ? -2.093 -6.211 -26.658 1.00 21.41 ? 295 LEU A CG 1 ATOM 2216 C CD1 . LEU A 1 292 ? -1.424 -4.857 -26.460 1.00 19.78 ? 295 LEU A CD1 1 ATOM 2217 C CD2 . LEU A 1 292 ? -2.312 -6.892 -25.318 1.00 23.18 ? 295 LEU A CD2 1 ATOM 2218 N N . TRP A 1 293 ? -1.347 -6.507 -30.096 1.00 16.99 ? 296 TRP A N 1 ATOM 2219 C CA . TRP A 1 293 ? -0.521 -7.531 -30.717 1.00 14.58 ? 296 TRP A CA 1 ATOM 2220 C C . TRP A 1 293 ? 0.146 -8.376 -29.643 1.00 14.42 ? 296 TRP A C 1 ATOM 2221 O O . TRP A 1 293 ? 0.650 -7.846 -28.648 1.00 16.47 ? 296 TRP A O 1 ATOM 2222 C CB . TRP A 1 293 ? 0.540 -6.905 -31.599 1.00 15.95 ? 296 TRP A CB 1 ATOM 2223 C CG . TRP A 1 293 ? -0.042 -6.269 -32.819 1.00 14.58 ? 296 TRP A CG 1 ATOM 2224 C CD1 . TRP A 1 293 ? -0.701 -5.076 -32.894 1.00 18.65 ? 296 TRP A CD1 1 ATOM 2225 C CD2 . TRP A 1 293 ? -0.034 -6.813 -34.134 1.00 17.50 ? 296 TRP A CD2 1 ATOM 2226 N NE1 . TRP A 1 293 ? -1.105 -4.842 -34.193 1.00 18.17 ? 296 TRP A NE1 1 ATOM 2227 C CE2 . TRP A 1 293 ? -0.695 -5.892 -34.972 1.00 15.68 ? 296 TRP A CE2 1 ATOM 2228 C CE3 . TRP A 1 293 ? 0.471 -7.989 -34.688 1.00 17.54 ? 296 TRP A CE3 1 ATOM 2229 C CZ2 . TRP A 1 293 ? -0.863 -6.116 -36.333 1.00 17.50 ? 296 TRP A CZ2 1 ATOM 2230 C CZ3 . TRP A 1 293 ? 0.311 -8.207 -36.040 1.00 20.30 ? 296 TRP A CZ3 1 ATOM 2231 C CH2 . TRP A 1 293 ? -0.351 -7.272 -36.847 1.00 18.01 ? 296 TRP A CH2 1 ATOM 2232 N N . ILE A 1 294 ? 0.138 -9.690 -29.838 1.00 14.41 ? 297 ILE A N 1 ATOM 2233 C CA . ILE A 1 294 ? 0.736 -10.590 -28.859 1.00 15.98 ? 297 ILE A CA 1 ATOM 2234 C C . ILE A 1 294 ? 1.873 -11.349 -29.516 1.00 15.02 ? 297 ILE A C 1 ATOM 2235 O O . ILE A 1 294 ? 1.658 -12.216 -30.374 1.00 15.97 ? 297 ILE A O 1 ATOM 2236 C CB . ILE A 1 294 ? -0.292 -11.575 -28.297 1.00 15.55 ? 297 ILE A CB 1 ATOM 2237 C CG1 . ILE A 1 294 ? -1.491 -10.797 -27.753 1.00 17.50 ? 297 ILE A CG1 1 ATOM 2238 C CG2 . ILE A 1 294 ? 0.358 -12.438 -27.200 1.00 15.71 ? 297 ILE A CG2 1 ATOM 2239 C CD1 . ILE A 1 294 ? -2.561 -11.654 -27.132 1.00 28.12 ? 297 ILE A CD1 1 ATOM 2240 N N . LEU A 1 295 ? 3.092 -11.015 -29.121 1.00 13.74 ? 298 LEU A N 1 ATOM 2241 C CA . LEU A 1 295 ? 4.251 -11.649 -29.702 1.00 12.98 ? 298 LEU A CA 1 ATOM 2242 C C . LEU A 1 295 ? 4.614 -12.843 -28.845 1.00 14.55 ? 298 LEU A C 1 ATOM 2243 O O . LEU A 1 295 ? 5.246 -12.700 -27.792 1.00 14.55 ? 298 LEU A O 1 ATOM 2244 C CB . LEU A 1 295 ? 5.419 -10.670 -29.803 1.00 14.55 ? 298 LEU A CB 1 ATOM 2245 C CG . LEU A 1 295 ? 5.107 -9.361 -30.539 1.00 19.18 ? 298 LEU A CG 1 ATOM 2246 C CD1 . LEU A 1 295 ? 6.365 -8.543 -30.748 1.00 19.03 ? 298 LEU A CD1 1 ATOM 2247 C CD2 . LEU A 1 295 ? 4.423 -9.627 -31.867 1.00 18.47 ? 298 LEU A CD2 1 ATOM 2248 N N . GLY A 1 296 ? 4.184 -14.013 -29.297 1.00 15.45 ? 299 GLY A N 1 ATOM 2249 C CA . GLY A 1 296 ? 4.368 -15.238 -28.550 1.00 15.42 ? 299 GLY A CA 1 ATOM 2250 C C . GLY A 1 296 ? 5.608 -15.962 -29.011 1.00 15.69 ? 299 GLY A C 1 ATOM 2251 O O . GLY A 1 296 ? 6.566 -15.347 -29.492 1.00 15.89 ? 299 GLY A O 1 ATOM 2252 N N . ASP A 1 297 ? 5.597 -17.283 -28.870 1.00 16.65 ? 300 ASP A N 1 ATOM 2253 C CA . ASP A 1 297 ? 6.789 -18.063 -29.155 1.00 17.92 ? 300 ASP A CA 1 ATOM 2254 C C . ASP A 1 297 ? 7.279 -17.917 -30.599 1.00 19.51 ? 300 ASP A C 1 ATOM 2255 O O . ASP A 1 297 ? 8.476 -17.992 -30.853 1.00 23.33 ? 300 ASP A O 1 ATOM 2256 C CB . ASP A 1 297 ? 6.570 -19.534 -28.786 1.00 23.94 ? 300 ASP A CB 1 ATOM 2257 C CG . ASP A 1 297 ? 6.110 -19.716 -27.339 1.00 32.42 ? 300 ASP A CG 1 ATOM 2258 O OD1 . ASP A 1 297 ? 6.280 -18.796 -26.501 1.00 32.21 ? 300 ASP A OD1 1 ATOM 2259 O OD2 . ASP A 1 297 ? 5.573 -20.798 -27.036 1.00 34.17 ? 300 ASP A OD2 1 ATOM 2260 N N . VAL A 1 298 ? 6.365 -17.683 -31.540 1.00 18.00 ? 301 VAL A N 1 ATOM 2261 C CA . VAL A 1 298 ? 6.761 -17.466 -32.933 1.00 19.65 ? 301 VAL A CA 1 ATOM 2262 C C . VAL A 1 298 ? 7.849 -16.393 -32.990 1.00 18.95 ? 301 VAL A C 1 ATOM 2263 O O . VAL A 1 298 ? 8.850 -16.536 -33.697 1.00 21.40 ? 301 VAL A O 1 ATOM 2264 C CB . VAL A 1 298 ? 5.568 -17.032 -33.811 1.00 21.28 ? 301 VAL A CB 1 ATOM 2265 C CG1 . VAL A 1 298 ? 6.049 -16.539 -35.200 1.00 21.46 ? 301 VAL A CG1 1 ATOM 2266 C CG2 . VAL A 1 298 ? 4.564 -18.174 -33.958 1.00 22.64 ? 301 VAL A CG2 1 ATOM 2267 N N . PHE A 1 299 ? 7.653 -15.320 -32.230 1.00 16.64 ? 302 PHE A N 1 ATOM 2268 C CA . PHE A 1 299 ? 8.604 -14.219 -32.214 1.00 14.90 ? 302 PHE A CA 1 ATOM 2269 C C . PHE A 1 299 ? 9.791 -14.485 -31.293 1.00 16.11 ? 302 PHE A C 1 ATOM 2270 O O . PHE A 1 299 ? 10.939 -14.275 -31.660 1.00 15.87 ? 302 PHE A O 1 ATOM 2271 C CB . PHE A 1 299 ? 7.898 -12.925 -31.801 1.00 15.31 ? 302 PHE A CB 1 ATOM 2272 C CG . PHE A 1 299 ? 8.766 -11.702 -31.889 1.00 15.03 ? 302 PHE A CG 1 ATOM 2273 C CD1 . PHE A 1 299 ? 8.822 -10.954 -33.062 1.00 15.91 ? 302 PHE A CD1 1 ATOM 2274 C CD2 . PHE A 1 299 ? 9.518 -11.288 -30.802 1.00 16.19 ? 302 PHE A CD2 1 ATOM 2275 C CE1 . PHE A 1 299 ? 9.619 -9.822 -33.139 1.00 17.75 ? 302 PHE A CE1 1 ATOM 2276 C CE2 . PHE A 1 299 ? 10.317 -10.153 -30.877 1.00 16.81 ? 302 PHE A CE2 1 ATOM 2277 C CZ . PHE A 1 299 ? 10.364 -9.420 -32.054 1.00 15.96 ? 302 PHE A CZ 1 ATOM 2278 N N . ILE A 1 300 ? 9.509 -14.959 -30.084 1.00 15.83 ? 303 ILE A N 1 ATOM 2279 C CA . ILE A 1 300 ? 10.561 -15.118 -29.093 1.00 17.47 ? 303 ILE A CA 1 ATOM 2280 C C . ILE A 1 300 ? 11.598 -16.188 -29.473 1.00 17.72 ? 303 ILE A C 1 ATOM 2281 O O . ILE A 1 300 ? 12.778 -16.063 -29.142 1.00 18.36 ? 303 ILE A O 1 ATOM 2282 C CB . ILE A 1 300 ? 9.954 -15.344 -27.690 1.00 17.78 ? 303 ILE A CB 1 ATOM 2283 C CG1 . ILE A 1 300 ? 9.074 -14.145 -27.321 1.00 15.69 ? 303 ILE A CG1 1 ATOM 2284 C CG2 . ILE A 1 300 ? 11.057 -15.578 -26.660 1.00 17.27 ? 303 ILE A CG2 1 ATOM 2285 C CD1 . ILE A 1 300 ? 8.246 -14.355 -26.027 1.00 18.97 ? 303 ILE A CD1 1 ATOM 2286 N N . ARG A 1 301 ? 11.172 -17.218 -30.201 1.00 18.86 ? 304 ARG A N 1 ATOM 2287 C CA . ARG A 1 301 ? 12.112 -18.212 -30.720 1.00 19.76 ? 304 ARG A CA 1 ATOM 2288 C C . ARG A 1 301 ? 13.194 -17.575 -31.595 1.00 21.22 ? 304 ARG A C 1 ATOM 2289 O O . ARG A 1 301 ? 14.331 -18.050 -31.641 1.00 22.49 ? 304 ARG A O 1 ATOM 2290 C CB . ARG A 1 301 ? 11.367 -19.282 -31.520 1.00 21.18 ? 304 ARG A CB 1 ATOM 2291 C CG . ARG A 1 301 ? 10.954 -20.470 -30.702 1.00 26.40 ? 304 ARG A CG 1 ATOM 2292 C CD . ARG A 1 301 ? 10.208 -21.464 -31.566 1.00 31.79 ? 304 ARG A CD 1 ATOM 2293 N NE . ARG A 1 301 ? 8.770 -21.269 -31.461 1.00 42.63 ? 304 ARG A NE 1 ATOM 2294 C CZ . ARG A 1 301 ? 7.925 -22.194 -31.021 1.00 44.93 ? 304 ARG A CZ 1 ATOM 2295 N NH1 . ARG A 1 301 ? 8.376 -23.390 -30.659 1.00 47.59 ? 304 ARG A NH1 1 ATOM 2296 N NH2 . ARG A 1 301 ? 6.629 -21.928 -30.954 1.00 46.76 ? 304 ARG A NH2 1 ATOM 2297 N N . GLU A 1 302 ? 12.837 -16.497 -32.285 1.00 18.03 ? 305 GLU A N 1 ATOM 2298 C CA . GLU A 1 302 ? 13.782 -15.804 -33.158 1.00 21.28 ? 305 GLU A CA 1 ATOM 2299 C C . GLU A 1 302 ? 14.595 -14.762 -32.410 1.00 19.09 ? 305 GLU A C 1 ATOM 2300 O O . GLU A 1 302 ? 15.721 -14.457 -32.788 1.00 19.41 ? 305 GLU A O 1 ATOM 2301 C CB . GLU A 1 302 ? 13.049 -15.139 -34.321 1.00 21.32 ? 305 GLU A CB 1 ATOM 2302 C CG . GLU A 1 302 ? 12.621 -16.112 -35.384 1.00 25.30 ? 305 GLU A CG 1 ATOM 2303 C CD . GLU A 1 302 ? 13.801 -16.857 -35.979 1.00 23.26 ? 305 GLU A CD 1 ATOM 2304 O OE1 . GLU A 1 302 ? 14.646 -16.212 -36.640 1.00 30.78 ? 305 GLU A OE1 1 ATOM 2305 O OE2 . GLU A 1 302 ? 13.880 -18.084 -35.788 1.00 29.88 ? 305 GLU A OE2 1 ATOM 2306 N N . TYR A 1 303 ? 14.030 -14.220 -31.338 1.00 16.43 ? 306 TYR A N 1 ATOM 2307 C CA . TYR A 1 303 ? 14.690 -13.139 -30.617 1.00 15.66 ? 306 TYR A CA 1 ATOM 2308 C C . TYR A 1 303 ? 14.779 -13.401 -29.114 1.00 16.04 ? 306 TYR A C 1 ATOM 2309 O O . TYR A 1 303 ? 13.768 -13.375 -28.402 1.00 17.28 ? 306 TYR A O 1 ATOM 2310 C CB . TYR A 1 303 ? 14.006 -11.803 -30.923 1.00 16.70 ? 306 TYR A CB 1 ATOM 2311 C CG . TYR A 1 303 ? 14.134 -11.485 -32.391 1.00 15.17 ? 306 TYR A CG 1 ATOM 2312 C CD1 . TYR A 1 303 ? 15.347 -11.051 -32.904 1.00 20.23 ? 306 TYR A CD1 1 ATOM 2313 C CD2 . TYR A 1 303 ? 13.076 -11.688 -33.271 1.00 16.83 ? 306 TYR A CD2 1 ATOM 2314 C CE1 . TYR A 1 303 ? 15.502 -10.798 -34.248 1.00 18.42 ? 306 TYR A CE1 1 ATOM 2315 C CE2 . TYR A 1 303 ? 13.228 -11.439 -34.628 1.00 18.05 ? 306 TYR A CE2 1 ATOM 2316 C CZ . TYR A 1 303 ? 14.441 -10.989 -35.098 1.00 19.57 ? 306 TYR A CZ 1 ATOM 2317 O OH . TYR A 1 303 ? 14.608 -10.735 -36.442 1.00 19.68 ? 306 TYR A OH 1 ATOM 2318 N N . TYR A 1 304 ? 15.995 -13.692 -28.659 1.00 15.11 ? 307 TYR A N 1 ATOM 2319 C CA . TYR A 1 304 ? 16.307 -13.766 -27.231 1.00 15.14 ? 307 TYR A CA 1 ATOM 2320 C C . TYR A 1 304 ? 15.767 -12.519 -26.561 1.00 14.39 ? 307 TYR A C 1 ATOM 2321 O O . TYR A 1 304 ? 15.994 -11.399 -27.032 1.00 15.57 ? 307 TYR A O 1 ATOM 2322 C CB . TYR A 1 304 ? 17.820 -13.856 -27.055 1.00 15.88 ? 307 TYR A CB 1 ATOM 2323 C CG . TYR A 1 304 ? 18.308 -14.071 -25.642 1.00 15.81 ? 307 TYR A CG 1 ATOM 2324 C CD1 . TYR A 1 304 ? 18.141 -15.294 -25.007 1.00 19.13 ? 307 TYR A CD1 1 ATOM 2325 C CD2 . TYR A 1 304 ? 18.967 -13.063 -24.956 1.00 19.34 ? 307 TYR A CD2 1 ATOM 2326 C CE1 . TYR A 1 304 ? 18.597 -15.499 -23.719 1.00 21.71 ? 307 TYR A CE1 1 ATOM 2327 C CE2 . TYR A 1 304 ? 19.436 -13.263 -23.669 1.00 21.07 ? 307 TYR A CE2 1 ATOM 2328 C CZ . TYR A 1 304 ? 19.251 -14.488 -23.057 1.00 19.05 ? 307 TYR A CZ 1 ATOM 2329 O OH . TYR A 1 304 ? 19.717 -14.705 -21.767 1.00 19.78 ? 307 TYR A OH 1 ATOM 2330 N N . SER A 1 305 ? 15.056 -12.698 -25.446 1.00 13.51 ? 308 SER A N 1 ATOM 2331 C CA . SER A 1 305 ? 14.296 -11.593 -24.878 1.00 14.24 ? 308 SER A CA 1 ATOM 2332 C C . SER A 1 305 ? 14.666 -11.338 -23.423 1.00 13.41 ? 308 SER A C 1 ATOM 2333 O O . SER A 1 305 ? 14.646 -12.257 -22.610 1.00 14.54 ? 308 SER A O 1 ATOM 2334 C CB . SER A 1 305 ? 12.798 -11.882 -24.983 1.00 13.96 ? 308 SER A CB 1 ATOM 2335 O OG . SER A 1 305 ? 12.383 -11.955 -26.347 1.00 14.56 ? 308 SER A OG 1 ATOM 2336 N N . VAL A 1 306 ? 14.991 -10.087 -23.122 1.00 12.18 ? 309 VAL A N 1 ATOM 2337 C CA . VAL A 1 306 ? 15.353 -9.664 -21.774 1.00 12.17 ? 309 VAL A CA 1 ATOM 2338 C C . VAL A 1 306 ? 14.273 -8.748 -21.213 1.00 13.51 ? 309 VAL A C 1 ATOM 2339 O O . VAL A 1 306 ? 13.830 -7.793 -21.863 1.00 13.95 ? 309 VAL A O 1 ATOM 2340 C CB . VAL A 1 306 ? 16.717 -8.970 -21.748 1.00 14.58 ? 309 VAL A CB 1 ATOM 2341 C CG1 . VAL A 1 306 ? 17.086 -8.572 -20.322 1.00 15.15 ? 309 VAL A CG1 1 ATOM 2342 C CG2 . VAL A 1 306 ? 17.784 -9.889 -22.326 1.00 17.54 ? 309 VAL A CG2 1 ATOM 2343 N N . PHE A 1 307 ? 13.845 -9.049 -19.994 1.00 10.76 ? 310 PHE A N 1 ATOM 2344 C CA . PHE A 1 307 ? 12.757 -8.325 -19.344 1.00 12.00 ? 310 PHE A CA 1 ATOM 2345 C C . PHE A 1 307 ? 13.345 -7.596 -18.151 1.00 12.44 ? 310 PHE A C 1 ATOM 2346 O O . PHE A 1 307 ? 13.664 -8.214 -17.140 1.00 13.11 ? 310 PHE A O 1 ATOM 2347 C CB . PHE A 1 307 ? 11.681 -9.328 -18.907 1.00 12.56 ? 310 PHE A CB 1 ATOM 2348 C CG . PHE A 1 307 ? 11.063 -10.086 -20.065 1.00 11.02 ? 310 PHE A CG 1 ATOM 2349 C CD1 . PHE A 1 307 ? 11.719 -11.169 -20.647 1.00 12.28 ? 310 PHE A CD1 1 ATOM 2350 C CD2 . PHE A 1 307 ? 9.825 -9.701 -20.575 1.00 11.09 ? 310 PHE A CD2 1 ATOM 2351 C CE1 . PHE A 1 307 ? 11.151 -11.858 -21.728 1.00 11.35 ? 310 PHE A CE1 1 ATOM 2352 C CE2 . PHE A 1 307 ? 9.252 -10.395 -21.658 1.00 11.41 ? 310 PHE A CE2 1 ATOM 2353 C CZ . PHE A 1 307 ? 