data_3SI2 # _entry.id 3SI2 # _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 3SI2 RCSB RCSB066228 WWPDB D_1000066228 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3SI1 'Structure of glycosylated murine glutaminyl cyclase' unspecified PDB 3SI0 'Structure of glycosylated human glutaminyl cyclase' unspecified # _pdbx_database_status.entry_id 3SI2 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2011-06-17 _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Parthier, C.' 1 'Carrillo, D.' 2 'Stubbs, M.T.' 3 # _citation.id primary _citation.title 'Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.' _citation.journal_abbrev Biochemistry _citation.journal_volume 50 _citation.page_first 6280 _citation.page_last 6288 _citation.year 2011 _citation.journal_id_ASTM BICHAW _citation.country US _citation.journal_id_ISSN 0006-2960 _citation.journal_id_CSD 0033 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21671571 _citation.pdbx_database_id_DOI 10.1021/bi200249h # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ruiz-Carrillo, D.' 1 primary 'Koch, B.' 2 primary 'Parthier, C.' 3 primary 'Wermann, M.' 4 primary 'Dambe, T.' 5 primary 'Buchholz, M.' 6 primary 'Ludwig, H.H.' 7 primary 'Heiser, U.' 8 primary 'Rahfeld, J.U.' 9 primary 'Stubbs, M.T.' 10 primary 'Schilling, S.' 11 primary 'Demuth, H.U.' 12 # _cell.length_a 41.760 _cell.length_b 83.060 _cell.length_c 95.710 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 90.000 _cell.entry_id 3SI2 _cell.pdbx_unique_axis ? _cell.Z_PDB 4 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.entry_id 3SI2 _symmetry.Int_Tables_number 19 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # 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 'Glutaminyl-peptide cyclotransferase' 37577.477 1 2.3.2.5 ? 'UNP residues 36-362' ? 2 non-polymer syn 'ZINC ION' 65.409 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 3 ? ? ? ? 4 non-polymer syn '1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea' 320.410 1 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 6 non-polymer syn 'ACETATE ION' 59.044 1 ? ? ? ? 7 water nat water 18.015 342 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Glutaminyl cyclase, QC, Glutaminyl-tRNA cyclotransferase' # _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 ;AWTQEKNHHQPAHLNSSSLQQVAEGTSISEMWQNDLRPLLIERYPGSPGSYSARQHIMQRIQRLQAEWVVEVDTFLSRTP YGYRSFSNIISTLNPEAKRHLVLACHYDSKYFPRWDSRVFVGATDSAVPCAMMLELARALDKKLHSLKDVSGSKPDLSLQ LIFFDGEEAFHHWSPQDSLYGSRHLAQKMASSPHPPGSRGTNQLDGMDLLVLLDLIGAANPTFPNFFPKTTRWFNRLQAI EKELYELGLLKDHSLERKYFQNFGYGNIIQDDHIPFLRKGVPVLHLIASPFPEVWHTMDDNEENLHASTIDNLNKIIQVF VLEYLHL ; _entity_poly.pdbx_seq_one_letter_code_can ;AWTQEKNHHQPAHLNSSSLQQVAEGTSISEMWQNDLRPLLIERYPGSPGSYSARQHIMQRIQRLQAEWVVEVDTFLSRTP YGYRSFSNIISTLNPEAKRHLVLACHYDSKYFPRWDSRVFVGATDSAVPCAMMLELARALDKKLHSLKDVSGSKPDLSLQ LIFFDGEEAFHHWSPQDSLYGSRHLAQKMASSPHPPGSRGTNQLDGMDLLVLLDLIGAANPTFPNFFPKTTRWFNRLQAI EKELYELGLLKDHSLERKYFQNFGYGNIIQDDHIPFLRKGVPVLHLIASPFPEVWHTMDDNEENLHASTIDNLNKIIQVF VLEYLHL ; _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 TRP n 1 3 THR n 1 4 GLN n 1 5 GLU n 1 6 LYS n 1 7 ASN n 1 8 HIS n 1 9 HIS n 1 10 GLN n 1 11 PRO n 1 12 ALA n 1 13 HIS n 1 14 LEU n 1 15 ASN n 1 16 SER n 1 17 SER n 1 18 SER n 1 19 LEU n 1 20 GLN n 1 21 GLN n 1 22 VAL n 1 23 ALA n 1 24 GLU n 1 25 GLY n 1 26 THR n 1 27 SER n 1 28 ILE n 1 29 SER n 1 30 GLU n 1 31 MET n 1 32 TRP n 1 33 GLN n 1 34 ASN n 1 35 ASP n 1 36 LEU n 1 37 ARG n 1 38 PRO n 1 39 LEU n 1 40 LEU n 1 41 ILE n 1 42 GLU n 1 43 ARG n 1 44 TYR n 1 45 PRO n 1 46 GLY n 1 47 SER n 1 48 PRO n 1 49 GLY n 1 50 SER n 1 51 TYR n 1 52 SER n 1 53 ALA n 1 54 ARG n 1 55 GLN n 1 56 HIS n 1 57 ILE n 1 58 MET n 1 59 GLN n 1 60 ARG n 1 61 ILE n 1 62 GLN n 1 63 ARG n 1 64 LEU n 1 65 GLN n 1 66 ALA n 1 67 GLU n 1 68 TRP n 1 69 VAL n 1 70 VAL n 1 71 GLU n 1 72 VAL n 1 73 ASP n 1 74 THR n 1 75 PHE n 1 76 LEU n 1 77 SER n 1 78 ARG n 1 79 THR n 1 80 PRO n 1 81 TYR n 1 82 GLY n 1 83 TYR n 1 84 ARG n 1 85 SER n 1 86 PHE n 1 87 SER n 1 88 ASN n 1 89 ILE n 1 90 ILE n 1 91 SER n 1 92 THR n 1 93 LEU n 1 94 ASN n 1 95 PRO n 1 96 GLU n 1 97 ALA n 1 98 LYS n 1 99 ARG n 1 100 HIS n 1 101 LEU n 1 102 VAL n 1 103 LEU n 1 104 ALA n 1 105 CYS n 1 106 HIS n 1 107 TYR n 1 108 ASP n 1 109 SER n 1 110 LYS n 1 111 TYR n 1 112 PHE n 1 113 PRO n 1 114 ARG n 1 115 TRP n 1 116 ASP n 1 117 SER n 1 118 ARG n 1 119 VAL n 1 120 PHE n 1 121 VAL n 1 122 GLY n 1 123 ALA n 1 124 THR n 1 125 ASP n 1 126 SER n 1 127 ALA n 1 128 VAL n 1 129 PRO n 1 130 CYS n 1 131 ALA n 1 132 MET n 1 133 MET n 1 134 LEU n 1 135 GLU n 1 136 LEU n 1 137 ALA n 1 138 ARG n 1 139 ALA n 1 140 LEU n 1 141 ASP n 1 142 LYS n 1 143 LYS n 1 144 LEU n 1 145 HIS n 1 146 SER n 1 147 LEU n 1 148 LYS n 1 149 ASP n 1 150 VAL n 1 151 SER n 1 152 GLY n 1 153 SER n 1 154 LYS n 1 155 PRO n 1 156 ASP n 1 157 LEU n 1 158 SER n 1 159 LEU n 1 160 GLN n 1 161 LEU n 1 162 ILE n 1 163 PHE n 1 164 PHE n 1 165 ASP n 1 166 GLY n 1 167 GLU n 1 168 GLU n 1 169 ALA n 1 170 PHE n 1 171 HIS n 1 172 HIS n 1 173 TRP n 1 174 SER n 1 175 PRO n 1 176 GLN n 1 177 ASP n 1 178 SER n 1 179 LEU n 1 180 TYR n 1 181 GLY n 1 182 SER n 1 183 ARG n 1 184 HIS n 1 185 LEU n 1 186 ALA n 1 187 GLN n 1 188 LYS n 1 189 MET n 1 190 ALA n 1 191 SER n 1 192 SER n 1 193 PRO n 1 194 HIS n 1 195 PRO n 1 196 PRO n 1 197 GLY n 1 198 SER n 1 199 ARG n 1 200 GLY n 1 201 THR n 1 202 ASN n 1 203 GLN n 1 204 LEU n 1 205 ASP n 1 206 GLY n 1 207 MET n 1 208 ASP n 1 209 LEU n 1 210 LEU n 1 211 VAL n 1 212 LEU n 1 213 LEU n 1 214 ASP n 1 215 LEU n 1 216 ILE n 1 217 GLY n 1 218 ALA n 1 219 ALA n 1 220 ASN n 1 221 PRO n 1 222 THR n 1 223 PHE n 1 224 PRO n 1 225 ASN n 1 226 PHE n 1 227 PHE n 1 228 PRO n 1 229 LYS n 1 230 THR n 1 231 THR n 1 232 ARG n 1 233 TRP n 1 234 PHE n 1 235 ASN n 1 236 ARG n 1 237 LEU n 1 238 GLN n 1 239 ALA n 1 240 ILE n 1 241 GLU n 1 242 LYS n 1 243 GLU n 1 244 LEU n 1 245 TYR n 1 246 GLU n 1 247 LEU n 1 248 GLY n 1 249 LEU n 1 250 LEU n 1 251 LYS n 1 252 ASP n 1 253 HIS n 1 254 SER n 1 255 LEU n 1 256 GLU n 1 257 ARG n 1 258 LYS n 1 259 TYR n 1 260 PHE n 1 261 GLN n 1 262 ASN n 1 263 PHE n 1 264 GLY n 1 265 TYR n 1 266 GLY n 1 267 ASN n 1 268 ILE n 1 269 ILE n 1 270 GLN n 1 271 ASP n 1 272 ASP n 1 273 HIS n 1 274 ILE n 1 275 PRO n 1 276 PHE n 1 277 LEU n 1 278 ARG n 1 279 LYS n 1 280 GLY n 1 281 VAL n 1 282 PRO n 1 283 VAL n 1 284 LEU n 1 285 HIS n 1 286 LEU n 1 287 ILE n 1 288 ALA n 1 289 SER n 1 290 PRO n 1 291 PHE n 1 292 PRO n 1 293 GLU n 1 294 VAL n 1 295 TRP n 1 296 HIS n 1 297 THR n 1 298 MET n 1 299 ASP n 1 300 ASP n 1 301 ASN n 1 302 GLU n 1 303 GLU n 1 304 ASN n 1 305 LEU n 1 306 HIS n 1 307 ALA n 1 308 SER n 1 309 THR n 1 310 ILE n 1 311 ASP n 1 312 ASN n 1 313 LEU n 1 314 ASN n 1 315 LYS n 1 316 ILE n 1 317 ILE n 1 318 GLN n 1 319 VAL n 1 320 PHE n 1 321 VAL n 1 322 LEU n 1 323 GLU n 1 324 TYR n 1 325 LEU n 1 326 HIS n 1 327 LEU 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 mouse _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene Qpct _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 'Mus musculus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _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 'Pichia pastoris' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 4922 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain X33 _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 pPICZalphaB _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code B2RX76_MOUSE _struct_ref.pdbx_db_accession B2RX76 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;AWTQEKNHHQPAHLNSSSLQQVAEGTSISEMWQNDLRPLLIERYPGSPGSYSARQHIMQRIQRLQAEWVVEVDTFLSRTP YGYRSFSNIISTLNPEAKRHLVLACHYDSKYFPRWDSRVFVGATDSAVPCAMMLELARALDKKLHSLKDVSGSKPDLSLQ LIFFDGEEAFHHWSPQDSLYGSRHLAQKMASSPHPPGSRGTNQLDGMDLLVLLDLIGAANPTFPNFFPKTTRWFNRLQAI EKELYELGLLKDHSLERKYFQNFGYGNIIQDDHIPFLRKGVPVLHLIASPFPEVWHTMDDNEENLHASTIDNLNKIIQVF VLEYLHL ; _struct_ref.pdbx_align_begin 36 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3SI2 _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 327 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession B2RX76 _struct_ref_seq.db_align_beg 36 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 362 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 36 _struct_ref_seq.pdbx_auth_seq_align_end 362 # 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 ACT non-polymer . 'ACETATE ION' ? 'C2 H3 O2 -1' 59.044 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PBD non-polymer . '1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea' ? 'C15 H20 N4 O2 S' 320.410 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 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.crystals_number 1 _exptl.entry_id 3SI2 _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 2.21 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 44.46 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.pH 5.3 _exptl_crystal_grow.temp 294 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_details '100 mM sodium acetate, 200 mM ammonium sulfate, 12% w/v PEG2000 MME, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K' _exptl_crystal_grow.pdbx_pH_range ? # _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 'RAYONIX MX-225' _diffrn_detector.pdbx_collection_date 2008-06-03 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator 'BL 14.1' _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9184 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'BESSY BEAMLINE 14.1' _diffrn_source.pdbx_wavelength 0.9184 _diffrn_source.pdbx_wavelength_list ? _diffrn_source.pdbx_synchrotron_site BESSY _diffrn_source.pdbx_synchrotron_beamline 14.1 # _reflns.entry_id 3SI2 _reflns.d_resolution_high 1.80 _reflns.number_obs 31576 _reflns.pdbx_Rmerge_I_obs 0.107 _reflns.pdbx_netI_over_sigmaI 13.3 _reflns.percent_possible_obs 99.8 _reflns.B_iso_Wilson_estimate 25.495 _reflns.observed_criterion_sigma_I -3.0 _reflns.observed_criterion_sigma_F 3 _reflns.d_resolution_low 30 _reflns.number_all 31637 _reflns.pdbx_Rsym_value ? _reflns.pdbx_redundancy 5.7 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 1.800 1.900 26654 ? 4679 0.819 2.330 ? ? ? ? ? 99.900 1 1 1.900 2.000 21529 ? 3743 0.521 3.580 ? ? ? ? ? 99.900 2 1 2.000 2.100 17660 ? 3092 0.370 5.100 ? ? ? ? ? 100.000 3 1 2.100 2.200 14778 ? 2583 0.278 6.530 ? ? ? ? ? 99.900 4 1 2.200 2.660 42685 ? 7457 0.156 11.120 ? ? ? ? ? 100.000 5 1 2.660 3.120 21380 ? 3739 0.078 19.710 ? ? ? ? ? 100.000 6 1 3.120 3.580 11786 ? 2088 0.053 27.310 ? ? ? ? ? 100.000 7 1 3.580 4.040 6990 ? 1250 0.043 32.910 ? ? ? ? ? 99.800 8 1 4.040 4.500 4426 ? 796 0.035 36.350 ? ? ? ? ? 100.000 9 1 4.500 10.000 10596 ? 1965 0.034 36.900 ? ? ? ? ? 100.000 10 1 10.000 20.000 804 ? 184 0.025 37.400 ? ? ? ? ? 93.400 11 1 20.000 30.000 ? ? ? ? ? ? ? ? ? ? ? 12 1 30.000 ? ? ? ? ? ? ? ? ? ? ? ? 13 1 # _refine.entry_id 3SI2 _refine.ls_d_res_high 1.80 _refine.ls_d_res_low 19.05 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 100.0 _refine.ls_number_reflns_obs 31574 _refine.ls_number_reflns_all 31574 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_R_Free_selection_details RANDOM _refine.details ;HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY ; _refine.ls_R_factor_all 0.1881 _refine.ls_R_factor_obs 0.1881 _refine.ls_R_factor_R_work 0.1844 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2597 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 5.0000 _refine.ls_number_reflns_R_free 1579 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 21.3925 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] -0.0300 _refine.aniso_B[2][2] -0.0300 _refine.aniso_B[3][3] 0.0500 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.correlation_coeff_Fo_to_Fc 0.9550 _refine.correlation_coeff_Fo_to_Fc_free 0.9130 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R_Free 0.1510 _refine.overall_SU_ML 0.1040 _refine.overall_SU_B 3.3470 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.4000 _refine.pdbx_solvent_ion_probe_radii 0.8000 _refine.pdbx_solvent_shrinkage_radii 0.8000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 'PDB ENTRY 3SI1' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 80.060 _refine.B_iso_min 6.120 _refine.pdbx_overall_phase_error ? _refine.occupancy_max 1.000 _refine.occupancy_min 1.000 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R 0.139 _refine.pdbx_TLS_residual_ADP_flag ? _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 2622 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 74 _refine_hist.number_atoms_solvent 342 _refine_hist.number_atoms_total 3038 _refine_hist.d_res_high 1.80 _refine_hist.d_res_low 19.05 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 2775 0.022 0.021 ? ? 'X-RAY DIFFRACTION' r_angle_refined_deg 3773 2.224 1.972 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 320 6.143 5.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 137 34.695 23.796 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 445 13.107 15.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 17 16.486 15.000 ? ? 'X-RAY DIFFRACTION' r_chiral_restr 404 0.129 0.200 ? ? 'X-RAY DIFFRACTION' r_gen_planes_refined 2137 0.011 0.021 ? ? 'X-RAY DIFFRACTION' r_mcbond_it 1620 1.214 1.500 ? ? 'X-RAY DIFFRACTION' r_mcangle_it 2613 2.011 2.000 ? ? 'X-RAY DIFFRACTION' r_scbond_it 1155 3.344 3.000 ? ? 'X-RAY DIFFRACTION' r_scangle_it 1157 4.915 4.500 ? ? 'X-RAY DIFFRACTION' # _refine_ls_shell.d_res_high 1.800 _refine_ls_shell.d_res_low 1.846 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 100.0 _refine_ls_shell.number_reflns_R_work 2146 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.2850 _refine_ls_shell.R_factor_R_free 0.4080 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 114 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 2260 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3SI2 _struct.title 'Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150)' _struct.pdbx_descriptor 'Glutaminyl-peptide cyclotransferase (E.C.2.3.2.5)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3SI2 _struct_keywords.pdbx_keywords 'TRANSFERASE/TRANSFERASE INHIBITOR' _struct_keywords.text ;alpha/beta hydrolase, Alzheimer's disease, pyroglutamate, pGlu, pE, pGlu-amyloid, glycosylation, glycoprotein, TRANSFERASE-TRANSFERASE INHIBITOR complex ; # 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 4 ? G N N 5 ? H N N 6 ? I N N 7 ? # _struct_biol.id 1 _struct_biol.details ? # 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 ALA A 1 ? HIS A 9 ? ALA A 36 HIS A 44 5 ? 9 HELX_P HELX_P2 2 ASN A 15 ? THR A 26 ? ASN A 50 THR A 61 1 ? 12 HELX_P HELX_P3 3 SER A 27 ? ASP A 35 ? SER A 62 ASP A 70 1 ? 9 HELX_P HELX_P4 4 LEU A 36 ? LEU A 40 ? LEU A 71 LEU A 75 5 ? 5 HELX_P HELX_P5 5 SER A 47 ? ARG A 63 ? SER A 82 ARG A 98 1 ? 17 HELX_P HELX_P6 6 SER A 126 ? LEU A 140 ? SER A 161 LEU A 175 1 ? 15 HELX_P HELX_P7 7 LEU A 140 ? SER A 146 ? LEU A 175 SER A 181 1 ? 7 HELX_P HELX_P8 8 LEU A 147 ? ASP A 149 ? LEU A 182 ASP A 184 5 ? 3 HELX_P HELX_P9 9 LEU A 179 ? SER A 191 ? LEU A 214 SER A 226 1 ? 13 HELX_P HELX_P10 10 ASN A 202 ? GLY A 206 ? ASN A 237 GLY A 241 1 ? 5 HELX_P HELX_P11 11 PHE A 227 ? LYS A 229 ? PHE A 262 LYS A 264 5 ? 3 HELX_P HELX_P12 12 THR A 230 ? LEU A 247 ? THR A 265 LEU A 282 1 ? 18 HELX_P HELX_P13 13 SER A 254 ? LYS A 258 ? SER A 289 LYS A 293 5 ? 5 HELX_P HELX_P14 14 HIS A 273 ? ARG A 278 ? HIS A 308 ARG A 313 1 ? 6 HELX_P HELX_P15 15 ASN A 301 ? LEU A 305 ? ASN A 336 LEU A 340 5 ? 5 HELX_P HELX_P16 16 HIS A 306 ? HIS A 326 ? HIS A 341 HIS A 361 1 ? 21 # _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 105 SG ? ? ? 1_555 A CYS 130 SG ? ? A CYS 140 A CYS 165 1_555 ? ? ? ? ? ? ? 2.095 ? covale1 covale ? ? A ASN 15 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 50 A NAG 701 1_555 ? ? ? ? ? ? ? 1.422 ? covale2 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 701 A NAG 702 1_555 ? ? ? ? ? ? ? 1.442 ? covale3 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 702 A NAG 703 1_555 ? ? ? ? ? ? ? 1.453 ? metalc1 metalc ? ? A GLU 168 OE2 ? ? ? 1_555 B ZN . ZN ? ? A GLU 203 A ZN 601 1_555 ? ? ? ? ? ? ? 1.812 ? metalc2 metalc ? ? A ASP 125 OD2 ? ? ? 1_555 B ZN . ZN ? ? A ASP 160 A ZN 601 1_555 ? ? ? ? ? ? ? 1.915 ? metalc3 metalc ? ? B ZN . ZN ? ? ? 1_555 F PBD . NAM ? ? A ZN 601 A PBD 999 1_555 ? ? ? ? ? ? ? 1.962 ? metalc4 metalc ? ? A HIS 296 NE2 ? ? ? 1_555 B ZN . ZN ? ? A HIS 331 A ZN 601 1_555 ? ? ? ? ? ? ? 2.055 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # 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 ASP 125 A . ? ASP 160 A SER 126 A ? SER 161 A 1 4.79 2 HIS 194 A . ? HIS 229 A PRO 195 A ? PRO 230 A 1 -1.54 3 SER 289 A . ? SER 324 A PRO 290 A ? PRO 325 A 1 10.66 # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 6 _struct_sheet.details ? # 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 A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? parallel A 4 5 ? parallel A 5 6 ? 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 A 1 TRP A 68 ? THR A 79 ? TRP A 103 THR A 114 A 2 GLY A 82 ? LEU A 93 ? GLY A 117 LEU A 128 A 3 LEU A 157 ? PHE A 164 ? LEU A 192 PHE A 199 A 4 ARG A 99 ? HIS A 106 ? ARG A 134 HIS A 141 A 5 MET A 207 ? ASP A 214 ? MET A 242 ASP A 249 A 6 VAL A 283 ? ILE A 287 ? VAL A 318 ILE A 322 # 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 A 1 2 N GLU A 71 ? N GLU A 106 O ILE A 90 ? O ILE A 125 A 2 3 N SER A 91 ? N SER A 126 O LEU A 161 ? O LEU A 196 A 3 4 O PHE A 164 ? O PHE A 199 N CYS A 105 ? N CYS A 140 A 4 5 N VAL A 102 ? N VAL A 137 O VAL A 211 ? O VAL A 246 A 5 6 N LEU A 210 ? N LEU A 245 O LEU A 284 ? O LEU A 319 # 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 ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 601' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 701' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 702' AC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 703' AC5 Software ? ? ? ? 18 'BINDING SITE FOR RESIDUE PBD A 999' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 1' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE ACT A 2' # 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 4 ASP A 125 ? ASP A 160 . ? 1_555 ? 2 AC1 4 GLU A 168 ? GLU A 203 . ? 1_555 ? 3 AC1 4 HIS A 296 ? HIS A 331 . ? 1_555 ? 4 AC1 4 PBD F . ? PBD A 999 . ? 1_555 ? 5 AC2 4 ASN A 15 ? ASN A 50 . ? 1_555 ? 6 AC2 4 SER A 18 ? SER A 53 . ? 1_555 ? 7 AC2 4 HOH I . ? HOH A 458 . ? 1_555 ? 8 AC2 4 NAG D . ? NAG A 702 . ? 1_555 ? 9 AC3 4 ARG A 78 ? ARG A 113 . ? 3_554 ? 10 AC3 4 TYR A 83 ? TYR A 118 . ? 3_554 ? 11 AC3 4 NAG C . ? NAG A 701 . ? 1_555 ? 12 AC3 4 NAG E . ? NAG A 703 . ? 1_555 ? 13 AC4 1 NAG D . ? NAG A 702 . ? 1_555 ? 14 AC5 18 ARG A 114 ? ARG A 149 . ? 4_545 ? 15 AC5 18 TRP A 115 ? TRP A 150 . ? 4_545 ? 16 AC5 18 ASP A 116 ? ASP A 151 . ? 4_545 ? 17 AC5 18 SER A 117 ? SER A 152 . ? 4_545 ? 18 AC5 18 ASP A 125 ? ASP A 160 . ? 1_555 ? 19 AC5 18 GLU A 167 ? GLU A 202 . ? 1_555 ? 20 AC5 18 GLU A 168 ? GLU A 203 . ? 1_555 ? 21 AC5 18 TRP A 173 ? TRP A 208 . ? 1_555 ? 22 AC5 18 ASP A 214 ? ASP A 249 . ? 1_555 ? 23 AC5 18 ASN A 267 ? ASN A 302 . ? 1_555 ? 24 AC5 18 ILE A 269 ? ILE A 304 . ? 1_555 ? 25 AC5 18 GLN A 270 ? GLN A 305 . ? 1_555 ? 26 AC5 18 SER A 289 ? SER A 324 . ? 1_555 ? 27 AC5 18 PHE A 291 ? PHE A 326 . ? 1_555 ? 28 AC5 18 TRP A 295 ? TRP A 330 . ? 1_555 ? 29 AC5 18 HIS A 296 ? HIS A 331 . ? 1_555 ? 30 AC5 18 HOH I . ? HOH A 550 . ? 1_555 ? 31 AC5 18 ZN B . ? ZN A 601 . ? 1_555 ? 32 AC6 3 ARG A 63 ? ARG A 98 . ? 1_555 ? 33 AC6 3 ARG A 138 ? ARG A 173 . ? 1_555 ? 34 AC6 3 HOH I . ? HOH A 530 . ? 1_555 ? 35 AC7 3 ARG A 37 ? ARG A 72 . ? 3_544 ? 36 AC7 3 SER A 198 ? SER A 233 . ? 1_555 ? 37 AC7 3 ARG A 199 ? ARG A 234 . ? 1_555 ? # _atom_sites.entry_id 3SI2 _atom_sites.fract_transf_matrix[1][1] 0.023946 _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] 0.012039 _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] 0.010448 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C N O S ZN # 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 . ALA A 1 1 ? 6.064 -34.738 -44.153 1.00 36.45 ? 36 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? 5.067 -34.888 -43.056 1.00 36.24 ? 36 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? 5.041 -33.565 -42.283 1.00 36.23 ? 36 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? 6.099 -32.918 -42.127 1.00 35.17 ? 36 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? 5.432 -36.039 -42.160 1.00 36.84 ? 36 ALA A CB 1 ATOM 6 N N . TRP A 1 2 ? 3.843 -33.148 -41.859 1.00 34.86 ? 37 TRP A N 1 ATOM 7 C CA . TRP A 1 2 ? 3.678 -31.786 -41.313 1.00 35.15 ? 37 TRP A CA 1 ATOM 8 C C . TRP A 1 2 ? 4.282 -31.644 -39.930 1.00 34.79 ? 37 TRP A C 1 ATOM 9 O O . TRP A 1 2 ? 4.669 -30.543 -39.532 1.00 33.94 ? 37 TRP A O 1 ATOM 10 C CB . TRP A 1 2 ? 2.233 -31.393 -41.193 1.00 33.86 ? 37 TRP A CB 1 ATOM 11 C CG . TRP A 1 2 ? 1.428 -32.121 -40.148 1.00 32.40 ? 37 TRP A CG 1 ATOM 12 C CD1 . TRP A 1 2 ? 0.557 -33.135 -40.369 1.00 31.45 ? 37 TRP A CD1 1 ATOM 13 C CD2 . TRP A 1 2 ? 1.346 -31.815 -38.735 1.00 28.53 ? 37 TRP A CD2 1 ATOM 14 N NE1 . TRP A 1 2 ? -0.052 -33.495 -39.196 1.00 31.57 ? 37 TRP A NE1 1 ATOM 15 C CE2 . TRP A 1 2 ? 0.430 -32.716 -38.170 1.00 29.53 ? 37 TRP A CE2 1 ATOM 16 C CE3 . TRP A 1 2 ? 1.971 -30.866 -37.905 1.00 26.55 ? 37 TRP A CE3 1 ATOM 17 C CZ2 . TRP A 1 2 ? 0.102 -32.699 -36.796 1.00 29.73 ? 37 TRP A CZ2 1 ATOM 18 C CZ3 . TRP A 1 2 ? 1.688 -30.867 -36.545 1.00 24.66 ? 37 TRP A CZ3 1 ATOM 19 C CH2 . TRP A 1 2 ? 0.739 -31.759 -36.000 1.00 25.36 ? 37 TRP A CH2 1 ATOM 20 N N . THR A 1 3 ? 4.300 -32.763 -39.208 1.00 34.87 ? 38 THR A N 1 ATOM 21 C CA . THR A 1 3 ? 4.847 -32.844 -37.856 1.00 35.33 ? 38 THR A CA 1 ATOM 22 C C . THR A 1 3 ? 6.310 -32.474 -37.872 1.00 35.48 ? 38 THR A C 1 ATOM 23 O O . THR A 1 3 ? 6.830 -31.980 -36.896 1.00 37.30 ? 38 THR A O 1 ATOM 24 C CB . THR A 1 3 ? 4.725 -34.244 -37.302 1.00 35.40 ? 38 THR A CB 1 ATOM 25 O OG1 . THR A 1 3 ? 5.280 -35.167 -38.252 1.00 36.80 ? 38 THR A OG1 1 ATOM 26 C CG2 . THR A 1 3 ? 3.296 -34.582 -37.067 1.00 34.48 ? 38 THR A CG2 1 ATOM 27 N N . GLN A 1 4 ? 6.946 -32.658 -39.017 1.00 35.68 ? 39 GLN A N 1 ATOM 28 C CA . GLN A 1 4 ? 8.356 -32.410 -39.217 1.00 34.87 ? 39 GLN A CA 1 ATOM 29 C C . GLN A 1 4 ? 8.594 -30.922 -39.521 1.00 33.64 ? 39 GLN A C 1 ATOM 30 O O . GLN A 1 4 ? 9.718 -30.450 -39.505 1.00 33.87 ? 39 GLN A O 1 ATOM 31 C CB . GLN A 1 4 ? 8.784 -33.341 -40.376 1.00 36.20 ? 39 GLN A CB 1 ATOM 32 C CG . GLN A 1 4 ? 10.225 -33.786 -40.524 1.00 40.19 ? 39 GLN A CG 1 ATOM 33 C CD . GLN A 1 4 ? 10.985 -33.996 -39.221 1.00 44.95 ? 39 GLN A CD 1 ATOM 34 O OE1 . GLN A 1 4 ? 10.489 -34.619 -38.284 1.00 46.77 ? 39 GLN A OE1 1 ATOM 35 N NE2 . GLN A 1 4 ? 12.228 -33.497 -39.179 1.00 49.22 ? 39 GLN A NE2 1 ATOM 36 N N . GLU A 1 5 ? 7.545 -30.150 -39.775 1.00 32.85 ? 40 GLU A N 1 ATOM 37 C CA . GLU A 1 5 ? 7.748 -28.719 -40.143 1.00 31.37 ? 40 GLU A CA 1 ATOM 38 C C . GLU A 1 5 ? 8.418 -27.851 -39.063 1.00 30.98 ? 40 GLU A C 1 ATOM 39 O O . GLU A 1 5 ? 9.215 -26.938 -39.366 1.00 29.38 ? 40 GLU A O 1 ATOM 40 C CB . GLU A 1 5 ? 6.432 -28.067 -40.558 1.00 31.06 ? 40 GLU A CB 1 ATOM 41 C CG . GLU A 1 5 ? 5.994 -28.464 -41.978 1.00 32.02 ? 40 GLU A CG 1 ATOM 42 C CD . GLU A 1 5 ? 4.531 -28.138 -42.267 1.00 35.44 ? 