9.915 -11.469 -22.219 1.00 11.59 ? 310 PHE A CZ 1 ATOM 2354 N N . ASP A 1 308 ? 13.504 -6.284 -18.276 1.00 12.15 ? 311 ASP A N 1 ATOM 2355 C CA . ASP A 1 308 ? 14.267 -5.499 -17.309 1.00 14.29 ? 311 ASP A CA 1 ATOM 2356 C C . ASP A 1 308 ? 13.333 -4.631 -16.481 1.00 13.93 ? 311 ASP A C 1 ATOM 2357 O O . ASP A 1 308 ? 12.783 -3.642 -16.971 1.00 14.42 ? 311 ASP A O 1 ATOM 2358 C CB . ASP A 1 308 ? 15.290 -4.653 -18.085 1.00 13.67 ? 311 ASP A CB 1 ATOM 2359 C CG . ASP A 1 308 ? 16.171 -3.785 -17.191 1.00 16.43 ? 311 ASP A CG 1 ATOM 2360 O OD1 . ASP A 1 308 ? 15.944 -3.703 -15.973 1.00 16.02 ? 311 ASP A OD1 1 ATOM 2361 O OD2 . ASP A 1 308 ? 17.106 -3.164 -17.742 1.00 18.43 ? 311 ASP A OD2 1 ATOM 2362 N N . ARG A 1 309 ? 13.136 -5.011 -15.218 1.00 12.17 ? 312 ARG A N 1 ATOM 2363 C CA . ARG A 1 309 ? 12.282 -4.251 -14.319 1.00 13.23 ? 312 ARG A CA 1 ATOM 2364 C C . ARG A 1 309 ? 12.949 -2.989 -13.750 1.00 16.66 ? 312 ARG A C 1 ATOM 2365 O O . ARG A 1 309 ? 12.268 -2.014 -13.443 1.00 17.75 ? 312 ARG A O 1 ATOM 2366 C CB . ARG A 1 309 ? 11.791 -5.142 -13.160 1.00 12.11 ? 312 ARG A CB 1 ATOM 2367 C CG . ARG A 1 309 ? 10.756 -6.190 -13.573 1.00 12.84 ? 312 ARG A CG 1 ATOM 2368 C CD . ARG A 1 309 ? 9.380 -5.555 -13.823 1.00 11.77 ? 312 ARG A CD 1 ATOM 2369 N NE . ARG A 1 309 ? 8.874 -4.903 -12.618 1.00 13.02 ? 312 ARG A NE 1 ATOM 2370 C CZ . ARG A 1 309 ? 8.212 -5.524 -11.648 1.00 12.30 ? 312 ARG A CZ 1 ATOM 2371 N NH1 . ARG A 1 309 ? 7.948 -6.829 -11.738 1.00 11.82 ? 312 ARG A NH1 1 ATOM 2372 N NH2 . ARG A 1 309 ? 7.819 -4.843 -10.577 1.00 13.52 ? 312 ARG A NH2 1 ATOM 2373 N N . ALA A 1 310 ? 14.270 -3.016 -13.585 1.00 14.65 ? 313 ALA A N 1 ATOM 2374 C CA . ALA A 1 310 ? 14.955 -1.864 -13.010 1.00 18.34 ? 313 ALA A CA 1 ATOM 2375 C C . ALA A 1 310 ? 14.793 -0.658 -13.913 1.00 18.03 ? 313 ALA A C 1 ATOM 2376 O O . ALA A 1 310 ? 14.592 0.471 -13.445 1.00 19.03 ? 313 ALA A O 1 ATOM 2377 C CB . ALA A 1 310 ? 16.432 -2.169 -12.792 1.00 15.80 ? 313 ALA A CB 1 ATOM 2378 N N . ASN A 1 311 ? 14.856 -0.914 -15.217 1.00 17.50 ? 314 ASN A N 1 ATOM 2379 C CA . ASN A 1 311 ? 14.797 0.134 -16.217 1.00 17.14 ? 314 ASN A CA 1 ATOM 2380 C C . ASN A 1 311 ? 13.545 0.073 -17.088 1.00 20.24 ? 314 ASN A C 1 ATOM 2381 O O . ASN A 1 311 ? 13.464 0.776 -18.089 1.00 20.65 ? 314 ASN A O 1 ATOM 2382 C CB . ASN A 1 311 ? 16.047 0.069 -17.098 1.00 18.00 ? 314 ASN A CB 1 ATOM 2383 C CG . ASN A 1 311 ? 17.324 0.170 -16.287 1.00 20.09 ? 314 ASN A CG 1 ATOM 2384 O OD1 . ASN A 1 311 ? 17.563 1.183 -15.632 1.00 23.45 ? 314 ASN A OD1 1 ATOM 2385 N ND2 . ASN A 1 311 ? 18.141 -0.872 -16.321 1.00 21.46 ? 314 ASN A ND2 1 ATOM 2386 N N . ASN A 1 312 ? 12.575 -0.759 -16.702 1.00 15.01 ? 315 ASN A N 1 ATOM 2387 C CA . ASN A 1 312 ? 11.302 -0.872 -17.444 1.00 14.74 ? 315 ASN A CA 1 ATOM 2388 C C . ASN A 1 312 ? 11.470 -0.865 -18.942 1.00 15.09 ? 315 ASN A C 1 ATOM 2389 O O . ASN A 1 312 ? 10.986 0.025 -19.644 1.00 15.74 ? 315 ASN A O 1 ATOM 2390 C CB . ASN A 1 312 ? 10.324 0.201 -16.995 1.00 13.76 ? 315 ASN A CB 1 ATOM 2391 C CG . ASN A 1 312 ? 9.984 0.059 -15.542 1.00 16.40 ? 315 ASN A CG 1 ATOM 2392 O OD1 . ASN A 1 312 ? 9.399 -0.943 -15.142 1.00 14.93 ? 315 ASN A OD1 1 ATOM 2393 N ND2 . ASN A 1 312 ? 10.388 1.029 -14.731 1.00 16.79 ? 315 ASN A ND2 1 ATOM 2394 N N . ARG A 1 313 ? 12.146 -1.893 -19.422 1.00 13.29 ? 316 ARG A N 1 ATOM 2395 C CA . ARG A 1 313 ? 12.439 -2.010 -20.831 1.00 11.76 ? 316 ARG A CA 1 ATOM 2396 C C . ARG A 1 313 ? 12.597 -3.472 -21.184 1.00 14.56 ? 316 ARG A C 1 ATOM 2397 O O . ARG A 1 313 ? 12.834 -4.328 -20.307 1.00 13.38 ? 316 ARG A O 1 ATOM 2398 C CB . ARG A 1 313 ? 13.722 -1.243 -21.174 1.00 14.96 ? 316 ARG A CB 1 ATOM 2399 C CG . ARG A 1 313 ? 14.945 -1.738 -20.414 1.00 15.19 ? 316 ARG A CG 1 ATOM 2400 C CD . ARG A 1 313 ? 16.188 -0.914 -20.730 1.00 17.92 ? 316 ARG A CD 1 ATOM 2401 N NE . ARG A 1 313 ? 17.362 -1.480 -20.078 1.00 19.29 ? 316 ARG A NE 1 ATOM 2402 C CZ . ARG A 1 313 ? 18.607 -1.078 -20.308 1.00 26.27 ? 316 ARG A CZ 1 ATOM 2403 N NH1 . ARG A 1 313 ? 18.837 -0.092 -21.163 1.00 27.69 ? 316 ARG A NH1 1 ATOM 2404 N NH2 . ARG A 1 313 ? 19.615 -1.656 -19.672 1.00 32.70 ? 316 ARG A NH2 1 ATOM 2405 N N . VAL A 1 314 ? 12.428 -3.749 -22.469 1.00 13.86 ? 317 VAL A N 1 ATOM 2406 C CA A VAL A 1 314 ? 12.622 -5.072 -23.032 0.58 11.69 ? 317 VAL A CA 1 ATOM 2407 C CA B VAL A 1 314 ? 12.679 -5.085 -22.980 0.42 11.74 ? 317 VAL A CA 1 ATOM 2408 C C . VAL A 1 314 ? 13.851 -5.047 -23.937 1.00 16.01 ? 317 VAL A C 1 ATOM 2409 O O . VAL A 1 314 ? 14.023 -4.102 -24.708 1.00 17.36 ? 317 VAL A O 1 ATOM 2410 C CB A VAL A 1 314 ? 11.386 -5.479 -23.853 0.58 14.09 ? 317 VAL A CB 1 ATOM 2411 C CB B VAL A 1 314 ? 11.453 -5.697 -23.675 0.42 14.33 ? 317 VAL A CB 1 ATOM 2412 C CG1 A VAL A 1 314 ? 11.633 -6.780 -24.589 0.58 14.75 ? 317 VAL A CG1 1 ATOM 2413 C CG1 B VAL A 1 314 ? 10.358 -6.006 -22.654 0.42 11.81 ? 317 VAL A CG1 1 ATOM 2414 C CG2 A VAL A 1 314 ? 10.159 -5.591 -22.947 0.58 13.92 ? 317 VAL A CG2 1 ATOM 2415 C CG2 B VAL A 1 314 ? 10.954 -4.780 -24.771 0.42 14.91 ? 317 VAL A CG2 1 ATOM 2416 N N . GLY A 1 315 ? 14.688 -6.066 -23.845 1.00 14.01 ? 318 GLY A N 1 ATOM 2417 C CA . GLY A 1 315 ? 15.863 -6.158 -24.692 1.00 14.69 ? 318 GLY A CA 1 ATOM 2418 C C . GLY A 1 315 ? 15.691 -7.283 -25.677 1.00 16.15 ? 318 GLY A C 1 ATOM 2419 O O . GLY A 1 315 ? 15.200 -8.350 -25.328 1.00 14.79 ? 318 GLY A O 1 ATOM 2420 N N . LEU A 1 316 ? 16.068 -7.040 -26.931 1.00 14.86 ? 319 LEU A N 1 ATOM 2421 C CA . LEU A 1 316 ? 15.946 -8.058 -27.964 1.00 15.26 ? 319 LEU A CA 1 ATOM 2422 C C . LEU A 1 316 ? 17.273 -8.250 -28.690 1.00 18.19 ? 319 LEU A C 1 ATOM 2423 O O . LEU A 1 316 ? 17.964 -7.280 -28.992 1.00 21.27 ? 319 LEU A O 1 ATOM 2424 C CB . LEU A 1 316 ? 14.865 -7.668 -28.983 1.00 15.43 ? 319 LEU A CB 1 ATOM 2425 C CG . LEU A 1 316 ? 13.430 -7.501 -28.469 1.00 15.86 ? 319 LEU A CG 1 ATOM 2426 C CD1 . LEU A 1 316 ? 12.545 -6.884 -29.552 1.00 18.41 ? 319 LEU A CD1 1 ATOM 2427 C CD2 . LEU A 1 316 ? 12.870 -8.832 -27.997 1.00 17.39 ? 319 LEU A CD2 1 ATOM 2428 N N . ALA A 1 317 ? 17.618 -9.508 -28.947 1.00 16.41 ? 320 ALA A N 1 ATOM 2429 C CA . ALA A 1 317 ? 18.780 -9.849 -29.774 1.00 19.51 ? 320 ALA A CA 1 ATOM 2430 C C . ALA A 1 317 ? 18.483 -11.108 -30.577 1.00 18.63 ? 320 ALA A C 1 ATOM 2431 O O . ALA A 1 317 ? 17.659 -11.933 -30.176 1.00 18.48 ? 320 ALA A O 1 ATOM 2432 C CB . ALA A 1 317 ? 20.012 -10.057 -28.900 1.00 21.53 ? 320 ALA A CB 1 ATOM 2433 N N . LYS A 1 318 ? 19.139 -11.259 -31.723 1.00 20.10 ? 321 LYS A N 1 ATOM 2434 C CA . LYS A 1 318 ? 18.929 -12.445 -32.542 1.00 20.11 ? 321 LYS A CA 1 ATOM 2435 C C . LYS A 1 318 ? 19.358 -13.700 -31.788 1.00 20.64 ? 321 LYS A C 1 ATOM 2436 O O . LYS A 1 318 ? 20.507 -13.814 -31.345 1.00 22.05 ? 321 LYS A O 1 ATOM 2437 C CB . LYS A 1 318 ? 19.695 -12.326 -33.871 1.00 24.61 ? 321 LYS A CB 1 ATOM 2438 C CG . LYS A 1 318 ? 19.474 -13.499 -34.815 1.00 27.06 ? 321 LYS A CG 1 ATOM 2439 C CD . LYS A 1 318 ? 20.366 -13.380 -36.049 1.00 38.98 ? 321 LYS A CD 1 ATOM 2440 C CE . LYS A 1 318 ? 20.231 -14.595 -36.951 1.00 45.43 ? 321 LYS A CE 1 ATOM 2441 N NZ . LYS A 1 318 ? 21.104 -14.476 -38.153 1.00 51.48 ? 321 LYS A NZ 1 ATOM 2442 N N . ALA A 1 319 ? 18.430 -14.641 -31.632 1.00 19.40 ? 322 ALA A N 1 ATOM 2443 C CA . ALA A 1 319 ? 18.709 -15.868 -30.894 1.00 20.88 ? 322 ALA A CA 1 ATOM 2444 C C . ALA A 1 319 ? 19.630 -16.796 -31.681 1.00 25.16 ? 322 ALA A C 1 ATOM 2445 O O . ALA A 1 319 ? 19.585 -16.825 -32.915 1.00 28.03 ? 322 ALA A O 1 ATOM 2446 C CB . ALA A 1 319 ? 17.418 -16.590 -30.561 1.00 21.33 ? 322 ALA A CB 1 ATOM 2447 N N . ILE A 1 320 ? 20.452 -17.560 -30.967 1.00 28.35 ? 323 ILE A N 1 ATOM 2448 C CA . ILE A 1 320 ? 21.223 -18.626 -31.597 1.00 34.63 ? 323 ILE A CA 1 ATOM 2449 C C . ILE A 1 320 ? 20.272 -19.691 -32.125 1.00 38.72 ? 323 ILE A C 1 ATOM 2450 O O . ILE A 1 320 ? 19.101 -19.726 -31.743 1.00 41.05 ? 323 ILE A O 1 ATOM 2451 C CB . ILE A 1 320 ? 22.195 -19.300 -30.613 1.00 28.67 ? 323 ILE A CB 1 ATOM 2452 C CG1 . ILE A 1 320 ? 21.421 -19.962 -29.467 1.00 31.82 ? 323 ILE A CG1 1 ATOM 2453 C CG2 . ILE A 1 320 ? 23.212 -18.299 -30.092 1.00 33.28 ? 323 ILE A CG2 1 ATOM 2454 C CD1 . ILE A 1 320 ? 22.293 -20.802 -28.545 1.00 31.96 ? 323 ILE A CD1 1 ATOM 2455 O OXT . ILE A 1 320 ? 20.645 -20.544 -32.932 1.00 42.23 ? 323 ILE A OXT 1 HETATM 2456 C C1 . NAG B 2 . ? 8.653 -14.989 6.806 1.00 45.22 ? 500 NAG A C1 1 HETATM 2457 C C2 . NAG B 2 . ? 7.948 -13.943 7.669 1.00 48.39 ? 500 NAG A C2 1 HETATM 2458 C C3 . NAG B 2 . ? 7.965 -14.305 9.153 1.00 50.84 ? 500 NAG A C3 1 HETATM 2459 C C4 . NAG B 2 . ? 7.561 -15.757 9.368 1.00 47.13 ? 500 NAG A C4 1 HETATM 2460 C C5 . NAG B 2 . ? 8.399 -16.657 8.471 1.00 45.09 ? 500 NAG A C5 1 HETATM 2461 C C6 . NAG B 2 . ? 8.009 -18.117 8.642 1.00 44.99 ? 500 NAG A C6 1 HETATM 2462 C C7 . NAG B 2 . ? 7.875 -11.605 6.971 1.00 52.45 ? 500 NAG A C7 1 HETATM 2463 C C8 . NAG B 2 . ? 8.586 -10.281 6.942 1.00 49.00 ? 500 NAG A C8 1 HETATM 2464 N N2 . NAG B 2 . ? 8.558 -12.638 7.466 1.00 47.81 ? 500 NAG A N2 1 HETATM 2465 O O3 . NAG B 2 . ? 7.077 -13.463 9.852 1.00 55.77 ? 500 NAG A O3 1 HETATM 2466 O O4 . NAG B 2 . ? 7.753 -16.124 10.719 1.00 54.59 ? 500 NAG A O4 1 HETATM 2467 O O5 . NAG B 2 . ? 8.219 -16.296 7.118 1.00 33.10 ? 500 NAG A O5 1 HETATM 2468 O O6 . NAG B 2 . ? 8.557 -18.856 7.573 1.00 44.68 ? 500 NAG A O6 1 HETATM 2469 O O7 . NAG B 2 . ? 6.721 -11.699 6.554 1.00 53.71 ? 500 NAG A O7 1 HETATM 2470 S S . SO4 C 3 . ? -1.277 -37.231 -4.507 1.00 43.15 ? 1324 SO4 A S 1 HETATM 2471 O O1 . SO4 C 3 . ? -0.251 -38.106 -5.074 1.00 49.84 ? 1324 SO4 A O1 1 HETATM 2472 O O2 . SO4 C 3 . ? -2.597 -37.787 -4.794 1.00 43.39 ? 1324 SO4 A O2 1 HETATM 2473 O O3 . SO4 C 3 . ? -1.099 -37.142 -3.056 1.00 48.63 ? 1324 SO4 A O3 1 HETATM 2474 O O4 . SO4 C 3 . ? -1.163 -35.903 -5.101 1.00 44.98 ? 1324 SO4 A O4 1 HETATM 2475 S S . SO4 D 3 . ? -7.647 -38.172 -3.726 1.00 44.02 ? 1325 SO4 A S 1 HETATM 2476 O O1 . SO4 D 3 . ? -6.377 -38.678 -4.239 1.00 40.61 ? 1325 SO4 A O1 1 HETATM 2477 O O2 . SO4 D 3 . ? -8.176 -37.153 -4.627 1.00 43.54 ? 1325 SO4 A O2 1 HETATM 2478 O O3 . SO4 D 3 . ? -8.606 -39.268 -3.627 1.00 53.46 ? 1325 SO4 A O3 1 HETATM 2479 O O4 . SO4 D 3 . ? -7.440 -37.595 -2.403 1.00 46.36 ? 1325 SO4 A O4 1 HETATM 2480 S S . SO4 E 3 . ? 19.493 0.773 -28.944 1.00 61.67 ? 1326 SO4 A S 1 HETATM 2481 O O1 . SO4 E 3 . ? 19.279 0.106 -27.654 1.00 32.62 ? 1326 SO4 A O1 1 HETATM 2482 O O2 . SO4 E 3 . ? 18.895 2.108 -28.931 1.00 57.26 ? 1326 SO4 A O2 1 HETATM 2483 O O3 . SO4 E 3 . ? 20.926 0.887 -29.205 1.00 61.44 ? 1326 SO4 A O3 1 HETATM 2484 O O4 . SO4 E 3 . ? 18.875 0.000 -30.018 1.00 46.00 ? 1326 SO4 A O4 1 HETATM 2485 S S . SO4 F 3 . ? 21.503 -1.937 -15.367 1.00 52.47 ? 1327 SO4 A S 1 HETATM 2486 O O1 . SO4 F 3 . ? 22.272 -1.256 -16.410 1.00 53.68 ? 1327 SO4 A O1 1 HETATM 2487 O O2 . SO4 F 3 . ? 20.796 -3.073 -15.964 1.00 39.01 ? 1327 SO4 A O2 1 HETATM 2488 O O3 . SO4 F 3 . ? 22.405 -2.420 -14.320 1.00 50.18 ? 1327 SO4 A O3 1 HETATM 2489 O O4 . SO4 F 3 . ? 20.552 -1.002 -14.769 1.00 42.84 ? 1327 SO4 A O4 1 HETATM 2490 S S . SO4 G 3 . ? -7.030 -36.478 2.057 1.00 65.88 ? 1328 SO4 A S 1 HETATM 2491 O O1 . SO4 G 3 . ? -6.019 -36.280 1.017 1.00 50.16 ? 1328 SO4 A O1 1 HETATM 2492 O O2 . SO4 G 3 . ? -7.907 -35.311 2.101 1.00 53.79 ? 1328 SO4 A O2 1 HETATM 2493 O O3 . SO4 G 3 . ? -7.812 -37.674 1.753 1.00 64.19 ? 1328 SO4 A O3 1 HETATM 2494 O O4 . SO4 G 3 . ? -6.383 -36.650 3.357 1.00 57.08 ? 1328 SO4 A O4 1 HETATM 2495 S S . SO4 H 3 . ? 28.719 -12.051 -32.446 1.00 69.91 ? 1329 SO4 A S 1 HETATM 2496 O O1 . SO4 H 3 . ? 30.139 -11.955 -32.116 1.00 72.64 ? 1329 SO4 A O1 1 HETATM 2497 O O2 . SO4 H 3 . ? 28.554 -12.718 -33.735 1.00 59.82 ? 1329 SO4 A O2 1 HETATM 2498 O O3 . SO4 H 3 . ? 28.041 -12.822 -31.407 1.00 54.25 ? 1329 SO4 A O3 1 HETATM 2499 O O4 . SO4 H 3 . ? 28.152 -10.706 -32.520 1.00 58.17 ? 1329 SO4 A O4 1 HETATM 2500 S S . SO4 I 3 . ? 23.865 -5.929 -34.520 1.00 73.32 ? 1330 SO4 A S 1 HETATM 2501 O O1 . SO4 I 3 . ? 25.038 -6.736 -34.851 1.00 62.78 ? 1330 SO4 A O1 1 HETATM 2502 O O2 . SO4 I 3 . ? 23.291 -5.377 -35.745 1.00 76.51 ? 1330 SO4 A O2 1 HETATM 2503 O O3 . SO4 I 3 . ? 22.865 -6.763 -33.860 1.00 56.22 ? 1330 SO4 A O3 1 HETATM 2504 O O4 . SO4 I 3 . ? 24.257 -4.837 -33.629 1.00 54.80 ? 1330 SO4 A O4 1 HETATM 2505 S S . SO4 J 3 . ? -8.530 -9.474 -8.441 1.00 38.97 ? 1331 SO4 A S 1 HETATM 2506 O O1 . SO4 J 3 . ? -7.579 -8.597 -9.117 1.00 44.44 ? 1331 SO4 A O1 1 HETATM 2507 O O2 . SO4 J 3 . ? -8.942 -10.553 -9.334 1.00 46.29 ? 1331 SO4 A O2 1 HETATM 2508 O O3 . SO4 J 3 . ? -7.915 -10.052 -7.262 1.00 28.60 ? 1331 SO4 A O3 1 HETATM 2509 O O4 . SO4 J 3 . ? -9.708 -8.699 -8.050 1.00 49.69 ? 1331 SO4 A O4 1 HETATM 2510 S S . SO4 K 3 . ? -9.843 -12.465 -13.348 1.00 41.34 ? 1332 SO4 A S 1 HETATM 2511 O O1 . SO4 K 3 . ? -9.077 -13.472 -14.071 1.00 34.87 ? 1332 SO4 A O1 1 HETATM 2512 O O2 . SO4 K 3 . ? -10.659 -11.702 -14.292 1.00 52.50 ? 1332 SO4 A O2 1 HETATM 2513 O O3 . SO4 K 3 . ? -10.703 -13.115 -12.362 1.00 44.71 ? 1332 SO4 A O3 1 HETATM 2514 O O4 . SO4 K 3 . ? -8.927 -11.553 -12.666 1.00 53.89 ? 1332 SO4 A O4 1 HETATM 2515 S S . SO4 L 3 . ? 18.827 -2.058 -37.585 1.00 63.47 ? 1333 SO4 A S 1 HETATM 2516 O O1 . SO4 L 3 . ? 19.871 -2.332 -38.571 1.00 68.72 ? 1333 SO4 A O1 1 HETATM 2517 O O2 . SO4 L 3 . ? 17.540 -2.519 -38.097 1.00 37.52 ? 1333 SO4 A O2 1 HETATM 2518 O O3 . SO4 L 3 . ? 19.141 -2.753 -36.336 1.00 55.96 ? 1333 SO4 A O3 1 HETATM 2519 O O4 . SO4 L 3 . ? 18.757 -0.618 -37.340 1.00 54.97 ? 1333 SO4 A O4 1 HETATM 2520 C C1 . GOL M 4 . ? -4.812 -10.623 -22.934 1.00 45.06 ? 1334 GOL A C1 1 HETATM 2521 O O1 . GOL M 4 . ? -3.933 -9.544 -23.156 1.00 43.76 ? 1334 GOL A O1 1 HETATM 2522 C C2 . GOL M 4 . ? -4.052 -11.911 -23.204 1.00 42.91 ? 1334 GOL A C2 1 HETATM 2523 O O2 . GOL M 4 . ? -4.373 -12.357 -24.503 1.00 43.82 ? 1334 GOL A O2 1 HETATM 2524 C C3 . GOL M 4 . ? -2.562 -11.596 -23.118 1.00 41.98 ? 1334 GOL A C3 1 HETATM 2525 O O3 . GOL M 4 . ? -1.811 -12.641 -23.685 1.00 31.03 ? 1334 GOL A O3 1 HETATM 2526 O O . HOH N 5 . ? -2.920 -19.040 -27.229 1.00 40.40 ? 2001 HOH A O 1 HETATM 2527 O O . HOH N 5 . ? -0.255 -15.592 -21.530 1.00 20.82 ? 2002 HOH A O 1 HETATM 2528 O O . HOH N 5 . ? -5.527 -11.606 -29.089 1.00 34.75 ? 2003 HOH A O 1 HETATM 2529 O O . HOH N 5 . ? 1.365 -25.162 -22.223 1.00 31.82 ? 2004 HOH A O 1 HETATM 2530 O O . HOH N 5 . ? 0.395 -26.951 -26.340 1.00 42.64 ? 2005 HOH A O 1 HETATM 2531 O O . HOH N 5 . ? -1.458 -19.687 -29.111 1.00 38.90 ? 2006 HOH A O 1 HETATM 2532 O O . HOH N 5 . ? -1.741 -25.118 -29.591 1.00 44.75 ? 2007 HOH A O 1 HETATM 2533 O O . HOH N 5 . ? 7.712 -22.814 -26.452 1.00 41.38 ? 2008 HOH A O 1 HETATM 2534 O O . HOH N 5 . ? 9.745 -23.538 -25.214 1.00 33.49 ? 2009 HOH A O 1 HETATM 2535 O O . HOH N 5 . ? 3.262 -30.137 -23.261 1.00 41.50 ? 2010 HOH A O 1 HETATM 2536 O O . HOH N 5 . ? 0.635 -27.781 -22.625 1.00 31.06 ? 2011 HOH A O 1 HETATM 2537 O O . HOH N 5 . ? 15.489 -26.957 -12.252 1.00 41.67 ? 2012 HOH A O 1 HETATM 2538 O O . HOH N 5 . ? 12.357 -22.915 -19.664 1.00 37.08 ? 2013 HOH A O 1 HETATM 2539 O O . HOH N 5 . ? 9.990 -28.793 -20.320 1.00 44.75 ? 2014 HOH A O 1 HETATM 2540 O O . HOH N 5 . ? 14.658 -26.217 -0.553 1.00 38.43 ? 2015 HOH A O 1 HETATM 2541 O O . HOH N 5 . ? 14.305 -27.986 -2.251 1.00 43.91 ? 2016 HOH A O 1 HETATM 2542 O O . HOH N 5 . ? 9.892 -29.237 -17.495 1.00 42.37 ? 2017 HOH A O 1 HETATM 2543 O O . HOH N 5 . ? 13.282 -27.505 -15.540 1.00 35.40 ? 2018 HOH A O 1 HETATM 2544 O O . HOH N 5 . ? 12.544 -24.589 -14.663 1.00 34.43 ? 2019 HOH A O 1 HETATM 2545 O O . HOH N 5 . ? 13.759 -25.442 -10.858 1.00 35.44 ? 2020 HOH A O 1 HETATM 2546 O O . HOH N 5 . ? 12.697 -23.605 -12.448 1.00 36.79 ? 2021 HOH A O 1 HETATM 2547 O O . HOH N 5 . ? 9.002 -34.444 6.731 1.00 47.67 ? 2022 HOH A O 1 HETATM 2548 O O . HOH N 5 . ? 6.400 -33.728 0.675 1.00 24.79 ? 2023 HOH A O 1 HETATM 2549 O O . HOH N 5 . ? 13.550 -32.214 -5.026 1.00 44.85 ? 2024 HOH A O 1 HETATM 2550 O O . HOH N 5 . ? 10.994 -35.887 -3.728 1.00 52.32 ? 2025 HOH A O 1 HETATM 2551 O O . HOH N 5 . ? 6.075 -34.887 -3.546 1.00 41.65 ? 2026 HOH A O 1 HETATM 2552 O O . HOH N 5 . ? 4.579 -35.923 -7.163 1.00 44.02 ? 2027 HOH A O 1 HETATM 2553 O O . HOH N 5 . ? 11.507 -24.631 -2.488 1.00 22.57 ? 2028 HOH A O 1 HETATM 2554 O O . HOH N 5 . ? 13.480 -33.337 -9.661 1.00 44.17 ? 2029 HOH A O 1 HETATM 2555 O O . HOH N 5 . ? 14.840 -29.381 -12.068 1.00 38.21 ? 2030 HOH A O 1 HETATM 2556 O O . HOH N 5 . ? 12.145 -25.865 -0.207 1.00 30.90 ? 2031 HOH A O 1 HETATM 2557 O O . HOH N 5 . ? -3.953 -14.754 -16.532 1.00 32.09 ? 2032 HOH A O 1 HETATM 2558 O O . HOH N 5 . ? -4.426 -16.856 -20.532 1.00 38.14 ? 2033 HOH A O 1 HETATM 2559 O O . HOH N 5 . ? 7.794 -31.254 6.623 1.00 25.22 ? 2034 HOH A O 1 HETATM 2560 O O . HOH N 5 . ? 12.944 -25.180 2.247 1.00 37.80 ? 2035 HOH A O 1 HETATM 2561 O O . HOH N 5 . ? 6.516 -31.021 1.533 1.00 19.75 ? 2036 HOH A O 1 HETATM 2562 O O . HOH N 5 . ? 10.938 -32.617 -5.156 1.00 35.59 ? 2037 HOH A O 1 HETATM 2563 O O . HOH N 5 . ? 8.343 -34.117 -1.177 1.00 32.53 ? 2038 HOH A O 1 HETATM 2564 O O . HOH N 5 . ? 11.228 -33.948 -1.616 1.00 37.67 ? 2039 HOH A O 1 HETATM 2565 O O . HOH N 5 . ? 3.071 -33.098 -4.181 1.00 22.22 ? 2040 HOH A O 1 HETATM 2566 O O . HOH N 5 . ? -13.443 -29.543 -8.678 1.00 40.83 ? 2041 HOH A O 1 HETATM 2567 O O . HOH N 5 . ? -1.541 -27.540 6.745 1.00 31.60 ? 2042 HOH A O 1 HETATM 2568 O O . HOH N 5 . ? 4.515 -32.971 -6.552 1.00 20.57 ? 2043 HOH A O 1 HETATM 2569 O O . HOH N 5 . ? 7.592 -33.998 -5.589 1.00 25.71 ? 2044 HOH A O 1 HETATM 2570 O O . HOH N 5 . ? -13.817 -29.788 -12.749 1.00 42.98 ? 2045 HOH A O 1 HETATM 2571 O O . HOH N 5 . ? 3.506 -31.893 -16.240 1.00 40.71 ? 2046 HOH A O 1 HETATM 2572 O O . HOH N 5 . ? -0.874 -38.934 -17.221 1.00 33.10 ? 2047 HOH A O 1 HETATM 2573 O O . HOH N 5 . ? 2.020 -36.652 -7.831 1.00 44.75 ? 2048 HOH A O 1 HETATM 2574 O O . HOH N 5 . ? 0.815 -34.916 6.534 1.00 39.35 ? 2049 HOH A O 1 HETATM 2575 O O . HOH N 5 . ? -1.872 -32.993 9.233 1.00 48.23 ? 2050 HOH A O 1 HETATM 2576 O O . HOH N 5 . ? -1.390 -29.450 9.093 1.00 36.96 ? 2051 HOH A O 1 HETATM 2577 O O . HOH N 5 . ? -5.932 -34.443 8.034 1.00 49.38 ? 2052 HOH A O 1 HETATM 2578 O O . HOH N 5 . ? -4.124 -31.507 8.998 1.00 46.37 ? 2053 HOH A O 1 HETATM 2579 O O . HOH N 5 . ? -2.248 -15.791 -19.096 1.00 33.67 ? 2054 HOH A O 1 HETATM 2580 O O . HOH N 5 . ? 6.929 -35.414 2.666 1.00 31.65 ? 2055 HOH A O 1 HETATM 2581 O O . HOH N 5 . ? 4.611 -34.801 -1.165 1.00 31.08 ? 2056 HOH A O 1 HETATM 2582 O O . HOH N 5 . ? 12.335 -31.974 5.651 1.00 42.51 ? 2057 HOH A O 1 HETATM 2583 O O . HOH N 5 . ? 10.911 -27.649 10.955 1.00 43.44 ? 2058 HOH A O 1 HETATM 2584 O O . HOH N 5 . ? 12.944 -24.662 7.660 1.00 41.02 ? 2059 HOH A O 1 HETATM 2585 O O . HOH N 5 . ? 3.548 -9.521 -21.441 1.00 13.04 ? 2060 HOH A O 1 HETATM 2586 O O . HOH N 5 . ? -3.586 -18.431 11.376 1.00 34.42 ? 2061 HOH A O 1 HETATM 2587 O O . HOH N 5 . ? 1.614 -15.902 8.546 1.00 46.90 ? 2062 HOH A O 1 HETATM 2588 O O . HOH N 5 . ? -2.277 -13.315 -20.780 1.00 39.42 ? 2063 HOH A O 1 HETATM 2589 O O . HOH N 5 . ? -2.986 -12.001 -17.229 1.00 31.43 ? 2064 HOH A O 1 HETATM 2590 O O . HOH N 5 . ? -2.309 -10.887 2.596 1.00 27.12 ? 2065 HOH A O 1 HETATM 2591 O O . HOH N 5 . ? -0.471 -16.053 -13.462 1.00 12.07 ? 2066 HOH A O 1 HETATM 2592 O O . HOH N 5 . ? -5.277 -7.388 4.552 1.00 46.87 ? 2067 HOH A O 1 HETATM 2593 O O . HOH N 5 . ? -9.679 -11.462 -4.089 1.00 27.81 ? 2068 HOH A O 1 HETATM 2594 O O . HOH N 5 . ? -3.144 -8.430 3.389 1.00 40.33 ? 2069 HOH A O 1 HETATM 2595 O O . HOH N 5 . ? -2.048 -12.077 -13.581 1.00 18.20 ? 2070 HOH A O 1 HETATM 2596 O O . HOH N 5 . ? 4.292 -15.036 -10.062 1.00 10.59 ? 2071 HOH A O 1 HETATM 2597 O O . HOH N 5 . ? -11.193 -12.621 -6.571 1.00 41.85 ? 2072 HOH A O 1 HETATM 2598 O O . HOH N 5 . ? -6.106 -14.705 -19.867 1.00 41.10 ? 2073 HOH A O 1 HETATM 2599 O O . HOH N 5 . ? -17.187 -13.726 -12.335 1.00 50.16 ? 2074 HOH A O 1 HETATM 2600 O O . HOH N 5 . ? -3.737 -13.985 -12.923 1.00 20.45 ? 2075 HOH A O 1 HETATM 2601 O O . HOH N 5 . ? -1.296 -16.557 -6.922 1.00 28.86 ? 2076 HOH A O 1 HETATM 2602 O O . HOH N 5 . ? 1.874 -15.027 -6.858 1.00 16.50 ? 2077 HOH A O 1 HETATM 2603 O O . HOH N 5 . ? 2.223 -8.535 3.243 1.00 51.06 ? 2078 HOH A O 1 HETATM 2604 O O . HOH N 5 . ? 4.450 -11.193 0.725 1.00 25.22 ? 2079 HOH A O 1 HETATM 2605 O O . HOH N 5 . ? 2.773 -7.373 0.144 1.00 47.49 ? 2080 HOH A O 1 HETATM 2606 O O . HOH N 5 . ? 15.176 -21.990 2.109 1.00 32.19 ? 2081 HOH A O 1 HETATM 2607 O O . HOH N 5 . ? 13.092 -22.128 6.010 1.00 42.74 ? 2082 HOH A O 1 HETATM 2608 O O . HOH N 5 . ? 14.794 -28.702 -4.775 1.00 40.13 ? 2083 HOH A O 1 HETATM 2609 O O . HOH N 5 . ? 16.413 -27.525 -6.348 1.00 45.88 ? 2084 HOH A O 1 HETATM 2610 O O . HOH N 5 . ? -11.445 -31.764 -1.256 1.00 36.88 ? 2085 HOH A O 1 HETATM 2611 O O . HOH N 5 . ? -12.476 -30.411 -5.920 1.00 40.32 ? 2086 HOH A O 1 HETATM 2612 O O . HOH N 5 . ? -3.717 -27.574 4.759 1.00 20.04 ? 2087 HOH A O 1 HETATM 2613 O O . HOH N 5 . ? 9.956 -8.588 1.469 1.00 39.97 ? 2088 HOH A O 1 HETATM 2614 O O . HOH N 5 . ? 14.041 -16.976 4.931 1.00 36.88 ? 2089 HOH A O 1 HETATM 2615 O O . HOH N 5 . ? 4.249 -16.062 7.559 1.00 36.72 ? 2090 HOH A O 1 HETATM 2616 O O . HOH N 5 . ? -11.800 -29.070 -10.862 1.00 30.13 ? 2091 HOH A O 1 HETATM 2617 O O . HOH N 5 . ? -8.350 -40.643 -12.581 1.00 40.61 ? 2092 HOH A O 1 HETATM 2618 O O . HOH N 5 . ? -4.596 -29.950 -11.872 1.00 32.33 ? 2093 HOH A O 1 HETATM 2619 O O . HOH N 5 . ? -1.034 -37.506 -10.564 1.00 36.92 ? 2094 HOH A O 1 HETATM 2620 O O . HOH N 5 . ? -3.061 -38.751 -7.706 1.00 40.82 ? 2095 HOH A O 1 HETATM 2621 O O . HOH N 5 . ? -2.073 -35.753 -7.522 1.00 27.03 ? 2096 HOH A O 1 HETATM 2622 O O . HOH N 5 . ? -0.519 -38.222 -14.721 1.00 41.08 ? 2097 HOH A O 1 HETATM 2623 O O . HOH N 5 . ? -0.545 -34.846 -15.974 1.00 33.47 ? 2098 HOH A O 1 HETATM 2624 O O . HOH N 5 . ? 0.996 -36.441 -12.228 1.00 40.96 ? 2099 HOH A O 1 HETATM 2625 O O . HOH N 5 . ? -2.140 -40.097 -13.853 1.00 42.33 ? 2100 HOH A O 1 HETATM 2626 O O . HOH N 5 . ? -3.825 -31.840 -18.558 1.00 25.23 ? 2101 HOH A O 1 HETATM 2627 O O . HOH N 5 . ? -3.407 -28.294 -16.591 1.00 23.03 ? 2102 HOH A O 1 HETATM 2628 O O . HOH N 5 . ? 4.695 -37.809 -12.196 1.00 49.24 ? 2103 HOH A O 1 HETATM 2629 O O . HOH N 5 . ? 1.894 -1.831 -9.036 1.00 35.65 ? 2104 HOH A O 1 HETATM 2630 O O . HOH N 5 . ? 0.895 -34.941 -6.285 1.00 26.39 ? 2105 HOH A O 1 HETATM 2631 O O . HOH N 5 . ? 0.006 -34.411 -2.846 1.00 28.66 ? 