40 GLU A CD 1 ATOM 43 O OE1 . GLU A 1 5 ? 3.973 -27.166 -41.665 1.00 33.45 ? 40 GLU A OE1 1 ATOM 44 O OE2 . GLU A 1 5 ? 3.953 -28.869 -43.117 1.00 37.73 ? 40 GLU A OE2 1 ATOM 45 N N . LYS A 1 6 ? 8.122 -28.172 -37.800 1.00 30.77 ? 41 LYS A N 1 ATOM 46 C CA . LYS A 1 6 ? 8.674 -27.389 -36.689 1.00 30.91 ? 41 LYS A CA 1 ATOM 47 C C . LYS A 1 6 ? 10.162 -27.430 -36.762 1.00 31.43 ? 41 LYS A C 1 ATOM 48 O O . LYS A 1 6 ? 10.835 -26.470 -36.377 1.00 30.34 ? 41 LYS A O 1 ATOM 49 C CB . LYS A 1 6 ? 8.234 -27.916 -35.345 1.00 29.89 ? 41 LYS A CB 1 ATOM 50 C CG . LYS A 1 6 ? 8.512 -29.406 -35.088 1.00 30.39 ? 41 LYS A CG 1 ATOM 51 C CD . LYS A 1 6 ? 7.833 -29.774 -33.830 1.00 33.44 ? 41 LYS A CD 1 ATOM 52 C CE . LYS A 1 6 ? 7.485 -31.229 -33.727 1.00 34.90 ? 41 LYS A CE 1 ATOM 53 N NZ . LYS A 1 6 ? 8.726 -31.936 -33.480 1.00 35.81 ? 41 LYS A NZ 1 ATOM 54 N N . ASN A 1 7 ? 10.683 -28.539 -37.284 1.00 32.32 ? 42 ASN A N 1 ATOM 55 C CA . ASN A 1 7 ? 12.123 -28.753 -37.305 1.00 33.13 ? 42 ASN A CA 1 ATOM 56 C C . ASN A 1 7 ? 12.817 -27.906 -38.311 1.00 33.35 ? 42 ASN A C 1 ATOM 57 O O . ASN A 1 7 ? 14.019 -27.685 -38.215 1.00 34.80 ? 42 ASN A O 1 ATOM 58 C CB . ASN A 1 7 ? 12.444 -30.245 -37.479 1.00 33.76 ? 42 ASN A CB 1 ATOM 59 C CG . ASN A 1 7 ? 11.851 -31.062 -36.372 1.00 35.97 ? 42 ASN A CG 1 ATOM 60 O OD1 . ASN A 1 7 ? 11.070 -31.980 -36.611 1.00 38.72 ? 42 ASN A OD1 1 ATOM 61 N ND2 . ASN A 1 7 ? 12.157 -30.671 -35.115 1.00 38.55 ? 42 ASN A ND2 1 ATOM 62 N N . HIS A 1 8 ? 12.072 -27.375 -39.261 1.00 32.65 ? 43 HIS A N 1 ATOM 63 C CA . HIS A 1 8 ? 12.716 -26.584 -40.284 1.00 32.70 ? 43 HIS A CA 1 ATOM 64 C C . HIS A 1 8 ? 12.190 -25.182 -40.264 1.00 30.96 ? 43 HIS A C 1 ATOM 65 O O . HIS A 1 8 ? 12.538 -24.358 -41.105 1.00 31.40 ? 43 HIS A O 1 ATOM 66 C CB . HIS A 1 8 ? 12.520 -27.269 -41.656 1.00 34.43 ? 43 HIS A CB 1 ATOM 67 C CG . HIS A 1 8 ? 12.913 -28.721 -41.653 1.00 37.89 ? 43 HIS A CG 1 ATOM 68 N ND1 . HIS A 1 8 ? 14.152 -29.157 -41.220 1.00 43.30 ? 43 HIS A ND1 1 ATOM 69 C CD2 . HIS A 1 8 ? 12.221 -29.837 -41.994 1.00 40.61 ? 43 HIS A CD2 1 ATOM 70 C CE1 . HIS A 1 8 ? 14.209 -30.478 -41.309 1.00 43.67 ? 43 HIS A CE1 1 ATOM 71 N NE2 . HIS A 1 8 ? 13.053 -30.912 -41.785 1.00 44.36 ? 43 HIS A NE2 1 ATOM 72 N N . HIS A 1 9 ? 11.343 -24.894 -39.268 1.00 29.33 ? 44 HIS A N 1 ATOM 73 C CA . HIS A 1 9 ? 10.610 -23.637 -39.263 1.00 27.07 ? 44 HIS A CA 1 ATOM 74 C C . HIS A 1 9 ? 11.581 -22.520 -39.049 1.00 25.82 ? 44 HIS A C 1 ATOM 75 O O . HIS A 1 9 ? 12.407 -22.601 -38.195 1.00 27.19 ? 44 HIS A O 1 ATOM 76 C CB . HIS A 1 9 ? 9.558 -23.615 -38.156 1.00 25.36 ? 44 HIS A CB 1 ATOM 77 C CG . HIS A 1 9 ? 8.791 -22.333 -38.116 1.00 26.21 ? 44 HIS A CG 1 ATOM 78 N ND1 . HIS A 1 9 ? 7.851 -22.003 -39.070 1.00 23.70 ? 44 HIS A ND1 1 ATOM 79 C CD2 . HIS A 1 9 ? 8.835 -21.290 -37.250 1.00 26.10 ? 44 HIS A CD2 1 ATOM 80 C CE1 . HIS A 1 9 ? 7.348 -20.812 -38.790 1.00 25.65 ? 44 HIS A CE1 1 ATOM 81 N NE2 . HIS A 1 9 ? 7.924 -20.361 -37.686 1.00 25.45 ? 44 HIS A NE2 1 ATOM 82 N N . GLN A 1 10 ? 11.468 -21.457 -39.817 1.00 25.99 ? 45 GLN A N 1 ATOM 83 C CA . GLN A 1 10 ? 12.389 -20.385 -39.693 1.00 26.49 ? 45 GLN A CA 1 ATOM 84 C C . GLN A 1 10 ? 11.639 -19.141 -39.282 1.00 26.36 ? 45 GLN A C 1 ATOM 85 O O . GLN A 1 10 ? 10.495 -18.965 -39.691 1.00 24.98 ? 45 GLN A O 1 ATOM 86 C CB . GLN A 1 10 ? 13.082 -20.169 -41.051 1.00 28.81 ? 45 GLN A CB 1 ATOM 87 C CG . GLN A 1 10 ? 13.843 -21.399 -41.542 1.00 29.16 ? 45 GLN A CG 1 ATOM 88 C CD . GLN A 1 10 ? 14.946 -21.775 -40.590 1.00 32.46 ? 45 GLN A CD 1 ATOM 89 O OE1 . GLN A 1 10 ? 15.464 -20.938 -39.874 1.00 33.98 ? 45 GLN A OE1 1 ATOM 90 N NE2 . GLN A 1 10 ? 15.276 -23.061 -40.542 1.00 37.71 ? 45 GLN A NE2 1 ATOM 91 N N . PRO A 1 11 ? 12.279 -18.256 -38.480 1.00 25.84 ? 46 PRO A N 1 ATOM 92 C CA . PRO A 1 11 ? 11.542 -17.055 -38.084 1.00 25.58 ? 46 PRO A CA 1 ATOM 93 C C . PRO A 1 11 ? 11.572 -16.012 -39.178 1.00 27.01 ? 46 PRO A C 1 ATOM 94 O O . PRO A 1 11 ? 12.535 -15.961 -39.986 1.00 28.15 ? 46 PRO A O 1 ATOM 95 C CB . PRO A 1 11 ? 12.334 -16.543 -36.899 1.00 24.43 ? 46 PRO A CB 1 ATOM 96 C CG . PRO A 1 11 ? 13.765 -16.900 -37.285 1.00 25.68 ? 46 PRO A CG 1 ATOM 97 C CD . PRO A 1 11 ? 13.625 -18.304 -37.875 1.00 25.07 ? 46 PRO A CD 1 ATOM 98 N N . ALA A 1 12 ? 10.578 -15.150 -39.205 1.00 26.03 ? 47 ALA A N 1 ATOM 99 C CA . ALA A 1 12 ? 10.587 -14.104 -40.208 1.00 28.39 ? 47 ALA A CA 1 ATOM 100 C C . ALA A 1 12 ? 10.969 -12.887 -39.473 1.00 28.92 ? 47 ALA A C 1 ATOM 101 O O . ALA A 1 12 ? 10.146 -12.369 -38.715 1.00 31.56 ? 47 ALA A O 1 ATOM 102 C CB . ALA A 1 12 ? 9.204 -13.938 -40.848 1.00 28.88 ? 47 ALA A CB 1 ATOM 103 N N . HIS A 1 13 ? 12.200 -12.423 -39.690 1.00 29.01 ? 48 HIS A N 1 ATOM 104 C CA . HIS A 1 13 ? 12.805 -11.310 -38.930 1.00 29.91 ? 48 HIS A CA 1 ATOM 105 C C . HIS A 1 13 ? 12.122 -10.004 -39.115 1.00 30.02 ? 48 HIS A C 1 ATOM 106 O O . HIS A 1 13 ? 11.700 -9.667 -40.219 1.00 29.91 ? 48 HIS A O 1 ATOM 107 C CB . HIS A 1 13 ? 14.292 -11.103 -39.288 1.00 30.10 ? 48 HIS A CB 1 ATOM 108 C CG . HIS A 1 13 ? 15.154 -12.290 -39.002 1.00 30.44 ? 48 HIS A CG 1 ATOM 109 N ND1 . HIS A 1 13 ? 16.518 -12.189 -38.851 1.00 32.82 ? 48 HIS A ND1 1 ATOM 110 C CD2 . HIS A 1 13 ? 14.853 -13.603 -38.849 1.00 30.18 ? 48 HIS A CD2 1 ATOM 111 C CE1 . HIS A 1 13 ? 17.020 -13.387 -38.603 1.00 32.21 ? 48 HIS A CE1 1 ATOM 112 N NE2 . HIS A 1 13 ? 16.031 -14.261 -38.605 1.00 30.51 ? 48 HIS A NE2 1 ATOM 113 N N . LEU A 1 14 ? 12.028 -9.263 -38.013 1.00 30.16 ? 49 LEU A N 1 ATOM 114 C CA . LEU A 1 14 ? 11.464 -7.933 -38.016 1.00 31.10 ? 49 LEU A CA 1 ATOM 115 C C . LEU A 1 14 ? 12.572 -6.974 -38.281 1.00 33.00 ? 49 LEU A C 1 ATOM 116 O O . LEU A 1 14 ? 13.649 -7.110 -37.714 1.00 34.31 ? 49 LEU A O 1 ATOM 117 C CB . LEU A 1 14 ? 10.900 -7.590 -36.624 1.00 29.87 ? 49 LEU A CB 1 ATOM 118 C CG . LEU A 1 14 ? 9.726 -8.396 -36.070 1.00 27.16 ? 49 LEU A CG 1 ATOM 119 C CD1 . LEU A 1 14 ? 9.087 -7.663 -34.906 1.00 20.69 ? 49 LEU A CD1 1 ATOM 120 C CD2 . LEU A 1 14 ? 8.709 -8.638 -37.133 1.00 28.30 ? 49 LEU A CD2 1 ATOM 121 N N . ASN A 1 15 ? 12.310 -5.969 -39.099 1.00 35.06 ? 50 ASN A N 1 ATOM 122 C CA . ASN A 1 15 ? 13.259 -4.879 -39.237 1.00 36.09 ? 50 ASN A CA 1 ATOM 123 C C . ASN A 1 15 ? 13.097 -3.854 -38.132 1.00 35.88 ? 50 ASN A C 1 ATOM 124 O O . ASN A 1 15 ? 12.204 -3.931 -37.280 1.00 36.11 ? 50 ASN A O 1 ATOM 125 C CB . ASN A 1 15 ? 13.087 -4.184 -40.576 1.00 37.00 ? 50 ASN A CB 1 ATOM 126 C CG . ASN A 1 15 ? 11.697 -3.591 -40.737 1.00 42.40 ? 50 ASN A CG 1 ATOM 127 O OD1 . ASN A 1 15 ? 11.087 -3.081 -39.769 1.00 44.65 ? 50 ASN A OD1 1 ATOM 128 N ND2 . ASN A 1 15 ? 11.175 -3.664 -41.950 1.00 46.55 ? 50 ASN A ND2 1 ATOM 129 N N . SER A 1 16 ? 13.982 -2.878 -38.190 1.00 35.62 ? 51 SER A N 1 ATOM 130 C CA . SER A 1 16 ? 14.152 -1.857 -37.190 1.00 35.29 ? 51 SER A CA 1 ATOM 131 C C . SER A 1 16 ? 12.832 -1.183 -36.787 1.00 35.59 ? 51 SER A C 1 ATOM 132 O O . SER A 1 16 ? 12.583 -0.850 -35.608 1.00 34.07 ? 51 SER A O 1 ATOM 133 C CB . SER A 1 16 ? 15.122 -0.859 -37.783 1.00 36.13 ? 51 SER A CB 1 ATOM 134 O OG . SER A 1 16 ? 15.779 -0.160 -36.767 1.00 35.60 ? 51 SER A OG 1 ATOM 135 N N . SER A 1 17 ? 11.988 -1.010 -37.796 1.00 35.28 ? 52 SER A N 1 ATOM 136 C CA . SER A 1 17 ? 10.740 -0.299 -37.669 1.00 35.83 ? 52 SER A CA 1 ATOM 137 C C . SER A 1 17 ? 9.670 -1.151 -36.972 1.00 33.97 ? 52 SER A C 1 ATOM 138 O O . SER A 1 17 ? 8.892 -0.672 -36.137 1.00 34.77 ? 52 SER A O 1 ATOM 139 C CB . SER A 1 17 ? 10.274 0.069 -39.075 1.00 35.44 ? 52 SER A CB 1 ATOM 140 O OG . SER A 1 17 ? 9.248 1.044 -39.027 1.00 39.16 ? 52 SER A OG 1 ATOM 141 N N . SER A 1 18 ? 9.607 -2.408 -37.371 1.00 32.39 ? 53 SER A N 1 ATOM 142 C CA . SER A 1 18 ? 8.684 -3.351 -36.788 1.00 30.83 ? 53 SER A CA 1 ATOM 143 C C . SER A 1 18 ? 9.172 -3.671 -35.351 1.00 28.90 ? 53 SER A C 1 ATOM 144 O O . SER A 1 18 ? 8.359 -3.898 -34.465 1.00 28.32 ? 53 SER A O 1 ATOM 145 C CB . SER A 1 18 ? 8.559 -4.573 -37.670 1.00 32.12 ? 53 SER A CB 1 ATOM 146 O OG . SER A 1 18 ? 8.344 -4.145 -39.018 1.00 34.82 ? 53 SER A OG 1 ATOM 147 N N . LEU A 1 19 ? 10.488 -3.633 -35.123 1.00 26.63 ? 54 LEU A N 1 ATOM 148 C CA . LEU A 1 19 ? 11.005 -3.843 -33.797 1.00 24.42 ? 54 LEU A CA 1 ATOM 149 C C . LEU A 1 19 ? 10.598 -2.661 -32.941 1.00 24.44 ? 54 LEU A C 1 ATOM 150 O O . LEU A 1 19 ? 10.167 -2.859 -31.813 1.00 23.43 ? 54 LEU A O 1 ATOM 151 C CB . LEU A 1 19 ? 12.532 -3.987 -33.776 1.00 24.16 ? 54 LEU A CB 1 ATOM 152 C CG . LEU A 1 19 ? 13.001 -5.264 -34.432 1.00 21.88 ? 54 LEU A CG 1 ATOM 153 C CD1 . LEU A 1 19 ? 14.481 -5.063 -34.562 1.00 22.34 ? 54 LEU A CD1 1 ATOM 154 C CD2 . LEU A 1 19 ? 12.752 -6.489 -33.519 1.00 20.61 ? 54 LEU A CD2 1 ATOM 155 N N . GLN A 1 20 ? 10.698 -1.435 -33.483 1.00 24.77 ? 55 GLN A N 1 ATOM 156 C CA . GLN A 1 20 ? 10.341 -0.260 -32.704 1.00 26.14 ? 55 GLN A CA 1 ATOM 157 C C . GLN A 1 20 ? 8.844 -0.297 -32.325 1.00 25.24 ? 55 GLN A C 1 ATOM 158 O O . GLN A 1 20 ? 8.500 0.031 -31.191 1.00 24.44 ? 55 GLN A O 1 ATOM 159 C CB . GLN A 1 20 ? 10.721 1.058 -33.418 1.00 28.22 ? 55 GLN A CB 1 ATOM 160 C CG . GLN A 1 20 ? 10.816 2.256 -32.415 1.00 34.22 ? 55 GLN A CG 1 ATOM 161 C CD . GLN A 1 20 ? 11.337 3.609 -32.972 1.00 43.23 ? 55 GLN A CD 1 ATOM 162 O OE1 . GLN A 1 20 ? 12.504 3.730 -33.371 1.00 47.88 ? 55 GLN A OE1 1 ATOM 163 N NE2 . GLN A 1 20 ? 10.488 4.651 -32.900 1.00 44.58 ? 55 GLN A NE2 1 ATOM 164 N N . GLN A 1 21 ? 7.998 -0.656 -33.288 1.00 24.46 ? 56 GLN A N 1 ATOM 165 C CA . GLN A 1 21 ? 6.560 -0.962 -33.070 1.00 25.96 ? 56 GLN A CA 1 ATOM 166 C C . GLN A 1 21 ? 6.396 -1.925 -31.919 1.00 23.67 ? 56 GLN A C 1 ATOM 167 O O . GLN A 1 21 ? 5.578 -1.692 -31.022 1.00 23.56 ? 56 GLN A O 1 ATOM 168 C CB . GLN A 1 21 ? 5.891 -1.568 -34.327 1.00 26.67 ? 56 GLN A CB 1 ATOM 169 C CG . GLN A 1 21 ? 4.400 -2.104 -34.186 1.00 32.51 ? 56 GLN A CG 1 ATOM 170 C CD . GLN A 1 21 ? 3.716 -2.387 -35.567 1.00 40.06 ? 56 GLN A CD 1 ATOM 171 O OE1 . GLN A 1 21 ? 4.376 -2.812 -36.551 1.00 40.65 ? 56 GLN A OE1 1 ATOM 172 N NE2 . GLN A 1 21 ? 2.402 -2.140 -35.637 1.00 40.37 ? 56 GLN A NE2 1 ATOM 173 N N . VAL A 1 22 ? 7.108 -3.041 -31.962 1.00 20.20 ? 57 VAL A N 1 ATOM 174 C CA . VAL A 1 22 ? 6.916 -4.004 -30.870 1.00 19.16 ? 57 VAL A CA 1 ATOM 175 C C . VAL A 1 22 ? 7.368 -3.372 -29.566 1.00 16.98 ? 57 VAL A C 1 ATOM 176 O O . VAL A 1 22 ? 6.645 -3.405 -28.625 1.00 15.70 ? 57 VAL A O 1 ATOM 177 C CB . VAL A 1 22 ? 7.602 -5.355 -31.111 1.00 19.82 ? 57 VAL A CB 1 ATOM 178 C CG1 . VAL A 1 22 ? 7.460 -6.214 -29.858 1.00 20.87 ? 57 VAL A CG1 1 ATOM 179 C CG2 . VAL A 1 22 ? 6.990 -6.017 -32.335 1.00 19.74 ? 57 VAL A CG2 1 ATOM 180 N N . ALA A 1 23 ? 8.529 -2.732 -29.523 1.00 15.04 ? 58 ALA A N 1 ATOM 181 C CA . ALA A 1 23 ? 8.945 -2.162 -28.272 1.00 15.38 ? 58 ALA A CA 1 ATOM 182 C C . ALA A 1 23 ? 7.906 -1.126 -27.770 1.00 14.94 ? 58 ALA A C 1 ATOM 183 O O . ALA A 1 23 ? 7.659 -1.083 -26.600 1.00 15.75 ? 58 ALA A O 1 ATOM 184 C CB . ALA A 1 23 ? 10.286 -1.518 -28.390 1.00 16.39 ? 58 ALA A CB 1 ATOM 185 N N . GLU A 1 24 ? 7.278 -0.367 -28.670 1.00 13.57 ? 59 GLU A N 1 ATOM 186 C CA . GLU A 1 24 ? 6.328 0.709 -28.287 1.00 15.66 ? 59 GLU A CA 1 ATOM 187 C C . GLU A 1 24 ? 5.002 0.163 -27.872 1.00 13.85 ? 59 GLU A C 1 ATOM 188 O O . GLU A 1 24 ? 4.286 0.806 -27.115 1.00 13.64 ? 59 GLU A O 1 ATOM 189 C CB . GLU A 1 24 ? 6.008 1.636 -29.479 1.00 15.57 ? 59 GLU A CB 1 ATOM 190 C CG . GLU A 1 24 ? 6.963 2.763 -29.643 1.00 25.13 ? 59 GLU A CG 1 ATOM 191 C CD . GLU A 1 24 ? 6.919 3.360 -31.083 1.00 26.22 ? 59 GLU A CD 1 ATOM 192 O OE1 . GLU A 1 24 ? 5.955 3.083 -31.862 1.00 29.76 ? 59 GLU A OE1 1 ATOM 193 O OE2 . GLU A 1 24 ? 7.848 4.129 -31.402 1.00 35.62 ? 59 GLU A OE2 1 ATOM 194 N N . GLY A 1 25 ? 4.704 -1.044 -28.335 1.00 13.92 ? 60 GLY A N 1 ATOM 195 C CA . GLY A 1 25 ? 3.378 -1.536 -28.193 1.00 12.89 ? 60 GLY A CA 1 ATOM 196 C C . GLY A 1 25 ? 3.145 -2.301 -26.899 1.00 14.34 ? 60 GLY A C 1 ATOM 197 O O . GLY A 1 25 ? 2.041 -2.724 -26.653 1.00 13.48 ? 60 GLY A O 1 ATOM 198 N N . THR A 1 26 ? 4.170 -2.484 -26.079 1.00 14.00 ? 61 THR A N 1 ATOM 199 C CA . THR A 1 26 ? 3.962 -3.164 -24.795 1.00 13.57 ? 61 THR A CA 1 ATOM 200 C C . THR A 1 26 ? 4.114 -2.092 -23.734 1.00 14.88 ? 61 THR A C 1 ATOM 201 O O . THR A 1 26 ? 4.957 -1.202 -23.848 1.00 15.52 ? 61 THR A O 1 ATOM 202 C CB . THR A 1 26 ? 4.971 -4.344 -24.638 1.00 14.54 ? 61 THR A CB 1 ATOM 203 O OG1 . THR A 1 26 ? 4.744 -5.042 -23.369 1.00 13.51 ? 61 THR A OG1 1 ATOM 204 C CG2 . THR A 1 26 ? 6.373 -3.868 -24.745 1.00 12.54 ? 61 THR A CG2 1 ATOM 205 N N . SER A 1 27 ? 3.312 -2.201 -22.683 1.00 14.07 ? 62 SER A N 1 ATOM 206 C CA . SER A 1 27 ? 3.349 -1.288 -21.579 1.00 14.68 ? 62 SER A CA 1 ATOM 207 C C . SER A 1 27 ? 3.547 -2.115 -20.308 1.00 13.47 ? 62 SER A C 1 ATOM 208 O O . SER A 1 27 ? 2.655 -2.855 -19.909 1.00 12.37 ? 62 SER A O 1 ATOM 209 C CB . SER A 1 27 ? 1.988 -0.565 -21.457 1.00 13.63 ? 62 SER A CB 1 ATOM 210 O OG . SER A 1 27 ? 2.007 0.173 -20.216 1.00 16.29 ? 62 SER A OG 1 ATOM 211 N N . ILE A 1 28 ? 4.702 -1.936 -19.650 1.00 15.12 ? 63 ILE A N 1 ATOM 212 C CA . ILE A 1 28 ? 4.992 -2.632 -18.429 1.00 16.69 ? 63 ILE A CA 1 ATOM 213 C C . ILE A 1 28 ? 4.017 -2.229 -17.320 1.00 16.68 ? 63 ILE A C 1 ATOM 214 O O . ILE A 1 28 ? 3.603 -3.071 -16.524 1.00 16.38 ? 63 ILE A O 1 ATOM 215 C CB . ILE A 1 28 ? 6.507 -2.473 -18.060 1.00 17.39 ? 63 ILE A CB 1 ATOM 216 C CG1 . ILE A 1 28 ? 6.886 -3.386 -16.875 1.00 14.05 ? 63 ILE A CG1 1 ATOM 217 C CG2 . ILE A 1 28 ? 6.833 -1.014 -17.707 1.00 17.62 ? 63 ILE A CG2 1 ATOM 218 C CD1 . ILE A 1 28 ? 6.801 -4.903 -17.240 1.00 12.57 ? 63 ILE A CD1 1 ATOM 219 N N . SER A 1 29 ? 3.586 -0.950 -17.310 1.00 15.04 ? 64 SER A N 1 ATOM 220 C CA . SER A 1 29 ? 2.771 -0.462 -16.227 1.00 17.60 ? 64 SER A CA 1 ATOM 221 C C . SER A 1 29 ? 1.326 -0.946 -16.400 1.00 15.43 ? 64 SER A C 1 ATOM 222 O O . SER A 1 29 ? 0.610 -1.244 -15.413 1.00 16.15 ? 64 SER A O 1 ATOM 223 C CB . SER A 1 29 ? 2.854 1.073 -16.140 1.00 18.16 ? 64 SER A CB 1 ATOM 224 O OG . SER A 1 29 ? 2.360 1.607 -17.363 1.00 24.01 ? 64 SER A OG 1 ATOM 225 N N . GLU A 1 30 ? 0.885 -1.075 -17.633 1.00 15.18 ? 65 GLU A N 1 ATOM 226 C CA . GLU A 1 30 ? -0.437 -1.657 -17.877 1.00 13.91 ? 65 GLU A CA 1 ATOM 227 C C . GLU A 1 30 ? -0.344 -3.152 -17.564 1.00 14.04 ? 65 GLU A C 1 ATOM 228 O O . GLU A 1 30 ? -1.237 -3.675 -16.905 1.00 13.62 ? 65 GLU A O 1 ATOM 229 C CB . GLU A 1 30 ? -0.923 -1.453 -19.308 1.00 14.68 ? 65 GLU A CB 1 ATOM 230 C CG . GLU A 1 30 ? -1.271 0.020 -19.616 1.00 16.03 ? 65 GLU A CG 1 ATOM 231 C CD . GLU A 1 30 ? -1.798 0.271 -21.069 1.00 25.28 ? 65 GLU A CD 1 ATOM 232 O OE1 . GLU A 1 30 ? -1.323 -0.362 -22.007 1.00 26.71 ? 65 GLU A OE1 1 ATOM 233 O OE2 . GLU A 1 30 ? -2.689 1.113 -21.253 1.00 28.23 ? 65 GLU A OE2 1 ATOM 234 N N . MET A 1 31 ? 0.743 -3.828 -17.977 1.00 12.79 ? 66 MET A N 1 ATOM 235 C CA . MET A 1 31 ? 0.812 -5.238 -17.550 1.00 12.64 ? 66 MET A CA 1 ATOM 236 C C . MET A 1 31 ? 0.736 -5.280 -16.019 1.00 13.41 ? 66 MET A C 1 ATOM 237 O O . MET A 1 31 ? 0.017 -6.068 -15.441 1.00 13.35 ? 66 MET A O 1 ATOM 238 C CB . MET A 1 31 ? 2.078 -5.904 -18.017 1.00 13.59 ? 66 MET A CB 1 ATOM 239 C CG . MET A 1 31 ? 2.098 -7.410 -17.541 1.00 10.66 ? 66 MET A CG 1 ATOM 240 S SD . MET A 1 31 ? 3.840 -7.899 -17.587 1.00 16.94 ? 66 MET A SD 1 ATOM 241 C CE . MET A 1 31 ? 4.361 -7.320 -16.009 1.00 17.82 ? 66 MET A CE 1 ATOM 242 N N . TRP A 1 32 ? 1.514 -4.421 -15.385 1.00 12.51 ? 67 TRP A N 1 ATOM 243 C CA . TRP A 1 32 ? 1.650 -4.499 -13.943 1.00 15.43 ? 67 TRP A CA 1 ATOM 244 C C . TRP A 1 32 ? 0.283 -4.354 -13.321 1.00 15.39 ? 67 TRP A C 1 ATOM 245 O O . TRP A 1 32 ? -0.071 -5.101 -12.435 1.00 17.24 ? 67 TRP A O 1 ATOM 246 C CB . TRP A 1 32 ? 2.499 -3.365 -13.472 1.00 11.96 ? 67 TRP A CB 1 ATOM 247 C CG . TRP A 1 32 ? 3.295 -3.705 -12.249 1.00 15.92 ? 67 TRP A CG 1 ATOM 248 C CD1 . TRP A 1 32 ? 2.890 -3.634 -10.980 1.00 16.18 ? 67 TRP A CD1 1 ATOM 249 C CD2 . TRP A 1 32 ? 4.659 -4.153 -12.223 1.00 14.79 ? 67 TRP A CD2 1 ATOM 250 N NE1 . TRP A 1 32 ? 3.931 -4.003 -10.113 1.00 17.60 ? 67 TRP A NE1 1 ATOM 251 C CE2 . TRP A 1 32 ? 5.017 -4.333 -10.878 1.00 17.42 ? 67 TRP A CE2 1 ATOM 252 C CE3 . TRP A 1 32 ? 5.592 -4.443 -13.214 1.00 17.51 ? 67 TRP A CE3 1 ATOM 253 C CZ2 . TRP A 1 32 ? 6.275 -4.773 -10.497 1.00 19.65 ? 67 TRP A CZ2 1 ATOM 254 C CZ3 . TRP A 1 32 ? 6.835 -4.904 -12.837 1.00 19.14 ? 67 TRP A CZ3 1 ATOM 255 C CH2 . TRP A 1 32 ? 7.179 -5.030 -11.503 1.00 19.96 ? 67 TRP A CH2 1 ATOM 256 N N . GLN A 1 33 ? -0.435 -3.303 -13.706 1.00 17.55 ? 68 GLN A N 1 ATOM 257 C CA . GLN A 1 33 ? -1.692 -3.000 -13.066 1.00 16.41 ? 68 GLN A CA 1 ATOM 258 C C . GLN A 1 33 ? -2.733 -4.016 -13.432 1.00 15.97 ? 68 GLN A C 1 ATOM 259 O O . GLN A 1 33 ? -3.411 -4.577 -12.572 1.00 15.92 ? 68 GLN A O 1 ATOM 260 C CB . GLN A 1 33 ? -2.176 -1.586 -13.446 1.00 17.98 ? 68 GLN A CB 1 ATOM 261 C CG . GLN A 1 33 ? -3.245 -0.980 -12.500 1.00 24.19 ? 68 GLN A CG 1 ATOM 262 C CD . GLN A 1 33 ? -2.851 -1.034 -11.006 1.00 29.80 ? 68 GLN A CD 1 ATOM 263 O OE1 . GLN A 1 33 ? -3.678 -1.349 -10.143 1.00 36.50 ? 68 GLN A OE1 1 ATOM 264 N NE2 . GLN A 1 33 ? -1.594 -0.764 -10.707 1.00 32.88 ? 68 GLN A NE2 1 ATOM 265 N N . ASN A 1 34 ? -2.832 -4.354 -14.698 1.00 14.10 ? 69 ASN A N 1 ATOM 266 C CA . ASN A 1 34 ? -3.942 -5.149 -15.144 1.00 15.29 ? 69 ASN A CA 1 ATOM 267 C C . ASN A 1 34 ? -3.711 -6.606 -15.254 1.00 13.39 ? 69 ASN A C 1 ATOM 268 O O . ASN A 1 34 ? -4.652 -7.359 -15.190 1.00 15.40 ? 69 ASN A O 1 ATOM 269 C CB . ASN A 1 34 ? -4.460 -4.659 -16.484 1.00 14.38 ? 69 ASN A CB 1 ATOM 270 C CG . ASN A 1 34 ? -4.752 -3.172 -16.448 1.00 20.17 ? 69 ASN A CG 1 ATOM 271 O OD1 . ASN A 1 34 ? -5.270 -2.691 -15.447 1.00 18.86 ? 69 ASN A OD1 1 ATOM 272 N ND2 . ASN A 1 34 ? -4.354 -2.445 -17.503 1.00 19.11 ? 69 ASN A ND2 1 ATOM 273 N N . ASP A 1 35 ? -2.474 -7.033 -15.427 1.00 14.38 ? 70 ASP A N 1 ATOM 274 C CA . ASP A 1 35 ? -2.246 -8.471 -15.591 1.00 15.36 ? 70 ASP A CA 1 ATOM 275 C C . ASP A 1 35 ? -1.576 -9.074 -14.402 1.00 13.78 ? 70 ASP A C 1 ATOM 276 O O . ASP A 1 35 ? -1.883 -10.179 -13.993 1.00 16.12 ? 70 ASP A O 1 ATOM 277 C CB . ASP A 1 35 ? -1.385 -8.762 -16.831 1.00 14.65 ? 70 ASP A CB 1 ATOM 278 C CG . ASP A 1 35 ? -2.166 -8.558 -18.133 1.00 18.75 ? 70 ASP A CG 1 ATOM 279 O OD1 . ASP A 1 35 ? -3.293 -9.065 -18.223 1.00 19.99 ? 70 ASP A OD1 1 ATOM 280 O OD2 . ASP A 1 35 ? -1.651 -7.936 -19.079 1.00 25.19 ? 70 ASP A OD2 1 ATOM 281 N N . LEU A 1 36 ? -0.599 -8.365 -13.887 1.00 13.75 ? 71 LEU A N 1 ATOM 282 C CA . LEU A 1 36 ? 0.258 -8.926 -12.861 1.00 13.85 ? 71 LEU A CA 1 ATOM 283 C C . LEU A 1 36 ? -0.337 -8.809 -11.466 1.00 14.73 ? 71 LEU A C 1 ATOM 284 O O . LEU A 1 36 ? -0.499 -9.820 -10.741 1.00 13.26 ? 71 LEU A O 1 ATOM 285 C CB . LEU A 1 36 ? 1.595 -8.246 -12.925 1.00 13.01 ? 71 LEU A CB 1 ATOM 286 C CG . LEU A 1 36 ? 2.491 -8.623 -11.726 1.00 13.74 ? 71 LEU A CG 1 ATOM 287 C CD1 . LEU A 1 36 ? 2.808 -10.154 -11.751 1.00 11.18 ? 71 LEU A CD1 1 ATOM 288 C CD2 . LEU A 1 36 ? 3.735 -7.782 -11.792 1.00 18.14 ? 71 LEU A CD2 1 ATOM 289 N N . ARG A 1 37 ? -0.697 -7.599 -11.077 1.00 14.25 ? 72 ARG A N 1 ATOM 290 C CA . ARG A 1 37 ? -1.172 -7.384 -9.672 1.00 14.41 ? 72 ARG A CA 1 ATOM 291 C C . ARG A 1 37 ? -2.322 -8.281 -9.225 1.00 16.61 ? 72 ARG A C 1 ATOM 292 O O . ARG A 1 37 ? -2.275 -8.822 -8.098 1.00 15.88 ? 72 ARG A O 1 ATOM 293 C CB . ARG A 1 37 ? -1.554 -5.928 -9.467 1.00 16.48 ? 72 ARG A CB 1 ATOM 294 C CG . ARG A 1 37 ? -0.316 -5.158 -9.139 1.00 13.07 ? 72 ARG A CG 1 ATOM 295 C CD . ARG A 1 37 ? -0.577 -3.685 -9.155 1.00 20.64 ? 72 ARG A CD 1 ATOM 296 N NE . ARG A 1 37 ? 0.575 -3.044 -8.522 1.00 20.47 ? 72 ARG A NE 1 ATOM 297 C CZ . ARG A 1 37 ? 0.674 -1.757 -8.282 1.00 22.30 ? 72 ARG A CZ 1 ATOM 298 N NH1 . ARG A 1 37 ? -0.363 -0.984 -8.567 1.00 23.00 ? 72 ARG A NH1 1 ATOM 299 N NH2 . ARG A 1 37 ? 1.782 -1.289 -7.698 1.00 24.68 ? 72 ARG A NH2 1 ATOM 300 N N . PRO A 1 38 ? -3.321 -8.516 -10.108 1.00 16.12 ? 73 PRO A N 1 ATOM 301 C CA . PRO A 1 38 ? -4.370 -9.400 -9.658 1.00 15.40 ? 73 PRO A CA 1 ATOM 302 C C . PRO A 1 38 ? -3.880 -10.855 -9.449 1.00 16.35 ? 73 PRO A C 1 ATOM 303 O O . PRO A 1 38 ? -4.579 -11.616 -8.839 1.00 14.94 ? 73 PRO A O 1 ATOM 304 C CB . PRO A 1 38 ? -5.387 -9.378 -10.821 1.00 16.45 ? 73 PRO A CB 1 ATOM 305 C CG . PRO A 1 38 ? -5.126 -7.974 -11.487 1.00 14.45 ? 73 PRO A CG 1 ATOM 306 C CD . PRO A 1 38 ? -3.598 -7.986 -11.456 1.00 14.90 ? 73 PRO A CD 1 ATOM 307 N N . LEU A 1 39 ? -2.703 -11.214 -9.974 1.00 15.64 ? 74 LEU A N 1 ATOM 308 C CA . LEU A 1 39 ? -2.096 -12.531 -9.740 1.00 13.58 ? 74 LEU A CA 1 ATOM 309 C C . LEU A 1 39 ? -1.238 -12.549 -8.513 1.00 14.56 ? 74 LEU A C 1 ATOM 310 O O . LEU A 1 39 ? -0.854 -13.652 -8.091 1.00 16.40 ? 74 LEU A O 1 ATOM 311 C CB . LEU A 1 39 ? -1.160 -12.927 -10.894 1.00 11.10 ? 74 LEU A CB 1 ATOM 312 C CG . LEU A 1 39 ? -1.901 -13.197 -12.144 1.00 13.79 ? 74 LEU A CG 1 ATOM 313 C CD1 . LEU A 1 39 ? -0.906 -13.465 -13.259 1.00 16.03 ? 74 LEU A CD1 1 ATOM 314 C CD2 . LEU A 1 39 ? -2.812 -14.382 -11.963 1.00 20.69 ? 74 LEU A CD2 1 ATOM 315 N N . LEU A 1 40 ? -0.896 -11.399 -7.944 1.00 14.82 ? 75 LEU A N 1 ATOM 316 C CA . LEU A 1 40 ? -0.023 -11.392 -6.734 1.00 14.50 ? 75 LEU A CA 1 ATOM 317 C C . LEU A 1 40 ? -0.768 -11.746 -5.419 1.00 15.30 ? 75 LEU A C 1 ATOM 318 O O . LEU A 1 40 ? -0.838 -11.015 -4.447 1.00 14.12 ? 75 LEU A O 1 ATOM 319 C CB . LEU A 1 40 ? 0.808 -10.136 -6.678 1.00 15.16 ? 75 LEU A CB 1 ATOM 320 C CG . LEU A 1 40 ? 1.674 -9.969 -7.946 1.00 14.03 ? 75 LEU A CG 1 ATOM 321 C CD1 . LEU A 1 40 ? 2.130 -8.519 -8.076 1.00 14.00 ? 75 LEU A CD1 1 ATOM 322 C CD2 . LEU A 1 40 ? 2.859 -10.887 -7.732 1.00 18.23 ? 75 LEU A CD2 1 ATOM 323 N N . ILE A 1 41 ? -1.300 -12.947 -5.430 1.00 14.86 ? 76 ILE A N 1 ATOM 324 C CA . ILE A 1 41 ? -2.135 -13.417 -4.363 1.00 14.27 ? 76 ILE A CA 1 ATOM 325 C C . ILE A 1 41 ? -1.717 -14.851 -4.149 1.00 15.58 ? 76 ILE A C 1 ATOM 326 O O . ILE A 1 41 ? -1.216 -15.538 -5.055 1.00 16.18 ? 76 ILE A O 1 ATOM 327 C CB . ILE A 1 41 ? -3.593 -13.356 -4.731 1.00 14.93 ? 76 ILE A CB 1 ATOM 328 C CG1 . ILE A 1 41 ? -3.851 -14.112 -6.028 1.00 13.39 ? 76 ILE A CG1 1 ATOM 329 C CG2 . ILE A 1 41 ? -4.096 -11.863 -4.825 1.00 19.42 ? 76 ILE A CG2 1 ATOM 330 C CD1 . ILE A 1 41 ? -5.301 -14.281 -6.455 1.00 19.09 ? 76 ILE A CD1 1 ATOM 331 N N . GLU A 1 42 ? -2.028 -15.378 -2.985 1.00 13.46 ? 77 GLU A N 1 ATOM 332 C CA . GLU A 1 42 ? -1.768 -16.773 -2.795 1.00 15.48 ? 77 GLU A CA 1 ATOM 333 C C . GLU A 1 42 ? -2.668 -17.537 -3.707 1.00 13.48 ? 77 GLU A C 1 ATOM 334 O O . GLU A 1 42 ? -3.903 -17.337 -3.729 1.00 14.51 ? 77 GLU A O 1 ATOM 335 C CB . GLU A 1 42 ? -2.029 -17.092 -1.327 1.00 13.79 ? 77 GLU A CB 1 ATOM 336 C CG . GLU A 1 42 ? -1.775 -18.527 -0.963 1.00 18.59 ? 77 GLU A CG 1 ATOM 337 C CD . GLU A 1 42 ? -1.995 -18.743 0.507 1.00 23.53 ? 77 GLU A CD 1 ATOM 338 O OE1 . GLU A 1 42 ? -2.976 -18.177 1.053 1.00 22.47 ? 77 GLU A OE1 1 ATOM 339 O OE2 . GLU A 1 42 ? -1.181 -19.478 1.084 1.00 23.17 ? 77 GLU A OE2 1 ATOM 340 N N . ARG A 1 43 ? -2.110 -18.448 -4.503 1.00 14.27 ? 78 ARG A N 1 ATOM 341 C CA . ARG A 1 43 ? -2.919 -19.145 -5.437 1.00 14.10 ? 78 ARG A CA 1 ATOM 342 C C . ARG A 1 43 ? -2.367 -20.550 -5.565 1.00 14.55 ? 78 ARG A C 1 ATOM 343 O O . ARG A 1 43 ? -2.199 -21.080 -6.635 1.00 10.99 ? 78 ARG A O 1 ATOM 344 C CB . ARG A 1 43 ? -2.901 -18.450 -6.834 1.00 15.04 ? 78 ARG A CB 1 ATOM 345 C CG . ARG A 1 43 ? -1.445 -18.216 -7.295 1.00 9.40 ? 78 ARG A CG 1 ATOM 346 C CD . ARG A 1 43 ? -1.389 -17.103 -8.440 1.00 10.91 ? 78 ARG A CD 1 ATOM 347 N NE . ARG A 1 43 ? -0.005 -17.076 -8.952 1.00 11.77 ? 78 ARG A NE 1 ATOM 348 C CZ . ARG A 1 43 ? 0.997 -16.488 -8.299 1.00 13.87 ? 78 ARG A CZ 1 ATOM 349 N NH1 . ARG A 1 43 ? 0.774 -15.828 -7.146 1.00 7.53 ? 78 ARG A NH1 1 ATOM 350 N NH2 . ARG A 1 43 ? 2.249 -16.593 -8.731 1.00 8.92 ? 78 ARG A NH2 1 ATOM 351 N N . TYR A 1 44 ? -2.073 -21.189 -4.444 1.00 14.53 ? 79 TYR A N 1 ATOM 352 C CA . TYR A 1 44 ? -1.701 -22.599 -4.595 1.00 16.57 ? 79 TYR A CA 1 ATOM 353 C C . TYR A 1 44 ? -2.953 -23.369 -4.945 1.00 15.72 ? 79 TYR A C 1 ATOM 354 O O . TYR A 1 44 ? -4.045 -22.838 -4.759 1.00 15.61 ? 79 TYR A O 1 ATOM 355 C CB . TYR A 1 44 ? -1.067 -23.102 -3.336 1.00 14.48 ? 79 TYR A CB 1 ATOM 356 C CG . TYR A 1 44 ? -1.936 -23.112 -2.133 1.00 15.18 ? 79 TYR A CG 1 ATOM 357 C CD1 . TYR A 1 44 ? -1.973 -22.019 -1.256 1.00 16.21 ? 79 TYR A CD1 1 ATOM 358 C CD2 . TYR A 1 44 ? -2.680 -24.234 -1.820 1.00 14.63 ? 79 TYR A CD2 1 ATOM 359 C CE1 . TYR A 1 44 ? -2.728 -22.076 -0.105 1.00 17.70 ? 79 TYR A CE1 1 ATOM 360 C CE2 . TYR A 1 44 ? -3.443 -24.277 -0.662 1.00 16.19 ? 79 TYR A CE2 1 ATOM 361 C CZ . TYR A 1 44 ? -3.442 -23.203 0.197 1.00 16.14 ? 79 TYR A CZ 1 ATOM 362 O OH . TYR A 1 44 ? -4.140 -23.284 1.407 1.00 16.11 ? 79 TYR A OH 1 ATOM 363 N N . PRO A 1 45 ? -2.806 -24.580 -5.524 1.00 15.97 ? 80 PRO A N 1 ATOM 364 C CA . PRO A 1 45 ? -3.998 -25.240 -6.037 1.00 16.76 ? 80 PRO A CA 1 ATOM 365 C C . PRO A 1 45 ? -5.095 -25.462 -4.997 1.00 16.53 ? 80 PRO A C 1 ATOM 366 O O . PRO A 1 45 ? -4.835 -25.923 -3.878 1.00 15.32 ? 80 PRO A O 1 ATOM 367 C CB . PRO A 1 45 ? -3.486 -26.596 -6.571 1.00 15.64 ? 80 PRO A CB 1 ATOM 368 C CG . PRO A 1 45 ? -2.076 -26.356 -6.886 1.00 16.51 ? 80 PRO A CG 1 ATOM 369 C CD . PRO A 1 45 ? -1.579 -25.351 -5.827 1.00 15.34 ? 80 PRO A CD 1 ATOM 370 N N . GLY A 1 46 ? -6.325 -25.148 -5.399 1.00 16.29 ? 81 GLY A N 1 ATOM 371 C CA . GLY A 1 46 ? -7.460 -25.251 -4.482 1.00 16.26 ? 81 GLY A CA 1 ATOM 372 C C . GLY A 1 46 ? -7.659 -24.036 -3.598 1.00 15.27 ? 81 GLY A C 1 ATOM 373 O O . GLY A 1 46 ? -8.729 -23.866 -3.036 1.00 14.95 ? 81 GLY A O 1 ATOM 374 N N . SER A 1 47 ? -6.677 -23.158 -3.524 1.00 14.25 ? 82 SER A N 1 ATOM 375 C CA . SER A 1 47 ? -6.879 -21.949 -2.780 1.00 15.07 ? 82 SER A CA 1 ATOM 376 C C . SER A 1 47 ? -7.897 -21.043 -3.504 1.00 15.77 ? 82 SER A C 1 ATOM 377 O O . SER A 1 47 ? -8.070 -21.142 -4.707 1.00 17.34 ? 82 SER A O 1 ATOM 378 C CB . SER A 1 47 ? -5.526 -21.268 -2.538 1.00 14.21 ? 82 SER A CB 1 ATOM 379 O OG . SER A 1 47 ? -5.047 -20.742 -3.774 1.00 13.71 ? 82 SER A OG 1 ATOM 380 N N . PRO A 1 48 ? -8.574 -20.140 -2.763 1.00 17.47 ? 83 PRO A N 1 ATOM 381 C CA . PRO A 1 48 ? -9.425 -19.108 -3.358 1.00 17.52 ? 83 PRO A CA 1 ATOM 382 C C . PRO A 1 48 ? -8.695 -18.346 -4.479 1.00 17.44 ? 83 PRO A C 1 ATOM 383 O O . PRO A 1 48 ? -9.273 -18.074 -5.522 1.00 18.49 ? 83 PRO A O 1 ATOM 384 C CB . PRO A 1 48 ? -9.697 -18.142 -2.165 1.00 17.05 ? 83 PRO A CB 1 ATOM 385 C CG . PRO A 1 48 ? -9.442 -18.935 -0.983 1.00 18.23 ? 83 PRO A CG 1 ATOM 386 C CD . PRO A 1 48 ? -8.536 -20.053 -1.288 1.00 16.81 ? 83 PRO A CD 1 ATOM 387 N N . GLY A 1 49 ? -7.422 -18.054 -4.236 1.00 16.84 ? 84 GLY A N 1 ATOM 388 C CA . GLY A 1 49 ? -6.613 -17.306 -5.108 1.00 15.99 ? 84 GLY A CA 1 ATOM 389 C C . GLY A 1 49 ? -6.402 -18.066 -6.385 1.00 16.22 ? 84 GLY A C 1 ATOM 390 O O . GLY A 1 49 ? -6.233 -17.439 -7.411 1.00 17.58 ? 84 GLY A O 1 ATOM 391 N N . SER A 1 50 ? -6.410 -19.394 -6.347 1.00 15.18 ? 85 SER A N 1 ATOM 392 C CA . SER A 1 50 ? -6.248 -20.206 -7.545 1.00 15.01 ? 85 SER A CA 1 ATOM 393 C C . SER A 1 50 ? -7.402 -19.948 -8.531 1.00 16.33 ? 85 SER A C 1 ATOM 394 O O . SER A 1 50 ? -7.231 -19.756 -9.734 1.00 13.22 ? 85 SER A O 1 ATOM 395 C CB . SER A 1 50 ? -6.170 -21.708 -7.166 1.00 16.39 ? 85 SER A CB 1 ATOM 396 O OG . SER A 1 50 ? -6.234 -22.571 -8.305 1.00 16.18 ? 85 SER A OG 1 ATOM 397 N N . TYR A 1 51 ? -8.597 -19.953 -7.991 1.00 16.49 ? 86 TYR A N 1 ATOM 398 C CA . TYR A 1 51 ? -9.764 -19.605 -8.762 1.00 17.09 ? 86 TYR A CA 1 ATOM 399 C C . TYR A 1 51 ? -9.710 -18.161 -9.272 1.00 16.65 ? 86 TYR A C 1 ATOM 400 O O . TYR A 1 51 ? -9.993 -17.939 -10.447 1.00 17.18 ? 86 TYR A O 1 ATOM 401 C CB . TYR A 1 51 ? -11.017 -19.879 -7.908 1.00 18.80 ? 86 TYR A CB 1 ATOM 402 C CG . TYR A 1 51 ? -12.262 -19.375 -8.574 1.00 21.59 ? 86 TYR A CG 1 ATOM 403 C CD1 . TYR A 1 51 ? -12.975 -20.182 -9.457 1.00 26.58 ? 86 TYR A CD1 1 ATOM 404 C CD2 . TYR A 1 51 ? -12.731 -18.081 -8.333 1.00 25.67 ? 86 TYR A CD2 1 ATOM 405 C CE1 . TYR A 1 51 ? -14.125 -19.707 -10.110 1.00 28.65 ? 86 TYR A CE1 1 ATOM 406 C CE2 . TYR A 1 51 ? -13.889 -17.608 -8.977 1.00 24.76 ? 86 TYR A CE2 1 ATOM 407 C CZ . TYR A 1 51 ? -14.560 -18.425 -9.863 1.00 28.86 ? 86 TYR A CZ 1 ATOM 408 O OH . TYR A 1 51 ? -15.693 -17.969 -10.499 1.00 30.09 ? 86 TYR A OH 1 ATOM 409 N N . SER A 1 52 ? -9.354 -17.191 -8.410 1.00 16.90 ? 87 SER A N 1 ATOM 410 C CA . SER A 1 52 ? -9.328 -15.755 -8.813 1.00 17.12 ? 87 SER A CA 1 ATOM 411 C C . SER A 1 52 ? -8.322 -15.606 -9.926 1.00 13.59 ? 87 SER A C 1 ATOM 412 O O . SER A 1 52 ? -8.543 -14.964 -10.907 1.00 14.09 ? 87 SER A O 1 ATOM 413 C CB . SER A 1 52 ? -8.836 -14.910 -7.682 1.00 17.23 ? 87 SER A CB 1 ATOM 414 O OG . SER A 1 52 ? -9.848 -15.016 -6.641 1.00 28.17 ? 87 SER A OG 1 ATOM 415 N N . ALA A 1 53 ? -7.231 -16.319 -9.778 1.00 12.94 ? 88 ALA A N 1 ATOM 416 C CA . ALA A 1 53 ? -6.118 -16.166 -10.680 1.00 13.26 ? 88 ALA A CA 1 ATOM 417 C C . ALA A 1 53 ? -6.558 -16.751 -12.026 1.00 13.49 ? 88 ALA A C 1 ATOM 418 O O . ALA A 1 53 ? -6.308 -16.139 -13.042 1.00 13.74 ? 88 ALA A O 1 ATOM 419 C CB . ALA A 1 53 ? -4.885 -16.890 -10.107 1.00 11.11 ? 88 ALA A CB 1 ATOM 420 N N . ARG A 1 54 ? -7.182 -17.930 -12.017 1.00 13.08 ? 89 ARG A N 1 ATOM 421 C CA . ARG A 1 54 ? -7.659 -18.602 -13.184 1.00 12.35 ? 89 ARG A CA 1 ATOM 422 C C . ARG A 1 54 ? -8.691 -17.736 -13.901 1.00 13.22 ? 89 ARG A C 1 ATOM 423 O O . ARG A 1 54 ? -8.608 -17.508 -15.110 1.00 14.15 ? 89 ARG A O 1 ATOM 424 C CB . ARG A 1 54 ? -8.210 -19.972 -12.819 1.00 13.61 ? 89 ARG A CB 1 ATOM 425 C CG . ARG A 1 54 ? -8.767 -20.762 -14.040 1.00 13.84 ? 89 ARG A CG 1 ATOM 426 C CD . ARG A 1 54 ? -8.851 -22.242 -13.602 1.00 17.80 ? 89 ARG A CD 1 ATOM 427 N NE . ARG A 1 54 ? -9.734 -22.404 -12.468 1.00 14.12 ? 89 ARG A NE 1 ATOM 428 C CZ . ARG A 1 54 ? -9.359 -22.654 -11.217 1.00 15.33 ? 89 ARG A CZ 1 ATOM 429 N NH1 . ARG A 1 54 ? -8.085 -22.661 -10.872 1.00 16.42 ? 89 ARG A NH1 1 ATOM 430 N NH2 . ARG A 1 54 ? -10.297 -22.814 -10.273 1.00 19.38 ? 89 ARG A NH2 1 ATOM 431 N N . GLN A 1 55 ? -9.637 -17.198 -13.155 1.00 13.46 ? 90 GLN A N 1 ATOM 432 C CA . GLN A 1 55 ? -10.617 -16.276 -13.742 1.00 14.03 ? 90 GLN A CA 1 ATOM 433 C C . GLN A 1 55 ? -9.966 -15.023 -14.357 1.00 12.88 ? 90 GLN A C 1 ATOM 434 O O . GLN A 1 55 ? -10.355 -14.604 -15.432 1.00 11.61 ? 90 GLN A O 1 ATOM 435 C CB . GLN A 1 55 ? -11.650 -15.857 -12.664 1.00 16.05 ? 90 GLN A CB 1 ATOM 436 C CG . GLN A 1 55 ? -12.473 -17.093 -12.180 1.00 20.90 ? 90 GLN A CG 1 ATOM 437 C CD . GLN A 1 55 ? -13.148 -17.801 -13.374 1.00 27.84 ? 90 GLN A CD 1 ATOM 438 O OE1 . GLN A 1 55 ? -13.673 -17.144 -14.294 1.00 34.63 ? 90 GLN A OE1 1 ATOM 439 N NE2 . GLN A 1 55 ? -13.100 -19.145 -13.388 1.00 33.43 ? 90 GLN A NE2 1 ATOM 440 N N . HIS A 1 56 ? -9.005 -14.440 -13.649 1.00 11.89 ? 91 HIS A N 1 ATOM 441 C CA . HIS A 1 56 ? -8.343 -13.287 -14.120 1.00 11.98 ? 91 HIS A CA 1 ATOM 442 C C . HIS A 1 56 ? -7.661 -13.592 -15.431 1.00 12.81 ? 91 HIS A C 1 ATOM 443 O O . HIS A 1 56 ? -7.851 -12.893 -16.450 1.00 11.01 ? 91 HIS A O 1 ATOM 444 C CB . HIS A 1 56 ? -7.316 -12.885 -13.117 1.00 11.83 ? 91 HIS A CB 1 ATOM 445 C CG . HIS A 1 56 ? -6.304 -11.934 -13.633 1.00 13.14 ? 91 HIS A CG 1 ATOM 446 N ND1 . HIS A 1 56 ? -6.621 -10.645 -14.031 1.00 14.64 ? 91 HIS A ND1 1 ATOM 447 C CD2 . HIS A 1 56 ? -4.955 -12.054 -13.752 1.00 13.46 ? 91 HIS A CD2 1 ATOM 448 C CE1 . HIS A 1 56 ? -5.517 -10.038 -14.419 1.00 15.75 ? 91 HIS A CE1 1 ATOM 449 N NE2 . HIS A 1 56 ? -4.489 -10.850 -14.220 1.00 13.94 ? 91 HIS A NE2 1 ATOM 450 N N . ILE A 1 57 ? -6.874 -14.646 -15.427 1.00 12.34 ? 92 ILE A N 1 ATOM 451 C CA . ILE A 1 57 ? -6.174 -15.025 -16.671 1.00 12.51 ? 92 ILE A CA 1 ATOM 452 C C . ILE A 1 57 ? -7.136 -15.186 -17.799 1.00 12.21 ? 92 ILE A C 1 ATOM 453 O O . ILE A 1 57 ? -6.965 -14.680 -18.890 1.00 11.62 ? 92 ILE A O 1 ATOM 454 C CB . ILE A 1 57 ? -5.425 -16.362 -16.476 1.00 12.21 ? 92 ILE A CB 1 ATOM 455 C CG1 . ILE A 1 57 ? -4.269 -16.145 -15.496 1.00 13.65 ? 92 ILE A CG1 1 ATOM 456 C CG2 . ILE A 1 57 ? -5.004 -16.994 -17.892 1.00 12.53 ? 92 ILE A CG2 1 ATOM 457 C CD1 . ILE A 1 57 ? -3.611 -17.444 -15.060 1.00 9.16 ? 92 ILE A CD1 1 ATOM 458 N N . MET A 1 58 ? -8.234 -15.893 -17.547 1.00 12.66 ? 93 MET A N 1 ATOM 459 C CA . MET A 1 58 ? -9.137 -16.134 -18.618 1.00 13.61 ? 93 MET A CA 1 ATOM 460 C C . MET A 1 58 ? -9.862 -14.873 -19.028 1.00 12.90 ? 93 MET A C 1 ATOM 461 O O . MET A 1 58 ? -10.109 -14.633 -20.219 1.00 13.32 ? 93 MET A O 1 ATOM 462 C CB . MET A 1 58 ? -10.153 -17.231 -18.230 1.00 13.20 ? 93 MET A CB 1 ATOM 463 C CG . MET A 1 58 ? -9.426 -18.529 -18.043 1.00 17.46 ? 93 MET A CG 1 ATOM 464 S SD . MET A 1 58 ? -10.532 -19.853 -17.706 1.00 23.31 ? 93 MET A SD 1 ATOM 465 C CE . MET A 1 58 ? -11.214 -19.319 -16.196 1.00 15.21 ? 93 MET A CE 1 ATOM 466 N N . GLN A 1 59 ? -10.226 -14.077 -18.055 1.00 14.72 ? 94 GLN A N 1 ATOM 467 C CA . GLN A 1 59 ? -10.857 -12.767 -18.401 1.00 16.06 ? 94 GLN A CA 1 ATOM 468 C C . GLN A 1 59 ? -9.939 -11.941 -19.290 1.00 16.56 ? 94 GLN A C 1 ATOM 469 O O . GLN A 1 59 ? -10.398 -11.346 -20.283 1.00 17.28 ? 94 GLN A O 1 ATOM 470 C CB . GLN A 1 59 ? -11.190 -12.019 -17.126 1.00 15.81 ? 94 GLN A CB 1 ATOM 471 C CG . GLN A 1 59 ? -11.877 -10.561 -17.264 1.00 19.98 ? 94 GLN A CG 1 ATOM 472 C CD . GLN A 1 59 ? -10.924 -9.328 -17.573 1.00 26.96 ? 94 GLN A CD 1 ATOM 473 O OE1 . GLN A 1 59 ? -9.740 -9.263 -17.158 1.00 28.33 ? 94 GLN A OE1 1 ATOM 474 N NE2 . GLN A 1 59 ? -11.483 -8.338 -18.282 1.00 28.05 ? 94 GLN A NE2 1 ATOM 475 N N . ARG A 1 60 ? -8.667 -11.892 -18.928 1.00 16.61 ? 95 ARG A N 1 ATOM 476 C CA . ARG A 1 60 ? -7.746 -11.072 -19.668 1.00 14.68 ? 95 ARG A CA 1 ATOM 477 C C . ARG A 1 60 ? -7.591 -11.568 -21.069 1.00 14.80 ? 95 ARG A C 1 ATOM 478 O O . ARG A 1 60 ? -7.360 -10.777 -21.989 1.00 16.78 ? 95 ARG A O 1 ATOM 479 C CB . ARG A 1 60 ? -6.358 -10.953 -18.974 1.00 12.00 ? 95 ARG A CB 1 ATOM 480 C CG . ARG A 1 60 ? -6.450 -10.224 -17.610 1.00 12.68 ? 95 ARG A CG 1 ATOM 481 C CD . ARG A 1 60 ? -6.871 -8.730 -17.804 1.00 10.80 ? 95 ARG A CD 1 ATOM 482 N NE . ARG A 1 60 ? -5.765 -8.083 -18.496 1.00 12.65 ? 95 ARG A NE 1 ATOM 483 C CZ . ARG A 1 60 ? -5.787 -6.861 -18.958 1.00 16.18 ? 95 ARG A CZ 1 ATOM 484 N NH1 . ARG A 1 60 ? -6.891 -6.108 -18.782 1.00 16.50 ? 95 ARG A NH1 1 ATOM 485 N NH2 . ARG A 1 60 ? -4.721 -6.413 -19.580 1.00 18.42 ? 95 ARG A NH2 1 ATOM 486 N N . ILE A 1 61 ? -7.654 -12.873 -21.263 1.00 12.97 ? 96 ILE A N 1 ATOM 487 C CA . ILE A 1 61 ? -7.527 -13.373 -22.589 1.00 12.97 ? 96 ILE A CA 1 ATOM 488 C C . ILE A 1 61 ? -8.782 -13.063 -23.354 1.00 15.55 ? 96 ILE A C 1 ATOM 489 O O . ILE A 1 61 ? -8.727 -12.667 -24.531 1.00 15.97 ? 96 ILE A O 1 ATOM 490 C CB . ILE A 1 61 ? -7.315 -14.909 -22.564 1.00 11.64 ? 96 ILE A CB 1 ATOM 491 C CG1 . ILE A 1 61 ? -5.867 -15.155 -22.114 1.00 15.15 ? 96 ILE A CG1 1 ATOM 492 C CG2 . ILE A 1 61 ? -7.338 -15.432 -23.967 1.00 10.80 ? 96 ILE A CG2 1 ATOM 493 C CD1 . ILE A 1 61 ? -5.603 -16.444 -21.461 1.00 21.27 ? 96 ILE A CD1 1 ATOM 494 N N . GLN A 1 62 ? -9.912 -13.302 -22.706 1.00 14.30 ? 97 GLN A N 1 ATOM 495 C CA . GLN A 1 62 ? -11.197 -13.239 -23.399 1.00 16.35 ? 97 GLN A CA 1 ATOM 496 C C . GLN A 1 62 ? -11.515 -11.802 -23.828 1.00 15.22 ? 97 GLN A C 1 ATOM 497 O O . GLN A 1 62 ? -12.226 -11.606 -24.775 1.00 17.02 ? 97 GLN A O 1 ATOM 498 C CB . GLN A 1 62 ? -12.294 -13.819 -22.464 1.00 17.05 ? 97 GLN A CB 1 ATOM 499 C CG . GLN A 1 62 ? -12.286 -15.406 -22.530 1.00 23.20 ? 97 GLN A CG 1 ATOM 500 C CD . GLN A 1 62 ? -12.781 -16.104 -21.234 1.00 31.19 ? 97 GLN A CD 1 ATOM 501 O OE1 . GLN A 1 62 ? -12.901 -15.463 -20.171 1.00 38.18 ? 97 GLN A OE1 1 ATOM 502 N NE2 . GLN A 1 62 ? -13.080 -17.423 -21.322 1.00 33.16 ? 97 GLN A NE2 1 ATOM 503 N N . ARG A 1 63 ? -11.050 -10.812 -23.093 1.00 15.35 ? 98 ARG A N 1 ATOM 504 C CA . ARG A 1 63 ? -11.322 -9.428 -23.453 1.00 15.68 ? 98 ARG A CA 1 ATOM 505 C C . ARG A 1 63 ? -10.580 -9.032 -24.726 1.00 17.13 ? 98 ARG A C 1 ATOM 506 O O . ARG A 1 63 ? -10.804 -7.939 -25.273 1.00 17.43 ? 98 ARG A O 1 ATOM 507 C CB . ARG A 1 63 ? -10.909 -8.475 -22.324 1.00 14.72 ? 98 ARG A CB 1 ATOM 508 C CG . ARG A 1 63 ? -9.372 -8.429 -22.117 1.00 12.08 ? 98 ARG A CG 1 ATOM 509 C CD . ARG A 1 63 ? -8.954 -7.486 -21.038 1.00 17.37 ? 98 ARG A CD 1 ATOM 510 N NE . ARG A 1 63 ? -9.233 -6.118 -21.487 1.00 19.38 ? 98 ARG A NE 1 ATOM 511 C CZ . ARG A 1 63 ? -8.397 -5.424 -22.244 1.00 25.42 ? 98 ARG A CZ 1 ATOM 512 N NH1 . ARG A 1 63 ? -7.206 -5.950 -22.554 1.00 19.53 ? 98 ARG A NH1 1 ATOM 513 N NH2 . ARG A 1 63 ? -8.725 -4.207 -22.682 1.00 25.93 ? 98 ARG A NH2 1 ATOM 514 N N . LEU A 1 64 ? -9.673 -9.870 -25.207 1.00 16.73 ? 99 LEU A N 1 ATOM 515 C CA . LEU A 1 64 ? -8.865 -9.488 -26.379 1.00 16.47 ? 99 LEU A CA 1 ATOM 516 C C . LEU A 1 64 ? -9.603 -9.718 -27.657 1.00 16.59 ? 99 LEU A C 1 ATOM 517 O O . LEU A 1 64 ? -10.597 -10.419 -27.711 1.00 17.70 ? 99 LEU A O 1 ATOM 518 C CB . LEU A 1 64 ? -7.541 -10.273 -26.424 1.00 14.83 ? 99 LEU A CB 1 ATOM 519 C CG . LEU A 1 64 ? -6.707 -9.843 -25.208 1.00 11.49 ? 99 LEU A CG 1 ATOM 520 C CD1 . LEU A 1 64 ? -5.471 -10.811 -25.174 1.00 7.67 ? 99 LEU A CD1 1 ATOM 521 C CD2 . LEU A 1 64 ? -6.307 -8.333 -25.321 1.00 14.90 ? 99 LEU A CD2 1 ATOM 522 N N . GLN A 1 65 ? -9.141 -9.094 -28.717 1.00 16.94 ? 100 GLN A N 1 ATOM 523 C CA . GLN A 1 65 ? -9.818 -9.272 -29.992 1.00 16.49 ? 100 GLN A CA 1 ATOM 524 C C . GLN A 1 65 ? -9.478 -10.523 -30.657 1.00 16.37 ? 100 GLN A C 1 ATOM 525 O O . GLN A 1 65 ? -10.357 -11.086 -31.337 1.00 15.87 ? 100 GLN A O 1 ATOM 526 C CB . GLN A 1 65 ? -9.545 -8.100 -31.008 1.00 18.49 ? 100 GLN A CB 1 ATOM 527 C CG . GLN A 1 65 ? -9.912 -6.773 -30.439 1.00 19.71 ? 100 GLN A CG 1 ATOM 528 C CD . GLN A 1 65 ? -11.399 -6.682 -30.101 1.00 23.31 ? 100 GLN A CD 1 ATOM 529 O OE1 . GLN A 1 65 ? -12.240 -7.053 -30.907 1.00 26.72 ? 100 GLN A OE1 1 ATOM 530 N NE2 . GLN A 1 65 ? -11.714 -6.273 -28.875 1.00 25.58 ? 100 GLN A NE2 1 ATOM 531 N N . ALA A 1 66 ? -8.230 -11.004 -30.546 1.00 14.57 ? 101 ALA A N 1 ATOM 532 C CA . ALA A 1 66 ? -7.900 -12.267 -31.148 1.00 14.70 ? 101 ALA A CA 1 ATOM 533 C C . ALA A 1 66 ? -8.829 -13.343 -30.619 1.00 15.99 ? 101 ALA A C 1 ATOM 534 O O . ALA A 1 66 ? -9.305 -13.244 -29.505 1.00 16.38 ? 101 ALA A O 1 ATOM 535 C CB . ALA A 1 66 ? -6.424 -12.659 -30.952 1.00 15.16 ? 101 ALA A CB 1 ATOM 536 N N . GLU A 1 67 ? -9.025 -14.364 -31.416 1.00 18.31 ? 102 GLU A N 1 ATOM 537 C CA . GLU A 1 67 ? -10.101 -15.307 -31.188 1.00 19.44 ? 102 GLU A CA 1 ATOM 538 C C . GLU A 1 67 ? -9.562 -16.479 -30.380 1.00 18.02 ? 102 GLU A C 1 ATOM 539 O O . GLU A 1 67 ? -9.554 -17.598 -30.829 1.00 18.03 ? 102 GLU A O 1 ATOM 540 C CB . GLU A 1 67 ? -10.628 -15.774 -32.518 1.00 21.76 ? 102 GLU A CB 1 ATOM 541 C CG . GLU A 1 67 ? -11.014 -14.594 -33.430 1.00 25.32 ? 102 GLU A CG 1 ATOM 542 C CD . GLU A 1 67 ? -11.810 -15.040 -34.642 1.00 33.82 ? 102 GLU A CD 1 ATOM 543 O OE1 . GLU A 1 67 ? -11.687 -16.222 -35.067 1.00 32.22 ? 102 GLU A OE1 1 ATOM 544 O OE2 . GLU A 1 67 ? -12.588 -14.207 -35.149 1.00 36.40 ? 102 GLU A OE2 1 ATOM 545 N N . TRP A 1 68 ? -9.089 -16.146 -29.189 1.00 17.40 ? 103 TRP A N 1 ATOM 546 C CA . TRP A 1 68 ? -8.520 -17.087 -28.269 1.00 16.17 ? 103 TRP A CA 1 ATOM 547 C C . TRP A 1 68 ? -9.612 -18.020 -27.841 1.00 16.15 ? 103 TRP A C 1 ATOM 548 O O . TRP A 1 68 ? -10.697 -17.598 -27.489 1.00 17.82 ? 103 TRP A O 1 ATOM 549 C CB . TRP A 1 68 ? -8.037 -16.352 -27.071 1.00 15.77 ? 103 TRP A CB 1 ATOM 550 C CG . TRP A 1 68 ? -6.788 -15.619 -27.319 1.00 13.98 ? 103 TRP A CG 1 ATOM 551 C CD1 . TRP A 1 68 ? -6.646 -14.294 -27.522 1.00 15.92 ? 103 TRP A CD1 1 ATOM 552 C CD2 . TRP A 1 68 ? -5.491 -16.195 -27.374 1.00 13.17 ? 103 TRP A CD2 1 ATOM 553 N NE1 . TRP A 1 68 ? -5.318 -13.998 -27.689 1.00 13.94 ? 103 TRP A NE1 1 ATOM 554 C CE2 . TRP A 1 68 ? -4.596 -15.164 -27.663 1.00 8.87 ? 103 TRP A CE2 1 ATOM 555 C CE3 . TRP A 1 68 ? -5.014 -17.515 -27.291 1.00 12.23 ? 103 TRP A CE3 1 ATOM 556 C CZ2 . TRP A 1 68 ? -3.213 -15.363 -27.705 1.00 12.91 ? 103 TRP A CZ2 1 ATOM 557 C CZ3 . TRP A 1 68 ? -3.628 -17.750 -27.388 1.00 11.07 ? 103 TRP A CZ3 1 ATOM 558 C CH2 . TRP A 1 68 ? -2.756 -16.679 -27.612 1.00 10.17 ? 103 TRP A CH2 1 ATOM 559 N N . VAL A 1 69 ? -9.338 -19.291 -27.915 1.00 15.68 ? 104 VAL A N 1 ATOM 560 C CA . VAL A 1 69 ? -10.280 -20.257 -27.422 1.00 17.88 ? 104 VAL A CA 1 ATOM 561 C C . VAL A 1 69 ? -9.696 -20.682 -26.083 1.00 17.60 ? 104 VAL A C 1 ATOM 562 O O . VAL A 1 69 ? -8.573 -21.188 -26.045 1.00 15.26 ? 104 VAL A O 1 ATOM 563 C CB . VAL A 1 69 ? -10.378 -21.444 -28.392 1.00 18.73 ? 104 VAL A CB 1 ATOM 564 C CG1 . VAL A 1 69 ? -11.232 -22.568 -27.749 1.00 19.79 ? 104 VAL A CG1 1 ATOM 565 C CG2 . VAL A 1 69 ? -10.937 -20.965 -29.741 1.00 19.20 ? 104 VAL A CG2 1 ATOM 566 N N . VAL A 1 70 ? -10.437 -20.456 -25.012 1.00 18.08 ? 105 VAL A N 1 ATOM 567 C CA . VAL A 1 70 ? -9.937 -20.714 -23.683 1.00 18.52 ? 105 VAL A CA 1 ATOM 568 C C . VAL A 1 70 ? -10.549 -21.979 -23.188 1.00 19.72 ? 105 VAL A C 1 ATOM 569 O O . VAL A 1 70 ? -11.759 -22.201 -23.394 1.00 20.15 ? 105 VAL A O 1 ATOM 570 C CB . VAL A 1 70 ? -10.285 -19.626 -22.751 1.00 19.60 ? 105 VAL A CB 1 ATOM 571 C CG1 . VAL A 1 70 ? -9.817 -19.952 -21.364 1.00 21.15 ? 105 VAL A CG1 1 ATOM 572 C CG2 . VAL A 1 70 ? -9.654 -18.327 -23.205 1.00 21.21 ? 105 VAL A CG2 1 ATOM 573 N N . GLU A 1 71 ? -9.721 -22.876 -22.650 1.00 18.30 ? 106 GLU A N 1 ATOM 574 C CA . GLU A 1 71 ? -10.197 -24.130 -22.070 1.00 18.78 ? 106 GLU A CA 1 ATOM 575 C C . GLU A 1 71 ? -9.515 -24.281 -20.760 1.00 18.99 ? 106 GLU A C 1 ATOM 576 O O . GLU A 1 71 ? -8.394 -23.846 -20.616 1.00 19.47 ? 106 GLU A O 1 ATOM 577 C CB . GLU A 1 71 ? -9.697 -25.313 -22.846 1.00 20.15 ? 106 GLU A CB 1 ATOM 578 C CG . GLU A 1 71 ? -9.970 -25.274 -24.277 1.00 26.76 ? 106 GLU A CG 1 ATOM 579 C CD . GLU A 1 71 ? -9.315 -26.410 -24.981 1.00 33.03 ? 106 GLU A CD 1 ATOM 580 O OE1 . GLU A 1 71 ? -10.076 -27.351 -25.248 1.00 40.60 ? 106 GLU A OE1 1 ATOM 581 O OE2 . GLU A 1 71 ? -8.057 -26.391 -25.239 1.00 36.01 ? 106 GLU A OE2 1 ATOM 582 N N . VAL A 1 72 ? -10.181 -24.934 -19.815 1.00 18.76 ? 107 VAL A N 1 ATOM 583 C CA . VAL A 1 72 ? -9.575 -25.263 -18.534 1.00 20.66 ? 107 VAL A CA 1 ATOM 584 C C . VAL A 1 72 ? -9.538 -26.783 -18.480 1.00 22.06 ? 107 VAL A C 1 ATOM 585 O O . VAL A 1 72 ? -10.574 -27.401 -18.697 1.00 23.50 ? 107 VAL A O 1 ATOM 586 C CB . VAL A 1 72 ? -10.433 -24.727 -17.418 1.00 21.69 ? 107 VAL A CB 1 ATOM 587 C CG1 . VAL A 1 72 ? -9.827 -25.038 -16.113 1.00 20.83 ? 107 VAL A CG1 1 ATOM 588 C CG2 . VAL A 1 72 ? -10.611 -23.197 -17.590 1.00 25.17 ? 107 VAL A CG2 1 ATOM 589 N N . ASP A 1 73 ? -8.340 -27.361 -18.308 1.00 20.45 ? 108 ASP A N 1 ATOM 590 C CA . ASP A 1 73 ? -8.148 -28.749 -18.097 1.00 20.64 ? 108 ASP A CA 1 ATOM 591 C C . ASP A 1 73 ? -8.146 -28.998 -16.573 1.00 19.19 ? 108 ASP A C 1 ATOM 592 O O . ASP A 1 73 ? -7.088 -28.832 -15.936 1.00 14.86 ? 108 ASP A O 1 ATOM 593 C CB . ASP A 1 73 ? -6.813 -29.127 -18.702 1.00 20.78 ? 108 ASP A CB 1 ATOM 594 C CG . ASP A 1 73 ? -6.341 -30.420 -18.254 1.00 23.77 ? 108 ASP A CG 1 ATOM 595 O OD1 . ASP A 1 73 ? -7.193 -31.352 -18.153 1.00 20.82 ? 108 ASP A OD1 1 ATOM 596 O OD2 . ASP A 1 73 ? -5.121 -30.534 -17.978 1.00 19.79 ? 108 ASP A OD2 1 ATOM 597 N N . THR A 1 74 ? -9.309 -29.373 -16.012 1.00 18.76 ? 109 THR A N 1 ATOM 598 C CA . THR A 1 74 ? -9.467 -29.563 -14.584 1.00 17.85 ? 109 THR A CA 1 ATOM 599 C C . THR A 1 74 ? -9.487 -31.057 -14.275 1.00 17.52 ? 109 THR A C 1 ATOM 600 O O . THR A 1 74 ? -10.148 -31.819 -14.976 1.00 15.90 ? 109 THR A O 1 ATOM 601 C CB . THR A 1 74 ? -10.743 -28.916 -14.023 1.00 19.56 ? 109 THR A CB 1 ATOM 602 O OG1 . THR A 1 74 ? -10.682 -27.504 -14.262 1.00 19.02 ? 109 THR A OG1 1 ATOM 603 C CG2 . THR A 1 74 ? -10.860 -29.158 -12.469 1.00 17.19 ? 109 THR A CG2 1 ATOM 604 N N . PHE A 1 75 ? -8.793 -31.471 -13.219 1.00 16.59 ? 110 PHE A N 1 ATOM 605 C CA . PHE A 1 75 ? -8.640 -32.918 -12.914 1.00 17.77 ? 110 PHE A CA 1 ATOM 606 C C . PHE A 1 75 ? -8.175 -32.932 -11.500 1.00 18.17 ? 110 PHE A C 1 ATOM 607 O O . PHE A 1 75 ? -7.779 -31.906 -10.958 1.00 19.79 ? 110 PHE A O 1 ATOM 608 C CB . PHE A 1 75 ? -7.553 -33.592 -13.726 1.00 15.54 ? 110 PHE A CB 1 ATOM 609 C CG . PHE A 1 75 ? -6.258 -32.864 -13.634 1.00 18.17 ? 110 PHE A CG 1 ATOM 610 C CD1 . PHE A 1 75 ? -5.252 -33.290 -12.753 1.00 12.80 ? 110 PHE A CD1 1 ATOM 611 C CD2 . PHE A 1 75 ? -6.073 -31.702 -14.364 1.00 17.77 ? 110 PHE A CD2 1 ATOM 612 C CE1 . PHE A 1 75 ? -4.036 -32.595 -12.622 1.00 13.43 ? 110 PHE A CE1 1 ATOM 613 C CE2 . PHE A 1 75 ? -4.849 -31.000 -14.269 1.00 15.64 ? 110 PHE A CE2 1 ATOM 614 C CZ . PHE A 1 75 ? -3.854 -31.429 -13.378 1.00 14.77 ? 110 PHE A CZ 1 ATOM 615 N N . LEU A 1 76 ? -8.262 -34.110 -10.905 1.00 18.57 ? 111 LEU A N 1 ATOM 616 C CA . LEU A 1 76 ? -7.784 -34.353 -9.581 1.00 18.41 ? 111 LEU A CA 1 ATOM 617 C C . LEU A 1 76 ? -6.567 -35.253 -9.676 1.00 18.45 ? 111 LEU A C 1 ATOM 618 O O . LEU A 1 76 ? -6.507 -36.194 -10.471 1.00 19.05 ? 111 LEU A O 1 ATOM 619 C CB . LEU A 1 76 ? -8.841 -35.114 -8.772 1.00 18.86 ? 111 LEU A CB 1 ATOM 620 C CG . LEU A 1 76 ? -10.216 -34.487 -8.716 1.00 20.49 ? 111 LEU A CG 1 ATOM 621 C CD1 . LEU A 1 76 ? -11.193 -35.503 -7.995 1.00 25.81 ? 111 LEU A CD1 1 ATOM 622 C CD2 . LEU A 1 76 ? -10.113 -33.210 -7.926 1.00 22.35 ? 111 LEU A CD2 1 ATOM 623 N N . SER A 1 77 ? -5.628 -35.009 -8.782 1.00 18.66 ? 112 SER A N 1 ATOM 624 C CA . SER A 1 77 ? -4.472 -35.814 -8.822 1.00 17.89 ? 112 SER A CA 1 ATOM 625 C C . SER A 1 77 ? -4.082 -35.922 -7.405 1.00 17.59 ? 112 SER A C 1 ATOM 626 O O . SER A 1 77 ? -4.312 -34.986 -6.595 1.00 16.00 ? 112 SER A O 1 ATOM 627 C CB . SER A 1 77 ? -3.417 -35.101 -9.648 1.00 18.23 ? 112 SER A CB 1 ATOM 628 O OG . SER A 1 77 ? -2.335 -35.948 -9.884 1.00 25.81 ? 112 SER A OG 1 ATOM 629 N N . ARG A 1 78 ? -3.449 -37.036 -7.080 1.00 15.22 ? 113 ARG A N 1 ATOM 630 C CA . ARG A 1 78 ? -3.013 -37.219 -5.709 1.00 17.64 ? 113 ARG A CA 1 ATOM 631 C C . ARG A 1 78 ? -1.756 -36.461 -5.409 1.00 16.54 ? 113 ARG A C 1 ATOM 632 O O . ARG A 1 78 ? -0.755 -36.562 -6.132 1.00 16.93 ? 113 ARG A O 1 ATOM 633 C CB . ARG A 1 78 ? -2.828 -38.712 -5.458 1.00 18.21 ? 113 ARG A CB 1 ATOM 634 C CG . ARG A 1 78 ? -2.120 -39.050 -4.240 1.00 22.82 ? 113 ARG A CG 1 ATOM 635 C CD . ARG A 1 78 ? -2.286 -40.519 -3.896 1.00 31.29 ? 113 ARG A CD 1 ATOM 636 N NE . ARG A 1 78 ? -3.288 -40.509 -2.848 1.00 38.09 ? 113 ARG A NE 1 ATOM 637 C CZ . ARG A 1 78 ? -3.004 -40.173 -1.594 1.00 42.80 ? 113 ARG A CZ 1 ATOM 638 N NH1 . ARG A 1 78 ? -3.968 -40.122 -0.673 1.00 44.41 ? 