2106 HOH A O 1 HETATM 2632 O O . HOH N 5 . ? -10.726 -3.762 0.368 1.00 46.92 ? 2107 HOH A O 1 HETATM 2633 O O . HOH N 5 . ? -0.102 -8.496 -0.538 1.00 35.31 ? 2108 HOH A O 1 HETATM 2634 O O . HOH N 5 . ? 2.046 -6.265 -2.917 1.00 42.70 ? 2109 HOH A O 1 HETATM 2635 O O . HOH N 5 . ? 3.977 -7.136 -5.272 1.00 28.52 ? 2110 HOH A O 1 HETATM 2636 O O . HOH N 5 . ? -0.887 -35.986 -0.073 1.00 31.75 ? 2111 HOH A O 1 HETATM 2637 O O . HOH N 5 . ? -1.117 -35.492 4.037 1.00 30.83 ? 2112 HOH A O 1 HETATM 2638 O O . HOH N 5 . ? 10.353 -3.094 -7.614 1.00 41.82 ? 2113 HOH A O 1 HETATM 2639 O O . HOH N 5 . ? 3.846 -3.622 -6.075 1.00 33.14 ? 2114 HOH A O 1 HETATM 2640 O O . HOH N 5 . ? 5.533 -8.705 0.149 1.00 31.33 ? 2115 HOH A O 1 HETATM 2641 O O . HOH N 5 . ? 1.773 -27.580 7.368 1.00 28.08 ? 2116 HOH A O 1 HETATM 2642 O O . HOH N 5 . ? 5.251 -31.318 7.667 1.00 33.37 ? 2117 HOH A O 1 HETATM 2643 O O . HOH N 5 . ? 1.258 -31.617 9.178 1.00 41.74 ? 2118 HOH A O 1 HETATM 2644 O O . HOH N 5 . ? 3.944 -29.412 8.792 1.00 38.82 ? 2119 HOH A O 1 HETATM 2645 O O . HOH N 5 . ? -6.727 -32.598 6.570 1.00 43.09 ? 2120 HOH A O 1 HETATM 2646 O O . HOH N 5 . ? 4.308 -6.587 -1.906 1.00 45.16 ? 2121 HOH A O 1 HETATM 2647 O O . HOH N 5 . ? 3.815 -34.756 7.186 1.00 43.44 ? 2122 HOH A O 1 HETATM 2648 O O . HOH N 5 . ? 6.876 -34.167 5.172 1.00 35.99 ? 2123 HOH A O 1 HETATM 2649 O O . HOH N 5 . ? 0.000 -39.221 1.725 1.00 50.38 ? 2124 HOH A O 1 HETATM 2650 O O . HOH N 5 . ? 4.555 -38.356 1.070 1.00 52.43 ? 2125 HOH A O 1 HETATM 2651 O O . HOH N 5 . ? 1.991 -35.503 -1.513 1.00 36.97 ? 2126 HOH A O 1 HETATM 2652 O O . HOH N 5 . ? 25.426 -9.083 -12.369 1.00 29.92 ? 2127 HOH A O 1 HETATM 2653 O O . HOH N 5 . ? 23.599 -5.715 -21.786 1.00 40.72 ? 2128 HOH A O 1 HETATM 2654 O O . HOH N 5 . ? 19.379 -2.187 -10.316 1.00 38.98 ? 2129 HOH A O 1 HETATM 2655 O O . HOH N 5 . ? 11.301 -2.910 -10.028 1.00 37.27 ? 2130 HOH A O 1 HETATM 2656 O O . HOH N 5 . ? 9.273 -23.349 9.782 1.00 41.40 ? 2131 HOH A O 1 HETATM 2657 O O . HOH N 5 . ? 10.709 -30.198 7.762 1.00 36.83 ? 2132 HOH A O 1 HETATM 2658 O O . HOH N 5 . ? 10.641 -25.846 8.632 1.00 31.80 ? 2133 HOH A O 1 HETATM 2659 O O . HOH N 5 . ? 6.626 -19.720 4.323 1.00 25.40 ? 2134 HOH A O 1 HETATM 2660 O O . HOH N 5 . ? 17.593 -15.796 -39.744 1.00 48.19 ? 2135 HOH A O 1 HETATM 2661 O O . HOH N 5 . ? 2.308 -25.163 8.430 1.00 29.80 ? 2136 HOH A O 1 HETATM 2662 O O . HOH N 5 . ? 8.988 -21.208 8.114 1.00 44.60 ? 2137 HOH A O 1 HETATM 2663 O O . HOH N 5 . ? 23.470 -17.179 -16.041 1.00 46.56 ? 2138 HOH A O 1 HETATM 2664 O O . HOH N 5 . ? -0.712 -22.129 8.439 1.00 25.17 ? 2139 HOH A O 1 HETATM 2665 O O . HOH N 5 . ? -1.132 -18.604 9.015 1.00 38.74 ? 2140 HOH A O 1 HETATM 2666 O O . HOH N 5 . ? -5.666 -18.879 2.373 1.00 14.94 ? 2141 HOH A O 1 HETATM 2667 O O . HOH N 5 . ? -3.852 -24.542 6.135 1.00 27.51 ? 2142 HOH A O 1 HETATM 2668 O O . HOH N 5 . ? -4.253 -16.051 8.379 1.00 39.81 ? 2143 HOH A O 1 HETATM 2669 O O . HOH N 5 . ? 23.134 -16.543 -13.382 1.00 46.81 ? 2144 HOH A O 1 HETATM 2670 O O . HOH N 5 . ? 24.912 -12.966 -12.676 1.00 32.17 ? 2145 HOH A O 1 HETATM 2671 O O . HOH N 5 . ? -2.857 -12.465 4.877 1.00 28.69 ? 2146 HOH A O 1 HETATM 2672 O O . HOH N 5 . ? -4.796 -9.441 6.735 1.00 41.36 ? 2147 HOH A O 1 HETATM 2673 O O . HOH N 5 . ? 18.552 -7.625 -34.065 1.00 41.15 ? 2148 HOH A O 1 HETATM 2674 O O . HOH N 5 . ? -7.235 -12.744 -4.482 1.00 18.36 ? 2149 HOH A O 1 HETATM 2675 O O . HOH N 5 . ? -11.289 -14.077 -4.507 1.00 37.65 ? 2150 HOH A O 1 HETATM 2676 O O . HOH N 5 . ? -8.496 -13.353 -6.914 1.00 18.76 ? 2151 HOH A O 1 HETATM 2677 O O . HOH N 5 . ? -7.666 -12.559 -10.266 1.00 27.40 ? 2152 HOH A O 1 HETATM 2678 O O . HOH N 5 . ? -14.840 -17.251 -8.917 1.00 35.30 ? 2153 HOH A O 1 HETATM 2679 O O . HOH N 5 . ? -6.612 -14.558 -16.917 1.00 37.29 ? 2154 HOH A O 1 HETATM 2680 O O . HOH N 5 . ? -16.575 -15.813 -10.878 1.00 46.39 ? 2155 HOH A O 1 HETATM 2681 O O . HOH N 5 . ? -16.960 -18.238 -12.096 1.00 47.05 ? 2156 HOH A O 1 HETATM 2682 O O . HOH N 5 . ? 0.743 4.142 -16.897 1.00 39.10 ? 2157 HOH A O 1 HETATM 2683 O O . HOH N 5 . ? 2.712 2.536 -13.991 1.00 33.44 ? 2158 HOH A O 1 HETATM 2684 O O . HOH N 5 . ? 0.592 0.221 -10.188 1.00 48.57 ? 2159 HOH A O 1 HETATM 2685 O O . HOH N 5 . ? 9.914 5.442 -16.006 1.00 46.46 ? 2160 HOH A O 1 HETATM 2686 O O . HOH N 5 . ? -2.420 -0.191 -12.468 1.00 48.25 ? 2161 HOH A O 1 HETATM 2687 O O . HOH N 5 . ? -1.246 2.986 -15.441 1.00 47.26 ? 2162 HOH A O 1 HETATM 2688 O O . HOH N 5 . ? -5.554 -1.270 -19.321 1.00 43.60 ? 2163 HOH A O 1 HETATM 2689 O O . HOH N 5 . ? -3.074 -16.214 -14.393 1.00 22.42 ? 2164 HOH A O 1 HETATM 2690 O O . HOH N 5 . ? 6.465 5.878 -30.560 1.00 32.04 ? 2165 HOH A O 1 HETATM 2691 O O . HOH N 5 . ? 2.993 4.502 -32.131 1.00 37.08 ? 2166 HOH A O 1 HETATM 2692 O O . HOH N 5 . ? 13.076 6.016 -33.410 1.00 50.50 ? 2167 HOH A O 1 HETATM 2693 O O . HOH N 5 . ? 5.177 -15.600 -51.674 1.00 39.64 ? 2168 HOH A O 1 HETATM 2694 O O . HOH N 5 . ? 6.628 -11.233 -54.487 1.00 50.73 ? 2169 HOH A O 1 HETATM 2695 O O . HOH N 5 . ? -13.380 -21.588 -11.124 1.00 33.58 ? 2170 HOH A O 1 HETATM 2696 O O . HOH N 5 . ? 12.142 -1.468 -47.950 1.00 50.85 ? 2171 HOH A O 1 HETATM 2697 O O . HOH N 5 . ? -2.134 -5.195 -47.622 1.00 40.83 ? 2172 HOH A O 1 HETATM 2698 O O . HOH N 5 . ? -13.364 -23.830 -4.727 1.00 36.90 ? 2173 HOH A O 1 HETATM 2699 O O . HOH N 5 . ? 0.672 5.035 -28.916 1.00 34.10 ? 2174 HOH A O 1 HETATM 2700 O O . HOH N 5 . ? 1.969 -10.879 1.552 1.00 28.93 ? 2175 HOH A O 1 HETATM 2701 O O . HOH N 5 . ? -0.305 -11.850 5.467 1.00 42.80 ? 2176 HOH A O 1 HETATM 2702 O O . HOH N 5 . ? 5.460 -11.935 3.234 1.00 43.23 ? 2177 HOH A O 1 HETATM 2703 O O . HOH N 5 . ? -6.529 -14.315 -40.377 1.00 36.84 ? 2178 HOH A O 1 HETATM 2704 O O . HOH N 5 . ? -10.717 -7.576 -42.951 1.00 41.66 ? 2179 HOH A O 1 HETATM 2705 O O . HOH N 5 . ? 9.282 -19.638 3.393 1.00 19.65 ? 2180 HOH A O 1 HETATM 2706 O O . HOH N 5 . ? 12.795 -22.213 3.503 1.00 22.94 ? 2181 HOH A O 1 HETATM 2707 O O . HOH N 5 . ? -7.242 -8.415 -46.443 1.00 41.86 ? 2182 HOH A O 1 HETATM 2708 O O . HOH N 5 . ? -5.197 -8.017 -48.480 1.00 36.46 ? 2183 HOH A O 1 HETATM 2709 O O . HOH N 5 . ? -1.123 -8.264 -50.185 1.00 38.93 ? 2184 HOH A O 1 HETATM 2710 O O . HOH N 5 . ? 15.469 -25.920 -3.209 1.00 31.90 ? 2185 HOH A O 1 HETATM 2711 O O . HOH N 5 . ? 1.374 -14.042 -52.831 1.00 44.85 ? 2186 HOH A O 1 HETATM 2712 O O . HOH N 5 . ? 3.777 -18.064 -51.850 1.00 39.25 ? 2187 HOH A O 1 HETATM 2713 O O . HOH N 5 . ? 15.776 -24.834 -9.673 1.00 30.81 ? 2188 HOH A O 1 HETATM 2714 O O . HOH N 5 . ? 20.018 -19.158 -10.859 1.00 41.20 ? 2189 HOH A O 1 HETATM 2715 O O . HOH N 5 . ? 18.300 -18.441 -13.068 1.00 22.22 ? 2190 HOH A O 1 HETATM 2716 O O . HOH N 5 . ? 21.526 -19.309 -7.811 1.00 35.52 ? 2191 HOH A O 1 HETATM 2717 O O . HOH N 5 . ? 18.025 -25.963 -7.503 1.00 49.62 ? 2192 HOH A O 1 HETATM 2718 O O . HOH N 5 . ? 18.663 -23.819 -6.025 1.00 28.87 ? 2193 HOH A O 1 HETATM 2719 O O . HOH N 5 . ? -6.960 -16.655 -50.350 1.00 48.49 ? 2194 HOH A O 1 HETATM 2720 O O . HOH N 5 . ? -14.000 -24.383 -48.337 1.00 43.77 ? 2195 HOH A O 1 HETATM 2721 O O . HOH N 5 . ? -15.782 -23.508 -46.504 1.00 51.34 ? 2196 HOH A O 1 HETATM 2722 O O . HOH N 5 . ? 3.817 -30.498 -50.733 1.00 45.75 ? 2197 HOH A O 1 HETATM 2723 O O . HOH N 5 . ? 5.351 -13.240 -1.156 1.00 17.57 ? 2198 HOH A O 1 HETATM 2724 O O . HOH N 5 . ? 8.622 -11.637 1.164 1.00 31.10 ? 2199 HOH A O 1 HETATM 2725 O O . HOH N 5 . ? 12.587 -15.353 5.651 1.00 34.65 ? 2200 HOH A O 1 HETATM 2726 O O . HOH N 5 . ? 5.747 -14.007 4.850 1.00 37.75 ? 2201 HOH A O 1 HETATM 2727 O O . HOH N 5 . ? 5.528 -17.216 5.524 1.00 36.86 ? 2202 HOH A O 1 HETATM 2728 O O . HOH N 5 . ? 17.071 -6.821 -40.853 1.00 38.77 ? 2203 HOH A O 1 HETATM 2729 O O . HOH N 5 . ? 14.647 -6.837 -41.861 1.00 32.84 ? 2204 HOH A O 1 HETATM 2730 O O . HOH N 5 . ? 14.524 -8.701 -43.779 1.00 37.70 ? 2205 HOH A O 1 HETATM 2731 O O . HOH N 5 . ? 15.782 -14.012 -40.711 1.00 38.75 ? 2206 HOH A O 1 HETATM 2732 O O . HOH N 5 . ? 10.245 -25.009 -42.141 1.00 43.02 ? 2207 HOH A O 1 HETATM 2733 O O . HOH N 5 . ? -10.234 -28.856 -16.381 1.00 32.32 ? 2208 HOH A O 1 HETATM 2734 O O . HOH N 5 . ? -3.420 -28.290 -13.771 1.00 21.09 ? 2209 HOH A O 1 HETATM 2735 O O . HOH N 5 . ? -8.214 -10.194 -25.069 1.00 54.78 ? 2210 HOH A O 1 HETATM 2736 O O . HOH N 5 . ? -3.526 -31.350 -25.244 1.00 33.29 ? 2211 HOH A O 1 HETATM 2737 O O . HOH N 5 . ? -2.117 -27.289 -25.140 1.00 39.08 ? 2212 HOH A O 1 HETATM 2738 O O . HOH N 5 . ? 1.942 -33.347 -14.077 1.00 33.86 ? 2213 HOH A O 1 HETATM 2739 O O . HOH N 5 . ? 7.031 -12.797 -11.338 1.00 11.26 ? 2214 HOH A O 1 HETATM 2740 O O . HOH N 5 . ? 8.531 -9.031 -13.641 1.00 12.64 ? 2215 HOH A O 1 HETATM 2741 O O . HOH N 5 . ? 6.854 -10.074 -11.638 1.00 12.10 ? 2216 HOH A O 1 HETATM 2742 O O . HOH N 5 . ? -2.404 -6.023 -8.035 1.00 31.40 ? 2217 HOH A O 1 HETATM 2743 O O . HOH N 5 . ? 2.918 -2.657 -11.649 1.00 19.43 ? 2218 HOH A O 1 HETATM 2744 O O . HOH N 5 . ? -4.229 -4.005 -9.515 1.00 45.56 ? 2219 HOH A O 1 HETATM 2745 O O . HOH N 5 . ? -5.574 -7.671 -10.446 1.00 41.34 ? 2220 HOH A O 1 HETATM 2746 O O . HOH N 5 . ? -1.551 -7.876 -5.547 1.00 27.21 ? 2221 HOH A O 1 HETATM 2747 O O . HOH N 5 . ? -10.344 -9.325 -5.345 1.00 35.60 ? 2222 HOH A O 1 HETATM 2748 O O . HOH N 5 . ? -10.759 -8.767 -0.745 1.00 32.76 ? 2223 HOH A O 1 HETATM 2749 O O . HOH N 5 . ? -11.686 -6.586 -3.444 1.00 39.22 ? 2224 HOH A O 1 HETATM 2750 O O . HOH N 5 . ? -9.190 -6.395 -6.293 1.00 43.89 ? 2225 HOH A O 1 HETATM 2751 O O . HOH N 5 . ? -10.496 -5.627 -1.206 1.00 43.99 ? 2226 HOH A O 1 HETATM 2752 O O . HOH N 5 . ? -5.919 -5.422 -0.521 1.00 39.33 ? 2227 HOH A O 1 HETATM 2753 O O . HOH N 5 . ? -0.461 -11.075 0.540 1.00 24.82 ? 2228 HOH A O 1 HETATM 2754 O O . HOH N 5 . ? -8.651 -7.694 3.602 1.00 31.84 ? 2229 HOH A O 1 HETATM 2755 O O . HOH N 5 . ? 1.351 -7.454 -5.964 1.00 34.32 ? 2230 HOH A O 1 HETATM 2756 O O . HOH N 5 . ? -0.001 -7.939 -2.993 1.00 33.66 ? 2231 HOH A O 1 HETATM 2757 O O . HOH N 5 . ? 9.389 -5.428 -6.609 1.00 27.23 ? 2232 HOH A O 1 HETATM 2758 O O . HOH N 5 . ? 5.612 -5.451 -6.170 1.00 30.10 ? 2233 HOH A O 1 HETATM 2759 O O . HOH N 5 . ? 7.700 -8.963 -1.375 1.00 24.28 ? 2234 HOH A O 1 HETATM 2760 O O . HOH N 5 . ? 16.641 -6.342 -6.127 1.00 22.27 ? 2235 HOH A O 1 HETATM 2761 O O . HOH N 5 . ? 14.260 -4.393 -4.157 1.00 33.39 ? 2236 HOH A O 1 HETATM 2762 O O . HOH N 5 . ? 11.758 -3.969 -4.366 1.00 39.19 ? 2237 HOH A O 1 HETATM 2763 O O . HOH N 5 . ? 6.521 -5.960 -3.735 1.00 40.72 ? 2238 HOH A O 1 HETATM 2764 O O . HOH N 5 . ? 10.307 -5.839 0.913 1.00 47.14 ? 2239 HOH A O 1 HETATM 2765 O O . HOH N 5 . ? 16.479 -10.784 1.953 1.00 17.24 ? 2240 HOH A O 1 HETATM 2766 O O . HOH N 5 . ? 15.282 -13.385 2.055 1.00 28.67 ? 2241 HOH A O 1 HETATM 2767 O O . HOH N 5 . ? 7.826 -10.812 3.335 1.00 39.64 ? 2242 HOH A O 1 HETATM 2768 O O . HOH N 5 . ? 15.114 -14.500 4.438 1.00 34.41 ? 2243 HOH A O 1 HETATM 2769 O O . HOH N 5 . ? 18.765 -8.417 -5.825 1.00 32.29 ? 2244 HOH A O 1 HETATM 2770 O O . HOH N 5 . ? 19.884 -6.330 -4.972 1.00 28.45 ? 2245 HOH A O 1 HETATM 2771 O O . HOH N 5 . ? 14.858 -3.080 -0.761 1.00 37.15 ? 2246 HOH A O 1 HETATM 2772 O O . HOH N 5 . ? 21.158 -14.610 -7.704 1.00 19.47 ? 2247 HOH A O 1 HETATM 2773 O O . HOH N 5 . ? 