113 ARG A NH1 1 ATOM 639 N NH2 . ARG A 1 78 ? -1.736 -39.891 -1.262 1.00 46.66 ? 113 ARG A NH2 1 ATOM 640 N N . THR A 1 79 ? -1.811 -35.689 -4.338 1.00 16.17 ? 114 THR A N 1 ATOM 641 C CA . THR A 1 79 ? -0.685 -34.988 -3.858 1.00 14.50 ? 114 THR A CA 1 ATOM 642 C C . THR A 1 79 ? -0.331 -35.542 -2.456 1.00 17.26 ? 114 THR A C 1 ATOM 643 O O . THR A 1 79 ? -1.136 -36.306 -1.904 1.00 16.56 ? 114 THR A O 1 ATOM 644 C CB . THR A 1 79 ? -1.076 -33.516 -3.590 1.00 15.64 ? 114 THR A CB 1 ATOM 645 O OG1 . THR A 1 79 ? -1.830 -33.447 -2.350 1.00 15.69 ? 114 THR A OG1 1 ATOM 646 C CG2 . THR A 1 79 ? -1.930 -32.933 -4.774 1.00 12.89 ? 114 THR A CG2 1 ATOM 647 N N . PRO A 1 80 ? 0.783 -35.066 -1.842 1.00 16.59 ? 115 PRO A N 1 ATOM 648 C CA . PRO A 1 80 ? 1.023 -35.561 -0.455 1.00 18.87 ? 115 PRO A CA 1 ATOM 649 C C . PRO A 1 80 ? -0.081 -35.256 0.529 1.00 19.84 ? 115 PRO A C 1 ATOM 650 O O . PRO A 1 80 ? -0.087 -35.820 1.618 1.00 21.86 ? 115 PRO A O 1 ATOM 651 C CB . PRO A 1 80 ? 2.309 -34.820 -0.033 1.00 17.96 ? 115 PRO A CB 1 ATOM 652 C CG . PRO A 1 80 ? 3.018 -34.673 -1.264 1.00 17.72 ? 115 PRO A CG 1 ATOM 653 C CD . PRO A 1 80 ? 2.008 -34.480 -2.383 1.00 15.28 ? 115 PRO A CD 1 ATOM 654 N N . TYR A 1 81 ? -1.037 -34.401 0.165 1.00 20.60 ? 116 TYR A N 1 ATOM 655 C CA . TYR A 1 81 ? -2.089 -34.017 1.091 1.00 20.98 ? 116 TYR A CA 1 ATOM 656 C C . TYR A 1 81 ? -3.343 -34.720 0.720 1.00 22.12 ? 116 TYR A C 1 ATOM 657 O O . TYR A 1 81 ? -4.403 -34.474 1.351 1.00 23.76 ? 116 TYR A O 1 ATOM 658 C CB . TYR A 1 81 ? -2.333 -32.483 1.092 1.00 20.74 ? 116 TYR A CB 1 ATOM 659 C CG . TYR A 1 81 ? -1.243 -31.731 1.761 1.00 21.08 ? 116 TYR A CG 1 ATOM 660 C CD1 . TYR A 1 81 ? -1.209 -31.645 3.143 1.00 28.78 ? 116 TYR A CD1 1 ATOM 661 C CD2 . TYR A 1 81 ? -0.239 -31.090 1.028 1.00 16.71 ? 116 TYR A CD2 1 ATOM 662 C CE1 . TYR A 1 81 ? -0.183 -30.955 3.792 1.00 29.70 ? 116 TYR A CE1 1 ATOM 663 C CE2 . TYR A 1 81 ? 0.780 -30.427 1.658 1.00 18.49 ? 116 TYR A CE2 1 ATOM 664 C CZ . TYR A 1 81 ? 0.816 -30.352 3.021 1.00 25.52 ? 116 TYR A CZ 1 ATOM 665 O OH . TYR A 1 81 ? 1.841 -29.678 3.662 1.00 28.52 ? 116 TYR A OH 1 ATOM 666 N N . GLY A 1 82 ? -3.269 -35.602 -0.280 1.00 20.98 ? 117 GLY A N 1 ATOM 667 C CA . GLY A 1 82 ? -4.482 -36.240 -0.722 1.00 20.04 ? 117 GLY A CA 1 ATOM 668 C C . GLY A 1 82 ? -4.823 -35.781 -2.127 1.00 21.84 ? 117 GLY A C 1 ATOM 669 O O . GLY A 1 82 ? -4.012 -35.101 -2.763 1.00 21.73 ? 117 GLY A O 1 ATOM 670 N N . TYR A 1 83 ? -6.010 -36.142 -2.624 1.00 20.77 ? 118 TYR A N 1 ATOM 671 C CA . TYR A 1 83 ? -6.376 -35.742 -3.955 1.00 20.25 ? 118 TYR A CA 1 ATOM 672 C C . TYR A 1 83 ? -6.711 -34.246 -3.939 1.00 18.78 ? 118 TYR A C 1 ATOM 673 O O . TYR A 1 83 ? -7.261 -33.722 -2.977 1.00 17.57 ? 118 TYR A O 1 ATOM 674 C CB . TYR A 1 83 ? -7.490 -36.614 -4.504 1.00 22.68 ? 118 TYR A CB 1 ATOM 675 C CG . TYR A 1 83 ? -6.961 -37.877 -5.237 1.00 23.28 ? 118 TYR A CG 1 ATOM 676 C CD1 . TYR A 1 83 ? -6.879 -37.897 -6.593 1.00 25.48 ? 118 TYR A CD1 1 ATOM 677 C CD2 . TYR A 1 83 ? -6.532 -39.037 -4.553 1.00 28.95 ? 118 TYR A CD2 1 ATOM 678 C CE1 . TYR A 1 83 ? -6.403 -38.997 -7.296 1.00 27.83 ? 118 TYR A CE1 1 ATOM 679 C CE2 . TYR A 1 83 ? -6.050 -40.178 -5.264 1.00 29.37 ? 118 TYR A CE2 1 ATOM 680 C CZ . TYR A 1 83 ? -5.991 -40.129 -6.646 1.00 28.14 ? 118 TYR A CZ 1 ATOM 681 O OH . TYR A 1 83 ? -5.546 -41.179 -7.445 1.00 33.42 ? 118 TYR A OH 1 ATOM 682 N N . ARG A 1 84 ? -6.285 -33.557 -4.991 1.00 18.37 ? 119 ARG A N 1 ATOM 683 C CA . ARG A 1 84 ? -6.532 -32.120 -5.090 1.00 16.47 ? 119 ARG A CA 1 ATOM 684 C C . ARG A 1 84 ? -6.940 -31.841 -6.518 1.00 15.91 ? 119 ARG A C 1 ATOM 685 O O . ARG A 1 84 ? -6.563 -32.560 -7.450 1.00 14.79 ? 119 ARG A O 1 ATOM 686 C CB . ARG A 1 84 ? -5.273 -31.329 -4.760 1.00 14.97 ? 119 ARG A CB 1 ATOM 687 C CG . ARG A 1 84 ? -4.879 -31.292 -3.311 1.00 15.93 ? 119 ARG A CG 1 ATOM 688 C CD . ARG A 1 84 ? -5.943 -30.675 -2.484 1.00 13.79 ? 119 ARG A CD 1 ATOM 689 N NE . ARG A 1 84 ? -5.499 -30.634 -1.106 1.00 16.82 ? 119 ARG A NE 1 ATOM 690 C CZ . ARG A 1 84 ? -5.858 -31.544 -0.219 1.00 17.31 ? 119 ARG A CZ 1 ATOM 691 N NH1 . ARG A 1 84 ? -6.639 -32.546 -0.609 1.00 20.50 ? 119 ARG A NH1 1 ATOM 692 N NH2 . ARG A 1 84 ? -5.429 -31.451 1.027 1.00 18.71 ? 119 ARG A NH2 1 ATOM 693 N N . SER A 1 85 ? -7.688 -30.761 -6.688 1.00 14.41 ? 120 SER A N 1 ATOM 694 C CA . SER A 1 85 ? -8.092 -30.386 -7.989 1.00 13.43 ? 120 SER A CA 1 ATOM 695 C C . SER A 1 85 ? -7.083 -29.416 -8.609 1.00 14.47 ? 120 SER A C 1 ATOM 696 O O . SER A 1 85 ? -6.515 -28.589 -7.872 1.00 15.22 ? 120 SER A O 1 ATOM 697 C CB . SER A 1 85 ? -9.416 -29.667 -7.842 1.00 15.25 ? 120 SER A CB 1 ATOM 698 O OG . SER A 1 85 ? -9.875 -29.403 -9.119 1.00 16.69 ? 120 SER A OG 1 ATOM 699 N N . PHE A 1 86 ? -6.840 -29.572 -9.913 1.00 13.96 ? 121 PHE A N 1 ATOM 700 C CA . PHE A 1 86 ? -5.985 -28.630 -10.601 1.00 13.99 ? 121 PHE A CA 1 ATOM 701 C C . PHE A 1 86 ? -6.701 -28.194 -11.867 1.00 13.71 ? 121 PHE A C 1 ATOM 702 O O . PHE A 1 86 ? -7.464 -28.956 -12.473 1.00 13.72 ? 121 PHE A O 1 ATOM 703 C CB . PHE A 1 86 ? -4.702 -29.288 -10.985 1.00 12.21 ? 121 PHE A CB 1 ATOM 704 C CG . PHE A 1 86 ? -3.931 -29.840 -9.837 1.00 15.14 ? 121 PHE A CG 1 ATOM 705 C CD1 . PHE A 1 86 ? -2.896 -29.107 -9.306 1.00 13.45 ? 121 PHE A CD1 1 ATOM 706 C CD2 . PHE A 1 86 ? -4.252 -31.093 -9.290 1.00 14.49 ? 121 PHE A CD2 1 ATOM 707 C CE1 . PHE A 1 86 ? -2.134 -29.604 -8.228 1.00 15.42 ? 121 PHE A CE1 1 ATOM 708 C CE2 . PHE A 1 86 ? -3.511 -31.606 -8.237 1.00 15.02 ? 121 PHE A CE2 1 ATOM 709 C CZ . PHE A 1 86 ? -2.464 -30.852 -7.697 1.00 15.41 ? 121 PHE A CZ 1 ATOM 710 N N . SER A 1 87 ? -6.431 -26.970 -12.318 1.00 13.75 ? 122 SER A N 1 ATOM 711 C CA . SER A 1 87 ? -6.978 -26.578 -13.594 1.00 14.08 ? 122 SER A CA 1 ATOM 712 C C . SER A 1 87 ? -5.912 -25.906 -14.405 1.00 12.87 ? 122 SER A C 1 ATOM 713 O O . SER A 1 87 ? -5.542 -24.794 -14.091 1.00 12.33 ? 122 SER A O 1 ATOM 714 C CB . SER A 1 87 ? -8.104 -25.598 -13.360 1.00 13.76 ? 122 SER A CB 1 ATOM 715 O OG . SER A 1 87 ? -9.129 -26.190 -12.581 1.00 18.87 ? 122 SER A OG 1 ATOM 716 N N . ASN A 1 88 ? -5.421 -26.595 -15.402 1.00 11.42 ? 123 ASN A N 1 ATOM 717 C CA . ASN A 1 88 ? -4.583 -25.925 -16.362 1.00 11.75 ? 123 ASN A CA 1 ATOM 718 C C . ASN A 1 88 ? -5.473 -24.993 -17.157 1.00 13.18 ? 123 ASN A C 1 ATOM 719 O O . ASN A 1 88 ? -6.645 -25.320 -17.442 1.00 14.24 ? 123 ASN A O 1 ATOM 720 C CB . ASN A 1 88 ? -3.996 -26.888 -17.316 1.00 11.29 ? 123 ASN A CB 1 ATOM 721 C CG . ASN A 1 88 ? -3.057 -27.877 -16.659 1.00 12.22 ? 123 ASN A CG 1 ATOM 722 O OD1 . ASN A 1 88 ? -3.107 -29.120 -16.933 1.00 16.57 ? 123 ASN A OD1 1 ATOM 723 N ND2 . ASN A 1 88 ? -2.231 -27.391 -15.818 1.00 8.25 ? 123 ASN A ND2 1 ATOM 724 N N . ILE A 1 89 ? -4.894 -23.879 -17.577 1.00 11.20 ? 124 ILE A N 1 ATOM 725 C CA . ILE A 1 89 ? -5.629 -23.035 -18.533 1.00 12.04 ? 124 ILE A CA 1 ATOM 726 C C . ILE A 1 89 ? -4.912 -23.071 -19.877 1.00 11.82 ? 124 ILE A C 1 ATOM 727 O O . ILE A 1 89 ? -3.714 -22.877 -19.967 1.00 12.92 ? 124 ILE A O 1 ATOM 728 C CB . ILE A 1 89 ? -5.665 -21.613 -18.029 1.00 10.08 ? 124 ILE A CB 1 ATOM 729 C CG1 . ILE A 1 89 ? -6.180 -21.609 -16.599 1.00 12.09 ? 124 ILE A CG1 1 ATOM 730 C CG2 . ILE A 1 89 ? -6.505 -20.715 -18.937 1.00 13.38 ? 124 ILE A CG2 1 ATOM 731 C CD1 . ILE A 1 89 ? -5.961 -20.313 -16.022 1.00 9.71 ? 124 ILE A CD1 1 ATOM 732 N N . ILE A 1 90 ? -5.670 -23.305 -20.915 1.00 12.60 ? 125 ILE A N 1 ATOM 733 C CA . ILE A 1 90 ? -5.100 -23.394 -22.222 1.00 11.69 ? 125 ILE A CA 1 ATOM 734 C C . ILE A 1 90 ? -5.824 -22.363 -23.057 1.00 12.26 ? 125 ILE A C 1 ATOM 735 O O . ILE A 1 90 ? -7.039 -22.387 -23.149 1.00 11.43 ? 125 ILE A O 1 ATOM 736 C CB . ILE A 1 90 ? -5.247 -24.749 -22.848 1.00 12.95 ? 125 ILE A CB 1 ATOM 737 C CG1 . ILE A 1 90 ? -4.601 -25.816 -21.985 1.00 12.44 ? 125 ILE A CG1 1 ATOM 738 C CG2 . ILE A 1 90 ? -4.526 -24.734 -24.259 1.00 12.26 ? 125 ILE A CG2 1 ATOM 739 C CD1 . ILE A 1 90 ? -5.479 -26.428 -20.971 1.00 14.08 ? 125 ILE A CD1 1 ATOM 740 N N . SER A 1 91 ? -5.065 -21.516 -23.724 1.00 12.79 ? 126 SER A N 1 ATOM 741 C CA . SER A 1 91 ? -5.696 -20.453 -24.545 1.00 12.88 ? 126 SER A CA 1 ATOM 742 C C . SER A 1 91 ? -5.157 -20.672 -25.898 1.00 10.87 ? 126 SER A C 1 ATOM 743 O O . SER A 1 91 ? -3.962 -20.678 -26.042 1.00 10.88 ? 126 SER A O 1 ATOM 744 C CB . SER A 1 91 ? -5.160 -19.080 -24.059 1.00 13.27 ? 126 SER A CB 1 ATOM 745 O OG . SER A 1 91 ? -6.041 -18.112 -24.600 1.00 22.99 ? 126 SER A OG 1 ATOM 746 N N . THR A 1 92 ? -5.994 -20.871 -26.917 1.00 13.64 ? 127 THR A N 1 ATOM 747 C CA . THR A 1 92 ? -5.468 -21.269 -28.226 1.00 13.57 ? 127 THR A CA 1 ATOM 748 C C . THR A 1 92 ? -6.030 -20.431 -29.338 1.00 14.84 ? 127 THR A C 1 ATOM 749 O O . THR A 1 92 ? -7.242 -20.241 -29.424 1.00 16.71 ? 127 THR A O 1 ATOM 750 C CB . THR A 1 92 ? -5.792 -22.748 -28.538 1.00 14.65 ? 127 THR A CB 1 ATOM 751 O OG1 . THR A 1 92 ? -5.424 -23.586 -27.441 1.00 15.62 ? 127 THR A OG1 1 ATOM 752 C CG2 . THR A 1 92 ? -5.172 -23.168 -29.806 1.00 13.20 ? 127 THR A CG2 1 ATOM 753 N N . LEU A 1 93 ? -5.159 -19.905 -30.175 1.00 15.34 ? 128 LEU A N 1 ATOM 754 C CA . LEU A 1 93 ? -5.567 -19.250 -31.365 1.00 15.24 ? 128 LEU A CA 1 ATOM 755 C C . LEU A 1 93 ? -5.563 -20.261 -32.462 1.00 15.53 ? 128 LEU A C 1 ATOM 756 O O . LEU A 1 93 ? -4.631 -21.040 -32.624 1.00 16.50 ? 128 LEU A O 1 ATOM 757 C CB . LEU A 1 93 ? -4.628 -18.125 -31.758 1.00 16.52 ? 128 LEU A CB 1 ATOM 758 C CG . LEU A 1 93 ? -4.768 -16.831 -30.921 1.00 11.87 ? 128 LEU A CG 1 ATOM 759 C CD1 . LEU A 1 93 ? -3.691 -15.819 -31.314 1.00 12.77 ? 128 LEU A CD1 1 ATOM 760 C CD2 . LEU A 1 93 ? -6.226 -16.234 -31.023 1.00 16.36 ? 128 LEU A CD2 1 ATOM 761 N N . ASN A 1 94 ? -6.646 -20.293 -33.224 1.00 16.99 ? 129 ASN A N 1 ATOM 762 C CA . ASN A 1 94 ? -6.720 -21.263 -34.344 1.00 18.38 ? 129 ASN A CA 1 ATOM 763 C C . ASN A 1 94 ? -6.554 -22.712 -33.838 1.00 17.85 ? 129 ASN A C 1 ATOM 764 O O . ASN A 1 94 ? -5.593 -23.380 -34.123 1.00 17.12 ? 129 ASN A O 1 ATOM 765 C CB . ASN A 1 94 ? -5.696 -20.879 -35.409 1.00 20.13 ? 129 ASN A CB 1 ATOM 766 C CG . ASN A 1 94 ? -5.767 -19.359 -35.772 1.00 21.18 ? 129 ASN A CG 1 ATOM 767 O OD1 . ASN A 1 94 ? -6.621 -18.920 -36.560 1.00 28.04 ? 129 ASN A OD1 1 ATOM 768 N ND2 . ASN A 1 94 ? -4.900 -18.583 -35.207 1.00 15.81 ? 129 ASN A ND2 1 ATOM 769 N N . PRO A 1 95 ? -7.489 -23.162 -33.021 1.00 19.32 ? 130 PRO A N 1 ATOM 770 C CA . PRO A 1 95 ? -7.359 -24.486 -32.473 1.00 20.83 ? 130 PRO A CA 1 ATOM 771 C C . PRO A 1 95 ? -7.236 -25.542 -33.560 1.00 21.28 ? 130 PRO A C 1 ATOM 772 O O . PRO A 1 95 ? -6.653 -26.540 -33.281 1.00 22.99 ? 130 PRO A O 1 ATOM 773 C CB . PRO A 1 95 ? -8.659 -24.672 -31.678 1.00 19.87 ? 130 PRO A CB 1 ATOM 774 C CG . PRO A 1 95 ? -9.497 -23.483 -31.971 1.00 21.96 ? 130 PRO A CG 1 ATOM 775 C CD . PRO A 1 95 ? -8.568 -22.418 -32.345 1.00 19.46 ? 130 PRO A CD 1 ATOM 776 N N . GLU A 1 96 ? -7.732 -25.286 -34.789 1.00 22.42 ? 131 GLU A N 1 ATOM 777 C CA . GLU A 1 96 ? -7.660 -26.211 -35.928 1.00 23.60 ? 131 GLU A CA 1 ATOM 778 C C . GLU A 1 96 ? -6.280 -26.243 -36.556 1.00 24.09 ? 131 GLU A C 1 ATOM 779 O O . GLU A 1 96 ? -5.922 -27.158 -37.299 1.00 23.88 ? 131 GLU A O 1 ATOM 780 C CB . GLU A 1 96 ? -8.681 -25.804 -37.022 1.00 24.34 ? 131 GLU A CB 1 ATOM 781 C CG . GLU A 1 96 ? -8.375 -24.461 -37.794 1.00 30.60 ? 131 GLU A CG 1 ATOM 782 C CD . GLU A 1 96 ? -8.547 -23.112 -36.988 1.00 34.87 ? 131 GLU A CD 1 ATOM 783 O OE1 . GLU A 1 96 ? -9.136 -23.101 -35.876 1.00 37.54 ? 131 GLU A OE1 1 ATOM 784 O OE2 . GLU A 1 96 ? -8.102 -22.049 -37.513 1.00 36.85 ? 131 GLU A OE2 1 ATOM 785 N N . ALA A 1 97 ? -5.483 -25.224 -36.293 1.00 22.95 ? 132 ALA A N 1 ATOM 786 C CA . ALA A 1 97 ? -4.174 -25.209 -36.925 1.00 22.36 ? 132 ALA A CA 1 ATOM 787 C C . ALA A 1 97 ? -3.361 -26.419 -36.429 1.00 21.85 ? 132 ALA A C 1 ATOM 788 O O . ALA A 1 97 ? -3.364 -26.745 -35.240 1.00 20.18 ? 132 ALA A O 1 ATOM 789 C CB . ALA A 1 97 ? -3.466 -23.899 -36.660 1.00 22.56 ? 132 ALA A CB 1 ATOM 790 N N . LYS A 1 98 ? -2.698 -27.092 -37.346 1.00 21.01 ? 133 LYS A N 1 ATOM 791 C CA . LYS A 1 98 ? -1.954 -28.263 -36.978 1.00 21.87 ? 133 LYS A CA 1 ATOM 792 C C . LYS A 1 98 ? -0.860 -27.920 -35.964 1.00 20.92 ? 133 LYS A C 1 ATOM 793 O O . LYS A 1 98 ? -0.668 -28.660 -35.038 1.00 21.52 ? 133 LYS A O 1 ATOM 794 C CB . LYS A 1 98 ? -1.371 -28.905 -38.204 1.00 22.82 ? 133 LYS A CB 1 ATOM 795 C CG . LYS A 1 98 ? -2.468 -29.583 -39.049 1.00 24.01 ? 133 LYS A CG 1 ATOM 796 C CD . LYS A 1 98 ? -1.851 -30.519 -40.079 1.00 26.72 ? 133 LYS A CD 1 ATOM 797 C CE . LYS A 1 98 ? -0.897 -29.745 -40.961 1.00 26.64 ? 133 LYS A CE 1 ATOM 798 N NZ . LYS A 1 98 ? -1.530 -28.585 -41.712 1.00 31.73 ? 133 LYS A NZ 1 ATOM 799 N N . ARG A 1 99 ? -0.211 -26.775 -36.148 1.00 18.82 ? 134 ARG A N 1 ATOM 800 C CA . ARG A 1 99 ? 0.944 -26.348 -35.336 1.00 18.22 ? 134 ARG A CA 1 ATOM 801 C C . ARG A 1 99 ? 0.631 -25.149 -34.467 1.00 16.26 ? 134 ARG A C 1 ATOM 802 O O . ARG A 1 99 ? -0.050 -24.183 -34.851 1.00 17.43 ? 134 ARG A O 1 ATOM 803 C CB . ARG A 1 99 ? 2.122 -25.999 -36.220 1.00 17.37 ? 134 ARG A CB 1 ATOM 804 C CG . ARG A 1 99 ? 2.611 -27.204 -37.013 1.00 23.54 ? 134 ARG A CG 1 ATOM 805 C CD . ARG A 1 99 ? 3.481 -26.766 -38.158 1.00 19.74 ? 134 ARG A CD 1 ATOM 806 N NE . ARG A 1 99 ? 4.573 -25.913 -37.761 1.00 23.88 ? 134 ARG A NE 1 ATOM 807 C CZ . ARG A 1 99 ? 5.204 -25.097 -38.579 1.00 26.05 ? 134 ARG A CZ 1 ATOM 808 N NH1 . ARG A 1 99 ? 4.835 -25.047 -39.872 1.00 27.76 ? 134 ARG A NH1 1 ATOM 809 N NH2 . ARG A 1 99 ? 6.163 -24.287 -38.113 1.00 27.03 ? 134 ARG A NH2 1 ATOM 810 N N . HIS A 1 100 ? 1.145 -25.190 -33.247 1.00 16.95 ? 135 HIS A N 1 ATOM 811 C CA . HIS A 1 100 ? 1.166 -23.971 -32.431 1.00 15.19 ? 135 HIS A CA 1 ATOM 812 C C . HIS A 1 100 ? 2.488 -23.782 -31.769 1.00 13.77 ? 135 HIS A C 1 ATOM 813 O O . HIS A 1 100 ? 3.100 -24.741 -31.333 1.00 15.20 ? 135 HIS A O 1 ATOM 814 C CB . HIS A 1 100 ? 0.107 -24.097 -31.342 1.00 14.19 ? 135 HIS A CB 1 ATOM 815 C CG . HIS A 1 100 ? -1.269 -24.001 -31.865 1.00 17.47 ? 135 HIS A CG 1 ATOM 816 N ND1 . HIS A 1 100 ? -1.885 -25.058 -32.488 1.00 16.31 ? 135 HIS A ND1 1 ATOM 817 C CD2 . HIS A 1 100 ? -2.148 -22.969 -31.903 1.00 17.58 ? 135 HIS A CD2 1 ATOM 818 C CE1 . HIS A 1 100 ? -3.083 -24.682 -32.893 1.00 14.83 ? 135 HIS A CE1 1 ATOM 819 N NE2 . HIS A 1 100 ? -3.259 -23.414 -32.573 1.00 15.17 ? 135 HIS A NE2 1 ATOM 820 N N . LEU A 1 101 ? 2.938 -22.528 -31.728 1.00 14.29 ? 136 LEU A N 1 ATOM 821 C CA . LEU A 1 101 ? 4.000 -22.097 -30.864 1.00 12.95 ? 136 LEU A CA 1 ATOM 822 C C . LEU A 1 101 ? 3.259 -22.026 -29.538 1.00 12.52 ? 136 LEU A C 1 ATOM 823 O O . LEU A 1 101 ? 2.116 -21.586 -29.472 1.00 11.26 ? 136 LEU A O 1 ATOM 824 C CB . LEU A 1 101 ? 4.486 -20.723 -31.297 1.00 13.43 ? 136 LEU A CB 1 ATOM 825 C CG . LEU A 1 101 ? 5.446 -20.082 -30.327 1.00 14.94 ? 136 LEU A CG 1 ATOM 826 C CD1 . LEU A 1 101 ? 6.758 -20.943 -30.200 1.00 11.10 ? 136 LEU A CD1 1 ATOM 827 C CD2 . LEU A 1 101 ? 5.687 -18.713 -30.751 1.00 12.59 ? 136 LEU A CD2 1 ATOM 828 N N . VAL A 1 102 ? 3.881 -22.570 -28.502 1.00 10.42 ? 137 VAL A N 1 ATOM 829 C CA . VAL A 1 102 ? 3.212 -22.554 -27.202 1.00 11.04 ? 137 VAL A CA 1 ATOM 830 C C . VAL A 1 102 ? 4.081 -21.768 -26.217 1.00 10.25 ? 137 VAL A C 1 ATOM 831 O O . VAL A 1 102 ? 5.269 -22.017 -26.099 1.00 10.67 ? 137 VAL A O 1 ATOM 832 C CB . VAL A 1 102 ? 3.036 -23.951 -26.722 1.00 9.36 ? 137 VAL A CB 1 ATOM 833 C CG1 . VAL A 1 102 ? 2.163 -23.922 -25.390 1.00 12.53 ? 137 VAL A CG1 1 ATOM 834 C CG2 . VAL A 1 102 ? 2.460 -24.780 -27.774 1.00 13.38 ? 137 VAL A CG2 1 ATOM 835 N N . LEU A 1 103 ? 3.453 -20.846 -25.502 1.00 9.16 ? 138 LEU A N 1 ATOM 836 C CA . LEU A 1 103 ? 4.102 -20.079 -24.458 1.00 10.98 ? 138 LEU A CA 1 ATOM 837 C C . LEU A 1 103 ? 3.416 -20.527 -23.207 1.00 10.37 ? 138 LEU A C 1 ATOM 838 O O . LEU A 1 103 ? 2.221 -20.748 -23.182 1.00 10.55 ? 138 LEU A O 1 ATOM 839 C CB . LEU A 1 103 ? 3.900 -18.594 -24.647 1.00 12.27 ? 138 LEU A CB 1 ATOM 840 C CG . LEU A 1 103 ? 5.129 -17.865 -25.194 1.00 20.44 ? 138 LEU A CG 1 ATOM 841 C CD1 . LEU A 1 103 ? 5.462 -18.388 -26.595 1.00 17.36 ? 138 LEU A CD1 1 ATOM 842 C CD2 . LEU A 1 103 ? 4.825 -16.320 -25.157 1.00 23.10 ? 138 LEU A CD2 1 ATOM 843 N N . ALA A 1 104 ? 4.195 -20.717 -22.161 1.00 9.12 ? 139 ALA A N 1 ATOM 844 C CA . ALA A 1 104 ? 3.599 -21.314 -20.985 1.00 8.47 ? 139 ALA A CA 1 ATOM 845 C C . ALA A 1 104 ? 4.208 -20.730 -19.779 1.00 7.59 ? 139 ALA A C 1 ATOM 846 O O . ALA A 1 104 ? 5.374 -20.330 -19.772 1.00 6.82 ? 139 ALA A O 1 ATOM 847 C CB . ALA A 1 104 ? 3.766 -22.864 -20.950 1.00 9.40 ? 139 ALA A CB 1 ATOM 848 N N . CYS A 1 105 ? 3.405 -20.722 -18.723 1.00 8.87 ? 140 CYS A N 1 ATOM 849 C CA . CYS A 1 105 ? 3.937 -20.457 -17.396 1.00 9.19 ? 140 CYS A CA 1 ATOM 850 C C . CYS A 1 105 ? 3.150 -21.402 -16.456 1.00 9.17 ? 140 CYS A C 1 ATOM 851 O O . CYS A 1 105 ? 2.205 -22.119 -16.865 1.00 9.31 ? 140 CYS A O 1 ATOM 852 C CB . CYS A 1 105 ? 3.665 -18.982 -16.959 1.00 8.80 ? 140 CYS A CB 1 ATOM 853 S SG . CYS A 1 105 ? 1.934 -18.702 -16.820 1.00 15.85 ? 140 CYS A SG 1 ATOM 854 N N . HIS A 1 106 ? 3.475 -21.322 -15.170 1.00 9.71 ? 141 HIS A N 1 ATOM 855 C CA . HIS A 1 106 ? 2.604 -21.989 -14.215 1.00 10.52 ? 141 HIS A CA 1 ATOM 856 C C . HIS A 1 106 ? 1.989 -20.884 -13.416 1.00 10.03 ? 141 HIS A C 1 ATOM 857 O O . HIS A 1 106 ? 2.665 -19.934 -13.034 1.00 10.41 ? 141 HIS A O 1 ATOM 858 C CB . HIS A 1 106 ? 3.311 -23.014 -13.280 1.00 8.55 ? 141 HIS A CB 1 ATOM 859 C CG . HIS A 1 106 ? 4.136 -22.391 -12.170 1.00 10.01 ? 141 HIS A CG 1 ATOM 860 N ND1 . HIS A 1 106 ? 5.510 -22.172 -12.256 1.00 12.53 ? 141 HIS A ND1 1 ATOM 861 C CD2 . HIS A 1 106 ? 3.775 -21.992 -10.936 1.00 7.47 ? 141 HIS A CD2 1 ATOM 862 C CE1 . HIS A 1 106 ? 5.933 -21.644 -11.115 1.00 9.22 ? 141 HIS A CE1 1 ATOM 863 N NE2 . HIS A 1 106 ? 4.902 -21.570 -10.292 1.00 13.72 ? 141 HIS A NE2 1 ATOM 864 N N . TYR A 1 107 ? 0.711 -21.014 -13.154 1.00 10.11 ? 142 TYR A N 1 ATOM 865 C CA . TYR A 1 107 ? 0.002 -19.925 -12.521 1.00 9.34 ? 142 TYR A CA 1 ATOM 866 C C . TYR A 1 107 ? -0.268 -20.218 -11.073 1.00 10.16 ? 142 TYR A C 1 ATOM 867 O O . TYR A 1 107 ? -0.712 -19.369 -10.380 1.00 11.48 ? 142 TYR A O 1 ATOM 868 C CB . TYR A 1 107 ? -1.309 -19.550 -13.286 1.00 9.51 ? 142 TYR A CB 1 ATOM 869 C CG . TYR A 1 107 ? -2.498 -20.406 -12.982 1.00 11.16 ? 142 TYR A CG 1 ATOM 870 C CD1 . TYR A 1 107 ? -3.424 -20.061 -11.964 1.00 13.37 ? 142 TYR A CD1 1 ATOM 871 C CD2 . TYR A 1 107 ? -2.699 -21.549 -13.732 1.00 12.02 ? 142 TYR A CD2 1 ATOM 872 C CE1 . TYR A 1 107 ? -4.541 -20.848 -11.712 1.00 11.36 ? 142 TYR A CE1 1 ATOM 873 C CE2 . TYR A 1 107 ? -3.755 -22.369 -13.491 1.00 10.54 ? 142 TYR A CE2 1 ATOM 874 C CZ . TYR A 1 107 ? -4.690 -22.011 -12.503 1.00 13.79 ? 142 TYR A CZ 1 ATOM 875 O OH . TYR A 1 107 ? -5.757 -22.865 -12.361 1.00 14.57 ? 142 TYR A OH 1 ATOM 876 N N . ASP A 1 108 ? 0.017 -21.431 -10.593 1.00 9.30 ? 143 ASP A N 1 ATOM 877 C CA . ASP A 1 108 ? -0.130 -21.711 -9.205 1.00 9.52 ? 143 ASP A CA 1 ATOM 878 C C . ASP A 1 108 ? 0.981 -21.106 -8.459 1.00 9.23 ? 143 ASP A C 1 ATOM 879 O O . ASP A 1 108 ? 2.051 -20.866 -8.988 1.00 10.21 ? 143 ASP A O 1 ATOM 880 C CB . ASP A 1 108 ? -0.113 -23.226 -8.972 1.00 7.66 ? 143 ASP A CB 1 ATOM 881 C CG . ASP A 1 108 ? 1.201 -23.868 -9.407 1.00 10.90 ? 143 ASP A CG 1 ATOM 882 O OD1 . ASP A 1 108 ? 1.568 -23.740 -10.575 1.00 13.44 ? 143 ASP A OD1 1 ATOM 883 O OD2 . ASP A 1 108 ? 1.825 -24.609 -8.608 1.00 9.53 ? 143 ASP A OD2 1 ATOM 884 N N . SER A 1 109 ? 0.794 -20.931 -7.162 1.00 10.87 ? 144 SER A N 1 ATOM 885 C CA . SER A 1 109 ? 1.903 -20.461 -6.389 1.00 10.92 ? 144 SER A CA 1 ATOM 886 C C . SER A 1 109 ? 2.126 -21.567 -5.385 1.00 11.20 ? 144 SER A C 1 ATOM 887 O O . SER A 1 109 ? 1.235 -22.281 -5.063 1.00 11.39 ? 144 SER A O 1 ATOM 888 C CB . SER A 1 109 ? 1.627 -19.141 -5.662 1.00 10.88 ? 144 SER A CB 1 ATOM 889 O OG . SER A 1 109 ? 0.504 -19.254 -4.790 1.00 12.75 ? 144 SER A OG 1 ATOM 890 N N . LYS A 1 110 ? 3.343 -21.694 -4.935 1.00 10.68 ? 145 LYS A N 1 ATOM 891 C CA . LYS A 1 110 ? 3.709 -22.809 -4.110 1.00 9.63 ? 145 LYS A CA 1 ATOM 892 C C . LYS A 1 110 ? 3.047 -22.710 -2.751 1.00 11.79 ? 145 LYS A C 1 ATOM 893 O O . LYS A 1 110 ? 3.072 -21.705 -2.092 1.00 13.15 ? 145 LYS A O 1 ATOM 894 C CB . LYS A 1 110 ? 5.219 -22.805 -3.990 1.00 8.87 ? 145 LYS A CB 1 ATOM 895 C CG . LYS A 1 110 ? 5.787 -23.932 -3.068 1.00 7.69 ? 145 LYS A CG 1 ATOM 896 C CD . LYS A 1 110 ? 7.326 -24.034 -3.212 1.00 9.59 ? 145 LYS A CD 1 ATOM 897 C CE . LYS A 1 110 ? 7.936 -25.186 -2.285 1.00 10.18 ? 145 LYS A CE 1 ATOM 898 N NZ . LYS A 1 110 ? 7.253 -26.491 -2.763 1.00 13.89 ? 145 LYS A NZ 1 ATOM 899 N N . TYR A 1 111 ? 2.475 -23.821 -2.297 1.00 13.12 ? 146 TYR A N 1 ATOM 900 C CA . TYR A 1 111 ? 1.918 -23.840 -0.991 1.00 12.75 ? 146 TYR A CA 1 ATOM 901 C C . TYR A 1 111 ? 2.977 -23.786 0.074 1.00 13.54 ? 146 TYR A C 1 ATOM 902 O O . TYR A 1 111 ? 3.955 -24.559 0.056 1.00 14.51 ? 146 TYR A O 1 ATOM 903 C CB . TYR A 1 111 ? 1.120 -25.130 -0.803 1.00 13.65 ? 146 TYR A CB 1 ATOM 904 C CG . TYR A 1 111 ? 0.701 -25.260 0.638 1.00 13.86 ? 146 TYR A CG 1 ATOM 905 C CD1 . TYR A 1 111 ? -0.302 -24.411 1.190 1.00 11.25 ? 146 TYR A CD1 1 ATOM 906 C CD2 . TYR A 1 111 ? 1.307 -26.181 1.441 1.00 16.60 ? 146 TYR A CD2 1 ATOM 907 C CE1 . TYR A 1 111 ? -0.644 -24.524 2.509 1.00 16.30 ? 146 TYR A CE1 1 ATOM 908 C CE2 . TYR A 1 111 ? 0.945 -26.288 2.775 1.00 16.17 ? 146 TYR A CE2 1 ATOM 909 C CZ . TYR A 1 111 ? -0.008 -25.479 3.274 1.00 15.35 ? 146 TYR A CZ 1 ATOM 910 O OH . TYR A 1 111 ? -0.319 -25.618 4.609 1.00 18.53 ? 146 TYR A OH 1 ATOM 911 N N . PHE A 1 112 ? 2.797 -22.877 1.024 1.00 13.25 ? 147 PHE A N 1 ATOM 912 C CA . PHE A 1 112 ? 3.533 -22.962 2.223 1.00 16.10 ? 147 PHE A CA 1 ATOM 913 C C . PHE A 1 112 ? 2.519 -22.867 3.344 1.00 17.23 ? 147 PHE A C 1 ATOM 914 O O . PHE A 1 112 ? 1.596 -22.085 3.264 1.00 16.79 ? 147 PHE A O 1 ATOM 915 C CB . PHE A 1 112 ? 4.492 -21.811 2.345 1.00 16.60 ? 147 PHE A CB 1 ATOM 916 C CG . PHE A 1 112 ? 5.649 -21.927 1.395 1.00 17.29 ? 147 PHE A CG 1 ATOM 917 C CD1 . PHE A 1 112 ? 6.710 -22.756 1.699 1.00 16.81 ? 147 PHE A CD1 1 ATOM 918 C CD2 . PHE A 1 112 ? 5.607 -21.280 0.171 1.00 16.97 ? 147 PHE A CD2 1 ATOM 919 C CE1 . PHE A 1 112 ? 7.780 -22.900 0.797 1.00 21.72 ? 147 PHE A CE1 1 ATOM 920 C CE2 . PHE A 1 112 ? 6.661 -21.403 -0.720 1.00 13.17 ? 147 PHE A CE2 1 ATOM 921 C CZ . PHE A 1 112 ? 7.764 -22.175 -0.369 1.00 16.37 ? 147 PHE A CZ 1 ATOM 922 N N . PRO A 1 113 ? 2.769 -23.609 4.413 1.00 17.73 ? 148 PRO A N 1 ATOM 923 C CA . PRO A 1 113 ? 1.932 -23.481 5.607 1.00 18.49 ? 148 PRO A CA 1 ATOM 924 C C . PRO A 1 113 ? 1.792 -22.038 6.000 1.00 18.00 ? 148 PRO A C 1 ATOM 925 O O . PRO A 1 113 ? 2.785 -21.298 6.065 1.00 18.61 ? 148 PRO A O 1 ATOM 926 C CB . PRO A 1 113 ? 2.726 -24.239 6.693 1.00 18.53 ? 148 PRO A CB 1 ATOM 927 C CG . PRO A 1 113 ? 3.546 -25.250 5.930 1.00 22.07 ? 148 PRO A CG 1 ATOM 928 C CD . PRO A 1 113 ? 3.871 -24.574 4.568 1.00 19.04 ? 148 PRO A CD 1 ATOM 929 N N . ARG A 1 114 ? 0.542 -21.629 6.185 1.00 18.11 ? 149 ARG A N 1 ATOM 930 C CA . ARG A 1 114 ? 0.243 -20.296 6.607 1.00 16.86 ? 149 ARG A CA 1 ATOM 931 C C . ARG A 1 114 ? 0.625 -20.125 8.070 1.00 18.78 ? 149 ARG A C 1 ATOM 932 O O . ARG A 1 114 ? -0.206 -20.373 8.951 1.00 18.09 ? 149 ARG A O 1 ATOM 933 C CB . ARG A 1 114 ? -1.265 -20.049 6.411 1.00 17.49 ? 149 ARG A CB 1 ATOM 934 C CG . ARG A 1 114 ? -1.659 -18.615 6.594 1.00 15.11 ? 149 ARG A CG 1 ATOM 935 C CD . ARG A 1 114 ? -0.949 -17.679 5.544 1.00 15.01 ? 149 ARG A CD 1 ATOM 936 N NE . ARG A 1 114 ? -1.339 -16.294 5.759 1.00 16.33 ? 149 ARG A NE 1 ATOM 937 C CZ . ARG A 1 114 ? -2.496 -15.797 5.322 1.00 18.71 ? 149 ARG A CZ 1 ATOM 938 N NH1 . ARG A 1 114 ? -2.780 -14.532 5.571 1.00 15.95 ? 149 ARG A NH1 1 ATOM 939 N NH2 . ARG A 1 114 ? -3.375 -16.566 4.638 1.00 17.97 ? 149 ARG A NH2 1 ATOM 940 N N . TRP A 1 115 ? 1.855 -19.689 8.321 1.00 18.35 ? 150 TRP A N 1 ATOM 941 C CA . TRP A 1 115 ? 2.311 -19.543 9.690 1.00 19.10 ? 150 TRP A CA 1 ATOM 942 C C . TRP A 1 115 ? 2.284 -18.167 10.256 1.00 18.81 ? 150 TRP A C 1 ATOM 943 O O . TRP A 1 115 ? 2.445 -17.995 11.460 1.00 20.52 ? 150 TRP A O 1 ATOM 944 C CB . TRP A 1 115 ? 3.688 -20.189 9.868 1.00 19.79 ? 150 TRP A CB 1 ATOM 945 C CG . TRP A 1 115 ? 4.731 -19.559 9.046 1.00 21.20 ? 150 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 115 ? 5.068 -19.835 7.714 1.00 27.01 ? 150 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 115 ? 5.655 -18.577 9.505 1.00 24.63 ? 150 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 115 ? 6.127 -19.020 7.332 1.00 24.35 ? 150 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 115 ? 6.515 -18.259 8.419 1.00 22.21 ? 150 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 115 ? 5.834 -17.921 10.735 1.00 23.61 ? 150 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 115 ? 7.559 -17.312 8.537 1.00 22.76 ? 150 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 115 ? 6.871 -16.963 10.850 1.00 28.57 ? 150 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 115 ? 7.728 -16.684 9.753 1.00 24.96 ? 150 TRP A CH2 1 ATOM 954 N N . ASP A 1 116 ? 2.055 -17.157 9.413 1.00 18.14 ? 151 ASP A N 1 ATOM 955 C CA . ASP A 1 116 ? 1.983 -15.768 9.888 1.00 20.46 ? 151 ASP A CA 1 ATOM 956 C C . ASP A 1 116 ? 1.082 -15.070 8.859 1.00 18.34 ? 151 ASP A C 1 ATOM 957 O O . ASP A 1 116 ? 0.477 -15.751 8.038 1.00 19.31 ? 151 ASP A O 1 ATOM 958 C CB . ASP A 1 116 ? 3.372 -15.095 10.051 1.00 19.97 ? 151 ASP A CB 1 ATOM 959 C CG . ASP A 1 116 ? 4.143 -14.863 8.719 1.00 23.12 ? 151 ASP A CG 1 ATOM 960 O OD1 . ASP A 1 116 ? 3.688 -15.238 7.631 1.00 22.92 ? 151 ASP A OD1 1 ATOM 961 O OD2 . ASP A 1 116 ? 5.245 -14.256 8.772 1.00 27.23 ? 151 ASP A OD2 1 ATOM 962 N N . SER A 1 117 ? 0.966 -13.776 8.917 1.00 18.15 ? 152 SER A N 1 ATOM 963 C CA . SER A 1 117 ? 0.068 -13.071 8.018 1.00 18.70 ? 152 SER A CA 1 ATOM 964 C C . SER A 1 117 ? 0.460 -13.103 6.565 1.00 17.21 ? 152 SER A C 1 ATOM 965 O O . SER A 1 117 ? -0.356 -12.842 5.714 1.00 16.82 ? 152 SER A O 1 ATOM 966 C CB . SER A 1 117 ? 0.018 -11.603 8.405 1.00 19.65 ? 152 SER A CB 1 ATOM 967 O OG . SER A 1 117 ? 1.257 -10.948 8.195 1.00 24.11 ? 152 SER A OG 1 ATOM 968 N N . ARG A 1 118 ? 1.741 -13.324 6.289 1.00 16.90 ? 153 ARG A N 1 ATOM 969 C CA . ARG A 1 118 ? 2.231 -13.204 4.909 1.00 16.13 ? 153 ARG A CA 1 ATOM 970 C C . ARG A 1 118 ? 1.858 -14.426 4.140 1.00 16.88 ? 153 ARG A C 1 ATOM 971 O O . ARG A 1 118 ? 1.631 -15.475 4.709 1.00 15.41 ? 153 ARG A O 1 ATOM 972 C CB . ARG A 1 118 ? 3.751 -13.109 4.926 1.00 16.24 ? 153 ARG A CB 1 ATOM 973 C CG . ARG A 1 118 ? 4.181 -11.813 5.422 1.00 17.89 ? 153 ARG A CG 1 ATOM 974 C CD . ARG A 1 118 ? 5.702 -11.782 5.675 1.00 20.38 ? 153 ARG A CD 1 ATOM 975 N NE . ARG A 1 118 ? 6.142 -12.903 6.517 1.00 23.12 ? 153 ARG A NE 1 ATOM 976 C CZ . ARG A 1 118 ? 7.381 -13.394 6.545 1.00 26.91 ? 153 ARG A CZ 1 ATOM 977 N NH1 . ARG A 1 118 ? 8.350 -12.872 5.755 1.00 23.03 ? 153 ARG A NH1 1 ATOM 978 N NH2 . ARG A 1 118 ? 7.651 -14.412 7.347 1.00 25.70 ? 153 ARG A NH2 1 ATOM 979 N N . VAL A 1 119 ? 1.796 -14.282 2.812 1.00 15.62 ? 154 VAL A N 1 ATOM 980 C CA . VAL A 1 119 ? 1.615 -15.406 1.974 1.00 16.41 ? 154 VAL A CA 1 ATOM 981 C C . VAL A 1 119 ? 2.592 -15.335 0.864 1.00 15.27 ? 154 VAL A C 1 ATOM 982 O O . VAL A 1 119 ? 3.082 -14.278 0.517 1.00 15.67 ? 154 VAL A O 1 ATOM 983 C CB . VAL A 1 119 ? 0.228 -15.470 1.346 1.00 15.64 ? 154 VAL A CB 1 ATOM 984 C CG1 . VAL A 1 119 ? -0.767 -15.904 2.428 1.00 18.96 ? 154 VAL A CG1 1 ATOM 985 C CG2 . VAL A 1 119 ? -0.149 -14.132 0.731 1.00 19.28 ? 154 VAL A CG2 1 ATOM 986 N N . PHE A 1 120 ? 2.887 -16.502 0.345 1.00 16.06 ? 155 PHE A N 1 ATOM 987 C CA . PHE A 1 120 ? 3.830 -16.615 -0.741 1.00 15.21 ? 155 PHE A CA 1 ATOM 988 C C . PHE A 1 120 ? 3.046 -16.409 -2.008 1.00 15.16 ? 155 PHE A C 1 ATOM 989 O O . PHE A 1 120 ? 2.083 -17.146 -2.310 1.00 13.99 ? 155 PHE A O 1 ATOM 990 C CB . PHE A 1 120 ? 4.438 -17.996 -0.772 1.00 14.49 ? 155 PHE A CB 1 ATOM 991 C CG . PHE A 1 120 ? 5.340 -18.197 -1.940 1.00 15.00 ? 155 PHE A CG 1 ATOM 992 C CD1 . PHE A 1 120 ? 6.595 -17.576 -1.981 1.00 14.59 ? 155 PHE A CD1 1 ATOM 993 C CD2 . PHE A 1 120 ? 4.929 -18.924 -3.029 1.00 10.94 ? 155 PHE A CD2 1 ATOM 994 C CE1 . PHE A 1 120 ? 7.440 -17.759 -3.056 1.00 11.25 ? 155 PHE A CE1 1 ATOM 995 C CE2 . PHE A 1 120 ? 5.803 -19.077 -4.125 1.00 11.88 ? 155 PHE A CE2 1 ATOM 996 C CZ . PHE A 1 120 ? 6.999 -18.471 -4.150 1.00 10.19 ? 155 PHE A CZ 1 ATOM 997 N N . VAL A 1 121 ? 3.441 -15.412 -2.768 1.00 14.06 ? 156 VAL A N 1 ATOM 998 C CA . VAL A 1 121 ? 2.689 -15.174 -3.970 1.00 12.59 ? 156 VAL A CA 1 ATOM 999 C C . VAL A 1 121 ? 3.518 -15.441 -5.223 1.00 11.71 ? 156 VAL A C 1 ATOM 1000 O O . VAL A 1 121 ? 3.014 -15.208 -6.313 1.00 13.38 ? 156 VAL A O 1 ATOM 1001 C CB . VAL A 1 121 ? 2.227 -13.696 -4.031 1.00 11.46 ? 156 VAL A CB 1 ATOM 1002 C CG1 . VAL A 1 121 ? 1.245 -13.402 -2.843 1.00 11.44 ? 156 VAL A CG1 1 ATOM 1003 C CG2 . VAL A 1 121 ? 3.422 -12.740 -4.021 1.00 13.61 ? 156 VAL A CG2 1 ATOM 1004 N N . GLY A 1 122 ? 4.771 -15.858 -5.062 1.00 11.27 ? 157 GLY A N 1 ATOM 1005 C CA . GLY A 1 122 ? 5.627 -16.209 -6.225 1.00 10.35 ? 157 GLY A CA 1 ATOM 1006 C C . GLY A 1 122 ? 5.510 -15.200 -7.341 1.00 9.62 ? 157 GLY A C 1 ATOM 1007 O O . GLY A 1 122 ? 5.042 -15.533 -8.454 1.00 11.10 ? 157 GLY A O 1 ATOM 1008 N N . ALA A 1 123 ? 5.955 -13.990 -7.046 1.00 9.84 ? 158 ALA A N 1 ATOM 1009 C CA . ALA A 1 123 ? 5.900 -12.887 -8.059 1.00 10.52 ? 158 ALA A CA 1 ATOM 1010 C C . ALA A 1 123 ? 6.702 -13.307 -9.239 1.00 10.42 ? 158 ALA A C 1 ATOM 1011 O O . ALA A 1 123 ? 6.249 -13.214 -10.374 1.00 11.40 ? 158 ALA A O 1 ATOM 1012 C CB . ALA A 1 123 ? 6.443 -11.586 -7.496 1.00 10.36 ? 158 ALA A CB 1 ATOM 1013 N N . THR A 1 124 ? 7.894 -13.858 -9.027 1.00 10.12 ? 159 THR A N 1 ATOM 1014 C CA . THR A 1 124 ? 8.637 -14.300 -10.213 1.00 9.85 ? 159 THR A CA 1 ATOM 1015 C C . THR A 1 124 ? 8.273 -15.680 -10.659 1.00 9.78 ? 159 THR A C 1 ATOM 1016 O O . THR A 1 124 ? 8.638 -16.121 -11.748 1.00 8.92 ? 159 THR A O 1 ATOM 1017 C CB . THR A 1 124 ? 10.116 -14.353 -9.963 1.00 11.46 ? 159 THR A CB 1 ATOM 1018 O OG1 . THR A 1 124 ? 10.393 -15.343 -8.965 1.00 13.42 ? 159 THR A OG1 1 ATOM 1019 C CG2 . THR A 1 124 ? 10.609 -13.073 -9.555 1.00 10.41 ? 159 THR A CG2 1 ATOM 1020 N N . ASP A 1 125 ? 7.561 -16.360 -9.765 1.00 10.79 ? 160 ASP A N 1 ATOM 1021 C CA . ASP A 1 125 ? 7.390 -17.748 -9.841 1.00 11.14 ? 160 ASP A CA 1 ATOM 1022 C C . ASP A 1 125 ? 5.951 -18.112 -9.621 1.00 10.59 ? 160 ASP A C 1 ATOM 1023 O O . ASP A 1 125 ? 5.604 -18.649 -8.595 1.00 10.49 ? 160 ASP A O 1 ATOM 1024 C CB . ASP A 1 125 ? 8.285 -18.295 -8.732 1.00 11.38 ? 160 ASP A CB 1 ATOM 1025 C CG . ASP A 1 125 ? 8.271 -19.793 -8.653 1.00 11.37 ? 160 ASP A CG 1 ATOM 1026 O OD1 . ASP A 1 125 ? 7.811 -20.458 -9.558 1.00 7.89 ? 160 ASP A OD1 1 ATOM 1027 O OD2 . ASP A 1 125 ? 8.732 -20.316 -7.640 1.00 11.41 ? 160 ASP A OD2 1 ATOM 1028 N N . SER A 1 126 ? 5.079 -17.845 -10.580 1.00 10.91 ? 161 SER A N 1 ATOM 1029 C CA . SER A 1 126 ? 5.408 -17.319 -11.865 1.00 11.08 ? 161 SER A CA 1 ATOM 1030 C C . SER A 1 126 ? 4.372 -16.278 -12.262 1.00 11.73 ? 161 SER A C 1 ATOM 1031 O O . SER A 1 126 ? 3.893 -16.238 -13.384 1.00 9.75 ? 161 SER A O 1 ATOM 1032 C CB . SER A 1 126 ? 5.422 -18.435 -12.899 1.00 10.16 ? 161 SER A CB 1 ATOM 1033 O OG . SER A 1 126 ? 6.704 -19.017 -12.747 1.00 13.31 ? 161 SER A OG 1 ATOM 1034 N N . ALA A 1 127 ? 4.024 -15.436 -11.305 1.00 10.74 ? 162 ALA A N 1 ATOM 1035 C CA . ALA A 1 127 ? 3.013 -14.466 -11.647 1.00 11.28 ? 162 ALA A CA 1 ATOM 1036 C C . ALA A 1 127 ? 3.494 -13.594 -12.818 1.00 10.95 ? 162 ALA A C 1 ATOM 1037 O O . ALA A 1 127 ? 2.709 -13.277 -13.741 1.00 12.12 ? 162 ALA A O 1 ATOM 1038 C CB . ALA A 1 127 ? 2.715 -13.602 -10.434 1.00 8.88 ? 162 ALA A CB 1 ATOM 1039 N N . VAL A 1 128 ? 4.766 -13.156 -12.735 1.00 8.96 ? 163 VAL A N 1 ATOM 1040 C CA . VAL A 1 128 ? 5.335 -12.298 -13.789 1.00 9.63 ? 163 VAL A CA 1 ATOM 1041 C C . VAL A 1 128 ? 5.318 -13.057 -15.094 1.00 10.08 ? 163 VAL A C 1 ATOM 1042 O O . VAL A 1 128 ? 4.758 -12.547 -16.126 1.00 11.25 ? 163 VAL A O 1 ATOM 1043 C CB . VAL A 1 128 ? 6.689 -11.805 -13.404 1.00 9.03 ? 163 VAL A CB 1 ATOM 1044 C CG1 . VAL A 1 128 ? 7.461 -11.263 -14.716 1.00 8.65 ? 163 VAL A CG1 1 ATOM 1045 C CG2 . VAL A 1 128 ? 6.531 -10.636 -12.330 1.00 10.13 ? 163 VAL A CG2 1 ATOM 1046 N N . PRO A 1 129 ? 5.899 -14.282 -15.134 1.00 10.45 ? 164 PRO A N 1 ATOM 1047 C CA . PRO A 1 129 ? 5.739 -15.014 -16.430 1.00 10.61 ? 164 PRO A CA 1 ATOM 1048 C C . PRO A 1 129 ? 4.325 -15.091 -16.965 1.00 11.67 ? 164 PRO A C 1 ATOM 1049 O O . PRO A 1 129 ? 4.115 -14.925 -18.172 1.00 11.70 ? 164 PRO A O 1 ATOM 1050 C CB . PRO A 1 129 ? 6.234 -16.397 -16.102 1.00 9.25 ? 164 PRO A CB 1 ATOM 1051 C CG . PRO A 1 129 ? 7.351 -16.101 -15.150 1.00 9.84 ? 164 PRO A CG 1 ATOM 1052 C CD . PRO A 1 129 ? 6.878 -14.982 -14.276 1.00 7.48 ? 164 PRO A CD 1 ATOM 1053 N N . CYS A 1 130 ? 3.371 -15.377 -16.115 1.00 12.54 ? 165 CYS A N 1 ATOM 1054 C CA . CYS A 1 130 ? 1.962 -15.418 -16.586 1.00 11.09 ? 165 CYS A CA 1 ATOM 1055 C C . CYS A 1 130 ? 1.512 -14.037 -17.071 1.00 10.20 ? 165 CYS A C 1 ATOM 1056 O O . CYS A 1 130 ? 0.876 -13.914 -18.112 1.00 13.18 ? 165 CYS A O 1 ATOM 1057 C CB . CYS A 1 130 ? 1.058 -15.860 -15.451 1.00 11.12 ? 165 CYS A CB 1 ATOM 1058 S SG . CYS A 1 130 ? 1.551 -17.626 -15.064 1.00 15.06 ? 165 CYS A SG 1 ATOM 1059 N N . ALA A 1 131 ? 1.867 -13.005 -16.332 1.00 10.80 ? 166 ALA A N 1 ATOM 1060 C CA . ALA A 1 131 ? 1.431 -11.638 -16.638 1.00 10.29 ? 166 ALA A CA 1 ATOM 1061 C C . ALA A 1 131 ? 2.093 -11.235 -17.986 1.00 10.65 ? 166 ALA A C 1 ATOM 1062 O O . ALA A 1 131 ? 1.503 -10.561 -18.847 1.00 11.20 ? 166 ALA A O 1 ATOM 1063 C CB . ALA A 1 131 ? 1.896 -10.713 -15.535 1.00 10.53 ? 166 ALA A CB 1 ATOM 1064 N N . MET A 1 132 ? 3.275 -11.772 -18.196 1.00 9.29 ? 167 MET A N 1 ATOM 1065 C CA . MET A 1 132 ? 4.002 -11.536 -19.438 1.00 9.72 ? 167 MET A CA 1 ATOM 1066 C C . MET A 1 132 ? 3.336 -12.131 -20.603 1.00 10.53 ? 167 MET A C 1 ATOM 1067 O O . MET A 1 132 ? 3.259 -11.482 -21.691 1.00 9.11 ? 167 MET A O 1 ATOM 1068 C CB . MET A 1 132 ? 5.433 -12.068 -19.315 1.00 9.82 ? 167 MET A CB 1 ATOM 1069 C CG . MET A 1 132 ? 6.215 -11.271 -18.369 1.00 8.36 ? 167 MET A CG 1 ATOM 1070 S SD . MET A 1 132 ? 7.873 -11.983 -18.177 1.00 12.60 ? 167 MET A SD 1 ATOM 1071 C CE . MET A 1 132 ? 8.601 -11.636 -19.734 1.00 13.37 ? 167 MET A CE 1 ATOM 1072 N N . MET A 1 133 ? 2.829 -13.334 -20.435 1.00 10.05 ? 168 MET A N 1 ATOM 1073 C CA . MET A 1 133 ? 2.047 -13.989 -21.465 1.00 9.01 ? 168 MET A CA 1 ATOM 1074 C C . MET A 1 133 ? 0.771 -13.183 -21.732 1.00 9.00 ? 168 MET A C 1 ATOM 1075 O O . MET A 1 133 ? 0.405 -12.997 -22.861 1.00 7.84 ? 168 MET A O 1 ATOM 1076 C CB . MET A 1 133 ? 1.691 -15.378 -21.054 1.00 10.55 ? 168 MET A CB 1 ATOM 1077 C CG . MET A 1 133 ? 2.963 -16.185 -21.078 1.00 10.89 ? 168 MET A CG 1 ATOM 1078 S SD . MET A 1 133 ? 2.757 -17.734 -20.192 1.00 13.75 ? 168 MET A SD 1 ATOM 1079 C CE . MET A 1 133 ? 1.261 -18.503 -20.842 1.00 7.36 ? 168 MET A CE 1 ATOM 1080 N N . LEU A 1 134 ? 0.119 -12.736 -20.681 1.00 8.29 ? 169 LEU A N 1 ATOM 1081 C CA . LEU A 1 134 ? -1.070 -11.969 -20.890 1.00 10.69 ? 169 LEU A CA 1 ATOM 1082 C C . LEU A 1 134 ? -0.726 -10.669 -21.632 1.00 10.37 ? 169 LEU A C 1 ATOM 1083 O O . LEU A 1 134 ? -1.513 -10.243 -22.484 1.00 10.79 ? 169 LEU A O 1 ATOM 1084 C CB . LEU A 1 134 ? -1.741 -11.584 -19.582 1.00 8.07 ? 169 LEU A CB 1 ATOM 1085 C CG . LEU A 1 134 ? -2.277 -12.835 -18.883 1.00 10.16 ? 169 LEU A CG 1 ATOM 1086 C CD1 . LEU A 1 134 ? -2.692 -12.607 -17.452 1.00 12.30 ? 169 LEU A CD1 1 ATOM 1087 C CD2 . LEU A 1 134 ? -3.421 -13.500 -19.743 1.00 9.98 ? 169 LEU A CD2 1 ATOM 1088 N N . GLU A 1 135 ? 0.382 -10.061 -21.230 1.00 10.27 ? 170 GLU A N 1 ATOM 1089 C CA . GLU A 1 135 ? 0.772 -8.765 -21.791 1.00 11.66 ? 170 GLU A CA 1 ATOM 1090 C C . GLU A 1 135 ? 1.093 -9.052 -23.265 1.00 11.35 ? 170 GLU A C 1 ATOM 1091 O O . GLU A 1 135 ? 0.759 -8.273 -24.158 1.00 10.89 ? 170 GLU A O 1 ATOM 1092 C CB . GLU A 1 135 ? 1.960 -8.177 -21.024 1.00 11.14 ? 170 GLU A CB 1 ATOM 1093 C CG . GLU A 1 135 ? 2.649 -7.015 -21.745 1.00 12.90 ? 170 GLU A CG 1 ATOM 1094 C CD . GLU A 1 135 ? 1.740 -5.898 -22.206 1.00 17.32 ? 170 GLU A CD 1 ATOM 1095 O OE1 . GLU A 1 135 ? 0.590 -5.727 -21.684 1.00 14.32 ? 170 GLU A OE1 1 ATOM 1096 O OE2 . GLU A 1 135 ? 2.214 -5.127 -23.082 1.00 17.98 ? 170 GLU A OE2 1 ATOM 1097 N N . LEU A 1 136 ? 1.724 -10.191 -23.526 1.00 11.40 ? 171 LEU A N 1 ATOM 1098 C CA . LEU A 1 136 ? 2.071 -10.470 -24.885 1.00 12.94 ? 171 LEU A CA 1 ATOM 1099 C C . LEU A 1 136 ? 0.806 -10.576 -25.698 1.00 12.42 ? 171 LEU A C 1 ATOM 1100 O O . LEU A 1 136 ? 0.716 -10.116 -26.852 1.00 13.75 ? 171 LEU A O 1 ATOM 1101 C CB . LEU A 1 136 ? 2.806 -11.799 -24.957 1.00 13.11 ? 171 LEU A CB 1 ATOM 1102 C CG . LEU A 1 136 ? 3.139 -12.233 -26.384 1.00 12.16 ? 171 LEU A CG 1 ATOM 1103 C CD1 . LEU A 1 136 ? 4.547 -12.801 -26.284 1.00 10.85 ? 171 LEU A CD1 1 ATOM 1104 C CD2 . LEU A 1 136 ? 2.158 -13.317 -26.990 1.00 9.77 ? 171 LEU A CD2 1 ATOM 1105 N N . ALA A 1 137 ? -0.138 -11.348 -25.169 1.00 11.29 ? 172 ALA A N 1 ATOM 1106 C CA . ALA A 1 137 ? -1.346 -11.526 -25.918 1.00 12.13 ? 172 ALA A CA 1 ATOM 1107 C C . ALA A 1 137 ? -2.003 -10.219 -26.206 1.00 11.61 ? 172 ALA A C 1 ATOM 1108 O O . ALA A 1 137 ? -2.611 -10.075 -27.287 1.00 15.02 ? 172 ALA A O 1 ATOM 1109 C CB . ALA A 1 137 ? -2.354 -12.434 -25.154 1.00 10.78 ? 172 ALA A CB 1 ATOM 1110 N N . ARG A 1 138 ? -2.035 -9.345 -25.204 1.00 12.26 ? 173 ARG A N 1 ATOM 1111 C CA . ARG A 1 138 ? -2.611 -8.003 -25.373 1.00 12.32 ? 173 ARG A CA 1 ATOM 1112 C C . ARG A 1 138 ? -1.781 -7.134 -26.346 1.00 13.35 ? 173 ARG A C 1 ATOM 1113 O O . ARG A 1 138 ? -2.331 -6.564 -27.262 1.00 12.52 ? 173 ARG A O 1 ATOM 1114 C CB . ARG A 1 138 ? -2.617 -7.272 -24.031 1.00 13.08 ? 173 ARG A CB 1 ATOM 1115 C CG . ARG A 1 138 ? -3.309 -5.850 -24.059 1.00 12.86 ? 173 ARG A CG 1 ATOM 1116 C CD . ARG A 1 138 ? -2.753 -4.938 -22.984 1.00 20.09 ? 173 ARG A CD 1 ATOM 1117 N NE . ARG A 1 138 ? -1.362 -4.559 -23.254 1.00 14.46 ? 173 ARG A NE 1 ATOM 1118 C CZ . ARG A 1 138 ? -0.990 -3.664 -24.172 1.00 23.15 ? 173 ARG A CZ 1 ATOM 1119 N NH1 . ARG A 1 138 ? -1.928 -3.004 -24.902 1.00 17.86 ? 173 ARG A NH1 1 ATOM 1120 N NH2 . ARG A 1 138 ? 0.324 -3.410 -24.345 1.00 19.44 ? 173 ARG A NH2 1 ATOM 1121 N N . ALA A 1 139 ? -0.485 -6.936 -26.052 1.00 13.92 ? 174 ALA A N 1 ATOM 1122 C CA . ALA A 1 139 ? 0.370 -6.138 -26.941 1.00 13.62 ? 174 ALA A CA 1 ATOM 1123 C C . ALA A 1 139 ? 0.261 -6.551 -28.381 1.00 13.50 ? 174 ALA A C 1 ATOM 1124 O O . ALA A 1 139 ? 0.270 -5.654 -29.268 1.00 14.29 ? 174 ALA A O 1 ATOM 1125 C CB . ALA A 1 139 ? 1.843 -6.157 -26.519 1.00 12.70 ? 174 ALA A CB 1 ATOM 1126 N N . LEU A 1 140 ? 0.209 -7.856 -28.644 1.00 11.79 ? 175 LEU A N 1 ATOM 1127 C CA . LEU A 1 140 ? 0.229 -8.416 -29.997 1.00 11.56 ? 175 LEU A CA 1 ATOM 1128 C C . LEU A 1 140 ? -1.167 -8.691 -30.548 1.00 12.68 ? 175 LEU A C 1 ATOM 1129 O O . LEU A 1 140 ? -1.318 -9.301 -31.594 1.00 14.49 ? 175 LEU A O 1 ATOM 1130 C CB . LEU A 1 140 ? 1.058 -9.674 -30.058 1.00 10.89 ? 175 LEU A CB 1 ATOM 1131 C CG . LEU A 1 140 ? 2.504 -9.477 -29.595 1.00 12.70 ? 175 LEU A CG 1 ATOM 1132 C CD1 . LEU A 1 140 ? 3.225 -10.805 -29.723 1.00 13.88 ? 175 LEU A CD1 1 ATOM 1133 C CD2 . LEU A 1 140 ? 3.255 -8.268 -30.274 1.00 14.14 ? 175 LEU A CD2 1 ATOM 1134 N N . ASP A 1 141 ? -2.163 -8.196 -29.836 1.00 13.57 ? 176 ASP A N 1 ATOM 1135 C CA . ASP A 1 141 ? -3.508 -8.636 -30.104 1.00 15.06 ? 176 ASP A CA 1 ATOM 1136 C C . ASP A 1 141 ? -3.896 -8.461 -31.571 1.00 15.77 ? 176 ASP A C 1 ATOM 1137 O O . ASP A 1 141 ? -4.434 -9.384 -32.206 1.00 17.26 ? 176 ASP A O 1 ATOM 1138 C CB . ASP A 1 141 ? -4.462 -7.920 -29.224 1.00 12.65 ? 176 ASP A CB 1 ATOM 1139 C CG . ASP A 1 141 ? -5.863 -8.501 -29.323 1.00 16.79 ? 176 ASP A CG 1 ATOM 1140 O OD1 . ASP A 1 141 ? -6.011 -9.703 -29.470 1.00 17.00 ? 176 ASP A OD1 1 ATOM 1141 O OD2 . ASP A 1 141 ? -6.824 -7.732 -29.317 1.00 13.36 ? 176 ASP A OD2 1 ATOM 1142 N N . LYS A 1 142 ? -3.559 -7.296 -32.112 1.00 15.74 ? 177 LYS A N 1 ATOM 1143 C CA . LYS A 1 142 ? -4.040 -6.976 -33.459 1.00 17.81 ? 177 LYS A CA 1 ATOM 1144 C C . LYS A 1 142 ? -3.372 -7.910 -34.445 1.00 18.50 ? 177 LYS A C 1 ATOM 1145 O O . LYS A 1 142 ? -4.030 -8.504 -35.252 1.00 18.86 ? 177 LYS A O 1 ATOM 1146 C CB . LYS A 1 142 ? -3.784 -5.517 -33.792 1.00 18.24 ? 177 LYS A CB 1 ATOM 1147 C CG . LYS A 1 142 ? -4.148 -5.186 -35.262 1.00 21.48 ? 177 LYS A CG 1 ATOM 1148 C CD . LYS A 1 142 ? -3.610 -3.810 -35.703 1.00 29.59 ? 177 LYS A CD 1 ATOM 1149 C CE . LYS A 1 142 ? -4.562 -3.159 -36.689 1.00 35.13 ? 177 LYS A CE 1 ATOM 1150 N NZ . LYS A 1 142 ? -4.452 -1.672 -36.469 1.00 39.59 ? 177 LYS A NZ 1 ATOM 1151 N N . LYS A 1 143 ? -2.047 -8.054 -34.373 1.00 17.61 ? 178 LYS A N 1 ATOM 1152 C CA . LYS A 1 143 ? -1.396 -9.024 -35.235 1.00 17.72 ? 178 LYS A CA 1 ATOM 1153 C C . LYS A 1 143 ? -1.846 -10.440 -35.036 1.00 17.52 ? 178 LYS A C 1 ATOM 1154 O O . LYS A 1 143 ? -1.956 -11.210 -35.998 1.00 20.01 ? 178 LYS A O 1 ATOM 1155 C CB . LYS A 1 143 ? 0.134 -8.945 -35.048 1.00 16.93 ? 178 LYS A CB 1 ATOM 1156 C CG . LYS A 1 143 ? 0.676 -7.670 -35.676 1.00 19.51 ? 178 LYS A CG 1 ATOM 1157 C CD . LYS A 1 143 ? 1.931 -7.189 -35.037 1.00 29.02 ? 178 LYS A CD 1 ATOM 1158 C CE . LYS A 1 143 ? 2.507 -5.930 -35.755 1.00 32.55 ? 178 LYS A CE 1 ATOM 1159 N NZ . LYS A 1 143 ? 3.925 -5.672 -35.280 1.00 38.59 ? 178 LYS A NZ 1 ATOM 1160 N N . LEU A 1 144 ? -2.035 -10.847 -33.782 1.00 17.90 ? 179 LEU A N 1 ATOM 1161 C CA . LEU A 1 144 ? -2.435 -12.226 -33.512 1.00 17.89 ? 179 LEU A CA 1 ATOM 1162 C C . LEU A 1 144 ? -3.826 -12.373 -34.017 1.00 19.33 ? 179 LEU A C 1 ATOM 1163 O O . LEU A 1 144 ? -4.136 -13.411 -34.541 1.00 19.33 ? 179 LEU A O 1 ATOM 1164 C CB . LEU A 1 144 ? -2.457 -12.524 -32.012 1.00 16.88 ? 179 LEU A CB 1 ATOM 1165 C CG . LEU A 1 144 ? -1.068 -12.536 -31.369 1.00 16.81 ? 179 LEU A CG 1 ATOM 1166 C CD1 . LEU A 1 144 ? -1.189 -12.662 -29.811 1.00 11.07 ? 179 LEU A CD1 1 ATOM 1167 C CD2 . LEU A 1 144 ? -0.340 -13.738 -31.918 1.00 19.97 ? 179 LEU A CD2 1 ATOM 1168 N N . HIS A 1 145 ? -4.638 -11.302 -33.921 1.00 21.14 ? 180 HIS A N 1 ATOM 1169 C CA . HIS A 1 145 ? -6.031 -11.367 -34.427 1.00 22.26 ? 180 HIS A CA 1 ATOM 1170 C C . HIS A 1 145 ? -6.059 -11.748 -35.911 1.00 24.32 ? 180 HIS A C 1 ATOM 1171 O O . HIS A 1 145 ? -6.891 -12.556 -36.358 1.00 25.03 ? 180 HIS A O 1 ATOM 1172 C CB . HIS A 1 145 ? -6.792 -10.082 -34.140 1.00 21.20 ? 180 HIS A CB 1 ATOM 1173 C CG . HIS A 1 145 ? -8.268 -10.188 -34.397 1.00 25.27 ? 180 HIS A CG 1 ATOM 1174 N ND1 . HIS A 1 145 ? -8.860 -11.338 -34.879 1.00 28.15 ? 180 HIS A ND1 1 ATOM 1175 C CD2 . HIS A 1 145 ? -9.265 -9.298 -34.226 1.00 24.45 ? 180 HIS A CD2 1 ATOM 1176 C CE1 . HIS A 1 145 ? -10.162 -11.146 -34.994 1.00 26.64 ? 180 HIS A CE1 1 ATOM 1177 N NE2 . HIS A 1 145 ? -10.431 -9.923 -34.595 1.00 24.86 ? 180 HIS A NE2 1 ATOM 1178 N N . SER A 1 146 ? -5.065 -11.251 -36.639 1.00 25.55 ? 181 SER A N 1 ATOM 1179 C CA . SER A 1 146 ? -4.973 -11.419 -38.072 1.00 26.81 ? 181 SER A CA 1 ATOM 1180 C C . SER A 1 146 ? -4.658 -12.868 -38.475 1.00 28.95 ? 181 SER A C 1 ATOM 1181 O O . SER A 1 146 ? -4.862 -13.244 -39.624 1.00 29.75 ? 181 SER A O 1 ATOM 1182 C CB . SER A 1 146 ? -3.892 -10.481 -38.625 1.00 25.96 ? 181 SER A CB 1 ATOM 1183 O OG . SER A 1 146 ? -2.602 -11.046 -38.436 1.00 23.85 ? 181 SER A OG 1 ATOM 1184 N N . LEU A 1 147 ? -4.188 -13.684 -37.530 1.00 30.59 ? 182 LEU A N 1 ATOM 1185 C CA . LEU A 1 147 ? -4.066 -15.120 -37.752 1.00 32.34 ? 182 LEU A CA 1 ATOM 1186 C C . LEU A 1 147 ? -5.415 -15.824 -38.009 1.00 34.58 ? 182 LEU A C 1 ATOM 1187 O O . LEU A 1 147 ? -5.414 -16.976 -38.368 1.00 35.31 ? 182 LEU A O 1 ATOM 1188 C CB . LEU A 1 147 ? -3.426 -15.799 -36.535 1.00 31.00 ? 182 LEU A CB 1 ATOM 1189 C CG . LEU A 1 147 ? -1.956 -15.506 -36.239 1.00 27.24 ? 182 LEU A CG 1 ATOM 1190 C CD1 . LEU A 1 147 ? -1.595 -16.039 -34.845 1.00 24.24 ? 182 LEU A CD1 1 ATOM 1191 C CD2 . LEU A 1 147 ? -1.122 -16.151 -37.273 1.00 21.62 ? 182 LEU A CD2 1 ATOM 1192 N N . LYS A 1 148 ? -6.552 -15.157 -37.799 1.00 37.44 ? 183 LYS A N 1 ATOM 1193 C CA . LYS A 1 148 ? -7.838 -15.795 -38.141 1.00 40.65 ? 183 LYS A CA 1 ATOM 1194 C C . LYS A 1 148 ? -7.937 -16.034 -39.649 1.00 42.13 ? 183 LYS A C 1 ATOM 1195 O O . LYS A 1 148 ? -8.591 -16.981 -40.081 1.00 43.28 ? 183 LYS A O 1 ATOM 1196 C CB . LYS A 1 148 ? -9.068 -15.039 -37.587 1.00 40.48 ? 183 LYS A CB 1 ATOM 1197 C CG . LYS A 1 148 ? -9.354 -13.674 -38.206 1.00 42.19 ? 183 LYS A CG 1 ATOM 1198 C CD . LYS A 1 148 ? -10.687 -13.091 -37.673 1.00 45.69 ? 183 LYS A CD 1 ATOM 1199 C CE . LYS A 1 148 ? -11.078 -11.750 -38.355 1.00 45.66 ? 183 LYS A CE 1 ATOM 1200 N NZ . LYS A 1 148 ? -10.899 -11.827 -39.834 1.00 47.31 ? 183 LYS A NZ 1 ATOM 1201 N N . ASP A 1 149 ? -7.255 -15.194 -40.432 1.00 44.43 ? 184 ASP A N 1 ATOM 1202 C CA . ASP A 1 149 ? -7.274 -15.268 -41.905 1.00 45.23 ? 184 ASP A CA 1 ATOM 1203 C C . ASP A 1 149 ? -6.119 -16.156 -42.353 1.00 45.72 ? 184 ASP A C 1 ATOM 1204 O O . ASP A 1 149 ? -6.324 -17.232 -42.950 1.00 46.44 ? 184 ASP A O 1 ATOM 1205 C CB . ASP A 1 149 ? -7.143 -13.871 -42.567 1.00 46.17 ? 184 ASP A CB 1 ATOM 1206 C CG . ASP A 1 149 ? -7.984 -12.764 -41.873 1.00 46.83 ? 184 ASP A CG 1 ATOM 1207 O OD1 . ASP A 1 149 ? -9.243 -12.824 -41.939 1.00 49.50 ? 184 ASP A OD1 1 ATOM 1208 O OD2 . ASP A 1 149 ? -7.378 -11.825 -41.282 1.00 44.76 ? 184 ASP A OD2 1 ATOM 1209 N N . PRO A 1 155 ? 2.665 -21.527 -43.185 1.00 32.47 ? 190 PRO A N 1 ATOM 1210 C CA . PRO A 1 155 ? 2.523 -22.619 -42.237 1.00 31.74 ? 190 PRO A CA 1 ATOM 1211 C C . PRO A 1 155 ? 1.191 -22.503 -41.502 1.00 30.57 ? 190 PRO A C 1 ATOM 1212 O O . PRO A 1 155 ? 0.732 -21.382 -41.175 1.00 30.54 ? 190 PRO A O 1 ATOM 1213 C CB . PRO A 1 155 ? 3.693 -22.389 -41.263 1.00 31.47 ? 190 PRO A CB 1 ATOM 1214 C CG . PRO A 1 155 ? 4.225 -20.967 -41.578 1.00 32.92 ? 190 PRO A CG 1 ATOM 1215 C CD . PRO A 1 155 ? 4.012 -20.938 -43.083 1.00 33.52 ? 190 PRO A CD 1 ATOM 1216 N N . ASP A 1 156 ? 0.577 -23.669 -41.301 1.00 27.66 ? 191 ASP A N 1 ATOM 1217 C CA . ASP A 1 156 ? -0.645 -23.830 -40.584 1.00 25.30 ? 191 ASP A CA 1 ATOM 1218 C C . ASP A 1 156 ? -0.234 -23.733 -39.096 1.00 22.75 ? 191 ASP A C 1 ATOM 1219 O O . ASP A 1 156 ? -0.043 -24.740 -38.431 1.00 20.86 ? 191 ASP A O 1 ATOM 1220 C CB . ASP A 1 156 ? -1.165 -25.218 -40.888 1.00 25.73 ? 191 ASP A CB 1 ATOM 1221 C CG . ASP A 1 156 ? -2.487 -25.464 -40.261 1.00 28.30 ? 