19.016 -6.916 -8.269 1.00 28.31 ? 2248 HOH A O 1 HETATM 2774 O O . HOH N 5 . ? 20.653 -13.781 -10.183 1.00 17.82 ? 2249 HOH A O 1 HETATM 2775 O O . HOH N 5 . ? 23.287 -5.004 -10.598 1.00 41.11 ? 2250 HOH A O 1 HETATM 2776 O O . HOH N 5 . ? 21.054 -4.805 -8.177 1.00 44.75 ? 2251 HOH A O 1 HETATM 2777 O O . HOH N 5 . ? 25.299 -6.963 -10.676 1.00 35.90 ? 2252 HOH A O 1 HETATM 2778 O O . HOH N 5 . ? 24.418 -7.742 -7.827 1.00 37.29 ? 2253 HOH A O 1 HETATM 2779 O O . HOH N 5 . ? 23.936 -10.391 -16.546 1.00 23.01 ? 2254 HOH A O 1 HETATM 2780 O O . HOH N 5 . ? 24.738 -6.669 -19.627 1.00 39.45 ? 2255 HOH A O 1 HETATM 2781 O O . HOH N 5 . ? 19.786 -3.756 -18.363 1.00 36.92 ? 2256 HOH A O 1 HETATM 2782 O O . HOH N 5 . ? 19.317 -4.290 -11.783 1.00 29.08 ? 2257 HOH A O 1 HETATM 2783 O O . HOH N 5 . ? 13.892 -2.508 -9.866 1.00 27.80 ? 2258 HOH A O 1 HETATM 2784 O O . HOH N 5 . ? 17.503 -2.378 -8.791 1.00 39.22 ? 2259 HOH A O 1 HETATM 2785 O O . HOH N 5 . ? 18.297 -16.991 -20.685 1.00 23.05 ? 2260 HOH A O 1 HETATM 2786 O O . HOH N 5 . ? 17.624 -21.680 -31.195 1.00 46.36 ? 2261 HOH A O 1 HETATM 2787 O O . HOH N 5 . ? 15.016 -17.461 -28.026 1.00 25.92 ? 2262 HOH A O 1 HETATM 2788 O O . HOH N 5 . ? 9.780 -23.289 -28.246 1.00 43.05 ? 2263 HOH A O 1 HETATM 2789 O O . HOH N 5 . ? 17.033 -26.893 -24.755 1.00 50.05 ? 2264 HOH A O 1 HETATM 2790 O O . HOH N 5 . ? 16.696 -14.853 -35.354 1.00 38.48 ? 2265 HOH A O 1 HETATM 2791 O O . HOH N 5 . ? 15.968 -17.689 -38.598 1.00 45.16 ? 2266 HOH A O 1 HETATM 2792 O O . HOH N 5 . ? 20.038 -24.436 -23.053 1.00 42.50 ? 2267 HOH A O 1 HETATM 2793 O O . HOH N 5 . ? 19.098 -20.472 -15.140 1.00 40.83 ? 2268 HOH A O 1 HETATM 2794 O O . HOH N 5 . ? 14.301 -22.901 -17.568 1.00 35.28 ? 2269 HOH A O 1 HETATM 2795 O O . HOH N 5 . ? 21.517 -18.931 -17.932 1.00 38.63 ? 2270 HOH A O 1 HETATM 2796 O O . HOH N 5 . ? 20.707 -16.815 -12.416 1.00 32.03 ? 2271 HOH A O 1 HETATM 2797 O O . HOH N 5 . ? 23.526 -10.570 -13.567 1.00 23.91 ? 2272 HOH A O 1 HETATM 2798 O O . HOH N 5 . ? 25.055 -15.051 -17.550 1.00 40.22 ? 2273 HOH A O 1 HETATM 2799 O O . HOH N 5 . ? 27.485 -17.650 -20.822 1.00 48.28 ? 2274 HOH A O 1 HETATM 2800 O O . HOH N 5 . ? 26.728 -12.719 -27.371 1.00 41.11 ? 2275 HOH A O 1 HETATM 2801 O O . HOH N 5 . ? 21.215 -9.306 -32.275 1.00 28.47 ? 2276 HOH A O 1 HETATM 2802 O O . HOH N 5 . ? 21.979 -15.950 -34.382 1.00 38.12 ? 2277 HOH A O 1 HETATM 2803 O O . HOH N 5 . ? 23.571 -11.565 -35.427 1.00 44.01 ? 2278 HOH A O 1 HETATM 2804 O O . HOH N 5 . ? 26.999 -11.079 -29.331 1.00 43.46 ? 2279 HOH A O 1 HETATM 2805 O O . HOH N 5 . ? 18.456 -6.267 -31.491 1.00 33.51 ? 2280 HOH A O 1 HETATM 2806 O O . HOH N 5 . ? 16.073 -0.194 -29.709 1.00 23.23 ? 2281 HOH A O 1 HETATM 2807 O O . HOH N 5 . ? 7.623 4.419 -22.124 1.00 22.28 ? 2282 HOH A O 1 HETATM 2808 O O . HOH N 5 . ? 7.362 2.686 -18.582 1.00 21.51 ? 2283 HOH A O 1 HETATM 2809 O O . HOH N 5 . ? 4.904 4.001 -17.755 1.00 28.59 ? 2284 HOH A O 1 HETATM 2810 O O . HOH N 5 . ? 1.619 4.631 -19.468 1.00 27.13 ? 2285 HOH A O 1 HETATM 2811 O O . HOH N 5 . ? 0.644 -3.414 -20.288 1.00 14.95 ? 2286 HOH A O 1 HETATM 2812 O O . HOH N 5 . ? 2.790 2.454 -16.736 1.00 20.77 ? 2287 HOH A O 1 HETATM 2813 O O . HOH N 5 . ? 1.603 -0.147 -13.480 1.00 30.59 ? 2288 HOH A O 1 HETATM 2814 O O . HOH N 5 . ? 8.237 3.923 -14.010 1.00 31.47 ? 2289 HOH A O 1 HETATM 2815 O O . HOH N 5 . ? 4.971 -0.892 -12.164 1.00 27.55 ? 2290 HOH A O 1 HETATM 2816 O O . HOH N 5 . ? 8.299 0.454 -12.191 1.00 28.30 ? 2291 HOH A O 1 HETATM 2817 O O . HOH N 5 . ? -1.077 0.458 -14.809 1.00 37.11 ? 2292 HOH A O 1 HETATM 2818 O O . HOH N 5 . ? -3.970 -3.546 -19.832 1.00 27.81 ? 2293 HOH A O 1 HETATM 2819 O O . HOH N 5 . ? -5.460 -3.898 -16.357 1.00 38.80 ? 2294 HOH A O 1 HETATM 2820 O O . HOH N 5 . ? -4.778 -10.056 -17.192 1.00 41.68 ? 2295 HOH A O 1 HETATM 2821 O O . HOH N 5 . ? -4.437 -11.866 -20.203 1.00 47.83 ? 2296 HOH A O 1 HETATM 2822 O O . HOH N 5 . ? -5.755 -5.869 -19.083 1.00 43.35 ? 2297 HOH A O 1 HETATM 2823 O O . HOH N 5 . ? -2.928 -3.282 -22.316 1.00 19.83 ? 2298 HOH A O 1 HETATM 2824 O O . HOH N 5 . ? 8.740 1.340 -31.127 1.00 21.71 ? 2299 HOH A O 1 HETATM 2825 O O . HOH N 5 . ? 5.591 4.883 -28.164 1.00 27.85 ? 2300 HOH A O 1 HETATM 2826 O O . HOH N 5 . ? 3.623 2.670 -39.302 1.00 28.86 ? 2301 HOH A O 1 HETATM 2827 O O . HOH N 5 . ? 4.836 4.189 -36.341 1.00 30.76 ? 2302 HOH A O 1 HETATM 2828 O O . HOH N 5 . ? 5.258 4.221 -33.667 1.00 31.93 ? 2303 HOH A O 1 HETATM 2829 O O . HOH N 5 . ? 10.910 4.620 -34.042 1.00 42.49 ? 2304 HOH A O 1 HETATM 2830 O O . HOH N 5 . ? 8.564 -2.864 -40.562 1.00 21.36 ? 2305 HOH A O 1 HETATM 2831 O O . HOH N 5 . ? 3.287 -1.262 -41.831 1.00 29.45 ? 2306 HOH A O 1 HETATM 2832 O O . HOH N 5 . ? 9.436 -5.132 -45.541 1.00 33.64 ? 2307 HOH A O 1 HETATM 2833 O O . HOH N 5 . ? 3.267 -7.009 -49.101 1.00 26.45 ? 2308 HOH A O 1 HETATM 2834 O O . HOH N 5 . ? 9.886 -8.280 -46.473 1.00 32.07 ? 2309 HOH A O 1 HETATM 2835 O O . HOH N 5 . ? 10.516 -7.821 -51.431 1.00 40.71 ? 2310 HOH A O 1 HETATM 2836 O O . HOH N 5 . ? 10.600 -11.441 -50.877 1.00 40.40 ? 2311 HOH A O 1 HETATM 2837 O O . HOH N 5 . ? 3.413 -9.564 -50.290 1.00 31.97 ? 2312 HOH A O 1 HETATM 2838 O O . HOH N 5 . ? 6.204 -12.279 -52.087 1.00 34.70 ? 2313 HOH A O 1 HETATM 2839 O O . HOH N 5 . ? 11.720 -6.286 -49.341 1.00 44.66 ? 2314 HOH A O 1 HETATM 2840 O O . HOH N 5 . ? 10.412 0.082 -49.154 1.00 35.85 ? 2315 HOH A O 1 HETATM 2841 O O . HOH N 5 . ? 0.204 -3.677 -48.460 1.00 39.51 ? 2316 HOH A O 1 HETATM 2842 O O . HOH N 5 . ? 0.900 -0.581 -48.458 1.00 29.97 ? 2317 HOH A O 1 HETATM 2843 O O . HOH N 5 . ? -2.888 -1.143 -39.562 1.00 25.82 ? 2318 HOH A O 1 HETATM 2844 O O . HOH N 5 . ? 0.429 5.293 -33.067 1.00 41.52 ? 2319 HOH A O 1 HETATM 2845 O O . HOH N 5 . ? -2.170 0.047 -35.746 1.00 34.18 ? 2320 HOH A O 1 HETATM 2846 O O . HOH N 5 . ? 0.465 2.676 -30.300 1.00 23.51 ? 2321 HOH A O 1 HETATM 2847 O O . HOH N 5 . ? 4.473 -21.653 -32.346 1.00 42.15 ? 2322 HOH A O 1 HETATM 2848 O O . HOH N 5 . ? 1.265 -23.159 -32.543 1.00 42.30 ? 2323 HOH A O 1 HETATM 2849 O O . HOH N 5 . ? -4.934 -9.133 -31.168 1.00 32.10 ? 2324 HOH A O 1 HETATM 2850 O O . HOH N 5 . ? -9.717 -6.690 -34.190 1.00 32.66 ? 2325 HOH A O 1 HETATM 2851 O O . HOH N 5 . ? -9.452 -5.934 -36.895 1.00 30.70 ? 2326 HOH A O 1 HETATM 2852 O O . HOH N 5 . ? -7.698 -12.623 -38.973 1.00 32.43 ? 2327 HOH A O 1 HETATM 2853 O O . HOH N 5 . ? -12.187 -10.713 -39.334 1.00 45.16 ? 2328 HOH A O 1 HETATM 2854 O O . HOH N 5 . ? -11.091 -8.673 -40.558 1.00 43.26 ? 2329 HOH A O 1 HETATM 2855 O O . HOH N 5 . ? -12.191 -6.303 -37.811 1.00 43.11 ? 2330 HOH A O 1 HETATM 2856 O O . HOH N 5 . ? -8.228 -7.106 -43.813 1.00 31.64 ? 2331 HOH A O 1 HETATM 2857 O O . HOH N 5 . ? -8.686 -3.290 -36.661 1.00 41.77 ? 2332 HOH A O 1 HETATM 2858 O O . HOH N 5 . ? -6.344 -3.295 -40.925 1.00 38.03 ? 2333 HOH A O 1 HETATM 2859 O O . HOH N 5 . ? -5.955 -2.159 -36.667 1.00 41.97 ? 2334 HOH A O 1 HETATM 2860 O O . HOH N 5 . ? -2.459 -2.648 -35.634 1.00 24.42 ? 2335 HOH A O 1 HETATM 2861 O O . HOH N 5 . ? -2.367 -7.913 -47.953 1.00 27.64 ? 2336 HOH A O 1 HETATM 2862 O O . HOH N 5 . ? -5.824 -15.687 -38.785 1.00 30.94 ? 2337 HOH A O 1 HETATM 2863 O O . HOH N 5 . ? -2.202 -14.033 -51.534 1.00 37.39 ? 2338 HOH A O 1 HETATM 2864 O O . HOH N 5 . ? -4.228 -12.378 -51.113 1.00 42.16 ? 2339 HOH A O 1 HETATM 2865 O O . HOH N 5 . ? 3.795 -13.444 -51.099 1.00 36.09 ? 2340 HOH A O 1 HETATM 2866 O O . HOH N 5 . ? 2.821 -19.024 -49.615 1.00 28.60 ? 2341 HOH A O 1 HETATM 2867 O O . HOH N 5 . ? -1.790 -20.871 -50.109 1.00 30.55 ? 2342 HOH A O 1 HETATM 2868 O O . HOH N 5 . ? -0.907 -18.586 -52.384 1.00 40.90 ? 2343 HOH A O 1 HETATM 2869 O O . HOH N 5 . ? 1.703 -21.240 -50.615 1.00 34.48 ? 2344 HOH A O 1 HETATM 2870 O O . HOH N 5 . ? -6.096 -23.714 -47.567 1.00 31.10 ? 2345 HOH A O 1 HETATM 2871 O O . HOH N 5 . ? -8.198 -17.259 -47.809 1.00 32.27 ? 2346 HOH A O 1 HETATM 2872 O O . HOH N 5 . ? -11.214 -23.374 -47.305 1.00 41.79 ? 2347 HOH A O 1 HETATM 2873 O O . HOH N 5 . ? -10.044 -15.880 -46.158 1.00 43.03 ? 2348 HOH A O 1 HETATM 2874 O O . HOH N 5 . ? -10.638 -17.982 -39.519 1.00 43.56 ? 2349 HOH A O 1 HETATM 2875 O O . HOH N 5 . ? -4.931 -25.827 -40.027 1.00 26.43 ? 2350 HOH A O 1 HETATM 2876 O O . HOH N 5 . ? -9.265 -28.393 -48.570 1.00 31.92 ? 2351 HOH A O 1 HETATM 2877 O O . HOH N 5 . ? -16.329 -29.907 -45.674 1.00 41.09 ? 2352 HOH A O 1 HETATM 2878 O O . HOH N 5 . ? -14.990 -31.245 -43.762 1.00 34.92 ? 2353 HOH A O 1 HETATM 2879 O O . HOH N 5 . ? -9.613 -22.053 -36.020 1.00 43.33 ? 2354 HOH A O 1 HETATM 2880 O O . HOH N 5 . ? -6.640 -18.464 -37.873 1.00 35.25 ? 2355 HOH A O 1 HETATM 2881 O O . HOH N 5 . ? -2.912 -27.352 -37.172 1.00 37.13 ? 2356 HOH A O 1 HETATM 2882 O O . HOH N 5 . ? -2.965 -20.476 -39.349 1.00 27.29 ? 2357 HOH A O 1 HETATM 2883 O O . HOH N 5 . ? -2.259 -23.440 -49.065 1.00 34.29 ? 2358 HOH A O 1 HETATM 2884 O O . HOH N 5 . ? -5.430 -27.634 -46.045 1.00 27.62 ? 2359 HOH A O 1 HETATM 2885 O O . HOH N 5 . ? 0.697 -27.270 -46.380 1.00 21.85 ? 2360 HOH A O 1 HETATM 2886 O O . HOH N 5 . ? -0.840 -28.649 -53.999 1.00 48.28 ? 2361 HOH A O 1 HETATM 2887 O O . HOH N 5 . ? 2.463 -28.448 -48.395 1.00 28.18 ? 2362 HOH A O 1 HETATM 2888 O O . HOH N 5 . ? 10.186 -24.371 -49.575 1.00 32.83 ? 2363 HOH A O 1 HETATM 2889 O O . HOH N 5 . ? 12.498 -18.755 -46.930 1.00 34.14 ? 2364 HOH A O 1 HETATM 2890 O O . HOH N 5 . ? 12.223 -15.538 -50.390 1.00 39.46 ? 2365 HOH A O 1 HETATM 2891 O O . HOH N 5 . ? 8.742 -13.268 -51.768 1.00 36.96 ? 2366 HOH A O 1 HETATM 2892 O O . HOH N 5 . ? 6.189 -17.992 -52.913 1.00 42.95 ? 2367 HOH A O 1 HETATM 2893 O O . HOH N 5 . ? 10.201 -14.727 -54.319 1.00 47.52 ? 2368 HOH A O 1 HETATM 2894 O O . HOH N 5 . ? 12.403 -14.724 -47.330 1.00 37.10 ? 2369 HOH A O 1 HETATM 2895 O O . HOH N 5 . ? 11.381 -10.824 -48.280 1.00 30.51 ? 2370 HOH A O 1 HETATM 2896 O O . HOH N 5 . ? 15.915 -10.983 -43.479 1.00 44.33 ? 2371 HOH A O 1 HETATM 2897 O O . HOH N 5 . ? 8.051 3.587 -39.103 1.00 35.80 ? 2372 HOH A O 1 HETATM 2898 O O . HOH N 5 . ? 10.296 4.625 -39.765 1.00 51.17 ? 2373 HOH A O 1 HETATM 2899 O O . HOH N 5 . ? 13.816 0.374 -39.407 1.00 36.64 ? 2374 HOH A O 1 HETATM 2900 O O . HOH N 5 . ? 14.734 -2.131 -31.037 1.00 21.99 ? 2375 HOH A O 1 HETATM 2901 O O . HOH N 5 . ? 10.890 5.245 -31.206 1.00 39.48 ? 2376 HOH A O 1 HETATM 2902 O O . HOH N 5 . ? 16.983 4.277 -28.835 1.00 49.97 ? 2377 HOH A O 1 HETATM 2903 O O . HOH N 5 . ? 16.480 -0.112 -39.206 1.00 43.65 ? 2378 HOH A O 1 HETATM 2904 O O . HOH N 5 . ? 14.752 3.694 -38.310 1.00 45.58 ? 2379 HOH A O 1 HETATM 2905 O O . HOH N 5 . ? 17.702 -6.906 -38.218 1.00 44.57 ? 2380 HOH A O 1 HETATM 2906 O O . HOH N 5 . ? 17.443 -5.548 -35.022 1.00 41.13 ? 2381 HOH A O 1 HETATM 2907 O O . HOH N 5 . ? 10.945 -1.584 -41.199 1.00 24.68 ? 2382 HOH A O 1 HETATM 2908 O O . HOH N 5 . ? 13.965 -4.514 -43.436 1.00 37.71 ? 2383 HOH A O 1 HETATM 2909 O O . HOH N 5 . ? 14.621 -0.290 -42.659 1.00 42.73 ? 2384 HOH A O 1 HETATM 2910 O O . HOH N 5 . ? 13.624 -14.577 -38.727 1.00 26.89 ? 2385 HOH A O 1 HETATM 2911 O O . HOH N 5 . ? 12.683 -19.332 -44.154 1.00 27.93 ? 2386 HOH A O 1 HETATM 2912 O O . HOH N 5 . ? 7.982 -23.794 -41.051 1.00 35.94 ? 2387 HOH A O 1 HETATM 2913 O O . HOH N 5 . ? 9.716 -22.405 -36.712 1.00 42.00 ? 