191 ASP A CG 1 ATOM 1222 O OD1 . ASP A 1 156 ? -3.129 -24.477 -39.897 1.00 36.67 ? 191 ASP A OD1 1 ATOM 1223 O OD2 . ASP A 1 156 ? -2.885 -26.626 -40.082 1.00 28.42 ? 191 ASP A OD2 1 ATOM 1224 N N . LEU A 1 157 ? -0.014 -22.513 -38.636 1.00 21.18 ? 192 LEU A N 1 ATOM 1225 C CA . LEU A 1 157 ? 0.716 -22.322 -37.382 1.00 18.58 ? 192 LEU A CA 1 ATOM 1226 C C . LEU A 1 157 ? 0.147 -21.128 -36.635 1.00 17.97 ? 192 LEU A C 1 ATOM 1227 O O . LEU A 1 157 ? -0.017 -20.010 -37.176 1.00 17.96 ? 192 LEU A O 1 ATOM 1228 C CB . LEU A 1 157 ? 2.214 -22.118 -37.710 1.00 19.17 ? 192 LEU A CB 1 ATOM 1229 C CG . LEU A 1 157 ? 3.109 -21.570 -36.567 1.00 18.67 ? 192 LEU A CG 1 ATOM 1230 C CD1 . LEU A 1 157 ? 3.281 -22.615 -35.499 1.00 19.74 ? 192 LEU A CD1 1 ATOM 1231 C CD2 . LEU A 1 157 ? 4.438 -21.076 -37.111 1.00 16.35 ? 192 LEU A CD2 1 ATOM 1232 N N . SER A 1 158 ? -0.132 -21.340 -35.350 1.00 15.30 ? 193 SER A N 1 ATOM 1233 C CA . SER A 1 158 ? -0.646 -20.253 -34.594 1.00 12.43 ? 193 SER A CA 1 ATOM 1234 C C . SER A 1 158 ? -0.050 -20.354 -33.181 1.00 11.68 ? 193 SER A C 1 ATOM 1235 O O . SER A 1 158 ? 1.008 -20.904 -33.050 1.00 13.58 ? 193 SER A O 1 ATOM 1236 C CB . SER A 1 158 ? -2.167 -20.256 -34.602 1.00 13.24 ? 193 SER A CB 1 ATOM 1237 O OG . SER A 1 158 ? -2.564 -18.994 -34.078 1.00 16.45 ? 193 SER A OG 1 ATOM 1238 N N . LEU A 1 159 ? -0.696 -19.740 -32.218 1.00 10.31 ? 194 LEU A N 1 ATOM 1239 C CA . LEU A 1 159 ? -0.152 -19.538 -30.925 1.00 11.29 ? 194 LEU A CA 1 ATOM 1240 C C . LEU A 1 159 ? -1.019 -20.145 -29.901 1.00 12.07 ? 194 LEU A C 1 ATOM 1241 O O . LEU A 1 159 ? -2.233 -19.956 -29.912 1.00 11.25 ? 194 LEU A O 1 ATOM 1242 C CB . LEU A 1 159 ? -0.018 -18.016 -30.673 1.00 10.69 ? 194 LEU A CB 1 ATOM 1243 C CG . LEU A 1 159 ? 0.653 -17.652 -29.346 1.00 11.07 ? 194 LEU A CG 1 ATOM 1244 C CD1 . LEU A 1 159 ? 2.101 -18.126 -29.244 1.00 12.38 ? 194 LEU A CD1 1 ATOM 1245 C CD2 . LEU A 1 159 ? 0.593 -16.129 -29.219 1.00 9.73 ? 194 LEU A CD2 1 ATOM 1246 N N . GLN A 1 160 ? -0.384 -20.749 -28.889 1.00 10.92 ? 195 GLN A N 1 ATOM 1247 C CA . GLN A 1 160 ? -1.177 -21.217 -27.747 1.00 11.57 ? 195 GLN A CA 1 ATOM 1248 C C . GLN A 1 160 ? -0.447 -20.750 -26.523 1.00 11.33 ? 195 GLN A C 1 ATOM 1249 O O . GLN A 1 160 ? 0.765 -20.627 -26.569 1.00 11.56 ? 195 GLN A O 1 ATOM 1250 C CB . GLN A 1 160 ? -1.203 -22.719 -27.775 1.00 8.83 ? 195 GLN A CB 1 ATOM 1251 C CG . GLN A 1 160 ? -2.042 -23.353 -26.725 1.00 13.43 ? 195 GLN A CG 1 ATOM 1252 C CD . GLN A 1 160 ? -2.067 -24.855 -26.953 1.00 18.11 ? 195 GLN A CD 1 ATOM 1253 O OE1 . GLN A 1 160 ? -3.091 -25.396 -27.327 1.00 18.46 ? 195 GLN A OE1 1 ATOM 1254 N NE2 . GLN A 1 160 ? -0.935 -25.487 -26.846 1.00 16.25 ? 195 GLN A NE2 1 ATOM 1255 N N . LEU A 1 161 ? -1.227 -20.468 -25.473 1.00 11.41 ? 196 LEU A N 1 ATOM 1256 C CA . LEU A 1 161 ? -0.690 -20.135 -24.137 1.00 9.79 ? 196 LEU A CA 1 ATOM 1257 C C . LEU A 1 161 ? -1.203 -21.197 -23.216 1.00 10.90 ? 196 LEU A C 1 ATOM 1258 O O . LEU A 1 161 ? -2.358 -21.620 -23.322 1.00 10.73 ? 196 LEU A O 1 ATOM 1259 C CB . LEU A 1 161 ? -1.246 -18.820 -23.640 1.00 10.98 ? 196 LEU A CB 1 ATOM 1260 C CG . LEU A 1 161 ? -1.044 -17.630 -24.619 1.00 11.97 ? 196 LEU A CG 1 ATOM 1261 C CD1 . LEU A 1 161 ? -1.645 -16.404 -23.972 1.00 11.52 ? 196 LEU A CD1 1 ATOM 1262 C CD2 . LEU A 1 161 ? 0.415 -17.402 -24.866 1.00 10.36 ? 196 LEU A CD2 1 ATOM 1263 N N . ILE A 1 162 ? -0.338 -21.642 -22.319 1.00 9.88 ? 197 ILE A N 1 ATOM 1264 C CA . ILE A 1 162 ? -0.762 -22.607 -21.321 1.00 9.97 ? 197 ILE A CA 1 ATOM 1265 C C . ILE A 1 162 ? -0.339 -22.009 -19.992 1.00 9.35 ? 197 ILE A C 1 ATOM 1266 O O . ILE A 1 162 ? 0.804 -21.665 -19.831 1.00 9.00 ? 197 ILE A O 1 ATOM 1267 C CB . ILE A 1 162 ? -0.047 -23.979 -21.492 1.00 10.86 ? 197 ILE A CB 1 ATOM 1268 C CG1 . ILE A 1 162 ? -0.525 -24.707 -22.785 1.00 15.28 ? 197 ILE A CG1 1 ATOM 1269 C CG2 . ILE A 1 162 ? -0.415 -24.861 -20.391 1.00 10.26 ? 197 ILE A CG2 1 ATOM 1270 C CD1 . ILE A 1 162 ? 0.279 -25.983 -23.147 1.00 15.49 ? 197 ILE A CD1 1 ATOM 1271 N N . PHE A 1 163 ? -1.264 -21.962 -19.048 1.00 9.31 ? 198 PHE A N 1 ATOM 1272 C CA . PHE A 1 163 ? -0.994 -21.567 -17.689 1.00 10.41 ? 198 PHE A CA 1 ATOM 1273 C C . PHE A 1 163 ? -1.196 -22.824 -16.886 1.00 11.21 ? 198 PHE A C 1 ATOM 1274 O O . PHE A 1 163 ? -2.337 -23.260 -16.646 1.00 12.80 ? 198 PHE A O 1 ATOM 1275 C CB . PHE A 1 163 ? -1.944 -20.460 -17.267 1.00 10.97 ? 198 PHE A CB 1 ATOM 1276 C CG . PHE A 1 163 ? -1.949 -19.297 -18.187 1.00 11.60 ? 198 PHE A CG 1 ATOM 1277 C CD1 . PHE A 1 163 ? -1.297 -18.137 -17.807 1.00 10.30 ? 198 PHE A CD1 1 ATOM 1278 C CD2 . PHE A 1 163 ? -2.609 -19.339 -19.426 1.00 10.26 ? 198 PHE A CD2 1 ATOM 1279 C CE1 . PHE A 1 163 ? -1.255 -17.028 -18.658 1.00 13.04 ? 198 PHE A CE1 1 ATOM 1280 C CE2 . PHE A 1 163 ? -2.587 -18.225 -20.260 1.00 10.59 ? 198 PHE A CE2 1 ATOM 1281 C CZ . PHE A 1 163 ? -1.931 -17.080 -19.906 1.00 8.74 ? 198 PHE A CZ 1 ATOM 1282 N N . PHE A 1 164 ? -0.065 -23.433 -16.518 1.00 9.46 ? 199 PHE A N 1 ATOM 1283 C CA . PHE A 1 164 ? -0.152 -24.746 -15.827 1.00 9.84 ? 199 PHE A CA 1 ATOM 1284 C C . PHE A 1 164 ? -0.528 -24.482 -14.434 1.00 9.63 ? 199 PHE A C 1 ATOM 1285 O O . PHE A 1 164 ? -0.052 -23.517 -13.802 1.00 8.50 ? 199 PHE A O 1 ATOM 1286 C CB . PHE A 1 164 ? 1.183 -25.458 -15.798 1.00 7.56 ? 199 PHE A CB 1 ATOM 1287 C CG . PHE A 1 164 ? 1.628 -25.931 -17.178 1.00 9.51 ? 199 PHE A CG 1 ATOM 1288 C CD1 . PHE A 1 164 ? 0.929 -26.942 -17.810 1.00 10.45 ? 199 PHE A CD1 1 ATOM 1289 C CD2 . PHE A 1 164 ? 2.728 -25.339 -17.796 1.00 11.00 ? 199 PHE A CD2 1 ATOM 1290 C CE1 . PHE A 1 164 ? 1.384 -27.412 -19.049 1.00 15.96 ? 199 PHE A CE1 1 ATOM 1291 C CE2 . PHE A 1 164 ? 3.123 -25.738 -19.083 1.00 11.63 ? 199 PHE A CE2 1 ATOM 1292 C CZ . PHE A 1 164 ? 2.440 -26.782 -19.667 1.00 14.85 ? 199 PHE A CZ 1 ATOM 1293 N N . ASP A 1 165 ? -1.353 -25.374 -13.911 1.00 9.49 ? 200 ASP A N 1 ATOM 1294 C CA . ASP A 1 165 ? -1.602 -25.303 -12.489 1.00 11.18 ? 200 ASP A CA 1 ATOM 1295 C C . ASP A 1 165 ? -0.707 -26.374 -11.870 1.00 10.31 ? 200 ASP A C 1 ATOM 1296 O O . ASP A 1 165 ? -0.258 -27.234 -12.575 1.00 10.69 ? 200 ASP A O 1 ATOM 1297 C CB . ASP A 1 165 ? -3.053 -25.726 -12.287 1.00 11.94 ? 200 ASP A CB 1 ATOM 1298 C CG . ASP A 1 165 ? -3.534 -25.453 -10.924 1.00 12.85 ? 200 ASP A CG 1 ATOM 1299 O OD1 . ASP A 1 165 ? -2.776 -24.913 -10.078 1.00 13.38 ? 200 ASP A OD1 1 ATOM 1300 O OD2 . ASP A 1 165 ? -4.735 -25.721 -10.700 1.00 12.33 ? 200 ASP A OD2 1 ATOM 1301 N N . GLY A 1 166 ? -0.487 -26.302 -10.561 1.00 10.97 ? 201 GLY A N 1 ATOM 1302 C CA . GLY A 1 166 ? 0.160 -27.416 -9.857 1.00 12.21 ? 201 GLY A CA 1 ATOM 1303 C C . GLY A 1 166 ? 1.585 -27.683 -10.334 1.00 11.61 ? 201 GLY A C 1 ATOM 1304 O O . GLY A 1 166 ? 2.057 -28.774 -10.178 1.00 12.25 ? 201 GLY A O 1 ATOM 1305 N N . GLU A 1 167 ? 2.293 -26.713 -10.850 1.00 10.30 ? 202 GLU A N 1 ATOM 1306 C CA . GLU A 1 167 ? 3.722 -26.927 -11.124 1.00 11.00 ? 202 GLU A CA 1 ATOM 1307 C C . GLU A 1 167 ? 4.480 -27.295 -9.827 1.00 10.75 ? 202 GLU A C 1 ATOM 1308 O O . GLU A 1 167 ? 5.307 -28.227 -9.781 1.00 12.84 ? 202 GLU A O 1 ATOM 1309 C CB . GLU A 1 167 ? 4.335 -25.679 -11.714 1.00 9.81 ? 202 GLU A CB 1 ATOM 1310 C CG . GLU A 1 167 ? 5.751 -25.815 -12.204 1.00 11.21 ? 202 GLU A CG 1 ATOM 1311 C CD . GLU A 1 167 ? 6.808 -25.450 -11.188 1.00 16.10 ? 202 GLU A CD 1 ATOM 1312 O OE1 . GLU A 1 167 ? 6.467 -25.155 -10.043 1.00 14.55 ? 202 GLU A OE1 1 ATOM 1313 O OE2 . GLU A 1 167 ? 8.002 -25.466 -11.558 1.00 15.97 ? 202 GLU A OE2 1 ATOM 1314 N N . GLU A 1 168 ? 4.159 -26.544 -8.765 1.00 11.60 ? 203 GLU A N 1 ATOM 1315 C CA . GLU A 1 168 ? 4.863 -26.644 -7.522 1.00 11.67 ? 203 GLU A CA 1 ATOM 1316 C C . GLU A 1 168 ? 4.513 -27.869 -6.700 1.00 12.72 ? 203 GLU A C 1 ATOM 1317 O O . GLU A 1 168 ? 3.330 -28.298 -6.641 1.00 11.08 ? 203 GLU A O 1 ATOM 1318 C CB . GLU A 1 168 ? 4.571 -25.417 -6.680 1.00 10.55 ? 203 GLU A CB 1 ATOM 1319 C CG . GLU A 1 168 ? 5.024 -24.085 -7.409 1.00 11.33 ? 203 GLU A CG 1 ATOM 1320 C CD . GLU A 1 168 ? 6.498 -23.768 -7.249 1.00 13.03 ? 203 GLU A CD 1 ATOM 1321 O OE1 . GLU A 1 168 ? 7.289 -24.670 -6.935 1.00 11.68 ? 203 GLU A OE1 1 ATOM 1322 O OE2 . GLU A 1 168 ? 6.908 -22.631 -7.551 1.00 12.15 ? 203 GLU A OE2 1 ATOM 1323 N N . ALA A 1 169 ? 5.550 -28.403 -6.065 1.00 13.83 ? 204 ALA A N 1 ATOM 1324 C CA . ALA A 1 169 ? 5.364 -29.428 -5.054 1.00 14.27 ? 204 ALA A CA 1 ATOM 1325 C C . ALA A 1 169 ? 4.507 -28.875 -3.922 1.00 15.96 ? 204 ALA A C 1 ATOM 1326 O O . ALA A 1 169 ? 4.595 -27.686 -3.576 1.00 16.56 ? 204 ALA A O 1 ATOM 1327 C CB . ALA A 1 169 ? 6.738 -29.825 -4.484 1.00 14.14 ? 204 ALA A CB 1 ATOM 1328 N N . PHE A 1 170 ? 3.695 -29.741 -3.346 1.00 15.76 ? 205 PHE A N 1 ATOM 1329 C CA . PHE A 1 170 ? 2.959 -29.450 -2.163 1.00 16.53 ? 205 PHE A CA 1 ATOM 1330 C C . PHE A 1 170 ? 3.793 -29.631 -0.934 1.00 18.48 ? 205 PHE A C 1 ATOM 1331 O O . PHE A 1 170 ? 3.563 -28.936 0.074 1.00 19.30 ? 205 PHE A O 1 ATOM 1332 C CB . PHE A 1 170 ? 1.688 -30.296 -2.037 1.00 16.83 ? 205 PHE A CB 1 ATOM 1333 C CG . PHE A 1 170 ? 0.570 -29.775 -2.843 1.00 16.06 ? 205 PHE A CG 1 ATOM 1334 C CD1 . PHE A 1 170 ? 0.541 -30.043 -4.193 1.00 17.33 ? 205 PHE A CD1 1 ATOM 1335 C CD2 . PHE A 1 170 ? -0.466 -29.044 -2.265 1.00 19.96 ? 205 PHE A CD2 1 ATOM 1336 C CE1 . PHE A 1 170 ? -0.480 -29.601 -5.001 1.00 18.34 ? 205 PHE A CE1 1 ATOM 1337 C CE2 . PHE A 1 170 ? -1.505 -28.554 -3.081 1.00 16.35 ? 205 PHE A CE2 1 ATOM 1338 C CZ . PHE A 1 170 ? -1.507 -28.900 -4.451 1.00 22.35 ? 205 PHE A CZ 1 ATOM 1339 N N . HIS A 1 171 ? 4.762 -30.523 -0.998 1.00 21.64 ? 206 HIS A N 1 ATOM 1340 C CA . HIS A 1 171 ? 5.488 -30.812 0.217 1.00 25.07 ? 206 HIS A CA 1 ATOM 1341 C C . HIS A 1 171 ? 6.973 -30.739 -0.010 1.00 26.07 ? 206 HIS A C 1 ATOM 1342 O O . HIS A 1 171 ? 7.657 -29.932 0.622 1.00 28.89 ? 206 HIS A O 1 ATOM 1343 C CB . HIS A 1 171 ? 5.129 -32.155 0.799 1.00 25.54 ? 206 HIS A CB 1 ATOM 1344 C CG . HIS A 1 171 ? 5.794 -32.393 2.113 1.00 33.99 ? 206 HIS A CG 1 ATOM 1345 N ND1 . HIS A 1 171 ? 6.800 -33.326 2.283 1.00 39.98 ? 206 HIS A ND1 1 ATOM 1346 C CD2 . HIS A 1 171 ? 5.665 -31.754 3.297 1.00 40.06 ? 206 HIS A CD2 1 ATOM 1347 C CE1 . HIS A 1 171 ? 7.237 -33.268 3.530 1.00 41.95 ? 206 HIS A CE1 1 ATOM 1348 N NE2 . HIS A 1 171 ? 6.567 -32.324 4.165 1.00 41.13 ? 206 HIS A NE2 1 ATOM 1349 N N . HIS A 1 172 ? 7.474 -31.569 -0.906 1.00 26.11 ? 207 HIS A N 1 ATOM 1350 C CA . HIS A 1 172 ? 8.894 -31.630 -1.186 1.00 27.42 ? 207 HIS A CA 1 ATOM 1351 C C . HIS A 1 172 ? 9.028 -31.993 -2.652 1.00 25.07 ? 207 HIS A C 1 ATOM 1352 O O . HIS A 1 172 ? 8.430 -32.989 -3.093 1.00 24.63 ? 207 HIS A O 1 ATOM 1353 C CB . HIS A 1 172 ? 9.571 -32.694 -0.300 1.00 28.24 ? 207 HIS A CB 1 ATOM 1354 C CG . HIS A 1 172 ? 11.051 -32.815 -0.511 1.00 32.96 ? 207 HIS A CG 1 ATOM 1355 N ND1 . HIS A 1 172 ? 11.612 -33.785 -1.328 1.00 39.18 ? 207 HIS A ND1 1 ATOM 1356 C CD2 . HIS A 1 172 ? 12.092 -32.132 0.030 1.00 39.22 ? 207 HIS A CD2 1 ATOM 1357 C CE1 . HIS A 1 172 ? 12.929 -33.662 -1.317 1.00 38.79 ? 207 HIS A CE1 1 ATOM 1358 N NE2 . HIS A 1 172 ? 13.250 -32.675 -0.494 1.00 41.58 ? 207 HIS A NE2 1 ATOM 1359 N N . TRP A 1 173 ? 9.775 -31.195 -3.402 1.00 23.65 ? 208 TRP A N 1 ATOM 1360 C CA . TRP A 1 173 ? 9.792 -31.370 -4.842 1.00 22.73 ? 208 TRP A CA 1 ATOM 1361 C C . TRP A 1 173 ? 10.230 -32.774 -5.161 1.00 22.85 ? 208 TRP A C 1 ATOM 1362 O O . TRP A 1 173 ? 11.278 -33.238 -4.658 1.00 24.47 ? 208 TRP A O 1 ATOM 1363 C CB . TRP A 1 173 ? 10.740 -30.369 -5.512 1.00 24.09 ? 208 TRP A CB 1 ATOM 1364 C CG . TRP A 1 173 ? 10.763 -30.485 -6.992 1.00 20.32 ? 208 TRP A CG 1 ATOM 1365 C CD1 . TRP A 1 173 ? 11.486 -31.379 -7.755 1.00 24.83 ? 208 TRP A CD1 1 ATOM 1366 C CD2 . TRP A 1 173 ? 9.996 -29.701 -7.919 1.00 21.87 ? 208 TRP A CD2 1 ATOM 1367 N NE1 . TRP A 1 173 ? 11.208 -31.193 -9.090 1.00 23.83 ? 208 TRP A NE1 1 ATOM 1368 C CE2 . TRP A 1 173 ? 10.308 -30.153 -9.217 1.00 22.41 ? 208 TRP A CE2 1 ATOM 1369 C CE3 . TRP A 1 173 ? 9.113 -28.629 -7.772 1.00 22.09 ? 208 TRP A CE3 1 ATOM 1370 C CZ2 . TRP A 1 173 ? 9.733 -29.595 -10.360 1.00 21.09 ? 208 TRP A CZ2 1 ATOM 1371 C CZ3 . TRP A 1 173 ? 8.525 -28.075 -8.917 1.00 16.80 ? 208 TRP A CZ3 1 ATOM 1372 C CH2 . TRP A 1 173 ? 8.849 -28.533 -10.181 1.00 19.82 ? 208 TRP A CH2 1 ATOM 1373 N N . SER A 1 174 ? 9.466 -33.455 -5.987 1.00 22.67 ? 209 SER A N 1 ATOM 1374 C CA . SER A 1 174 ? 9.801 -34.805 -6.410 1.00 22.29 ? 209 SER A CA 1 ATOM 1375 C C . SER A 1 174 ? 9.009 -35.123 -7.659 1.00 22.17 ? 209 SER A C 1 ATOM 1376 O O . SER A 1 174 ? 8.074 -34.381 -7.981 1.00 20.88 ? 209 SER A O 1 ATOM 1377 C CB . SER A 1 174 ? 9.462 -35.775 -5.286 1.00 22.60 ? 209 SER A CB 1 ATOM 1378 O OG . SER A 1 174 ? 8.082 -36.056 -5.298 1.00 23.19 ? 209 SER A OG 1 ATOM 1379 N N . PRO A 1 175 ? 9.355 -36.218 -8.401 1.00 22.27 ? 210 PRO A N 1 ATOM 1380 C CA . PRO A 1 175 ? 8.506 -36.382 -9.585 1.00 21.94 ? 210 PRO A CA 1 ATOM 1381 C C . PRO A 1 175 ? 7.075 -36.708 -9.236 1.00 21.06 ? 210 PRO A C 1 ATOM 1382 O O . PRO A 1 175 ? 6.215 -36.423 -10.016 1.00 21.78 ? 210 PRO A O 1 ATOM 1383 C CB . PRO A 1 175 ? 9.147 -37.535 -10.385 1.00 24.17 ? 210 PRO A CB 1 ATOM 1384 C CG . PRO A 1 175 ? 10.420 -37.912 -9.701 1.00 21.71 ? 210 PRO A CG 1 ATOM 1385 C CD . PRO A 1 175 ? 10.420 -37.248 -8.298 1.00 23.60 ? 210 PRO A CD 1 ATOM 1386 N N . GLN A 1 176 ? 6.806 -37.293 -8.075 1.00 20.39 ? 211 GLN A N 1 ATOM 1387 C CA . GLN A 1 176 ? 5.411 -37.521 -7.641 1.00 21.44 ? 211 GLN A CA 1 ATOM 1388 C C . GLN A 1 176 ? 4.784 -36.234 -7.143 1.00 19.16 ? 211 GLN A C 1 ATOM 1389 O O . GLN A 1 176 ? 3.574 -36.067 -7.160 1.00 22.86 ? 211 GLN A O 1 ATOM 1390 C CB . GLN A 1 176 ? 5.345 -38.557 -6.475 1.00 22.72 ? 211 GLN A CB 1 ATOM 1391 C CG . GLN A 1 176 ? 5.603 -40.019 -6.889 1.00 29.02 ? 211 GLN A CG 1 ATOM 1392 C CD . GLN A 1 176 ? 5.342 -41.060 -5.768 1.00 36.05 ? 211 GLN A CD 1 ATOM 1393 O OE1 . GLN A 1 176 ? 4.783 -40.763 -4.697 1.00 39.20 ? 211 GLN A OE1 1 ATOM 1394 N NE2 . GLN A 1 176 ? 5.745 -42.316 -6.044 1.00 41.74 ? 211 GLN A NE2 1 ATOM 1395 N N . ASP A 1 177 ? 5.606 -35.336 -6.646 1.00 18.47 ? 212 ASP A N 1 ATOM 1396 C CA . ASP A 1 177 ? 5.066 -34.142 -6.050 1.00 16.34 ? 212 ASP A CA 1 ATOM 1397 C C . ASP A 1 177 ? 5.621 -32.915 -6.805 1.00 16.33 ? 212 ASP A C 1 ATOM 1398 O O . ASP A 1 177 ? 6.451 -32.206 -6.320 1.00 16.76 ? 212 ASP A O 1 ATOM 1399 C CB . ASP A 1 177 ? 5.386 -34.104 -4.549 1.00 16.76 ? 212 ASP A CB 1 ATOM 1400 C CG . ASP A 1 177 ? 4.705 -32.882 -3.829 1.00 14.28 ? 212 ASP A CG 1 ATOM 1401 O OD1 . ASP A 1 177 ? 3.741 -32.346 -4.379 1.00 16.94 ? 212 ASP A OD1 1 ATOM 1402 O OD2 . ASP A 1 177 ? 5.084 -32.578 -2.704 1.00 15.80 ? 212 ASP A OD2 1 ATOM 1403 N N . SER A 1 178 ? 5.155 -32.714 -8.024 1.00 15.94 ? 213 SER A N 1 ATOM 1404 C CA . SER A 1 178 ? 5.502 -31.545 -8.828 1.00 13.59 ? 213 SER A CA 1 ATOM 1405 C C . SER A 1 178 ? 4.828 -31.760 -10.130 1.00 12.19 ? 213 SER A C 1 ATOM 1406 O O . SER A 1 178 ? 4.382 -32.865 -10.419 1.00 16.60 ? 213 SER A O 1 ATOM 1407 C CB . SER A 1 178 ? 7.007 -31.419 -9.082 1.00 12.37 ? 213 SER A CB 1 ATOM 1408 O OG . SER A 1 178 ? 7.418 -32.571 -9.733 1.00 14.21 ? 213 SER A OG 1 ATOM 1409 N N . LEU A 1 179 ? 4.612 -30.687 -10.878 1.00 11.93 ? 214 LEU A N 1 ATOM 1410 C CA . LEU A 1 179 ? 4.269 -30.795 -12.265 1.00 10.56 ? 214 LEU A CA 1 ATOM 1411 C C . LEU A 1 179 ? 2.957 -31.455 -12.462 1.00 11.17 ? 214 LEU A C 1 ATOM 1412 O O . LEU A 1 179 ? 2.791 -32.191 -13.398 1.00 13.29 ? 214 LEU A O 1 ATOM 1413 C CB . LEU A 1 179 ? 5.321 -31.571 -13.064 1.00 11.09 ? 214 LEU A CB 1 ATOM 1414 C CG . LEU A 1 179 ? 6.747 -31.014 -12.881 1.00 10.21 ? 214 LEU A CG 1 ATOM 1415 C CD1 . LEU A 1 179 ? 7.747 -31.746 -13.819 1.00 11.49 ? 214 LEU A CD1 1 ATOM 1416 C CD2 . LEU A 1 179 ? 6.836 -29.466 -13.089 1.00 10.62 ? 214 LEU A CD2 1 ATOM 1417 N N . TYR A 1 180 ? 2.053 -31.268 -11.518 1.00 11.94 ? 215 TYR A N 1 ATOM 1418 C CA . TYR A 1 180 ? 0.802 -31.968 -11.624 1.00 12.62 ? 215 TYR A CA 1 ATOM 1419 C C . TYR A 1 180 ? 0.070 -31.553 -12.845 1.00 11.66 ? 215 TYR A C 1 ATOM 1420 O O . TYR A 1 180 ? -0.526 -32.388 -13.476 1.00 13.21 ? 215 TYR A O 1 ATOM 1421 C CB . TYR A 1 180 ? -0.093 -31.559 -10.492 1.00 11.31 ? 215 TYR A CB 1 ATOM 1422 C CG . TYR A 1 180 ? 0.396 -32.086 -9.178 1.00 13.31 ? 215 TYR A CG 1 ATOM 1423 C CD1 . TYR A 1 180 ? 0.123 -33.376 -8.777 1.00 16.45 ? 215 TYR A CD1 1 ATOM 1424 C CD2 . TYR A 1 180 ? 1.168 -31.252 -8.343 1.00 13.16 ? 215 TYR A CD2 1 ATOM 1425 C CE1 . TYR A 1 180 ? 0.599 -33.829 -7.557 1.00 13.18 ? 215 TYR A CE1 1 ATOM 1426 C CE2 . TYR A 1 180 ? 1.708 -31.695 -7.160 1.00 13.47 ? 215 TYR A CE2 1 ATOM 1427 C CZ . TYR A 1 180 ? 1.387 -33.000 -6.765 1.00 15.53 ? 215 TYR A CZ 1 ATOM 1428 O OH . TYR A 1 180 ? 1.827 -33.427 -5.556 1.00 14.90 ? 215 TYR A OH 1 ATOM 1429 N N . GLY A 1 181 ? -0.003 -30.237 -13.088 1.00 12.34 ? 216 GLY A N 1 ATOM 1430 C CA . GLY A 1 181 ? -0.747 -29.759 -14.241 1.00 12.06 ? 216 GLY A CA 1 ATOM 1431 C C . GLY A 1 181 ? -0.099 -30.097 -15.537 1.00 12.78 ? 216 GLY A C 1 ATOM 1432 O O . GLY A 1 181 ? -0.773 -30.541 -16.464 1.00 11.90 ? 216 GLY A O 1 ATOM 1433 N N . SER A 1 182 ? 1.234 -29.954 -15.631 1.00 12.57 ? 217 SER A N 1 ATOM 1434 C CA . SER A 1 182 ? 1.895 -30.250 -16.897 1.00 12.49 ? 217 SER A CA 1 ATOM 1435 C C . SER A 1 182 ? 1.972 -31.745 -17.136 1.00 11.40 ? 217 SER A C 1 ATOM 1436 O O . SER A 1 182 ? 1.873 -32.165 -18.277 1.00 12.07 ? 217 SER A O 1 ATOM 1437 C CB . SER A 1 182 ? 3.299 -29.664 -16.958 1.00 11.69 ? 217 SER A CB 1 ATOM 1438 O OG . SER A 1 182 ? 3.966 -29.989 -15.764 1.00 13.25 ? 217 SER A OG 1 ATOM 1439 N N . ARG A 1 183 ? 2.108 -32.548 -16.073 1.00 11.72 ? 218 ARG A N 1 ATOM 1440 C CA . ARG A 1 183 ? 2.091 -33.985 -16.328 1.00 12.69 ? 218 ARG A CA 1 ATOM 1441 C C . ARG A 1 183 ? 0.763 -34.356 -16.874 1.00 12.31 ? 218 ARG A C 1 ATOM 1442 O O . ARG A 1 183 ? 0.676 -35.176 -17.832 1.00 15.04 ? 218 ARG A O 1 ATOM 1443 C CB . ARG A 1 183 ? 2.332 -34.803 -15.079 1.00 11.73 ? 218 ARG A CB 1 ATOM 1444 C CG . ARG A 1 183 ? 3.856 -34.862 -14.794 1.00 14.75 ? 218 ARG A CG 1 ATOM 1445 C CD . ARG A 1 183 ? 4.171 -35.715 -13.564 1.00 14.52 ? 218 ARG A CD 1 ATOM 1446 N NE . ARG A 1 183 ? 3.731 -35.115 -12.311 1.00 14.84 ? 218 ARG A NE 1 ATOM 1447 C CZ . ARG A 1 183 ? 2.740 -35.545 -11.567 1.00 16.67 ? 218 ARG A CZ 1 ATOM 1448 N NH1 . ARG A 1 183 ? 1.997 -36.582 -11.970 1.00 21.10 ? 218 ARG A NH1 1 ATOM 1449 N NH2 . ARG A 1 183 ? 2.484 -34.947 -10.417 1.00 13.27 ? 218 ARG A NH2 1 ATOM 1450 N N . HIS A 1 184 ? -0.256 -33.773 -16.292 1.00 10.05 ? 219 HIS A N 1 ATOM 1451 C CA . HIS A 1 184 ? -1.586 -34.159 -16.685 1.00 12.65 ? 219 HIS A CA 1 ATOM 1452 C C . HIS A 1 184 ? -1.848 -33.716 -18.107 1.00 12.94 ? 219 HIS A C 1 ATOM 1453 O O . HIS A 1 184 ? -2.366 -34.494 -18.992 1.00 13.84 ? 219 HIS A O 1 ATOM 1454 C CB . HIS A 1 184 ? -2.622 -33.547 -15.753 1.00 10.79 ? 219 HIS A CB 1 ATOM 1455 C CG . HIS A 1 184 ? -4.009 -33.948 -16.141 1.00 13.32 ? 219 HIS A CG 1 ATOM 1456 N ND1 . HIS A 1 184 ? -4.767 -33.237 -17.043 1.00 18.23 ? 219 HIS A ND1 1 ATOM 1457 C CD2 . HIS A 1 184 ? -4.721 -35.055 -15.829 1.00 15.23 ? 219 HIS A CD2 1 ATOM 1458 C CE1 . HIS A 1 184 ? -5.906 -33.879 -17.238 1.00 20.99 ? 219 HIS A CE1 1 ATOM 1459 N NE2 . HIS A 1 184 ? -5.899 -34.982 -16.510 1.00 18.98 ? 219 HIS A NE2 1 ATOM 1460 N N . LEU A 1 185 ? -1.475 -32.465 -18.398 1.00 13.18 ? 220 LEU A N 1 ATOM 1461 C CA . LEU A 1 185 ? -1.784 -31.954 -19.719 1.00 13.25 ? 220 LEU A CA 1 ATOM 1462 C C . LEU A 1 185 ? -0.981 -32.606 -20.813 1.00 13.17 ? 220 LEU A C 1 ATOM 1463 O O . LEU A 1 185 ? -1.486 -32.752 -21.921 1.00 15.02 ? 220 LEU A O 1 ATOM 1464 C CB . LEU A 1 185 ? -1.583 -30.432 -19.795 1.00 12.12 ? 220 LEU A CB 1 ATOM 1465 C CG . LEU A 1 185 ? -2.122 -29.677 -21.033 1.00 12.77 ? 220 LEU A CG 1 ATOM 1466 C CD1 . LEU A 1 185 ? -3.556 -29.957 -21.395 1.00 13.87 ? 220 LEU A CD1 1 ATOM 1467 C CD2 . LEU A 1 185 ? -1.836 -28.147 -20.815 1.00 10.48 ? 220 LEU A CD2 1 ATOM 1468 N N . ALA A 1 186 ? 0.284 -32.896 -20.566 1.00 13.50 ? 221 ALA A N 1 ATOM 1469 C CA . ALA A 1 186 ? 1.118 -33.539 -21.589 1.00 15.06 ? 221 ALA A CA 1 ATOM 1470 C C . ALA A 1 186 ? 0.484 -34.880 -21.934 1.00 15.93 ? 221 ALA A C 1 ATOM 1471 O O . ALA A 1 186 ? 0.501 -35.355 -23.098 1.00 16.86 ? 221 ALA A O 1 ATOM 1472 C CB . ALA A 1 186 ? 2.547 -33.762 -21.071 1.00 12.43 ? 221 ALA A CB 1 ATOM 1473 N N . GLN A 1 187 ? -0.079 -35.497 -20.917 1.00 18.26 ? 222 GLN A N 1 ATOM 1474 C CA . GLN A 1 187 ? -0.642 -36.855 -21.087 1.00 20.27 ? 222 GLN A CA 1 ATOM 1475 C C . GLN A 1 187 ? -1.935 -36.710 -21.942 1.00 20.35 ? 222 GLN A C 1 ATOM 1476 O O . GLN A 1 187 ? -2.234 -37.505 -22.865 1.00 20.80 ? 222 GLN A O 1 ATOM 1477 C CB . GLN A 1 187 ? -0.911 -37.449 -19.701 1.00 20.59 ? 222 GLN A CB 1 ATOM 1478 C CG . GLN A 1 187 ? -1.891 -38.612 -19.677 1.00 27.85 ? 222 GLN A CG 1 ATOM 1479 C CD . GLN A 1 187 ? -1.170 -39.880 -19.738 1.00 38.03 ? 222 GLN A CD 1 ATOM 1480 O OE1 . GLN A 1 187 ? -0.562 -40.233 -20.788 1.00 42.36 ? 222 GLN A OE1 1 ATOM 1481 N NE2 . GLN A 1 187 ? -1.151 -40.583 -18.600 1.00 37.83 ? 222 GLN A NE2 1 ATOM 1482 N N . LYS A 1 188 ? -2.710 -35.706 -21.595 1.00 19.59 ? 223 LYS A N 1 ATOM 1483 C CA . LYS A 1 188 ? -3.931 -35.373 -22.255 1.00 19.40 ? 223 LYS A CA 1 ATOM 1484 C C . LYS A 1 188 ? -3.689 -35.041 -23.725 1.00 21.02 ? 223 LYS A C 1 ATOM 1485 O O . LYS A 1 188 ? -4.428 -35.537 -24.584 1.00 21.12 ? 223 LYS A O 1 ATOM 1486 C CB . LYS A 1 188 ? -4.686 -34.266 -21.483 1.00 20.34 ? 223 LYS A CB 1 ATOM 1487 C CG . LYS A 1 188 ? -6.080 -33.944 -22.076 1.00 20.19 ? 223 LYS A CG 1 ATOM 1488 C CD . LYS A 1 188 ? -6.655 -32.700 -21.398 1.00 18.90 ? 223 LYS A CD 1 ATOM 1489 C CE . LYS A 1 188 ? -8.140 -32.549 -21.720 1.00 27.98 ? 223 LYS A CE 1 ATOM 1490 N NZ . LYS A 1 188 ? -8.813 -32.012 -20.504 1.00 31.22 ? 223 LYS A NZ 1 ATOM 1491 N N . MET A 1 189 ? -2.671 -34.234 -24.026 1.00 19.46 ? 224 MET A N 1 ATOM 1492 C CA . MET A 1 189 ? -2.378 -33.843 -25.396 1.00 20.51 ? 224 MET A CA 1 ATOM 1493 C C . MET A 1 189 ? -1.851 -35.056 -26.147 1.00 22.23 ? 224 MET A C 1 ATOM 1494 O O . MET A 1 189 ? -2.035 -35.154 -27.362 1.00 22.23 ? 224 MET A O 1 ATOM 1495 C CB . MET A 1 189 ? -1.387 -32.660 -25.470 1.00 18.39 ? 224 MET A CB 1 ATOM 1496 C CG . MET A 1 189 ? -2.045 -31.382 -24.949 1.00 18.90 ? 224 MET A CG 1 ATOM 1497 S SD . MET A 1 189 ? -0.828 -30.062 -24.955 1.00 18.00 ? 224 MET A SD 1 ATOM 1498 C CE . MET A 1 189 ? -1.857 -28.548 -24.743 1.00 24.70 ? 224 MET A CE 1 ATOM 1499 N N . ALA A 1 190 ? -1.223 -35.986 -25.424 1.00 22.73 ? 225 ALA A N 1 ATOM 1500 C CA . ALA A 1 190 ? -0.768 -37.195 -26.086 1.00 27.22 ? 225 ALA A CA 1 ATOM 1501 C C . ALA A 1 190 ? -1.957 -38.065 -26.473 1.00 27.65 ? 225 ALA A C 1 ATOM 1502 O O . ALA A 1 190 ? -1.859 -38.792 -27.413 1.00 29.63 ? 225 ALA A O 1 ATOM 1503 C CB . ALA A 1 190 ? 0.241 -37.967 -25.216 1.00 25.24 ? 225 ALA A CB 1 ATOM 1504 N N . SER A 1 191 ? -3.065 -38.008 -25.734 1.00 29.18 ? 226 SER A N 1 ATOM 1505 C CA . SER A 1 191 ? -4.269 -38.780 -26.053 1.00 31.86 ? 226 SER A CA 1 ATOM 1506 C C . SER A 1 191 ? -5.280 -37.896 -26.772 1.00 32.78 ? 226 SER A C 1 ATOM 1507 O O . SER A 1 191 ? -6.511 -38.093 -26.657 1.00 34.66 ? 226 SER A O 1 ATOM 1508 C CB . SER A 1 191 ? -4.943 -39.336 -24.776 1.00 31.55 ? 226 SER A CB 1 ATOM 1509 O OG . SER A 1 191 ? -4.024 -40.157 -24.070 1.00 35.52 ? 226 SER A OG 1 ATOM 1510 N N . SER A 1 192 ? -4.791 -36.880 -27.466 1.00 32.00 ? 227 SER A N 1 ATOM 1511 C CA . SER A 1 192 ? -5.703 -36.001 -28.138 1.00 31.63 ? 227 SER A CA 1 ATOM 1512 C C . SER A 1 192 ? -5.277 -35.929 -29.583 1.00 31.28 ? 227 SER A C 1 ATOM 1513 O O . SER A 1 192 ? -4.377 -35.180 -29.920 1.00 30.19 ? 227 SER A O 1 ATOM 1514 C CB . SER A 1 192 ? -5.683 -34.649 -27.483 1.00 31.34 ? 227 SER A CB 1 ATOM 1515 O OG . SER A 1 192 ? -6.361 -34.762 -26.264 1.00 31.94 ? 227 SER A OG 1 ATOM 1516 N N . PRO A 1 193 ? -5.900 -36.754 -30.453 1.00 31.11 ? 228 PRO A N 1 ATOM 1517 C CA . PRO A 1 193 ? -5.367 -36.685 -31.799 1.00 29.76 ? 228 PRO A CA 1 ATOM 1518 C C . PRO A 1 193 ? -5.531 -35.259 -32.340 1.00 27.13 ? 228 PRO A C 1 ATOM 1519 O O . PRO A 1 193 ? -6.490 -34.522 -32.003 1.00 25.82 ? 228 PRO A O 1 ATOM 1520 C CB . PRO A 1 193 ? -6.224 -37.690 -32.573 1.00 30.38 ? 228 PRO A CB 1 ATOM 1521 C CG . PRO A 1 193 ? -7.065 -38.411 -31.525 1.00 31.66 ? 228 PRO A CG 1 ATOM 1522 C CD . PRO A 1 193 ? -7.196 -37.458 -30.404 1.00 32.99 ? 228 PRO A CD 1 ATOM 1523 N N . HIS A 1 194 ? -4.556 -34.890 -33.144 1.00 26.83 ? 229 HIS A N 1 ATOM 1524 C CA . HIS A 1 194 ? -4.529 -33.598 -33.760 1.00 27.20 ? 229 HIS A CA 1 ATOM 1525 C C . HIS A 1 194 ? -3.843 -33.608 -35.112 1.00 27.11 ? 229 HIS A C 1 ATOM 1526 O O . HIS A 1 194 ? -2.765 -34.085 -35.222 1.00 27.64 ? 229 HIS A O 1 ATOM 1527 C CB . HIS A 1 194 ? -3.806 -32.624 -32.842 1.00 26.28 ? 229 HIS A CB 1 ATOM 1528 C CG . HIS A 1 194 ? -3.948 -31.210 -33.288 1.00 25.35 ? 229 HIS A CG 1 ATOM 1529 N ND1 . HIS A 1 194 ? -5.111 -30.503 -33.113 1.00 21.03 ? 229 HIS A ND1 1 ATOM 1530 C CD2 . HIS A 1 194 ? -3.090 -30.391 -33.938 1.00 22.50 ? 229 HIS A CD2 1 ATOM 1531 C CE1 . HIS A 1 194 ? -4.960 -29.290 -33.614 1.00 20.48 ? 229 HIS A CE1 1 ATOM 1532 N NE2 . HIS A 1 194 ? -3.753 -29.204 -34.142 1.00 24.54 ? 229 HIS A NE2 1 ATOM 1533 N N . PRO A 1 195 ? -4.483 -33.074 -36.161 1.00 28.65 ? 230 PRO A N 1 ATOM 1534 C CA . PRO A 1 195 ? -5.819 -32.485 -36.189 1.00 30.03 ? 230 PRO A CA 1 ATOM 1535 C C . PRO A 1 195 ? -6.860 -33.521 -35.870 1.00 32.23 ? 230 PRO A C 1 ATOM 1536 O O . PRO A 1 195 ? -6.573 -34.723 -35.977 1.00 32.43 ? 230 PRO A O 1 ATOM 1537 C CB . PRO A 1 195 ? -5.996 -32.032 -37.654 1.00 29.83 ? 230 PRO A CB 1 ATOM 1538 C CG . PRO A 1 195 ? -4.684 -32.093 -38.304 1.00 28.91 ? 230 PRO A CG 1 ATOM 1539 C CD . PRO A 1 195 ? -3.763 -32.926 -37.445 1.00 27.60 ? 230 PRO A CD 1 ATOM 1540 N N . PRO A 1 196 ? -8.057 -33.089 -35.459 1.00 34.48 ? 231 PRO A N 1 ATOM 1541 C CA . PRO A 1 196 ? -9.089 -34.098 -35.174 1.00 36.09 ? 231 PRO A CA 1 ATOM 1542 C C . PRO A 1 196 ? -9.301 -35.092 -36.340 1.00 36.97 ? 231 PRO A C 1 ATOM 1543 O O . PRO A 1 196 ? -9.478 -34.647 -37.478 1.00 37.58 ? 231 PRO A O 1 ATOM 1544 C CB . PRO A 1 196 ? -10.334 -33.251 -34.972 1.00 36.59 ? 231 PRO A CB 1 ATOM 1545 C CG . PRO A 1 196 ? -9.795 -31.898 -34.527 1.00 35.56 ? 231 PRO A CG 1 ATOM 1546 C CD . PRO A 1 196 ? -8.584 -31.707 -35.347 1.00 35.21 ? 231 PRO A CD 1 ATOM 1547 N N . GLY A 1 197 ? -9.228 -36.408 -36.061 1.00 38.39 ? 232 GLY A N 1 ATOM 1548 C CA . GLY A 1 197 ? -9.488 -37.490 -37.068 1.00 38.94 ? 232 GLY A CA 1 ATOM 1549 C C . GLY A 1 197 ? -8.232 -37.790 -37.875 1.00 39.03 ? 232 GLY A C 1 ATOM 1550 O O . GLY A 1 197 ? -8.228 -38.443 -38.949 1.00 38.66 ? 232 GLY A O 1 ATOM 1551 N N . SER A 1 198 ? -7.146 -37.230 -37.362 1.00 37.53 ? 233 SER A N 1 ATOM 1552 C CA . SER A 1 198 ? -5.826 -37.610 -37.745 1.00 36.66 ? 233 SER A CA 1 ATOM 1553 C C . SER A 1 198 ? -5.683 -38.999 -37.116 1.00 35.35 ? 233 SER A C 1 ATOM 1554 O O . SER A 1 198 ? -6.345 -39.263 -36.110 1.00 34.95 ? 233 SER A O 1 ATOM 1555 C CB . SER A 1 198 ? -4.892 -36.623 -37.042 1.00 36.40 ? 233 SER A CB 1 ATOM 1556 O OG . SER A 1 198 ? -3.552 -36.872 -37.384 1.00 40.96 ? 233 SER A OG 1 ATOM 1557 N N . ARG A 1 199 ? -4.852 -39.888 -37.652 1.00 33.40 ? 234 ARG A N 1 ATOM 1558 C CA . ARG A 1 199 ? -4.769 -41.219 -36.984 1.00 31.53 ? 234 ARG A CA 1 ATOM 1559 C C . ARG A 1 199 ? -3.699 -41.314 -35.929 1.00 29.30 ? 234 ARG A C 1 ATOM 1560 O O . ARG A 1 199 ? -3.914 -41.835 -34.803 1.00 28.72 ? 234 ARG A O 1 ATOM 1561 C CB . ARG A 1 199 ? -4.551 -42.345 -38.006 1.00 32.43 ? 234 ARG A CB 1 ATOM 1562 C CG . ARG A 1 199 ? -5.793 -43.197 -38.172 1.00 34.64 ? 234 ARG A CG 1 ATOM 1563 C CD . ARG A 1 199 ? -6.830 -42.527 -38.969 1.00 35.81 ? 234 ARG A CD 1 ATOM 1564 N NE . ARG A 1 199 ? -7.522 -43.575 -39.671 1.00 35.26 ? 234 ARG A NE 1 ATOM 1565 C CZ . ARG A 1 199 ? -8.622 -44.148 -39.224 1.00 32.55 ? 234 ARG A CZ 1 ATOM 1566 N NH1 . ARG A 1 199 ? -9.192 -43.733 -38.084 1.00 31.81 ? 234 ARG A NH1 1 ATOM 1567 N NH2 . ARG A 1 199 ? -9.143 -45.120 -39.926 1.00 28.58 ? 234 ARG A NH2 1 ATOM 1568 N N . GLY A 1 200 ? -2.537 -40.840 -36.339 1.00 27.60 ? 235 GLY A N 1 ATOM 1569 C CA . GLY A 1 200 ? -1.329 -41.073 -35.622 1.00 26.53 ? 235 GLY A CA 1 ATOM 1570 C C . GLY A 1 200 ? -0.722 -39.837 -35.017 1.00 25.23 ? 235 GLY A C 1 ATOM 1571 O O . GLY A 1 200 ? 0.380 -39.900 -34.507 1.00 25.69 ? 235 GLY A O 1 ATOM 1572 N N . THR A 1 201 ? -1.394 -38.700 -35.124 1.00 25.73 ? 236 THR A N 1 ATOM 1573 C CA . THR A 1 201 ? -0.757 -37.439 -34.638 1.00 24.13 ? 236 THR A CA 1 ATOM 1574 C C . THR A 1 201 ? -1.627 -36.897 -33.516 1.00 23.70 ? 236 THR A C 1 ATOM 1575 O O . THR A 1 201 ? -2.855 -37.074 -33.511 1.00 24.15 ? 236 THR A O 1 ATOM 1576 C CB . THR A 1 201 ? -0.537 -36.406 -35.738 1.00 23.99 ? 236 THR A CB 1 ATOM 1577 O OG1 . THR A 1 201 ? -1.788 -36.142 -36.416 1.00 26.60 ? 236 THR A OG1 1 ATOM 1578 C CG2 . THR A 1 201 ? 0.515 -36.868 -36.717 1.00 27.88 ? 236 THR A CG2 1 ATOM 1579 N N . ASN A 1 202 ? -0.994 -36.253 -32.520 1.00 22.83 ? 237 ASN A N 1 ATOM 1580 C CA . ASN A 1 202 ? -1.767 -35.770 -31.384 1.00 21.80 ? 237 ASN A CA 1 ATOM 1581 C C . ASN A 1 202 ? -1.362 -34.305 -31.171 1.00 18.88 ? 237 ASN A C 1 ATOM 1582 O O . ASN A 1 202 ? -0.514 -33.799 -31.864 1.00 18.40 ? 237 ASN A O 1 ATOM 1583 C CB . ASN A 1 202 ? -1.460 -36.631 -30.155 1.00 20.08 ? 237 ASN A CB 1 ATOM 1584 C CG . ASN A 1 202 ? 0.014 -36.766 -29.904 1.00 23.40 ? 237 ASN A CG 1 ATOM 1585 O OD1 . ASN A 1 202 ? 0.783 -35.855 -30.200 1.00 27.06 ? 237 ASN A OD1 1 ATOM 1586 N ND2 . ASN A 1 202 ? 0.443 -37.922 -29.335 1.00 25.36 ? 237 ASN A ND2 1 ATOM 1587 N N . GLN A 1 203 ? -1.918 -33.686 -30.158 1.00 19.78 ? 238 GLN A N 1 ATOM 1588 C CA . GLN A 1 203 ? -1.640 -32.286 -29.863 1.00 18.93 ? 238 GLN A CA 1 ATOM 1589 C C . GLN A 1 203 ? -0.179 -32.061 -29.518 1.00 19.16 ? 238 GLN A C 1 ATOM 1590 O O . GLN A 1 203 ? 0.372 -30.981 -29.752 1.00 18.08 ? 238 GLN A O 1 ATOM 1591 C CB . GLN A 1 203 ? -2.563 -31.816 -28.790 1.00 19.71 ? 238 GLN A CB 1 ATOM 1592 C CG . GLN A 1 203 ? -4.004 -31.629 -29.310 1.00 22.43 ? 238 GLN A CG 1 ATOM 1593 C CD . GLN A 1 203 ? -4.966 -31.362 -28.191 1.00 27.19 ? 238 GLN A CD 1 ATOM 1594 O OE1 . GLN A 1 203 ? -4.619 -31.472 -27.011 1.00 30.55 ? 238 GLN A OE1 1 ATOM 1595 N NE2 . GLN A 1 203 ? -6.196 -31.034 -28.538 1.00 25.40 ? 238 GLN A NE2 1 ATOM 1596 N N . LEU A 1 204 ? 0.501 -33.079 -29.013 1.00 18.50 ? 239 LEU A N 1 ATOM 1597 C CA . LEU A 1 204 ? 1.918 -32.885 -28.751 1.00 19.06 ? 239 LEU A CA 1 ATOM 1598 C C . LEU A 1 204 ? 2.696 -32.642 -30.018 1.00 18.85 ? 239 LEU A C 1 ATOM 1599 O O . LEU A 1 204 ? 3.620 -31.825 -30.070 1.00 19.35 ? 239 LEU A O 1 ATOM 1600 C CB . LEU A 1 204 ? 2.498 -34.036 -27.964 1.00 18.97 ? 239 LEU A CB 1 ATOM 1601 C CG . LEU A 1 204 ? 2.009 -34.325 -26.538 1.00 22.15 ? 239 LEU A CG 1 ATOM 1602 C CD1 . LEU A 1 204 ? 2.746 -35.551 -26.083 1.00 25.63 ? 239 LEU A CD1 1 ATOM 1603 C CD2 . LEU A 1 204 ? 2.314 -33.169 -25.572 1.00 22.75 ? 239 LEU A CD2 1 ATOM 1604 N N . ASP A 1 205 ? 2.312 -33.357 -31.079 1.00 19.64 ? 240 ASP A N 1 ATOM 1605 C CA . ASP A 1 205 ? 2.907 -33.179 -32.395 1.00 18.51 ? 240 ASP A CA 1 ATOM 1606 C C . ASP A 1 205 ? 2.693 -31.802 -32.893 1.00 19.58 ? 240 ASP A C 1 ATOM 1607 O O . ASP A 1 205 ? 3.526 -31.237 -33.521 1.00 20.49 ? 240 ASP A O 1 ATOM 1608 C CB . ASP A 1 205 ? 2.237 -34.161 -33.349 1.00 19.63 ? 240 ASP A CB 1 ATOM 1609 C CG . ASP A 1 205 ? 2.749 -35.591 -33.134 1.00 23.74 ? 240 ASP A CG 1 ATOM 1610 O OD1 . ASP A 1 205 ? 3.984 -35.744 -33.093 1.00 27.95 ? 240 ASP A OD1 1 ATOM 1611 O OD2 . ASP A 1 205 ? 1.921 -36.504 -32.959 1.00 24.84 ? 240 ASP A OD2 1 ATOM 1612 N N . GLY A 1 206 ? 1.560 -31.246 -32.543 1.00 21.09 ? 241 GLY A N 1 ATOM 1613 C CA . GLY A 1 206 ? 1.220 -29.900 -32.912 1.00 20.16 ? 241 GLY A CA 1 ATOM 1614 C C . GLY A 1 206 ? 2.035 -28.845 -32.215 1.00 20.90 ? 241 GLY A C 1 ATOM 1615 O O . GLY A 1 206 ? 2.003 -27.699 -32.628 1.00 20.00 ? 241 GLY A O 1 ATOM 1616 N N . MET A 1 207 ? 2.738 -29.208 -31.128 1.00 19.90 ? 242 MET A N 1 ATOM 1617 C CA . MET A 1 207 ? 3.519 -28.218 -30.399 1.00 19.79 ? 242 MET A CA 1 ATOM 1618 C C . MET A 1 207 ? 4.814 -28.008 -31.106 1.00 19.94 ? 242 MET A C 1 ATOM 1619 O O . MET A 1 207 ? 5.716 -28.846 -31.052 1.00 20.69 ? 242 MET A O 1 ATOM 1620 C CB . MET A 1 207 ? 3.704 -28.655 -28.943 1.00 20.15 ? 242 MET A CB 1 ATOM 1621 C CG . MET A 1 207 ? 2.425 -28.829 -28.260 1.00 21.18 ? 242 MET A CG 1 ATOM 1622 S SD . MET A 1 207 ? 2.771 -29.301 -26.517 1.00 22.47 ? 242 MET A SD 1 ATOM 1623 C CE . MET A 1 207 ? 3.566 -27.847 -25.900 1.00 17.87 ? 242 MET A CE 1 ATOM 1624 N N . ASP A 1 208 ? 4.911 -26.901 -31.827 1.00 18.34 ? 243 ASP A N 1 ATOM 1625 C CA . ASP A 1 208 ? 6.114 -26.578 -32.569 1.00 17.28 ? 243 ASP A CA 1 ATOM 1626 C C . ASP A 1 208 ? 7.277 -26.407 -31.620 1.00 18.18 ? 243 ASP A C 1 ATOM 1627 O O . ASP A 1 208 ? 8.398 -26.816 -31.900 1.00 16.45 ? 243 ASP A O 1 ATOM 1628 C CB . ASP A 1 208 ? 5.947 -25.237 -33.247 1.00 17.34 ? 243 ASP A CB 1 ATOM 1629 C CG . ASP A 1 208 ? 5.850 -25.371 -34.743 1.00 18.22 ? 243 ASP A CG 1 ATOM 1630 O OD1 . ASP A 1 208 ? 5.275 -26.382 -35.144 1.00 17.84 ? 243 ASP A OD1 1 ATOM 1631 O OD2 . ASP A 1 208 ? 6.340 -24.493 -35.471 1.00 19.32 ? 243 ASP A OD2 1 ATOM 1632 N N . LEU A 1 209 ? 6.979 -25.672 -30.546 1.00 15.25 ? 244 LEU A N 1 ATOM 1633 C CA . LEU A 1 209 ? 7.964 -25.212 -29.630 1.00 15.54 ? 244 LEU A CA 1 ATOM 1634 C C . LEU A 1 209 ? 7.186 -24.841 -28.385 1.00 14.87 ? 244 LEU A C 1 ATOM 1635 O O . LEU A 1 209 ? 6.122 -24.231 -28.467 1.00 15.48 ? 244 LEU A O 1 ATOM 1636 C CB . LEU A 1 209 ? 8.675 -24.030 -30.204 1.00 13.46 ? 244 LEU A CB 1 ATOM 1637 C CG . LEU A 1 209 ? 9.752 -23.382 -29.340 1.00 15.78 ? 244 LEU A CG 1 ATOM 1638 C CD1 . LEU A 1 209 ? 10.873 -24.451 -28.991 1.00 17.19 ? 244 LEU A CD1 1 ATOM 1639 C CD2 . LEU A 1 209 ? 10.293 -22.150 -30.045 1.00 13.69 ? 244 LEU A CD2 1 ATOM 1640 N N . LEU A 1 210 ? 7.670 -25.335 -27.252 1.00 15.56 ? 245 LEU A N 1 ATOM 1641 C CA . LEU A 1 210 ? 7.118 -24.944 -25.980 1.00 13.72 ? 245 LEU A CA 1 ATOM 1642 C C . LEU A 1 210 ? 8.123 -24.004 -25.345 1.00 14.25 ? 245 LEU A C 1 ATOM 1643 O O . LEU A 1 210 ? 9.246 -24.405 -24.998 1.00 14.51 ? 245 LEU A O 1 ATOM 1644 C CB . LEU A 1 210 ? 6.804 -26.182 -25.071 1.00 12.60 ? 245 LEU A CB 1 ATOM 1645 C CG . LEU A 1 210 ? 6.473 -25.775 -23.612 1.00 11.59 ? 245 LEU A CG 1 ATOM 1646 C CD1 . LEU A 1 210 ? 5.115 -24.994 -23.543 1.00 10.62 ? 245 LEU A CD1 1 ATOM 1647 C CD2 . LEU A 1 210 ? 6.446 -26.988 -22.608 1.00 11.43 ? 245 LEU A CD2 1 ATOM 1648 N N . VAL A 1 211 ? 7.724 -22.748 -25.191 1.00 11.85 ? 246 VAL A N 1 ATOM 1649 C CA . VAL A 1 211 ? 8.575 -21.747 -24.575 1.00 12.49 ? 246 VAL A CA 1 ATOM 1650 C C . VAL A 1 211 ? 7.991 -21.523 -23.201 1.00 12.57 ? 246 VAL A C 1 ATOM 1651 O O . VAL A 1 211 ? 6.918 -20.945 -23.019 1.00 12.80 ? 246 VAL A O 1 ATOM 1652 C CB . VAL A 1 211 ? 8.531 -20.422 -25.368 1.00 12.79 ? 246 VAL A CB 1 ATOM 1653 C CG1 . VAL A 1 211 ? 9.497 -19.385 -24.789 1.00 12.64 ? 246 VAL A CG1 1 ATOM 1654 C CG2 . VAL A 1 211 ? 8.861 -20.737 -26.807 1.00 11.30 ? 246 VAL A CG2 1 ATOM 1655 N N . LEU A 1 212 ? 8.746 -21.981 -22.228 1.00 12.25 ? 247 LEU A N 1 ATOM 1656 C CA . LEU A 1 212 ? 8.243 -22.037 -20.862 1.00 12.32 ? 247 LEU A CA 1 ATOM 1657 C C . LEU A 1 212 ? 8.965 -20.986 -20.086 1.00 11.76 ? 247 LEU A C 1 ATOM 1658 O O . LEU A 1 212 ? 10.195 -21.014 -20.003 1.00 11.64 ? 247 LEU A O 1 ATOM 1659 C CB . LEU A 1 212 ? 8.501 -23.392 -20.235 1.00 12.60 ? 247 LEU A CB 1 ATOM 1660 C CG . LEU A 1 212 ? 8.099 -23.440 -18.743 1.00 10.37 ? 247 LEU A CG 1 ATOM 1661 C CD1 . LEU A 1 212 ? 6.551 -23.222 -18.603 1.00 11.51 ? 247 LEU A CD1 1 ATOM 1662 C CD2 . LEU A 1 212 ? 8.495 -24.818 -18.113 1.00 9.52 ? 247 LEU A CD2 1 ATOM 1663 N N . LEU A 1 213 ? 8.205 -20.048 -19.524 1.00 9.00 ? 248 LEU A N 1 ATOM 1664 C CA . LEU A 1 213 ? 8.785 -18.905 -18.876 1.00 9.10 ? 248 LEU A CA 1 ATOM 1665 C C . LEU A 1 213 ? 8.650 -19.221 -17.422 1.00 9.11 ? 248 LEU A C 1 ATOM 1666 O O . LEU A 1 213 ? 7.561 -19.561 -16.967 1.00 9.76 ? 248 LEU A O 1 ATOM 1667 C CB . LEU A 1 213 ? 7.950 -17.637 -19.111 1.00 9.50 ? 248 LEU A CB 1 ATOM 1668 C CG . LEU A 1 213 ? 8.028 -16.957 -20.474 1.00 14.03 ? 248 LEU A CG 1 ATOM 1669 C CD1 . LEU A 1 213 ? 7.573 -17.909 -21.466 1.00 24.33 ? 248 LEU A CD1 1 ATOM 1670 C CD2 . LEU A 1 213 ? 7.127 -15.678 -20.443 1.00 17.93 ? 248 LEU A CD2 1 ATOM 1671 N N . ASP A 1 214 ? 9.757 -19.074 -16.693 1.00 9.19 ? 249 ASP A N 1 ATOM 1672 C CA . ASP A 1 214 ? 9.680 -19.294 -15.259 1.00 9.71 ? 249 ASP A CA 1 ATOM 1673 C C . ASP A 1 214 ? 10.726 -18.431 -14.538 1.00 10.48 ? 249 ASP A C 1 ATOM 1674 O O . ASP A 1 214 ? 11.777 -18.171 -15.051 1.00 10.10 ? 249 ASP A O 1 ATOM 1675 C CB . ASP A 1 214 ? 9.858 -20.784 -14.938 1.00 9.41 ? 249 ASP A CB 1 ATOM 1676 C CG . ASP A 1 214 ? 9.314 -21.188 -13.569 1.00 8.06 ? 249 ASP A CG 1 ATOM 1677 O OD1 . ASP A 1 214 ? 8.999 -20.386 -12.714 1.00 12.30 ? 249 ASP A OD1 1 ATOM 1678 O OD2 . ASP A 1 214 ? 9.281 -22.429 -13.307 1.00 11.70 ? 249 ASP A OD2 1 ATOM 1679 N N . LEU A 1 215 ? 10.394 -17.957 -13.350 1.00 9.05 ? 250 LEU A N 1 ATOM 1680 C CA . LEU A 1 215 ? 11.383 -17.267 -12.547 1.00 10.57 ? 250 LEU A CA 1 ATOM 1681 C C . LEU A 1 215 ? 11.868 -16.046 -13.274 1.00 12.47 ? 250 LEU A C 1 ATOM 1682 O O . LEU A 1 215 ? 13.088 -15.772 -13.362 1.00 13.10 ? 250 LEU A O 1 ATOM 1683 C CB . LEU A 1 215 ? 12.568 -18.148 -12.180 1.00 12.38 ? 250 LEU A CB 1 ATOM 1684 C CG . LEU A 1 215 ? 12.168 -19.454 -11.468 1.00 10.49 ? 250 LEU A CG 1 ATOM 1685 C CD1 . LEU A 1 215 ? 13.411 -20.071 -10.906 1.00 14.11 ? 250 LEU A CD1 1 ATOM 1686 C CD2 . LEU A 1 215 ? 11.186 -19.170 -10.390 1.00 11.45 ? 250 LEU A CD2 1 ATOM 1687 N N . ILE A 1 216 ? 10.916 -15.229 -13.685 1.00 9.21 ? 251 ILE A N 1 ATOM 1688 C CA . ILE A 1 216 ? 11.259 -13.982 -14.321 1.00 10.79 ? 251 ILE A CA 1 ATOM 1689 C C . ILE A 1 216 ? 10.711 -12.856 -13.500 1.00 12.24 ? 251 ILE A C 1 ATOM 1690 O O . ILE A 1 216 ? 9.575 -12.910 -13.038 1.00 11.66 ? 251 ILE A O 1 ATOM 1691 C CB . ILE A 1 216 ? 10.665 -13.889 -15.751 1.00 10.60 ? 251 ILE A CB 1 ATOM 1692 C CG1 . ILE A 1 216 ? 11.163 -15.092 -16.638 1.00 9.20 ? 251 ILE A CG1 1 ATOM 1693 C CG2 . ILE A 1 216 ? 10.920 -12.503 -16.296 1.00 7.92 ? 251 ILE A CG2 1 ATOM 1694 C CD1 . ILE A 1 216 ? 10.581 -15.168 -18.096 1.00 12.67 ? 251 ILE A CD1 1 ATOM 1695 N N . GLY A 1 217 ? 11.539 -11.830 -13.288 1.00 10.72 ? 252 GLY A N 1 ATOM 1696 C CA . GLY A 1 217 ? 11.086 -10.643 -12.698 1.00 12.40 ? 252 GLY A CA 1 ATOM 1697 C C . GLY A 1 217 ? 12.160 -10.057 -11.808 1.00 13.34 ? 252 GLY A C 1 ATOM 1698 O O . GLY A 1 217 ? 12.057 -8.904 -11.417 1.00 15.22 ? 252 GLY A O 1 ATOM 1699 N N . ALA A 1 218 ? 13.126 -10.869 -11.408 1.00 14.48 ? 253 ALA A N 1 ATOM 1700 C CA . ALA A 1 218 ? 14.321 -10.387 -10.711 1.00 16.02 ? 253 ALA A CA 1 ATOM 1701 C C . ALA A 1 218 ? 15.200 -9.567 -11.677 1.00 18.98 ? 253 ALA A C 1 ATOM 1702 O O . ALA A 1 218 ? 15.157 -9.731 -12.906 1.00 18.80 ? 253 ALA A O 1 ATOM 1703 C CB . ALA A 1 218 ? 15.158 -11.557 -10.159 1.00 16.00 ? 253 ALA A CB 1 ATOM 1704 N N . ALA A 1 219 ? 15.977 -8.666 -11.091 1.00 19.24 ? 254 ALA A N 1 ATOM 1705 C CA . ALA A 1 219 ? 17.007 -7.935 -11.788 1.00 20.98 ? 254 ALA A CA 1 ATOM 1706 C C . ALA A 1 219 ? 18.076 -8.940 -12.236 1.00 21.71 ? 254 ALA A C 1 ATOM 1707 O O . ALA A 1 219 ? 18.311 -9.953 -11.579 1.00 23.89 ? 254 ALA A O 1 ATOM 1708 C CB . ALA A 1 219 ? 17.644 -6.920 -10.797 1.00 21.13 ? 254 ALA A CB 1 ATOM 1709 N N . ASN A 1 220 ? 18.657 -8.685 -13.389 1.00 21.93 ? 255 ASN A N 1 ATOM 1710 C CA . ASN A 1 220 ? 19.797 -9.472 -13.874 1.00 22.36 ? 255 ASN A CA 1 ATOM 1711 C C . ASN A 1 220 ? 19.635 -10.981 -13.918 1.00 20.79 ? 255 ASN A C 1 ATOM 1712 O O . ASN A 1 220 ? 20.517 -11.728 -13.492 1.00 20.69 ? 255 ASN A O 1 ATOM 1713 C CB . ASN A 1 220 ? 21.042 -9.004 -13.108 1.00 23.82 ? 255 ASN A CB 1 ATOM 1714 C CG . ASN A 1 220 ? 21.129 -7.444 -13.104 1.00 28.06 ? 255 ASN A CG 1 ATOM 1715 O OD1 . ASN A 1 220 ? 21.134 -6.791 -14.191 1.00 34.26 ? 255 ASN A OD1 1 ATOM 1716 N ND2 . ASN A 1 220 ? 21.112 -6.850 -11.905 1.00 32.36 ? 255 ASN A ND2 1 ATOM 1717 N N . PRO A 1 221 ? 18.516 -11.440 -14.501 1.00 19.61 ? 256 PRO A N 1 ATOM 1718 C CA . PRO A 1 221 ? 18.344 -12.831 -14.806 1.00 18.36 ? 256 PRO A CA 1 ATOM 1719 C C . PRO A 1 221 ? 19.338 -13.242 -15.905 1.00 18.32 ? 256 PRO A C 1 ATOM 1720 O O . PRO A 1 221 ? 19.762 -12.414 -16.753 1.00 20.23 ? 256 PRO A O 1 ATOM 1721 C CB . PRO A 1 221 ? 16.923 -12.872 -15.370 1.00 17.76 ? 256 PRO A CB 1 ATOM 1722 C CG . PRO A 1 221 ? 16.800 -11.509 -16.062 1.00 14.85 ? 256 PRO A CG 1 ATOM 1723 C CD . PRO A 1 221 ? 17.409 -10.615 -15.051 1.00 18.47 ? 256 PRO A CD 1 ATOM 1724 N N . THR A 1 222 ? 19.638 -14.523 -15.948 1.00 17.39 ? 257 THR A N 1 ATOM 1725 C CA . THR A 1 222 ? 20.346 -15.099 -17.041 1.00 19.20 ? 257 THR A CA 1 ATOM 1726 C C . THR A 1 222 ? 19.614 -16.388 -17.310 1.00 17.62 ? 257 THR A C 1 ATOM 1727 O O . THR A 1 222 ? 19.256 -17.106 -16.393 1.00 18.05 ? 257 THR A O 1 ATOM 1728 C CB . THR A 1 222 ? 21.881 -15.284 -16.748 1.00 20.76 ? 257 THR A CB 1 ATOM 1729 O OG1 . THR A 1 222 ? 22.057 -16.098 -15.595 1.00 29.16 ? 257 THR A OG1 1 ATOM 1730 C CG2 . THR A 1 222 ? 22.500 -14.008 -16.392 1.00 20.20 ? 257 THR A CG2 1 ATOM 1731 N N . PHE A 1 223 ? 19.291 -16.593 -18.576 1.00 15.20 ? 258 PHE A N 1 ATOM 1732 C CA . PHE A 1 223 ? 18.549 -17.727 -19.091 1.00 16.22 ? 258 PHE A CA 1 ATOM 1733 C C . PHE A 1 223 ? 19.494 -18.632 -19.854 1.00 17.77 ? 258 PHE A C 1 ATOM 1734 O O . PHE A 1 223 ? 19.927 -18.266 -20.941 1.00 17.08 ? 258 PHE A O 1 ATOM 1735 C CB . PHE A 1 223 ? 17.471 -17.213 -20.066 1.00 14.85 ? 258 PHE A CB 1 ATOM 1736 C CG . PHE A 1 223 ? 16.521 -16.319 -19.399 1.00 15.78 ? 258 PHE A CG 1 ATOM 1737 C CD1 . PHE A 1 223 ? 15.506 -16.851 -18.629 1.00 12.51 ? 258 PHE A CD1 1 ATOM 1738 C CD2 . PHE A 1 223 ? 16.696 -14.971 -19.421 1.00 16.81 ? 258 PHE A CD2 1 ATOM 1739 C CE1 . PHE A 1 223 ? 14.639 -16.051 -17.931 1.00 14.34 ? 258 PHE A CE1 1 ATOM 1740 C CE2 . PHE A 1 223 ? 15.846 -14.149 -18.731 1.00 18.54 ? 258 PHE A CE2 1 ATOM 1741 C CZ . PHE A 1 223 ? 14.774 -14.683 -18.010 1.00 18.56 ? 258 PHE A CZ 1 ATOM 1742 N N . PRO A 1 224 ? 19.741 -19.840 -19.315 1.00 19.18 ? 259 PRO A N 1 ATOM 1743 C CA . PRO A 1 224 ? 20.641 -20.782 -19.965 1.00 19.87 ? 259 PRO A CA 1 ATOM 1744 C C . PRO A 1 224 ? 19.982 -21.339 -21.198 1.00 20.04 ? 259 PRO A C 1 ATOM 1745 O O . PRO A 1 224 ? 18.740 -21.385 -21.305 1.00 19.69 ? 259 PRO A O 1 ATOM 1746 C CB . PRO A 1 224 ? 20.731 -21.922 -18.957 1.00 20.90 ? 259 PRO A CB 1 ATOM 1747 C CG . PRO A 1 224 ? 20.377 -21.283 -17.629 1.00 19.59 ? 259 PRO A CG 1 ATOM 1748 C CD . PRO A 1 224 ? 19.245 -20.386 -18.035 1.00 18.45 ? 259 PRO A CD 1 ATOM 1749 N N . ASN A 1 225 ? 20.823 -21.815 -22.102 1.00 19.78 ? 260 ASN A N 1 ATOM 1750 C CA . ASN A 1 225 ? 20.362 -22.546 -23.245 1.00 20.43 ? 260 ASN A CA 1 ATOM 1751 C C . ASN A 1 225 ? 20.434 -24.030 -22.948 1.00 21.55 ? 260 ASN A C 1 ATOM 1752 O O . ASN A 1 225 ? 21.493 -24.613 -22.932 1.00 23.96 ? 260 ASN A O 1 ATOM 1753 C CB . ASN A 1 225 ? 21.273 -22.179 -24.392 1.00 20.65 ? 260 ASN A CB 1 ATOM 1754 C CG . ASN A 1 225 ? 20.821 -22.751 -25.699 1.00 22.28 ? 260 ASN A CG 1 ATOM 1755 O OD1 . ASN A 1 225 ? 19.725 -23.326 -25.830 1.00 24.99 ? 260 ASN A OD1 1 ATOM 1756 N ND2 . ASN A 1 225 ? 21.668 -22.588 -26.694 1.00 24.43 ? 260 ASN A ND2 1 ATOM 1757 N N . PHE A 1 226 ? 19.313 -24.688 -22.787 1.00 21.71 ? 261 PHE A N 1 ATOM 1758 C CA . PHE A 1 226 ? 19.335 -26.005 -22.237 1.00 21.66 ? 261 PHE A CA 1 ATOM 1759 C C . PHE A 1 226 ? 19.419 -27.074 -23.296 1.00 23.03 ? 261 PHE A C 1 ATOM 1760 O O . PHE A 1 226 ? 19.843 -28.208 -23.007 1.00 23.58 ? 261 PHE A O 1 ATOM 1761 C CB . PHE A 1 226 ? 18.055 -26.236 -21.449 1.00 20.57 ? 261 PHE A CB 1 ATOM 1762 C CG . PHE A 1 226 ? 17.991 -25.468 -20.187 1.00 19.25 ? 261 PHE A CG 1 ATOM 1763 C CD1 . PHE A 1 226 ? 17.201 -24.336 -20.118 1.00 15.53 ? 261 PHE A CD1 1 ATOM 1764 C CD2 . PHE A 1 226 ? 18.704 -25.909 -19.045 1.00 17.92 ? 261 PHE A CD2 1 ATOM 1765 C CE1 . PHE A 1 226 ? 17.118 -23.603 -18.910 1.00 14.31 ? 261 PHE A CE1 1 ATOM 1766 C CE2 . PHE A 1 226 ? 18.642 -25.190 -17.828 1.00 12.53 ? 261 PHE A CE2 1 ATOM 1767 C CZ . PHE A 1 226 ? 17.859 -23.997 -17.779 1.00 16.17 ? 261 PHE A CZ 1 ATOM 1768 N N . PHE A 1 227 ? 18.907 -26.780 -24.491 1.00 22.42 ? 262 PHE A N 1 ATOM 1769 C CA . PHE A 1 227 ? 18.615 -27.861 -25.414 1.00 22.54 ? 262 PHE A CA 1 ATOM 1770 C C . PHE A 1 227 ? 19.188 -27.648 -26.775 1.00 23.73 ? 262 PHE A C 1 ATOM 1771 O O . PHE A 1 227 ? 18.814 -26.656 -27.429 1.00 24.13 ? 262 PHE A O 1 ATOM 1772 C CB . PHE A 1 227 ? 17.120 -28.114 -25.541 1.00 23.20 ? 262 PHE A CB 1 ATOM 1773 C CG . PHE A 1 227 ? 16.463 -28.341 -24.234 1.00 21.66 ? 262 PHE A CG 1 ATOM 1774 C CD1 . PHE A 1 227 ? 16.748 -29.486 -23.516 1.00 17.52 ? 262 PHE A CD1 1 ATOM 1775 C CD2 . PHE A 1 227 ? 15.626 -27.390 -23.700 1.00 23.62 ? 262 PHE A CD2 1 ATOM 1776 C CE1 . PHE A 1 227 ? 16.175 -29.703 -22.293 1.00 23.47 ? 262 PHE A CE1 1 ATOM 1777 C CE2 . PHE A 1 227 ? 15.064 -27.580 -22.428 1.00 18.01 ? 262 PHE A CE2 1 ATOM 1778 C CZ . PHE A 1 227 ? 15.300 -28.757 -21.759 1.00 19.42 ? 262 PHE A CZ 1 ATOM 1779 N N . PRO A 1 228 ? 20.084 -28.579 -27.207 1.00 23.69 ? 263 PRO A N 1 ATOM 1780 C CA . PRO A 1 228 ? 20.574 -28.539 -28.596 1.00 24.71 ? 263 PRO A CA 1 ATOM 1781 C C . PRO A 1 228 ? 19.452 -28.338 -29.596 1.00 24.24 ? 263 PRO A C 1 ATOM 1782 O O . PRO A 1 228 ? 19.560 -27.474 -30.466 1.00 26.13 ? 263 PRO A O 1 ATOM 1783 C CB . PRO A 1 228 ? 21.191 -29.947 -28.806 1.00 23.78 ? 263 PRO A CB 1 ATOM 1784 C CG . PRO A 1 228 ? 21.574 -30.440 -27.467 1.00 25.60 ? 263 PRO A CG 1 ATOM 1785 C CD . PRO A 1 228 ? 20.603 -29.765 -26.463 1.00 24.08 ? 263 PRO A CD 1 ATOM 1786 N N . LYS A 1 229 ? 18.396 -29.123 -29.466 1.00 24.64 ? 264 LYS A N 1 ATOM 1787 C CA . LYS A 1 229 ? 17.209 -29.039 -30.306 1.00 24.39 ? 264 LYS A CA 1 ATOM 1788 C C . LYS A 1 229 ? 16.674 -27.629 -30.565 1.00 24.43 ? 264 LYS A C 1 ATOM 1789 O O . LYS A 1 229 ? 16.274 -27.312 -31.681 1.00 25.21 ? 264 LYS A O 1 ATOM 1790 C CB . LYS A 1 229 ? 16.096 -29.876 -29.731 1.00 25.42 ? 264 LYS A CB 1 ATOM 1791 C CG . LYS A 1 229 ? 14.926 -30.098 -30.719 1.00 28.81 ? 264 LYS A CG 1 ATOM 1792 C CD . LYS A 1 229 ? 13.743 -30.856 -30.090 1.00 28.81 ? 264 LYS A CD 1 ATOM 1793 C CE . LYS A 1 229 ? 13.939 -32.341 -29.919 1.00 31.75 ? 264 LYS A CE 1 ATOM 1794 N NZ . LYS A 1 229 ? 12.626 -33.090 -29.861 1.00 26.99 ? 264 LYS A NZ 1 ATOM 1795 N N . THR A 1 230 ? 