2388 HOH A O 1 HETATM 2914 O O . HOH N 5 . ? 9.484 -18.895 -34.766 1.00 21.75 ? 2389 HOH A O 1 HETATM 2915 O O . HOH N 5 . ? 6.620 -21.020 -36.125 1.00 35.88 ? 2390 HOH A O 1 HETATM 2916 O O . HOH N 5 . ? 3.878 -21.191 -36.157 1.00 36.79 ? 2391 HOH A O 1 HETATM 2917 O O . HOH N 5 . ? 1.435 -27.181 -39.528 1.00 21.61 ? 2392 HOH A O 1 HETATM 2918 O O . HOH N 5 . ? 5.933 -24.802 -34.652 1.00 44.42 ? 2393 HOH A O 1 HETATM 2919 O O . HOH N 5 . ? 7.951 -25.968 -37.885 1.00 35.32 ? 2394 HOH A O 1 HETATM 2920 O O . HOH N 5 . ? 9.249 -29.007 -38.961 1.00 45.83 ? 2395 HOH A O 1 HETATM 2921 O O . HOH N 5 . ? 7.295 -31.012 -47.203 1.00 41.06 ? 2396 HOH A O 1 HETATM 2922 O O . HOH N 5 . ? 2.482 -34.454 -35.983 1.00 24.52 ? 2397 HOH A O 1 HETATM 2923 O O . HOH N 5 . ? 5.603 -31.981 -35.827 1.00 33.93 ? 2398 HOH A O 1 HETATM 2924 O O . HOH N 5 . ? 6.179 -33.364 -37.855 1.00 39.95 ? 2399 HOH A O 1 HETATM 2925 O O . HOH N 5 . ? 7.576 -32.038 -42.647 1.00 27.46 ? 2400 HOH A O 1 HETATM 2926 O O . HOH N 5 . ? 7.858 -32.439 -39.958 1.00 33.82 ? 2401 HOH A O 1 HETATM 2927 O O . HOH N 5 . ? 4.887 -37.782 -43.383 1.00 31.53 ? 2402 HOH A O 1 HETATM 2928 O O . HOH N 5 . ? 9.345 -36.598 -38.435 1.00 39.35 ? 2403 HOH A O 1 HETATM 2929 O O . HOH N 5 . ? 4.453 -31.211 -48.194 1.00 30.46 ? 2404 HOH A O 1 HETATM 2930 O O . HOH N 5 . ? 1.486 -22.555 -37.185 1.00 31.37 ? 2405 HOH A O 1 HETATM 2931 O O . HOH N 5 . ? -1.039 -20.864 -35.966 1.00 37.27 ? 2406 HOH A O 1 HETATM 2932 O O . HOH N 5 . ? -4.143 -18.708 -37.702 1.00 31.67 ? 2407 HOH A O 1 HETATM 2933 O O . HOH N 5 . ? -3.551 -20.329 -35.218 1.00 29.85 ? 2408 HOH A O 1 HETATM 2934 O O . HOH N 5 . ? -3.990 -20.445 -30.414 1.00 43.88 ? 2409 HOH A O 1 HETATM 2935 O O . HOH N 5 . ? -7.541 -16.060 -37.053 1.00 38.97 ? 2410 HOH A O 1 HETATM 2936 O O . HOH N 5 . ? -9.875 -10.952 -26.966 1.00 49.09 ? 2411 HOH A O 1 HETATM 2937 O O . HOH N 5 . ? -11.496 -13.412 -33.097 1.00 45.29 ? 2412 HOH A O 1 HETATM 2938 O O . HOH N 5 . ? -14.255 -13.820 -37.256 1.00 50.34 ? 2413 HOH A O 1 HETATM 2939 O O . HOH N 5 . ? -11.078 -8.706 -25.822 1.00 50.95 ? 2414 HOH A O 1 HETATM 2940 O O . HOH N 5 . ? -11.629 -5.012 -30.507 1.00 47.12 ? 2415 HOH A O 1 HETATM 2941 O O . HOH N 5 . ? -7.550 -6.202 -25.802 1.00 43.24 ? 2416 HOH A O 1 HETATM 2942 O O . HOH N 5 . ? -5.142 -9.369 -27.338 1.00 41.88 ? 2417 HOH A O 1 HETATM 2943 O O . HOH N 5 . ? -3.643 -2.383 -33.220 1.00 35.12 ? 2418 HOH A O 1 HETATM 2944 O O . HOH N 5 . ? -10.613 -4.714 -32.762 1.00 44.05 ? 2419 HOH A O 1 HETATM 2945 O O . HOH N 5 . ? 7.806 -20.820 -33.738 1.00 36.32 ? 2420 HOH A O 1 HETATM 2946 O O . HOH N 5 . ? 11.889 -19.802 -35.118 1.00 29.39 ? 2421 HOH A O 1 HETATM 2947 O O . HOH N 5 . ? 16.949 -12.228 -37.367 1.00 37.21 ? 2422 HOH A O 1 HETATM 2948 O O . HOH N 5 . ? 17.903 -9.636 -37.417 1.00 45.42 ? 2423 HOH A O 1 HETATM 2949 O O . HOH N 5 . ? 18.423 -4.252 -14.708 1.00 26.54 ? 2424 HOH A O 1 HETATM 2950 O O . HOH N 5 . ? 9.704 -2.148 -12.430 1.00 16.31 ? 2425 HOH A O 1 HETATM 2951 O O . HOH N 5 . ? 12.046 0.298 -11.761 1.00 26.22 ? 2426 HOH A O 1 HETATM 2952 O O . HOH N 5 . ? 6.905 -1.950 -10.297 1.00 33.00 ? 2427 HOH A O 1 HETATM 2953 O O . HOH N 5 . ? 13.051 3.476 -13.445 1.00 43.58 ? 2428 HOH A O 1 HETATM 2954 O O . HOH N 5 . ? 16.658 1.787 -11.168 1.00 42.22 ? 2429 HOH A O 1 HETATM 2955 O O . HOH N 5 . ? 15.006 0.361 -9.939 1.00 43.88 ? 2430 HOH A O 1 HETATM 2956 O O . HOH N 5 . ? 18.354 1.661 -12.970 1.00 43.22 ? 2431 HOH A O 1 HETATM 2957 O O . HOH N 5 . ? 10.285 3.333 -12.051 1.00 47.71 ? 2432 HOH A O 1 HETATM 2958 O O . HOH N 5 . ? 11.584 3.568 -15.787 1.00 31.02 ? 2433 HOH A O 1 HETATM 2959 O O . HOH N 5 . ? 17.559 1.668 -22.664 1.00 34.48 ? 2434 HOH A O 1 HETATM 2960 O O . HOH N 5 . ? 11.082 -19.803 5.439 1.00 36.69 ? 2435 HOH A O 1 HETATM 2961 O O . HOH N 5 . ? 19.449 2.241 -24.765 1.00 47.82 ? 2436 HOH A O 1 HETATM 2962 O O . HOH N 5 . ? 20.178 -0.517 -12.213 1.00 48.34 ? 2437 HOH A O 1 HETATM 2963 O O . HOH N 5 . ? -4.266 -38.521 3.043 1.00 53.59 ? 2438 HOH A O 1 HETATM 2964 O O . HOH N 5 . ? -3.384 -37.449 0.286 1.00 48.05 ? 2439 HOH A O 1 HETATM 2965 O O . HOH N 5 . ? 27.195 -6.503 -33.341 1.00 54.68 ? 2440 HOH A O 1 HETATM 2966 O O . HOH N 5 . ? 21.967 -9.337 -35.012 1.00 44.77 ? 2441 HOH A O 1 HETATM 2967 O O . HOH N 5 . ? -6.075 -12.448 -13.061 1.00 27.89 ? 2442 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 ALA 1 4 ? ? ? A . n A 1 2 ARG 2 5 ? ? ? A . n A 1 3 GLU 3 6 ? ? ? A . n A 1 4 PRO 4 7 ? ? ? A . n A 1 5 LEU 5 8 ? ? ? A . n A 1 6 THR 6 9 ? ? ? A . n A 1 7 SER 7 10 ? ? ? A . n A 1 8 TYR 8 11 11 TYR TYR A . n A 1 9 LEU 9 12 12 LEU LEU A . n A 1 10 ASP 10 13 13 ASP ASP A . n A 1 11 SER 11 14 14 SER SER A . n A 1 12 GLN 12 15 15 GLN GLN A . n A 1 13 TYR 13 16 16 TYR TYR A . n A 1 14 PHE 14 17 17 PHE PHE A . n A 1 15 GLY 15 18 18 GLY GLY A . n A 1 16 LYS 16 19 19 LYS LYS A . n A 1 17 ILE 17 20 20 ILE ILE A . n A 1 18 TYR 18 21 21 TYR TYR A . n A 1 19 ILE 19 22 22 ILE ILE A . n A 1 20 GLY 20 23 23 GLY GLY A . n A 1 21 THR 21 24 24 THR THR A . n A 1 22 PRO 22 25 25 PRO PRO A . n A 1 23 PRO 23 26 26 PRO PRO A . n A 1 24 GLN 24 27 27 GLN GLN A . n A 1 25 GLU 25 28 28 GLU GLU A . n A 1 26 PHE 26 29 29 PHE PHE A . n A 1 27 THR 27 30 30 THR THR A . n A 1 28 VAL 28 31 31 VAL VAL A . n A 1 29 VAL 29 32 32 VAL VAL A . n A 1 30 PHE 30 33 33 PHE PHE A . n A 1 31 ASP 31 34 34 ASP ASP A . n A 1 32 THR 32 35 35 THR THR A . n A 1 33 GLY 33 36 36 GLY GLY A . n A 1 34 SER 34 37 37 SER SER A . n A 1 35 SER 35 38 38 SER SER A . n A 1 36 ASP 36 39 39 ASP ASP A . n A 1 37 LEU 37 40 40 LEU LEU A . n A 1 38 TRP 38 41 41 TRP TRP A . n A 1 39 VAL 39 42 42 VAL VAL A . n A 1 40 PRO 40 43 43 PRO PRO A . n A 1 41 SER 41 44 44 SER SER A . n A 1 42 ILE 42 45 45 ILE ILE A . n A 1 43 TYR 43 46 46 TYR TYR A . n A 1 44 CYS 44 47 47 CYS CYS A . n A 1 45 LYS 45 48 48 LYS LYS A . n A 1 46 SER 46 49 49 SER SER A . n A 1 47 ASN 47 50 50 ASN ASN A . n A 1 48 VAL 48 51 51 VAL VAL A . n A 1 49 CYS 49 52 52 CYS CYS A . n A 1 50 LYS 50 53 53 LYS LYS A . n A 1 51 ASN 51 54 54 ASN ASN A . n A 1 52 HIS 52 55 55 HIS HIS A . n A 1 53 HIS 53 56 56 HIS HIS A . n A 1 54 ARG 54 57 57 ARG ARG A . n A 1 55 PHE 55 58 58 PHE PHE A . n A 1 56 ASP 56 59 59 ASP ASP A . n A 1 57 PRO 57 60 60 PRO PRO A . n A 1 58 ARG 58 61 61 ARG ARG A . n A 1 59 LYS 59 62 62 LYS LYS A . n A 1 60 SER 60 63 63 SER SER A . n A 1 61 SER 61 64 64 SER SER A . n A 1 62 THR 62 65 65 THR THR A . n A 1 63 PHE 63 66 66 PHE PHE A . n A 1 64 ARG 64 67 67 ARG ARG A . n A 1 65 ASN 65 68 68 ASN ASN A . n A 1 66 LEU 66 69 69 LEU LEU A . n A 1 67 GLY 67 70 70 GLY GLY A . n A 1 68 LYS 68 71 71 LYS LYS A . n A 1 69 PRO 69 72 72 PRO PRO A . n A 1 70 LEU 70 73 73 LEU LEU A . n A 1 71 SER 71 74 74 SER SER A . n A 1 72 ILE 72 75 75 ILE ILE A . n A 1 73 HIS 73 76 76 HIS HIS A . n A 1 74 TYR 74 77 77 TYR TYR A . n A 1 75 GLY 75 78 78 GLY GLY A . n A 1 76 THR 76 79 79 THR THR A . n A 1 77 GLY 77 80 80 GLY GLY A . n A 1 78 SER 78 81 81 SER SER A . n A 1 79 MET 79 82 82 MET MET A . n A 1 80 GLU 80 83 83 GLU GLU A . n A 1 81 GLY 81 84 84 GLY GLY A . n A 1 82 PHE 82 85 85 PHE PHE A . n A 1 83 LEU 83 86 86 LEU LEU A . n A 1 84 GLY 84 87 87 GLY GLY A . n A 1 85 TYR 85 88 88 TYR TYR A . n A 1 86 ASP 86 89 89 ASP ASP A . n A 1 87 THR 87 90 90 THR THR A . n A 1 88 VAL 88 91 91 VAL VAL A . n A 1 89 THR 89 92 92 THR THR A . n A 1 90 VAL 90 93 93 VAL VAL A . n A 1 91 SER 91 94 94 SER SER A . n A 1 92 ASN 92 95 95 ASN ASN A . n A 1 93 ILE 93 96 96 ILE ILE A . n A 1 94 VAL 94 97 97 VAL VAL A . n A 1 95 ASP 95 98 98 ASP ASP A . n A 1 96 PRO 96 99 99 PRO PRO A . n A 1 97 ASN 97 100 100 ASN ASN A . n A 1 98 GLN 98 101 101 GLN GLN A . n A 1 99 THR 99 102 102 THR THR A . n A 1 100 VAL 100 103 103 VAL VAL A . n A 1 101 GLY 101 104 104 GLY GLY A . n A 1 102 LEU 102 105 105 LEU LEU A . n A 1 103 SER 103 106 106 SER SER A . n A 1 104 THR 104 107 107 THR THR A . n A 1 105 GLU 105 108 108 GLU GLU A . n A 1 106 GLN 106 109 109 GLN GLN A . n A 1 107 PRO 107 110 110 PRO PRO A . n A 1 108 GLY 108 111 111 GLY GLY A . n A 1 109 GLU 109 112 112 GLU GLU A . n A 1 110 VAL 110 113 113 VAL VAL A . n A 1 111 PHE 111 114 114 PHE PHE A . n A 1 112 THR 112 115 115 THR THR A . n A 1 113 TYR 113 116 116 TYR TYR A . n A 1 114 SER 114 117 117 SER SER A . n A 1 115 GLU 115 118 118 GLU GLU A . n A 1 116 PHE 116 119 119 PHE PHE A . n A 1 117 ASP 117 120 120 ASP ASP A . n A 1 118 GLY 118 121 121 GLY GLY A . n A 1 119 ILE 119 122 122 ILE ILE A . n A 1 120 LEU 120 123 123 LEU LEU A . n A 1 121 GLY 121 124 124 GLY GLY A . n A 1 122 LEU 122 125 125 LEU LEU A . n A 1 123 ALA 123 126 126 ALA ALA A . n A 1 124 TYR 124 127 127 TYR TYR A . n A 1 125 PRO 125 128 128 PRO PRO A . n A 1 126 SER 126 129 129 SER SER A . n A 1 127 LEU 127 130 130 LEU LEU A . n A 1 128 ALA 128 131 131 ALA ALA A . n A 1 129 SER 129 132 132 SER SER A . n A 1 130 GLU 130 133 133 GLU GLU A . n A 1 131 TYR 131 134 134 TYR TYR A . n A 1 132 SER 132 135 135 SER SER A . n A 1 133 VAL 133 136 136 VAL VAL A . n A 1 134 PRO 134 137 137 PRO PRO A . n A 1 135 VAL 135 138 138 VAL VAL A . n A 1 136 PHE 136 139 139 PHE PHE A . n A 1 137 ASP 137 140 140 ASP ASP A . n A 1 138 ASN 138 141 141 ASN ASN A . n A 1 139 MET 139 142 142 MET MET A . n A 1 140 MET 140 143 143 MET MET A . n A 1 141 ASP 141 144 144 ASP ASP A . n A 1 142 ARG 142 145 145 ARG ARG A . n A 1 143 HIS 143 146 146 HIS HIS A . n A 1 144 LEU 144 147 147 LEU LEU A . n A 1 145 VAL 145 148 148 VAL VAL A . n A 1 146 ALA 146 149 149 ALA ALA A . n A 1 147 ARG 147 150 150 ARG ARG A . n A 1 148 ASP 148 151 151 ASP ASP A . n A 1 149 LEU 149 152 152 LEU LEU A . n A 1 150 PHE 150 153 153 PHE PHE A . n A 1 151 SER 151 154 154 SER SER A . n A 1 152 VAL 152 155 155 VAL VAL A . n A 1 153 TYR 153 156 156 TYR TYR A . n A 1 154 MET 154 157 157 MET MET A . n A 1 155 ASP 155 158 158 ASP ASP A . n A 1 156 ARG 156 159 159 ARG ARG A . n A 1 157 ASN 157 160 160 ASN ASN A . n A 1 158 GLY 158 161 161 GLY GLY A . n A 1 159 GLN 159 162 162 GLN GLN A . n A 1 160 GLY 160 163 163 GLY GLY A . n A 1 161 SER 161 164 164 SER SER A . n A 1 162 MET 162 165 165 MET MET A . n A 1 163 LEU 163 166 166 LEU LEU A . n A 1 164 THR 164 167 167 THR THR A . n A 1 165 LEU 165 168 168 LEU LEU A . n A 1 166 GLY 166 169 169 GLY GLY A . n A 1 167 ALA 167 170 170 ALA ALA A . n A 1 168 ILE 168 171 171 ILE ILE A . n A 1 169 ASP 169 172 172 ASP ASP A . n A 1 170 PRO 170 173 173 PRO PRO A . n A 1 171 SER 171 174 174 SER SER A . n A 1 172 TYR 172 175 175 TYR TYR A . n A 1 173 TYR 173 176 176 TYR TYR A . n A 1 174 THR 174 177 177 THR THR A . n A 1 175 GLY 175 178 178 GLY GLY A . n A 1 176 SER 176 179 179 SER SER A . n A 1 177 LEU 177 180 180 LEU LEU A . n A 1 178 HIS 178 181 181 HIS HIS A . n A 1 179 TRP 179 182 182 TRP TRP A . n A 1 180 VAL 180 183 183 VAL VAL A . n A 1 181 PRO 181 184 184 PRO PRO A . n A 1 182 VAL 182 185 185 VAL VAL A . n A 1 183 THR 183 186 186 THR THR A . n A 1 184 LEU 184 187 187 LEU LEU A . n A 1 185 GLN 185 188 188 GLN GLN A . n A 1 186 GLN 186 189 189 GLN GLN A . n A 1 187 TYR 187 190 190 TYR TYR A . n A 1 188 TRP 188 191 191 TRP TRP A . n A 1 189 GLN 189 192 192 GLN GLN A . n A 1 190 PHE 190 193 193 PHE PHE A . n A 1 191 THR 191 194 194 THR THR A . n A 1 192 VAL 192 195 195 VAL VAL A . n A 1 193 ASP 193 196 196 ASP ASP A . n A 1 194 SER 194 197 197 SER SER A . n A 1 195 VAL 195 198 198 VAL VAL A . n A 1 196 THR 196 199 199 THR THR A . n A 1 197 ILE 197 200 200 ILE ILE A . n A 1 198 ASN 198 201 201 ASN ASN A . n A 1 199 GLY 199 202 202 GLY GLY A . n A 1 200 VAL 200 203 203 VAL VAL A . n A 1 201 ALA 201 204 204 ALA ALA A . n A 1 202 VAL 202 205 205 VAL VAL A . n A 1 203 ALA 203 206 206 ALA ALA A . n A 1 204 CYS 204 207 207 CYS CYS A . n A 1 205 VAL 205 208 208 VAL VAL A . n A 1 206 GLY 206 209 209 GLY GLY A . n A 1 207 GLY 207 210 210 GLY GLY A . n A 1 208 CYS 208 211 211 CYS CYS A . n A 1 209 GLN 209 212 212 GLN GLN A . n A 1 210 ALA 210 213 213 ALA ALA A . n A 1 211 ILE 211 214 214 ILE ILE A . n A 1 212 LEU 212 215 215 LEU LEU A . n A 1 213 ASP 213 216 216 ASP ASP A . n A 1 214 THR 214 217 217 THR THR A . n A 1 215 GLY 215 218 218 GLY GLY A . n A 1 216 THR 216 219 219 THR THR A . n A 1 217 SER 217 220 220 SER SER A . n A 1 218 VAL 218 221 221 VAL VAL A . n A 1 219 LEU 219 222 222 LEU LEU A . n A 1 220 PHE 220 223 223 PHE PHE A . n A 1 221 GLY 221 224 224 GLY GLY A . n A 1 222 PRO 222 225 225 PRO PRO A . n A 1 223 SER 223 226 226 SER SER A . n A 1 224 SER 224 227 227 SER SER A . n A 1 225 ASP 225 228 228 ASP ASP A . n A 1 226 ILE 226 229 229 ILE ILE A . n A 1 227 LEU 227 230 230 LEU LEU A . n A 1 228 LYS 228 231 231 LYS LYS A . n A 1 229 ILE 229 232 232 ILE ILE A . n A 1 230 GLN 230 233 233 GLN GLN A . n A 1 231 MET 231 234 234 MET MET A . n A 1 232 ALA 232 235 235 ALA ALA A . n A 1 233 ILE 233 236 236 ILE ILE A . n A 1 234 GLY 234 237 237 GLY GLY A . n A 1 235 ALA 235 238 238 ALA ALA A . n A 1 236 THR 236 239 239 THR THR A . n A 1 237 GLU 237 240 240 GLU GLU A . n A 1 238 ASN 238 241 241 ASN ASN A . n A 1 239 ARG 239 242 242 ARG ARG A . n A 1 240 TYR 240 243 243 TYR TYR A . n A 1 241 GLY 241 244 244 GLY GLY A . n A 1 242 GLU 242 245 245 GLU GLU A . n A 1 243 PHE 243 246 246 PHE PHE A . n A 1 244 ASP 244 247 247 ASP ASP A . n A 1 245 VAL 245 248 248 VAL VAL A . n A 1 246 ASN 246 249 249 ASN ASN A . n A 1 247 CYS 247 250 250 CYS CYS A . n A 1 248 GLY 248 251 251 GLY GLY A . n A 1 249 ASN 249 252 252 ASN ASN A . n A 1 250 LEU 250 253 253 LEU LEU A . n A 1 251 ARG 251 254 254 ARG ARG A . n A 1 252 SER 252 255 255 SER SER A . n A 1 253 MET 253 256 256 MET MET A . n A 1 254 PRO 254 257 257 PRO PRO A . n A 1 255 THR 255 258 258 THR THR A . n A 1 256 VAL 256 259 259 VAL VAL A . n A 1 257 VAL 257 260 260 VAL VAL A . n A 1 258 PHE 258 261 261 PHE PHE A . n A 1 259 GLU 259 262 262 GLU GLU A . n A 1 260 ILE 260 263 263 ILE ILE A . n A 1 261 ASN 261 264 264 ASN ASN A . n A 1 262 GLY 262 265 265 GLY GLY A . n A 1 263 ARG 263 266 266 ARG ARG A . n A 1 264 ASP 264 267 267 ASP ASP A . n A 1 265 TYR 265 268 268 TYR TYR A . n A 1 266 PRO 266 269 269 PRO PRO A . n A 1 267 LEU 267 270 270 LEU LEU A . n A 1 268 SER 268 271 271 SER SER A . n A 1 269 PRO 269 272 272 PRO PRO A . n A 1 270 SER 270 273 273 SER SER A . n A 1 271 ALA 271 274 274 ALA ALA A . n A 1 272 TYR 272 275 275 TYR TYR A . n A 1 273 THR 273 276 276 THR THR A . n A 1 274 SER 274 277 277 SER SER A . n A 1 275 LYS 275 278 278 LYS LYS A . n A 1 276 ASP 276 279 279 ASP ASP A . n A 1 277 GLN 277 280 280 GLN GLN A . n A 1 278 GLY 278 281 281 GLY GLY A . n A 1 279 PHE 279 282 282 PHE PHE A . n A 1 280 CYS 280 283 283 CYS CYS A . n A 1 281 THR 281 284 284 THR THR A . n A 1 282 SER 282 285 285 SER SER A . n A 1 283 GLY 283 286 286 GLY GLY A . n A 1 284 PHE 284 287 287 PHE PHE A . n A 1 285 GLN 285 288 288 GLN GLN A . n A 1 286 GLY 286 289 289 GLY GLY A . n A 1 287 ASP 287 290 290 ASP ASP A . n A 1 288 ASN 288 291 291 ASN ASN A . n A 1 289 ASN 289 292 292 ASN ASN A . n A 1 290 SER 290 293 293 SER SER A . n A 1 291 GLU 291 294 294 GLU GLU A . n A 1 292 LEU 292 295 295 LEU LEU A . n A 1 293 TRP 293 296 296 TRP TRP A . n A 1 294 ILE 294 297 297 ILE ILE A . n A 1 295 LEU 295 298 298 LEU LEU A . n A 1 296 GLY 296 299 299 GLY GLY A . n A 1 297 ASP 297 300 300 ASP ASP A . n A 1 298 VAL 298 301 301 VAL VAL A . n A 1 299 PHE 299 302 302 PHE PHE A . n A 1 300 ILE 300 303 303 ILE ILE A . n A 1 301 ARG 301 304 304 ARG ARG A . n A 1 302 GLU 302 305 305 GLU GLU A . n A 1 303 TYR 303 306 306 TYR TYR A . n A 1 304 TYR 304 307 307 TYR TYR A . n A 1 305 SER 305 308 308 SER SER A . n A 1 306 VAL 306 309 309 VAL VAL A . n A 1 307 PHE 307 310 310 PHE PHE A . n A 1 308 ASP 308 311 311 ASP ASP A . n A 1 309 ARG 309 312 312 ARG ARG A . n A 1 310 ALA 310 313 313 ALA ALA A . n A 1 311 ASN 311 314 314 ASN ASN A . n A 1 312 ASN 312 315 315 ASN ASN A . n A 1 313 ARG 313 316 316 ARG ARG A . n A 1 314 VAL 314 317 317 VAL VAL A . n A 1 315 GLY 315 318 318 GLY GLY A . n A 1 316 LEU 316 319 319 LEU LEU A . n A 1 317 ALA 317 320 320 ALA ALA A . n A 1 318 LYS 318 321 321 LYS LYS A . n A 1 319 ALA 319 322 322 ALA ALA A . n A 1 320 ILE 320 323 323 ILE ILE 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 1 500 500 NAG NAG A . C 3 SO4 1 1324 1324 SO4 SO4 A . D 3 SO4 1 1325 1325 SO4 SO4 A . E 3 SO4 1 1326 1326 SO4 SO4 A . F 3 SO4 1 1327 1327 SO4 SO4 A . G 3 SO4 1 1328 1328 SO4 SO4 A . H 3 SO4 1 1329 1329 SO4 SO4 A . I 3 SO4 1 1330 1330 SO4 SO4 A . J 3 SO4 1 1331 1331 SO4 SO4 A . K 3 SO4 1 1332 1332 SO4 SO4 A . L 3 SO4 1 1333 1333 SO4 SO4 A . M 4 GOL 1 1334 1334 GOL GOL A . N 5 HOH 1 2001 2001 HOH HOH A . N 5 HOH 2 2002 2002 HOH HOH A . N 5 HOH 3 2003 2003 HOH HOH A . N 5 HOH 4 2004 2004 HOH HOH A . N 5 HOH 5 2005 2005 HOH HOH A . N 5 HOH 6 2006 2006 HOH HOH A . N 5 HOH 7 2007 2007 HOH HOH A . N 5 HOH 8 2008 2008 HOH HOH A . N 5 HOH 9 2009 2009 HOH HOH A . N 5 HOH 10 2010 2010 HOH HOH A . N 5 HOH 11 2011 2011 HOH HOH A . N 5 HOH 12 2012 2012 HOH HOH A . N 5 HOH 13 2013 2013 HOH HOH A . N 5 HOH 14 2014 2014 HOH HOH A . N 5 HOH 15 2015 2015 HOH HOH A . N 5 HOH 16 2016 2016 HOH HOH A . N 5 HOH 17 2017 2017 HOH HOH A . N 5 HOH 18 2018 2018 HOH HOH A . N 5 HOH 19 2019 2019 HOH HOH A . N 5 HOH 20 2020 2020 HOH HOH A . N 5 HOH 21 2021 2021 HOH HOH A . N 5 HOH 22 2022 2022 HOH HOH A . N 5 HOH 23 2023 2023 HOH HOH A . N 5 HOH 24 2024 2024 HOH HOH A . N 5 HOH 25 2025 2025 HOH HOH A . N 5 HOH 26 2026 2026 HOH HOH A . N 5 HOH 27 2027 2027 HOH HOH A . N 5 HOH 28 2028 2028 HOH HOH A . N 5 HOH 29 2029 2029 HOH HOH A . N 5 HOH 30 2030 2030 HOH HOH A . N 5 HOH 31 2031 2031 HOH HOH A . N 5 HOH 32 2032 2032 HOH HOH A . N 5 HOH 33 2033 2033 HOH HOH A . N 5 HOH 34 2034 2034 HOH HOH A . N 5 HOH 35 2035 2035 HOH HOH A . N 5 HOH 36 2036 2036 HOH HOH A . N 5 HOH 37 2037 2037 HOH HOH A . N 5 HOH 38 2038 2038 HOH HOH A . N 5 HOH 39 2039 2039 HOH HOH A . N 5 HOH 40 2040 2040 HOH HOH A . N 5 HOH 41 2041 2041 HOH HOH A . N 5 HOH 42 2042 2042 HOH HOH A . N 5 HOH 43 2043 2043 HOH HOH A . N 5 HOH 44 2044 2044 HOH HOH A . N 5 HOH 45 2045 2045 HOH HOH A . N 5 HOH 46 2046 2046 HOH HOH A . N 5 HOH 47 2047 2047 HOH HOH A . N 5 HOH 48 2048 2048 HOH HOH A . N 5 HOH 49 2049 2049 HOH HOH A . N 5 HOH 50 2050 2050 HOH HOH A . N 5 HOH 51 2051 2051 HOH HOH A . N 5 HOH 52 2052 2052 HOH HOH A . N 5 HOH 53 2053 2053 HOH HOH A . N 5 HOH 54 2054 2054 HOH HOH A . N 5 HOH 55 2055 2055 HOH HOH A . N 5 HOH 56 2056 2056 HOH HOH A . N 5 HOH 57 2057 2057 HOH HOH A . N 5 HOH 58 2058 2058 HOH HOH A . N 5 HOH 59 2059 2059 HOH HOH A . N 5 HOH 60 2060 2060 HOH HOH A . N 5 HOH 61 2061 2061 HOH HOH A . N 5 HOH 62 2062 2062 HOH HOH A . N 5 HOH 63 2063 2063 HOH HOH A . N 5 HOH 64 2064 2064 HOH HOH A . N 5 HOH 65 2065 2065 HOH HOH A . N 5 HOH 66 2066 2066 HOH HOH A . N 5 HOH 67 2067 2067 HOH HOH A . N 5 HOH 68 2068 2068 HOH HOH A . N 5 HOH 69 2069 2069 HOH HOH A . N 5 HOH 70 2070 2070 HOH HOH A . N 5 HOH 71 2071 2071 HOH HOH A . N 5 HOH 72 2072 2072 HOH HOH A . N 5 HOH 73 2073 2073 HOH HOH A . N 5 HOH 74 2074 2074 HOH HOH A . N 5 HOH 75 2075 2075 HOH HOH A . N 5 HOH 76 2076 2076 HOH HOH A . N 5 HOH 77 2077 2077 HOH HOH A . N 5 HOH 78 2078 2078 HOH HOH A . N 5 HOH 79 2079 2079 HOH HOH A . N 5 HOH 80 2080 2080 HOH HOH A . N 5 HOH 81 2081 2081 HOH HOH A . N 5 HOH 82 2082 2082 HOH HOH A . N 5 HOH 83 2083 2083 HOH HOH A . N 5 HOH 84 2084 2084 HOH HOH A . N 5 HOH 85 2085 2085 HOH HOH A . N 5 HOH 86 2086 2086 HOH HOH A . N 5 HOH 87 2087 2087 HOH HOH A . N 5 HOH 88 2088 2088 HOH HOH A . N 5 HOH 89 2089 2089 HOH HOH A . N 5 HOH 90 2090 2090 HOH HOH A . N 5 HOH 91 2091 2091 HOH HOH A . N 5 HOH 92 2092 2092 HOH HOH A . N 5 HOH 93 2093 2093 HOH HOH A . N 5 HOH 94 2094 2094 HOH HOH A . N 5 HOH 95 2095 2095 HOH HOH A . N 5 HOH 96 2096 2096 HOH HOH A . N 5 HOH 97 2097 2097 HOH HOH A . N 5 HOH 98 2098 2098 HOH HOH A . N 5 HOH 99 2099 2099 HOH HOH A . N 5 HOH 100 2100 2100 HOH HOH A . N 5 HOH 101 2101 2101 HOH HOH A . N 5 HOH 102 2102 2102 HOH HOH A . N 5 HOH 103 2103 2103 HOH HOH A . N 5 HOH 104 2104 2104 HOH HOH A . N 5 HOH 105 2105 2105 HOH HOH A . N 5 HOH 106 2106 2106 HOH HOH A . N 5 HOH 107 2107 2107 HOH HOH A . N 5 HOH 108 2108 2108 HOH HOH A . N 5 HOH 109 2109 2109 HOH HOH A . N 5 HOH 110 2110 2110 HOH HOH A . N 5 HOH 111 2111 2111 HOH HOH A . N 5 HOH 112 2112 2112 HOH HOH A . N 5 HOH 113 2113 2113 HOH HOH A . N 5 HOH 114 2114 2114 HOH HOH A . N 5 HOH 115 2115 2115 HOH HOH A . N 5 HOH 116 2116 2116 HOH HOH A . N 5 HOH 117 2117 2117 HOH HOH A . N 5 HOH 118 2118 2118 HOH HOH A . N 5 HOH 119 2119 2119 HOH HOH A . N 5 HOH 120 2120 2120 HOH HOH A . N 5 HOH 121 2121 2121 HOH HOH A . N 5 HOH 122 2122 2122 HOH HOH A . N 5 HOH 123 2123 2123 HOH HOH A . N 5 HOH 124 2124 2124 HOH HOH A . N 5 HOH 125 2125 2125 HOH HOH A . N 5 HOH 126 2126 2126 HOH HOH A . N 5 HOH 127 2127 2127 HOH HOH A . N 5 HOH 128 2128 2128 HOH HOH A . N 5 HOH 129 2129 2129 HOH HOH A . N 5 HOH 130 2130 2130 HOH HOH A . N 5 HOH 131 2131 2131 HOH HOH A . N 5 HOH 132 2132 2132 HOH HOH A . N 5 HOH 133 2133 2133 HOH HOH A . N 5 HOH 134 2134 2134 HOH HOH A . N 5 HOH 135 2135 2135 HOH HOH A . N 5 HOH 136 2136 2136 HOH HOH A . N 5 HOH 137 2137 2137 HOH HOH A . N 5 HOH 138 2138 2138 HOH HOH A . N 5 HOH 139 2139 2139 HOH HOH A . N 5 HOH 140 2140 2140 HOH HOH A . N 5 HOH 141 2141 2141 HOH HOH A . N 5 HOH 142 2142 2142 HOH HOH A . N 5 HOH 143 2143 2143 HOH HOH A . N 5 HOH 144 2144 2144 HOH HOH A . N 5 HOH 145 2145 2145 HOH HOH A . N 5 HOH 146 2146 2146 HOH HOH A . N 5 HOH 147 2147 2147 HOH HOH A . N 5 HOH 148 2148 2148 HOH HOH A . N 5 HOH 149 2149 2149 HOH HOH A . N 5 HOH 150 2150 2150 HOH HOH A . N 5 HOH 151 2151 2151 HOH HOH A . N 5 HOH 152 2152 2152 HOH HOH A . N 5 HOH 153 2153 2153 HOH HOH A . N 5 HOH 154 2154 2154 HOH HOH A . N 5 HOH 155 2155 2155 HOH HOH A . N 5 HOH 156 2156 2156 HOH HOH A . N 5 HOH 157 2157 2157 HOH HOH A . N 5 HOH 158 2158 2158 HOH HOH A . N 5 HOH 159 2159 2159 HOH HOH A . N 5 HOH 160 2160 2160 HOH HOH A . N 5 HOH 161 2161 2161 HOH HOH A . N 5 HOH 162 2162 2162 HOH HOH A . N 5 HOH 163 2163 2163 HOH HOH A . N 5 HOH 164 2164 2164 HOH HOH A . N 5 HOH 165 2165 2165 HOH HOH A . N 5 HOH 166 2166 2166 HOH HOH A . N 5 HOH 167 2167 2167 HOH HOH A . N 5 HOH 168 2168 2168 HOH HOH A . N 5 HOH 169 2169 2169 HOH HOH A . N 5 HOH 170 2170 2170 HOH HOH A . N 5 HOH 171 2171 2171 HOH HOH A . N 5 HOH 172 2172 2172 HOH HOH A . N 5 HOH 173 2173 2173 HOH HOH A . N 5 HOH 174 2174 2174 HOH HOH A . N 5 HOH 175 2175 2175 HOH HOH A . N 5 HOH 176 2176 2176 HOH HOH A . N 5 HOH 177 2177 2177 HOH HOH A . N 5 HOH 178 2178 2178 HOH HOH A . N 5 HOH 179 2179 2179 HOH HOH A . N 5 HOH 180 2180 2180 HOH HOH A . N 5 HOH 181 2181 2181 HOH HOH A . N 5 HOH 182 2182 2182 HOH HOH A . N 5 HOH 183 2183 2183 HOH HOH A . N 5 HOH 184 2184 2184 HOH HOH A . N 5 HOH 185 2185 2185 HOH HOH A . N 5 HOH 186 2186 2186 HOH HOH A . N 5 HOH 187 2187 2187 HOH HOH A . N 5 HOH 188 2188 2188 HOH HOH A . N 5 HOH 189 2189 2189 HOH HOH A . N 5 HOH 190 2190 2190 HOH HOH A . N 5 HOH 191 2191 2191 HOH HOH A . N 5 HOH 192 2192 2192 HOH HOH A . N 5 HOH 193 2193 2193 HOH HOH A . N 5 HOH 194 2194 2194 HOH HOH A . N 5 HOH 195 2195 2195 HOH HOH A . N 5 HOH 196 2196 2196 HOH HOH A . N 5 HOH 197 2197 2197 HOH HOH A . N 5 HOH 198 2198 2198 HOH HOH A . N 5 HOH 199 2199 2199 HOH HOH A . N 5 HOH 200 2200 2200 HOH HOH A . N 5 HOH 201 2201 2201 HOH HOH A . N 5 HOH 202 2202 2202 HOH HOH A . N 5 HOH 203 2203 2203 HOH HOH A . N 5 HOH 204 2204 2204 HOH HOH A . N 5 HOH 205 2205 2205 HOH HOH A . N 5 HOH 206 2206 2206 HOH HOH A . N 5 HOH 207 2207 2207 HOH HOH A . N 5 HOH 208 2208 2208 HOH HOH A . N 5 HOH 209 2209 2209 HOH HOH A . N 5 HOH 210 2210 2210 HOH HOH A . N 5 HOH 211 2211 2211 HOH HOH A . N 5 HOH 212 2212 2212 HOH HOH A . N 5 HOH 213 2213 2213 HOH HOH A . N 5 HOH 214 2214 2214 HOH HOH A . N 5 HOH 215 2215 2215 HOH HOH A . N 5 HOH 216 2216 2216 HOH HOH A . N 5 HOH 217 2217 2217 HOH HOH A . N 5 HOH 218 2218 2218 HOH HOH A . N 5 HOH 219 2219 2219 HOH HOH A . N 5 HOH 220 2220 2220 HOH HOH A . N 5 HOH 221 2221 2221 HOH HOH A . N 5 HOH 222 2222 2222 HOH HOH A . N 5 HOH 223 2223 2223 HOH HOH A . N 5 HOH 224 2224 2224 HOH HOH A . N 5 HOH 225 2225 2225 HOH HOH A . N 5 HOH 226 2226 2226 HOH HOH A . N 5 HOH 227 2227 2227 HOH HOH A . N 5 HOH 228 2228 2228 HOH HOH A . N 5 HOH 229 2229 2229 HOH HOH A . N 5 HOH 230 2230 2230 HOH HOH A . N 5 HOH 231 2231 2231 HOH HOH A . N 5 HOH 232 2232 2232 HOH HOH A . N 5 HOH 233 2233 2233 HOH HOH A . N 5 HOH 234 2234 2234 HOH HOH A . N 5 HOH 235 2235 2235 HOH HOH A . N 5 HOH 236 2236 2236 HOH HOH A . N 5 HOH 237 2237 2237 HOH HOH A . N 5 HOH 238 2238 2238 HOH HOH A . N 5 HOH 239 2239 2239 HOH HOH A . N 5 HOH 240 2240 2240 HOH HOH A . N 5 HOH 241 2241 2241 HOH HOH A . N 5 HOH 242 2242 2242 HOH HOH A . N 5 HOH 243 2243 2243 HOH HOH A . N 5 HOH 244 2244 2244 HOH HOH A . N 5 HOH 245 2245 2245 HOH HOH A . N 5 HOH 246 2246 2246 HOH HOH A . N 5 HOH 247 2247 2247 HOH HOH A . N 5 HOH 248 2248 2248 HOH HOH A . N 5 HOH 249 2249 2249 HOH HOH A . N 5 HOH 250 2250 2250 HOH HOH A . N 5 HOH 251 2251 2251 HOH HOH A . N 5 HOH 252 2252 2252 HOH HOH A . N 5 HOH 253 2253 2253 HOH HOH A . N 5 HOH 254 2254 2254 HOH HOH A . N 5 HOH 255 2255 2255 HOH HOH A . N 5 HOH 256 2256 2256 HOH HOH A . N 5 HOH 257 2257 2257 HOH HOH A . N 5 HOH 258 2258 2258 HOH HOH A . N 5 HOH 259 2259 2259 HOH HOH A . N 5 HOH 260 2260 2260 HOH HOH A . N 5 HOH 261 2261 2261 HOH HOH A . N 5 HOH 262 2262 2262 HOH HOH A . N 5 HOH 263 2263 2263 HOH HOH A . N 5 HOH 264 2264 2264 HOH HOH A . N 5 HOH 265 2265 2265 HOH HOH A . N 5 HOH 266 2266 2266 HOH HOH A . N 5 HOH 267 2267 2267 HOH HOH A . N 5 HOH 268 2268 2268 HOH HOH A . N 5 HOH 269 2269 2269 HOH HOH A . N 5 HOH 270 2270 2270 HOH HOH A . N 5 HOH 271 2271 2271 HOH HOH A . N 5 HOH 272 2272 2272 HOH HOH A . N 5 HOH 273 2273 2273 HOH HOH A . N 5 HOH 274 2274 2274 HOH HOH A . N 5 HOH 275 2275 2275 HOH HOH A . N 5 HOH 276 2276 2276 HOH HOH A . N 5 HOH 277 2277 2277 HOH HOH A . N 5 HOH 278 2278 2278 HOH HOH A . N 5 HOH 279 2279 2279 HOH HOH A . N 5 HOH 280 2280 2280 HOH HOH A . N 5 HOH 281 2281 2281 HOH HOH A . N 5 HOH 282 2282 2282 HOH HOH A . N 5 HOH 283 2283 2283 HOH HOH A . N 5 HOH 284 2284 2284 HOH HOH A . N 5 HOH 285 2285 2285 HOH HOH A . N 5 HOH 286 2286 2286 HOH HOH A . N 5 HOH 287 2287 2287 HOH HOH A . N 5 HOH 288 2288 2288 HOH HOH A . N 5 HOH 289 2289 2289 HOH HOH A . N 5 HOH 290 2290 2290 HOH HOH A . N 5 HOH 291 2291 2291 HOH HOH A . N 5 HOH 292 2292 2292 HOH HOH A . N 5 HOH 293 2293 2293 HOH HOH A . N 5 HOH 294 2294 2294 HOH HOH A . N 5 HOH 295 2295 2295 HOH HOH A . N 5 HOH 296 2296 2296 HOH HOH A . N 5 HOH 297 2297 2297 HOH HOH A . N 5 HOH 298 2298 2298 HOH HOH A . N 5 HOH 299 2299 2299 HOH HOH A . N 5 HOH 300 2300 2300 HOH HOH A . N 5 HOH 301 2301 2301 HOH HOH A . N 5 HOH 302 2302 2302 HOH HOH A . N 5 HOH 303 2303 2303 HOH HOH A . N 5 HOH 304 2304 2304 HOH HOH A . N 5 HOH 305 2305 2305 HOH HOH A . N 5 HOH 306 2306 2306 HOH HOH A . N 5 HOH 307 2307 2307 HOH HOH A . N 5 HOH 308 2308 2308 HOH HOH A . N 5 HOH 309 2309 2309 HOH HOH A . N 5 HOH 310 2310 2310 HOH HOH A . N 5 HOH 311 2311 2311 HOH HOH A . N 5 HOH 312 2312 2312 HOH HOH A . N 5 HOH 313 2313 2313 HOH HOH A . N 5 HOH 314 2314 2314 HOH HOH A . N 5 HOH 315 2315 2315 HOH HOH A . N 5 HOH 316 2316 2316 HOH HOH A . N 5 HOH 317 2317 2317 HOH HOH A . N 5 HOH 318 2318 2318 HOH HOH A . N 5 HOH 319 2319 2319 HOH HOH A . N 5 HOH 320 2320 2320 HOH HOH A . N 5 HOH 321 2321 2321 HOH HOH A . N 5 HOH 322 2322 2322 HOH HOH A . N 5 HOH 323 2323 2323 HOH HOH A . N 5 HOH 324 2324 2324 HOH HOH A . N 5 HOH 325 2325 2325 HOH HOH A . N 5 HOH 326 2326 2326 HOH HOH A . N 5 HOH 327 2327 2327 HOH HOH A . N 5 HOH 328 2328 2328 HOH HOH A . N 5 HOH 329 2329 2329 HOH HOH A . N 5 HOH 330 2330 2330 HOH HOH A . N 5 HOH 331 2331 2331 HOH HOH A . N 5 HOH 332 2332 2332 HOH HOH A . N 5 HOH 333 2333 2333 HOH HOH A . N 5 HOH 334 2334 2334 HOH HOH A . N 5 HOH 335 2335 2335 HOH HOH A . N 5 HOH 336 2336 2336 HOH HOH A . N 5 HOH 337 2337 2337 HOH HOH A . N 5 HOH 338 2338 2338 HOH HOH A . N 5 HOH 339 2339 2339 HOH HOH A . N 5 HOH 340 2340 2340 HOH HOH A . N 5 HOH 341 2341 2341 HOH HOH A . N 5 HOH 342 2342 2342 HOH HOH A . N 5 HOH 343 2343 2343 HOH HOH A . N 5 HOH 344 2344 2344 HOH HOH A . N 5 HOH 345 2345 2345 HOH HOH A . N 5 HOH 346 2346 2346 HOH HOH A . N 5 HOH 347 2347 2347 HOH HOH A . N 5 HOH 348 2348 2348 HOH HOH A . N 5 HOH 349 2349 2349 HOH HOH A . N 5 HOH 350 2350 2350 HOH HOH A . N 5 HOH 351 2351 2351 HOH HOH A . N 5 HOH 352 2352 2352 HOH HOH A . N 5 HOH 353 2353 2353 HOH HOH A . N 5 HOH 354 2354 2354 HOH HOH A . N 5 HOH 355 2355 2355 HOH HOH A . N 5 HOH 356 2356 2356 HOH HOH A . N 5 HOH 357 2357 2357 HOH HOH A . N 5 HOH 358 2358 2358 HOH HOH A . N 5 HOH 359 2359 2359 HOH HOH A . N 5 HOH 360 2360 2360 HOH HOH A . N 5 HOH 361 2361 2361 HOH HOH A . N 5 HOH 362 2362 2362 HOH HOH A . N 5 HOH 363 2363 2363 HOH HOH A . N 5 HOH 364 2364 2364 HOH HOH A . N 5 HOH 365 2365 2365 HOH HOH A . N 5 HOH 366 2366 2366 HOH HOH A . N 5 HOH 367 2367 2367 HOH HOH A . N 5 HOH 368 2368 2368 HOH HOH A . N 5 HOH 369 2369 2369 HOH HOH A . N 5 HOH 370 2370 2370 HOH HOH A . N 5 HOH 371 2371 2371 HOH HOH A . N 5 HOH 372 2372 2372 HOH HOH A . N 5 HOH 373 2373 2373 HOH HOH A . N 5 HOH 374 2374 2374 HOH HOH A . N 5 HOH 375 2375 2375 HOH HOH A . N 5 HOH 376 2376 2376 HOH HOH A . N 5 HOH 377 2377 2377 HOH HOH A . N 5 HOH 378 2378 2378 HOH HOH A . N 5 HOH 379 2379 2379 HOH HOH A . N 5 HOH 380 2380 2380 HOH HOH A . N 5 HOH 381 2381 2381 HOH HOH A . N 5 HOH 382 2382 2382 HOH HOH A . N 5 HOH 383 2383 2383 HOH HOH A . N 5 HOH 384 2384 2384 HOH HOH A . N 5 HOH 385 2385 2385 HOH HOH A . N 5 HOH 386 2386 2386 HOH HOH A . N 5 HOH 387 2387 2387 HOH HOH A . N 5 HOH 388 2388 2388 HOH HOH A . N 5 HOH 389 2389 2389 HOH HOH A . N 5 HOH 390 2390 2390 HOH HOH A . N 5 HOH 391 2391 2391 HOH HOH A . N 5 HOH 392 2392 2392 HOH HOH A . N 5 HOH 393 2393 2393 HOH HOH A . N 5 HOH 394 2394 2394 HOH HOH A . N 5 HOH 395 2395 2395 HOH HOH A . N 5 HOH 396 2396 2396 HOH HOH A . N 5 HOH 397 2397 2397 HOH HOH A . N 5 HOH 398 2398 2398 HOH HOH A . N 5 HOH 399 2399 2399 HOH HOH A . N 5 HOH 400 2400 2400 HOH HOH A . N 5 HOH 401 2401 2401 HOH HOH A . N 5 HOH 402 2402 2402 HOH HOH A . N 5 HOH 403 2403 2403 HOH HOH A . N 5 HOH 404 2404 2404 HOH HOH A . N 5 HOH 405 2405 2405 HOH HOH A . N 5 HOH 406 2406 2406 HOH HOH A . N 5 HOH 407 2407 2407 HOH HOH A . N 5 HOH 408 2408 2408 HOH HOH A . N 5 HOH 409 2409 2409 HOH HOH A . N 5 HOH 410 2410 2410 HOH HOH A . N 5 HOH 411 2411 2411 HOH HOH A . N 5 HOH 412 2412 2412 HOH HOH A . N 5 HOH 413 2413 2413 HOH HOH A . N 5 HOH 414 2414 2414 HOH HOH A . N 5 HOH 415 2415 2415 HOH HOH A . N 5 HOH 416 2416 2416 HOH HOH A . N 5 HOH 417 2417 2417 HOH HOH A . N 5 HOH 418 2418 2418 HOH HOH A . N 5 HOH 419 2419 2419 HOH HOH A . N 5 HOH 420 2420 2420 HOH HOH A . N 5 HOH 421 2421 2421 HOH HOH A . N 5 HOH 422 2422 2422 HOH HOH A . N 5 HOH 423 2423 2423 HOH HOH A . N 5 HOH 424 2424 2424 HOH HOH A . N 5 HOH 425 2425 2425 HOH HOH A . N 5 HOH 426 2426 2426 HOH HOH A . N 5 HOH 427 2427 2427 HOH HOH A . N 5 HOH 428 2428 2428 HOH HOH A . N 5 HOH 429 2429 2429 HOH HOH A . N 5 HOH 430 2430 2430 HOH HOH A . N 5 HOH 431 2431 2431 HOH HOH A . N 5 HOH 432 2432 2432 HOH HOH A . N 5 HOH 433 2433 2433 HOH HOH A . N 5 HOH 434 2434 2434 HOH HOH A . N 5 HOH 435 2435 2435 HOH HOH A . N 5 HOH 436 2436 2436 HOH HOH A . N 5 HOH 437 2437 2437 HOH HOH A . N 5 HOH 438 2438 2438 HOH HOH A . N 5 HOH 439 2439 2439 HOH HOH A . N 5 HOH 440 2440 2440 HOH HOH A . N 5 HOH 441 2441 2441 HOH HOH A . N 5 HOH 442 2442 2442 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 97 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 100 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _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,E,F,G,H,I,J,K,L,M,N # _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 2012-12-12 2 'Structure model' 1 1 2013-05-01 3 'Structure model' 1 2 2013-05-15 4 'Structure model' 1 3 2018-01-17 # _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 ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' 3 4 'Structure model' 'Data collection' 4 4 'Structure model' 'Database references' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' citation 2 4 'Structure model' citation_author 3 4 'Structure model' diffrn_source # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_citation.page_last' 2 4 'Structure model' '_citation_author.name' 3 4 'Structure model' '_diffrn_source.pdbx_synchrotron_site' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal _software.date _software.type _software.location _software.language PHENIX refinement '(PHENIX.REFINE)' ? 1 ? ? ? ? XDS 'data reduction' . ? 2 ? ? ? ? XSCALE 'data scaling' . ? 3 ? ? ? ? PHENIX phasing . ? 4 ? ? ? ? # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. ; # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 ND2 _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 ASN _pdbx_validate_close_contact.auth_seq_id_1 100 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O5 _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 NAG _pdbx_validate_close_contact.auth_seq_id_2 500 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 1.96 # 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 TYR A 134 ? ? 75.06 -1.63 2 1 GLN A 162 ? ? 35.88 87.58 3 1 SER A 164 ? ? -164.42 -37.03 4 1 GLN A 189 ? ? -138.32 -76.98 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 2080 ? 6.25 . 2 1 O ? A HOH 2196 ? 6.09 . # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A ALA 4 ? A ALA 1 2 1 Y 1 A ARG 5 ? A ARG 2 3 1 Y 1 A GLU 6 ? A GLU 3 4 1 Y 1 A PRO 7 ? A PRO 4 5 1 Y 1 A LEU 8 ? A LEU 5 6 1 Y 1 A THR 9 ? A THR 6 7 1 Y 1 A SER 10 ? A SER 7 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'SULFATE ION' SO4 4 GLYCEROL GOL 5 water HOH #