16.646 -26.768 -29.566 1.00 23.93 ? 265 THR A N 1 ATOM 1796 C CA . THR A 1 230 ? 16.093 -25.425 -29.792 1.00 21.50 ? 265 THR A CA 1 ATOM 1797 C C . THR A 1 230 ? 17.123 -24.347 -29.672 1.00 22.31 ? 265 THR A C 1 ATOM 1798 O O . THR A 1 230 ? 16.782 -23.139 -29.554 1.00 21.37 ? 265 THR A O 1 ATOM 1799 C CB . THR A 1 230 ? 14.927 -25.175 -28.794 1.00 22.32 ? 265 THR A CB 1 ATOM 1800 O OG1 . THR A 1 230 ? 15.409 -25.494 -27.496 1.00 20.23 ? 265 THR A OG1 1 ATOM 1801 C CG2 . THR A 1 230 ? 13.815 -26.093 -29.093 1.00 19.80 ? 265 THR A CG2 1 ATOM 1802 N N . THR A 1 231 ? 18.414 -24.718 -29.767 1.00 21.34 ? 266 THR A N 1 ATOM 1803 C CA . THR A 1 231 ? 19.431 -23.704 -29.626 1.00 20.37 ? 266 THR A CA 1 ATOM 1804 C C . THR A 1 231 ? 19.238 -22.572 -30.620 1.00 18.99 ? 266 THR A C 1 ATOM 1805 O O . THR A 1 231 ? 19.523 -21.424 -30.307 1.00 18.55 ? 266 THR A O 1 ATOM 1806 C CB . THR A 1 231 ? 20.833 -24.296 -29.768 1.00 22.71 ? 266 THR A CB 1 ATOM 1807 O OG1 . THR A 1 231 ? 21.038 -25.211 -28.671 1.00 29.98 ? 266 THR A OG1 1 ATOM 1808 C CG2 . THR A 1 231 ? 21.799 -23.207 -29.651 1.00 19.65 ? 266 THR A CG2 1 ATOM 1809 N N . ARG A 1 232 ? 18.726 -22.878 -31.810 1.00 19.27 ? 267 ARG A N 1 ATOM 1810 C CA . ARG A 1 232 ? 18.575 -21.803 -32.830 1.00 19.92 ? 267 ARG A CA 1 ATOM 1811 C C . ARG A 1 232 ? 17.550 -20.789 -32.385 1.00 19.67 ? 267 ARG A C 1 ATOM 1812 O O . ARG A 1 232 ? 17.633 -19.614 -32.708 1.00 17.18 ? 267 ARG A O 1 ATOM 1813 C CB . ARG A 1 232 ? 18.137 -22.368 -34.172 1.00 19.06 ? 267 ARG A CB 1 ATOM 1814 C CG . ARG A 1 232 ? 16.863 -23.172 -34.171 1.00 19.99 ? 267 ARG A CG 1 ATOM 1815 C CD . ARG A 1 232 ? 16.827 -24.045 -35.384 1.00 21.11 ? 267 ARG A CD 1 ATOM 1816 N NE . ARG A 1 232 ? 15.566 -24.726 -35.556 1.00 27.37 ? 267 ARG A NE 1 ATOM 1817 C CZ . ARG A 1 232 ? 14.588 -24.254 -36.331 1.00 32.30 ? 267 ARG A CZ 1 ATOM 1818 N NH1 . ARG A 1 232 ? 14.759 -23.106 -36.961 1.00 27.86 ? 267 ARG A NH1 1 ATOM 1819 N NH2 . ARG A 1 232 ? 13.441 -24.936 -36.471 1.00 32.91 ? 267 ARG A NH2 1 ATOM 1820 N N . TRP A 1 233 ? 16.576 -21.279 -31.618 1.00 18.61 ? 268 TRP A N 1 ATOM 1821 C CA . TRP A 1 233 ? 15.588 -20.366 -31.071 1.00 18.33 ? 268 TRP A CA 1 ATOM 1822 C C . TRP A 1 233 ? 16.174 -19.632 -29.886 1.00 17.65 ? 268 TRP A C 1 ATOM 1823 O O . TRP A 1 233 ? 15.887 -18.460 -29.665 1.00 18.18 ? 268 TRP A O 1 ATOM 1824 C CB . TRP A 1 233 ? 14.362 -21.157 -30.688 1.00 17.03 ? 268 TRP A CB 1 ATOM 1825 C CG . TRP A 1 233 ? 13.720 -21.757 -31.925 1.00 18.50 ? 268 TRP A CG 1 ATOM 1826 C CD1 . TRP A 1 233 ? 13.546 -23.061 -32.192 1.00 19.24 ? 268 TRP A CD1 1 ATOM 1827 C CD2 . TRP A 1 233 ? 13.194 -21.046 -33.034 1.00 17.77 ? 268 TRP A CD2 1 ATOM 1828 N NE1 . TRP A 1 233 ? 12.957 -23.216 -33.444 1.00 21.96 ? 268 TRP A NE1 1 ATOM 1829 C CE2 . TRP A 1 233 ? 12.723 -21.979 -33.953 1.00 16.80 ? 268 TRP A CE2 1 ATOM 1830 C CE3 . TRP A 1 233 ? 13.086 -19.689 -33.344 1.00 16.31 ? 268 TRP A CE3 1 ATOM 1831 C CZ2 . TRP A 1 233 ? 12.136 -21.601 -35.167 1.00 19.12 ? 268 TRP A CZ2 1 ATOM 1832 C CZ3 . TRP A 1 233 ? 12.481 -19.318 -34.532 1.00 17.76 ? 268 TRP A CZ3 1 ATOM 1833 C CH2 . TRP A 1 233 ? 12.031 -20.268 -35.424 1.00 15.05 ? 268 TRP A CH2 1 ATOM 1834 N N . PHE A 1 234 ? 17.044 -20.276 -29.137 1.00 15.43 ? 269 PHE A N 1 ATOM 1835 C CA . PHE A 1 234 ? 17.707 -19.511 -28.087 1.00 17.43 ? 269 PHE A CA 1 ATOM 1836 C C . PHE A 1 234 ? 18.523 -18.389 -28.703 1.00 16.81 ? 269 PHE A C 1 ATOM 1837 O O . PHE A 1 234 ? 18.529 -17.248 -28.253 1.00 17.72 ? 269 PHE A O 1 ATOM 1838 C CB . PHE A 1 234 ? 18.545 -20.445 -27.217 1.00 18.49 ? 269 PHE A CB 1 ATOM 1839 C CG . PHE A 1 234 ? 19.246 -19.738 -26.122 1.00 16.41 ? 269 PHE A CG 1 ATOM 1840 C CD1 . PHE A 1 234 ? 18.660 -19.605 -24.889 1.00 16.76 ? 269 PHE A CD1 1 ATOM 1841 C CD2 . PHE A 1 234 ? 20.510 -19.186 -26.345 1.00 18.07 ? 269 PHE A CD2 1 ATOM 1842 C CE1 . PHE A 1 234 ? 19.301 -18.963 -23.840 1.00 18.78 ? 269 PHE A CE1 1 ATOM 1843 C CE2 . PHE A 1 234 ? 21.156 -18.481 -25.319 1.00 19.78 ? 269 PHE A CE2 1 ATOM 1844 C CZ . PHE A 1 234 ? 20.566 -18.362 -24.066 1.00 16.61 ? 269 PHE A CZ 1 ATOM 1845 N N . ASN A 1 235 ? 19.209 -18.723 -29.776 1.00 18.44 ? 270 ASN A N 1 ATOM 1846 C CA . ASN A 1 235 ? 20.006 -17.767 -30.549 1.00 19.56 ? 270 ASN A CA 1 ATOM 1847 C C . ASN A 1 235 ? 19.174 -16.592 -31.058 1.00 18.83 ? 270 ASN A C 1 ATOM 1848 O O . ASN A 1 235 ? 19.647 -15.491 -31.130 1.00 18.57 ? 270 ASN A O 1 ATOM 1849 C CB . ASN A 1 235 ? 20.645 -18.533 -31.710 1.00 20.62 ? 270 ASN A CB 1 ATOM 1850 C CG . ASN A 1 235 ? 21.787 -19.470 -31.254 1.00 26.24 ? 270 ASN A CG 1 ATOM 1851 O OD1 . ASN A 1 235 ? 22.263 -20.307 -32.051 1.00 30.90 ? 270 ASN A OD1 1 ATOM 1852 N ND2 . ASN A 1 235 ? 22.250 -19.309 -29.999 1.00 25.28 ? 270 ASN A ND2 1 ATOM 1853 N N . ARG A 1 236 ? 17.920 -16.848 -31.420 1.00 18.58 ? 271 ARG A N 1 ATOM 1854 C CA . ARG A 1 236 ? 17.038 -15.802 -31.852 1.00 16.92 ? 271 ARG A CA 1 ATOM 1855 C C . ARG A 1 236 ? 16.781 -14.939 -30.672 1.00 16.22 ? 271 ARG A C 1 ATOM 1856 O O . ARG A 1 236 ? 16.833 -13.753 -30.797 1.00 15.28 ? 271 ARG A O 1 ATOM 1857 C CB . ARG A 1 236 ? 15.695 -16.383 -32.367 1.00 17.19 ? 271 ARG A CB 1 ATOM 1858 C CG . ARG A 1 236 ? 15.812 -17.097 -33.739 1.00 19.16 ? 271 ARG A CG 1 ATOM 1859 C CD . ARG A 1 236 ? 16.514 -16.173 -34.770 1.00 20.22 ? 271 ARG A CD 1 ATOM 1860 N NE . ARG A 1 236 ? 15.846 -14.858 -34.847 1.00 20.62 ? 271 ARG A NE 1 ATOM 1861 C CZ . ARG A 1 236 ? 16.393 -13.687 -35.191 1.00 25.97 ? 271 ARG A CZ 1 ATOM 1862 N NH1 . ARG A 1 236 ? 17.667 -13.590 -35.565 1.00 26.86 ? 271 ARG A NH1 1 ATOM 1863 N NH2 . ARG A 1 236 ? 15.650 -12.585 -35.171 1.00 22.09 ? 271 ARG A NH2 1 ATOM 1864 N N . LEU A 1 237 ? 16.505 -15.488 -29.484 1.00 15.51 ? 272 LEU A N 1 ATOM 1865 C CA . LEU A 1 237 ? 16.383 -14.542 -28.347 1.00 15.01 ? 272 LEU A CA 1 ATOM 1866 C C . LEU A 1 237 ? 17.629 -13.675 -28.182 1.00 15.44 ? 272 LEU A C 1 ATOM 1867 O O . LEU A 1 237 ? 17.552 -12.477 -27.890 1.00 15.30 ? 272 LEU A O 1 ATOM 1868 C CB . LEU A 1 237 ? 16.094 -15.245 -26.975 1.00 14.10 ? 272 LEU A CB 1 ATOM 1869 C CG . LEU A 1 237 ? 14.739 -15.927 -27.073 1.00 15.51 ? 272 LEU A CG 1 ATOM 1870 C CD1 . LEU A 1 237 ? 14.584 -17.076 -26.057 1.00 14.59 ? 272 LEU A CD1 1 ATOM 1871 C CD2 . LEU A 1 237 ? 13.596 -14.898 -27.010 1.00 16.40 ? 272 LEU A CD2 1 ATOM 1872 N N . GLN A 1 238 ? 18.812 -14.286 -28.254 1.00 16.57 ? 273 GLN A N 1 ATOM 1873 C CA . GLN A 1 238 ? 20.030 -13.490 -28.100 1.00 17.45 ? 273 GLN A CA 1 ATOM 1874 C C . GLN A 1 238 ? 20.098 -12.345 -29.106 1.00 16.33 ? 273 GLN A C 1 ATOM 1875 O O . GLN A 1 238 ? 20.376 -11.192 -28.750 1.00 16.33 ? 273 GLN A O 1 ATOM 1876 C CB . GLN A 1 238 ? 21.248 -14.394 -28.361 1.00 18.39 ? 273 GLN A CB 1 ATOM 1877 C CG . GLN A 1 238 ? 21.345 -15.516 -27.364 1.00 21.34 ? 273 GLN A CG 1 ATOM 1878 C CD . GLN A 1 238 ? 22.654 -16.290 -27.563 1.00 27.96 ? 273 GLN A CD 1 ATOM 1879 O OE1 . GLN A 1 238 ? 22.762 -17.153 -28.458 1.00 33.41 ? 273 GLN A OE1 1 ATOM 1880 N NE2 . GLN A 1 238 ? 23.642 -15.953 -26.765 1.00 25.94 ? 273 GLN A NE2 1 ATOM 1881 N N . ALA A 1 239 ? 19.845 -12.700 -30.360 1.00 16.80 ? 274 ALA A N 1 ATOM 1882 C CA . ALA A 1 239 ? 19.880 -11.740 -31.483 1.00 17.07 ? 274 ALA A CA 1 ATOM 1883 C C . ALA A 1 239 ? 18.881 -10.606 -31.225 1.00 16.86 ? 274 ALA A C 1 ATOM 1884 O O . ALA A 1 239 ? 19.177 -9.426 -31.375 1.00 17.13 ? 274 ALA A O 1 ATOM 1885 C CB . ALA A 1 239 ? 19.529 -12.499 -32.803 1.00 17.26 ? 274 ALA A CB 1 ATOM 1886 N N . ILE A 1 240 ? 17.672 -10.995 -30.767 1.00 17.54 ? 275 ILE A N 1 ATOM 1887 C CA . ILE A 1 240 ? 16.644 -10.013 -30.454 1.00 15.98 ? 275 ILE A CA 1 ATOM 1888 C C . ILE A 1 240 ? 17.066 -9.083 -29.314 1.00 17.75 ? 275 ILE A C 1 ATOM 1889 O O . ILE A 1 240 ? 16.871 -7.891 -29.377 1.00 17.94 ? 275 ILE A O 1 ATOM 1890 C CB . ILE A 1 240 ? 15.293 -10.721 -30.197 1.00 16.28 ? 275 ILE A CB 1 ATOM 1891 C CG1 . ILE A 1 240 ? 14.739 -11.318 -31.497 1.00 14.87 ? 275 ILE A CG1 1 ATOM 1892 C CG2 . ILE A 1 240 ? 14.241 -9.733 -29.630 1.00 16.61 ? 275 ILE A CG2 1 ATOM 1893 C CD1 . ILE A 1 240 ? 13.698 -12.506 -31.363 1.00 11.89 ? 275 ILE A CD1 1 ATOM 1894 N N . GLU A 1 241 ? 17.549 -9.643 -28.218 1.00 15.75 ? 276 GLU A N 1 ATOM 1895 C CA . GLU A 1 241 ? 18.060 -8.849 -27.116 1.00 15.17 ? 276 GLU A CA 1 ATOM 1896 C C . GLU A 1 241 ? 19.103 -7.851 -27.605 1.00 15.12 ? 276 GLU A C 1 ATOM 1897 O O . GLU A 1 241 ? 19.088 -6.683 -27.272 1.00 15.18 ? 276 GLU A O 1 ATOM 1898 C CB . GLU A 1 241 ? 18.741 -9.796 -26.089 1.00 14.27 ? 276 GLU A CB 1 ATOM 1899 C CG . GLU A 1 241 ? 19.427 -8.983 -24.941 1.00 14.48 ? 276 GLU A CG 1 ATOM 1900 C CD . GLU A 1 241 ? 19.980 -9.853 -23.871 1.00 9.71 ? 276 GLU A CD 1 ATOM 1901 O OE1 . GLU A 1 241 ? 20.044 -11.067 -24.080 1.00 17.18 ? 276 GLU A OE1 1 ATOM 1902 O OE2 . GLU A 1 241 ? 20.316 -9.308 -22.819 1.00 16.15 ? 276 GLU A OE2 1 ATOM 1903 N N . LYS A 1 242 ? 19.941 -8.345 -28.483 1.00 16.85 ? 277 LYS A N 1 ATOM 1904 C CA . LYS A 1 242 ? 21.060 -7.554 -28.992 1.00 17.64 ? 277 LYS A CA 1 ATOM 1905 C C . LYS A 1 242 ? 20.544 -6.391 -29.876 1.00 17.38 ? 277 LYS A C 1 ATOM 1906 O O . LYS A 1 242 ? 20.872 -5.220 -29.610 1.00 18.05 ? 277 LYS A O 1 ATOM 1907 C CB . LYS A 1 242 ? 22.029 -8.488 -29.702 1.00 17.82 ? 277 LYS A CB 1 ATOM 1908 C CG . LYS A 1 242 ? 23.154 -7.664 -30.308 1.00 24.46 ? 277 LYS A CG 1 ATOM 1909 C CD . LYS A 1 242 ? 24.336 -8.485 -30.773 1.00 30.29 ? 277 LYS A CD 1 ATOM 1910 C CE . LYS A 1 242 ? 25.274 -7.530 -31.460 1.00 35.48 ? 277 LYS A CE 1 ATOM 1911 N NZ . LYS A 1 242 ? 24.865 -7.428 -32.909 1.00 38.49 ? 277 LYS A NZ 1 ATOM 1912 N N . GLU A 1 243 ? 19.684 -6.702 -30.838 1.00 17.67 ? 278 GLU A N 1 ATOM 1913 C CA . GLU A 1 243 ? 19.200 -5.710 -31.796 1.00 19.30 ? 278 GLU A CA 1 ATOM 1914 C C . GLU A 1 243 ? 18.272 -4.770 -31.051 1.00 20.20 ? 278 GLU A C 1 ATOM 1915 O O . GLU A 1 243 ? 18.328 -3.558 -31.206 1.00 18.66 ? 278 GLU A O 1 ATOM 1916 C CB . GLU A 1 243 ? 18.551 -6.416 -32.988 1.00 20.22 ? 278 GLU A CB 1 ATOM 1917 C CG . GLU A 1 243 ? 17.226 -6.988 -32.693 1.00 18.90 ? 278 GLU A CG 1 ATOM 1918 C CD . GLU A 1 243 ? 16.710 -7.870 -33.782 1.00 27.36 ? 278 GLU A CD 1 ATOM 1919 O OE1 . GLU A 1 243 ? 17.458 -8.145 -34.741 1.00 30.16 ? 278 GLU A OE1 1 ATOM 1920 O OE2 . GLU A 1 243 ? 15.533 -8.301 -33.680 1.00 29.97 ? 278 GLU A OE2 1 ATOM 1921 N N . LEU A 1 244 ? 17.456 -5.296 -30.103 1.00 19.46 ? 279 LEU A N 1 ATOM 1922 C CA . LEU A 1 244 ? 16.672 -4.358 -29.405 1.00 18.57 ? 279 LEU A CA 1 ATOM 1923 C C . LEU A 1 244 ? 17.594 -3.468 -28.636 1.00 19.25 ? 279 LEU A C 1 ATOM 1924 O O . LEU A 1 244 ? 17.393 -2.236 -28.562 1.00 20.38 ? 279 LEU A O 1 ATOM 1925 C CB . LEU A 1 244 ? 15.651 -5.034 -28.453 1.00 19.01 ? 279 LEU A CB 1 ATOM 1926 C CG . LEU A 1 244 ? 14.571 -5.753 -29.235 1.00 17.99 ? 279 LEU A CG 1 ATOM 1927 C CD1 . LEU A 1 244 ? 13.650 -6.483 -28.233 1.00 19.28 ? 279 LEU A CD1 1 ATOM 1928 C CD2 . LEU A 1 244 ? 13.741 -4.857 -30.123 1.00 22.69 ? 279 LEU A CD2 1 ATOM 1929 N N . TYR A 1 245 ? 18.639 -4.058 -28.065 1.00 18.48 ? 280 TYR A N 1 ATOM 1930 C CA . TYR A 1 245 ? 19.526 -3.233 -27.243 1.00 18.84 ? 280 TYR A CA 1 ATOM 1931 C C . TYR A 1 245 ? 20.062 -2.142 -28.163 1.00 19.84 ? 280 TYR A C 1 ATOM 1932 O O . TYR A 1 245 ? 20.081 -0.975 -27.794 1.00 21.10 ? 280 TYR A O 1 ATOM 1933 C CB . TYR A 1 245 ? 20.735 -4.014 -26.729 1.00 18.17 ? 280 TYR A CB 1 ATOM 1934 C CG . TYR A 1 245 ? 21.712 -3.063 -26.093 1.00 20.28 ? 280 TYR A CG 1 ATOM 1935 C CD1 . TYR A 1 245 ? 21.331 -2.335 -24.989 1.00 21.23 ? 280 TYR A CD1 1 ATOM 1936 C CD2 . TYR A 1 245 ? 22.952 -2.803 -26.687 1.00 26.26 ? 280 TYR A CD2 1 ATOM 1937 C CE1 . TYR A 1 245 ? 22.164 -1.405 -24.439 1.00 24.82 ? 280 TYR A CE1 1 ATOM 1938 C CE2 . TYR A 1 245 ? 23.808 -1.856 -26.146 1.00 24.42 ? 280 TYR A CE2 1 ATOM 1939 C CZ . TYR A 1 245 ? 23.410 -1.193 -25.025 1.00 25.41 ? 280 TYR A CZ 1 ATOM 1940 O OH . TYR A 1 245 ? 24.211 -0.259 -24.441 1.00 25.84 ? 280 TYR A OH 1 ATOM 1941 N N . GLU A 1 246 ? 20.483 -2.549 -29.357 1.00 21.25 ? 281 GLU A N 1 ATOM 1942 C CA . GLU A 1 246 ? 21.247 -1.620 -30.208 1.00 23.98 ? 281 GLU A CA 1 ATOM 1943 C C . GLU A 1 246 ? 20.359 -0.523 -30.739 1.00 24.77 ? 281 GLU A C 1 ATOM 1944 O O . GLU A 1 246 ? 20.842 0.565 -31.036 1.00 24.43 ? 281 GLU A O 1 ATOM 1945 C CB . GLU A 1 246 ? 21.877 -2.289 -31.365 1.00 24.90 ? 281 GLU A CB 1 ATOM 1946 C CG . GLU A 1 246 ? 22.813 -3.446 -31.016 1.00 28.15 ? 281 GLU A CG 1 ATOM 1947 C CD . GLU A 1 246 ? 23.086 -4.288 -32.263 1.00 36.80 ? 281 GLU A CD 1 ATOM 1948 O OE1 . GLU A 1 246 ? 22.167 -4.489 -33.141 1.00 40.24 ? 281 GLU A OE1 1 ATOM 1949 O OE2 . GLU A 1 246 ? 24.229 -4.750 -32.383 1.00 37.21 ? 281 GLU A OE2 1 ATOM 1950 N N . LEU A 1 247 ? 19.062 -0.791 -30.814 1.00 24.35 ? 282 LEU A N 1 ATOM 1951 C CA . LEU A 1 247 ? 18.133 0.214 -31.306 1.00 25.29 ? 282 LEU A CA 1 ATOM 1952 C C . LEU A 1 247 ? 17.678 1.141 -30.179 1.00 23.43 ? 282 LEU A C 1 ATOM 1953 O O . LEU A 1 247 ? 16.847 2.052 -30.391 1.00 24.06 ? 282 LEU A O 1 ATOM 1954 C CB . LEU A 1 247 ? 16.991 -0.461 -32.061 1.00 25.38 ? 282 LEU A CB 1 ATOM 1955 C CG . LEU A 1 247 ? 17.215 -1.295 -33.331 1.00 28.02 ? 282 LEU A CG 1 ATOM 1956 C CD1 . LEU A 1 247 ? 18.384 -2.307 -33.290 1.00 34.77 ? 282 LEU A CD1 1 ATOM 1957 C CD2 . LEU A 1 247 ? 15.969 -2.065 -33.651 1.00 30.52 ? 282 LEU A CD2 1 ATOM 1958 N N . GLY A 1 248 ? 18.216 0.932 -28.979 1.00 22.18 ? 283 GLY A N 1 ATOM 1959 C CA . GLY A 1 248 ? 17.918 1.790 -27.818 1.00 22.12 ? 283 GLY A CA 1 ATOM 1960 C C . GLY A 1 248 ? 16.451 1.543 -27.409 1.00 22.20 ? 283 GLY A C 1 ATOM 1961 O O . GLY A 1 248 ? 15.771 2.440 -26.929 1.00 23.10 ? 283 GLY A O 1 ATOM 1962 N N . LEU A 1 249 ? 16.003 0.316 -27.595 1.00 21.83 ? 284 LEU A N 1 ATOM 1963 C CA . LEU A 1 249 ? 14.633 -0.080 -27.293 1.00 19.92 ? 284 LEU A CA 1 ATOM 1964 C C . LEU A 1 249 ? 14.508 -0.925 -26.025 1.00 20.88 ? 284 LEU A C 1 ATOM 1965 O O . LEU A 1 249 ? 13.416 -1.361 -25.713 1.00 20.89 ? 284 LEU A O 1 ATOM 1966 C CB . LEU A 1 249 ? 14.034 -0.834 -28.462 1.00 19.95 ? 284 LEU A CB 1 ATOM 1967 C CG . LEU A 1 249 ? 14.043 0.001 -29.716 1.00 17.92 ? 284 LEU A CG 1 ATOM 1968 C CD1 . LEU A 1 249 ? 13.630 -0.835 -30.871 1.00 19.85 ? 284 LEU A CD1 1 ATOM 1969 C CD2 . LEU A 1 249 ? 13.091 1.144 -29.526 1.00 21.93 ? 284 LEU A CD2 1 ATOM 1970 N N . LEU A 1 250 ? 15.603 -1.160 -25.317 1.00 19.84 ? 285 LEU A N 1 ATOM 1971 C CA . LEU A 1 250 ? 15.520 -1.782 -24.028 1.00 18.82 ? 285 LEU A CA 1 ATOM 1972 C C . LEU A 1 250 ? 15.789 -0.719 -23.007 1.00 21.43 ? 285 LEU A C 1 ATOM 1973 O O . LEU A 1 250 ? 16.212 0.403 -23.350 1.00 21.96 ? 285 LEU A O 1 ATOM 1974 C CB . LEU A 1 250 ? 16.536 -2.880 -23.906 1.00 19.13 ? 285 LEU A CB 1 ATOM 1975 C CG . LEU A 1 250 ? 16.451 -3.962 -24.934 1.00 16.96 ? 285 LEU A CG 1 ATOM 1976 C CD1 . LEU A 1 250 ? 17.384 -5.075 -24.500 1.00 18.01 ? 285 LEU A CD1 1 ATOM 1977 C CD2 . LEU A 1 250 ? 14.997 -4.447 -24.964 1.00 18.26 ? 285 LEU A CD2 1 ATOM 1978 N N . LYS A 1 251 ? 15.560 -1.035 -21.748 1.00 19.55 ? 286 LYS A N 1 ATOM 1979 C CA . LYS A 1 251 ? 15.773 -0.065 -20.754 1.00 21.11 ? 286 LYS A CA 1 ATOM 1980 C C . LYS A 1 251 ? 16.608 -0.642 -19.636 1.00 22.23 ? 286 LYS A C 1 ATOM 1981 O O . LYS A 1 251 ? 16.480 -1.797 -19.246 1.00 21.41 ? 286 LYS A O 1 ATOM 1982 C CB . LYS A 1 251 ? 14.470 0.578 -20.222 1.00 19.95 ? 286 LYS A CB 1 ATOM 1983 C CG . LYS A 1 251 ? 13.593 1.296 -21.221 1.00 23.25 ? 286 LYS A CG 1 ATOM 1984 C CD . LYS A 1 251 ? 12.281 1.795 -20.427 1.00 28.81 ? 286 LYS A CD 1 ATOM 1985 C CE . LYS A 1 251 ? 11.296 2.722 -21.161 1.00 30.71 ? 286 LYS A CE 1 ATOM 1986 N NZ . LYS A 1 251 ? 11.401 2.759 -22.643 1.00 30.67 ? 286 LYS A NZ 1 ATOM 1987 N N . ASP A 1 252 ? 17.468 0.215 -19.095 1.00 22.37 ? 287 ASP A N 1 ATOM 1988 C CA . ASP A 1 252 ? 18.345 -0.149 -18.006 1.00 23.75 ? 287 ASP A CA 1 ATOM 1989 C C . ASP A 1 252 ? 19.039 -1.462 -18.192 1.00 22.57 ? 287 ASP A C 1 ATOM 1990 O O . ASP A 1 252 ? 19.175 -2.246 -17.274 1.00 21.81 ? 287 ASP A O 1 ATOM 1991 C CB . ASP A 1 252 ? 17.610 -0.070 -16.698 1.00 25.15 ? 287 ASP A CB 1 ATOM 1992 C CG . ASP A 1 252 ? 17.255 1.352 -16.363 1.00 32.18 ? 287 ASP A CG 1 ATOM 1993 O OD1 . ASP A 1 252 ? 18.150 2.236 -16.530 1.00 41.39 ? 287 ASP A OD1 1 ATOM 1994 O OD2 . ASP A 1 252 ? 16.097 1.603 -15.986 1.00 37.29 ? 287 ASP A OD2 1 ATOM 1995 N N . HIS A 1 253 ? 19.520 -1.683 -19.391 1.00 22.69 ? 288 HIS A N 1 ATOM 1996 C CA . HIS A 1 253 ? 20.095 -2.962 -19.701 1.00 22.36 ? 288 HIS A CA 1 ATOM 1997 C C . HIS A 1 253 ? 21.094 -2.853 -20.819 1.00 22.66 ? 288 HIS A C 1 ATOM 1998 O O . HIS A 1 253 ? 20.735 -2.560 -21.981 1.00 22.75 ? 288 HIS A O 1 ATOM 1999 C CB . HIS A 1 253 ? 18.998 -3.943 -20.123 1.00 21.10 ? 288 HIS A CB 1 ATOM 2000 C CG . HIS A 1 253 ? 19.520 -5.324 -20.334 1.00 20.72 ? 288 HIS A CG 1 ATOM 2001 N ND1 . HIS A 1 253 ? 19.547 -5.925 -21.572 1.00 20.81 ? 288 HIS A ND1 1 ATOM 2002 C CD2 . HIS A 1 253 ? 20.129 -6.181 -19.479 1.00 17.80 ? 288 HIS A CD2 1 ATOM 2003 C CE1 . HIS A 1 253 ? 20.125 -7.112 -21.467 1.00 14.73 ? 288 HIS A CE1 1 ATOM 2004 N NE2 . HIS A 1 253 ? 20.456 -7.298 -20.196 1.00 22.04 ? 288 HIS A NE2 1 ATOM 2005 N N . SER A 1 254 ? 22.342 -3.171 -20.491 1.00 22.77 ? 289 SER A N 1 ATOM 2006 C CA . SER A 1 254 ? 23.363 -3.274 -21.510 1.00 23.17 ? 289 SER A CA 1 ATOM 2007 C C . SER A 1 254 ? 23.575 -4.758 -21.835 1.00 23.55 ? 289 SER A C 1 ATOM 2008 O O . SER A 1 254 ? 22.989 -5.658 -21.184 1.00 24.08 ? 289 SER A O 1 ATOM 2009 C CB . SER A 1 254 ? 24.666 -2.683 -20.978 1.00 22.80 ? 289 SER A CB 1 ATOM 2010 O OG . SER A 1 254 ? 25.188 -3.570 -20.009 1.00 25.66 ? 289 SER A OG 1 ATOM 2011 N N . LEU A 1 255 ? 24.427 -5.028 -22.824 1.00 22.87 ? 290 LEU A N 1 ATOM 2012 C CA . LEU A 1 255 ? 24.762 -6.392 -23.114 1.00 21.68 ? 290 LEU A CA 1 ATOM 2013 C C . LEU A 1 255 ? 25.958 -6.846 -22.267 1.00 22.10 ? 290 LEU A C 1 ATOM 2014 O O . LEU A 1 255 ? 26.588 -7.842 -22.600 1.00 22.22 ? 290 LEU A O 1 ATOM 2015 C CB . LEU A 1 255 ? 25.021 -6.570 -24.602 1.00 21.53 ? 290 LEU A CB 1 ATOM 2016 C CG . LEU A 1 255 ? 23.781 -6.066 -25.396 1.00 24.04 ? 290 LEU A CG 1 ATOM 2017 C CD1 . LEU A 1 255 ? 23.939 -6.188 -26.896 1.00 26.05 ? 290 LEU A CD1 1 ATOM 2018 C CD2 . LEU A 1 255 ? 22.524 -6.778 -24.936 1.00 20.91 ? 290 LEU A CD2 1 ATOM 2019 N N . GLU A 1 256 ? 26.264 -6.115 -21.212 1.00 21.66 ? 291 GLU A N 1 ATOM 2020 C CA . GLU A 1 256 ? 27.399 -6.452 -20.349 1.00 22.57 ? 291 GLU A CA 1 ATOM 2021 C C . GLU A 1 256 ? 27.117 -7.814 -19.711 1.00 24.12 ? 291 GLU A C 1 ATOM 2022 O O . GLU A 1 256 ? 28.006 -8.644 -19.528 1.00 24.78 ? 291 GLU A O 1 ATOM 2023 C CB . GLU A 1 256 ? 27.578 -5.398 -19.262 1.00 23.44 ? 291 GLU A CB 1 ATOM 2024 C CG . GLU A 1 256 ? 28.407 -4.199 -19.797 1.00 22.20 ? 291 GLU A CG 1 ATOM 2025 C CD . GLU A 1 256 ? 29.730 -4.715 -20.415 1.00 29.79 ? 291 GLU A CD 1 ATOM 2026 O OE1 . GLU A 1 256 ? 30.425 -5.523 -19.761 1.00 33.51 ? 291 GLU A OE1 1 ATOM 2027 O OE2 . GLU A 1 256 ? 30.040 -4.383 -21.556 1.00 27.64 ? 291 GLU A OE2 1 ATOM 2028 N N . ARG A 1 257 ? 25.849 -7.998 -19.380 1.00 24.55 ? 292 ARG A N 1 ATOM 2029 C CA . ARG A 1 257 ? 25.335 -9.242 -18.830 1.00 24.68 ? 292 ARG A CA 1 ATOM 2030 C C . ARG A 1 257 ? 24.052 -9.606 -19.561 1.00 23.60 ? 292 ARG A C 1 ATOM 2031 O O . ARG A 1 257 ? 22.966 -9.397 -19.036 1.00 23.72 ? 292 ARG A O 1 ATOM 2032 C CB . ARG A 1 257 ? 25.069 -9.087 -17.339 1.00 27.03 ? 292 ARG A CB 1 ATOM 2033 C CG . ARG A 1 257 ? 26.323 -8.684 -16.517 1.00 30.41 ? 292 ARG A CG 1 ATOM 2034 C CD . ARG A 1 257 ? 25.948 -8.476 -15.047 1.00 40.68 ? 292 ARG A CD 1 ATOM 2035 N NE . ARG A 1 257 ? 25.200 -7.231 -14.754 1.00 44.87 ? 292 ARG A NE 1 ATOM 2036 C CZ . ARG A 1 257 ? 24.659 -6.950 -13.554 1.00 46.84 ? 292 ARG A CZ 1 ATOM 2037 N NH1 . ARG A 1 257 ? 24.760 -7.811 -12.537 1.00 42.50 ? 292 ARG A NH1 1 ATOM 2038 N NH2 . ARG A 1 257 ? 24.010 -5.805 -13.354 1.00 48.55 ? 292 ARG A NH2 1 ATOM 2039 N N . LYS A 1 258 ? 24.202 -10.141 -20.761 1.00 21.25 ? 293 LYS A N 1 ATOM 2040 C CA . LYS A 1 258 ? 23.092 -10.428 -21.626 1.00 22.49 ? 293 LYS A CA 1 ATOM 2041 C C . LYS A 1 258 ? 22.118 -11.325 -20.846 1.00 22.18 ? 293 LYS A C 1 ATOM 2042 O O . LYS A 1 258 ? 22.539 -12.147 -20.042 1.00 20.69 ? 293 LYS A O 1 ATOM 2043 C CB . LYS A 1 258 ? 23.597 -11.176 -22.877 1.00 22.25 ? 293 LYS A CB 1 ATOM 2044 C CG . LYS A 1 258 ? 24.294 -10.310 -23.946 1.00 24.09 ? 293 LYS A CG 1 ATOM 2045 C CD . LYS A 1 258 ? 24.803 -11.241 -25.100 1.00 26.78 ? 293 LYS A CD 1 ATOM 2046 C CE . LYS A 1 258 ? 26.188 -11.830 -24.762 1.00 28.16 ? 293 LYS A CE 1 ATOM 2047 N NZ . LYS A 1 258 ? 26.908 -12.391 -25.971 1.00 34.81 ? 293 LYS A NZ 1 ATOM 2048 N N . TYR A 1 259 ? 20.817 -11.144 -21.051 1.00 19.13 ? 294 TYR A N 1 ATOM 2049 C CA . TYR A 1 259 ? 19.888 -12.087 -20.471 1.00 19.92 ? 294 TYR A CA 1 ATOM 2050 C C . TYR A 1 259 ? 20.124 -13.443 -21.026 1.00 19.95 ? 294 TYR A C 1 ATOM 2051 O O . TYR A 1 259 ? 20.025 -14.417 -20.292 1.00 21.18 ? 294 TYR A O 1 ATOM 2052 C CB . TYR A 1 259 ? 18.462 -11.715 -20.889 1.00 20.06 ? 294 TYR A CB 1 ATOM 2053 C CG . TYR A 1 259 ? 18.082 -10.408 -20.366 1.00 14.43 ? 294 TYR A CG 1 ATOM 2054 C CD1 . TYR A 1 259 ? 18.363 -10.080 -19.070 1.00 17.89 ? 294 TYR A CD1 1 ATOM 2055 C CD2 . TYR A 1 259 ? 17.343 -9.512 -21.139 1.00 17.07 ? 294 TYR A CD2 1 ATOM 2056 C CE1 . TYR A 1 259 ? 18.003 -8.910 -18.562 1.00 18.94 ? 294 TYR A CE1 1 ATOM 2057 C CE2 . TYR A 1 259 ? 16.919 -8.312 -20.598 1.00 20.97 ? 294 TYR A CE2 1 ATOM 2058 C CZ . TYR A 1 259 ? 17.261 -8.019 -19.328 1.00 21.04 ? 294 TYR A CZ 1 ATOM 2059 O OH . TYR A 1 259 ? 16.915 -6.818 -18.786 1.00 21.96 ? 294 TYR A OH 1 ATOM 2060 N N . PHE A 1 260 ? 20.372 -13.509 -22.331 1.00 19.49 ? 295 PHE A N 1 ATOM 2061 C CA . PHE A 1 260 ? 20.530 -14.749 -23.013 1.00 21.73 ? 295 PHE A CA 1 ATOM 2062 C C . PHE A 1 260 ? 21.992 -15.018 -23.288 1.00 23.46 ? 295 PHE A C 1 ATOM 2063 O O . PHE A 1 260 ? 22.542 -14.635 -24.307 1.00 22.81 ? 295 PHE A O 1 ATOM 2064 C CB . PHE A 1 260 ? 19.679 -14.824 -24.250 1.00 20.46 ? 295 PHE A CB 1 ATOM 2065 C CG . PHE A 1 260 ? 18.258 -14.617 -23.916 1.00 18.65 ? 295 PHE A CG 1 ATOM 2066 C CD1 . PHE A 1 260 ? 17.556 -15.636 -23.334 1.00 17.72 ? 295 PHE A CD1 1 ATOM 2067 C CD2 . PHE A 1 260 ? 17.672 -13.367 -24.068 1.00 19.03 ? 295 PHE A CD2 1 ATOM 2068 C CE1 . PHE A 1 260 ? 16.249 -15.450 -22.920 1.00 18.77 ? 295 PHE A CE1 1 ATOM 2069 C CE2 . PHE A 1 260 ? 16.341 -13.168 -23.678 1.00 17.20 ? 295 PHE A CE2 1 ATOM 2070 C CZ . PHE A 1 260 ? 15.657 -14.241 -23.123 1.00 17.96 ? 295 PHE A CZ 1 ATOM 2071 N N . GLN A 1 261 ? 22.517 -15.753 -22.328 1.00 26.75 ? 296 GLN A N 1 ATOM 2072 C CA . GLN A 1 261 ? 23.903 -16.130 -22.235 1.00 30.37 ? 296 GLN A CA 1 ATOM 2073 C C . GLN A 1 261 ? 23.855 -17.609 -22.394 1.00 31.09 ? 296 GLN A C 1 ATOM 2074 O O . GLN A 1 261 ? 23.146 -18.332 -21.646 1.00 31.37 ? 296 GLN A O 1 ATOM 2075 C CB . GLN A 1 261 ? 24.469 -15.801 -20.854 1.00 30.36 ? 296 GLN A CB 1 ATOM 2076 C CG . GLN A 1 261 ? 24.675 -14.320 -20.581 1.00 32.37 ? 296 GLN A CG 1 ATOM 2077 C CD . GLN A 1 261 ? 25.992 -13.741 -21.137 1.00 36.35 ? 296 GLN A CD 1 ATOM 2078 O OE1 . GLN A 1 261 ? 26.266 -13.806 -22.336 1.00 35.25 ? 296 GLN A OE1 1 ATOM 2079 N NE2 . GLN A 1 261 ? 26.784 -13.127 -20.251 1.00 38.91 ? 296 GLN A NE2 1 ATOM 2080 N N . ASN A 1 262 ? 24.557 -18.039 -23.422 1.00 31.80 ? 297 ASN A N 1 ATOM 2081 C CA . ASN A 1 262 ? 24.767 -19.434 -23.645 1.00 33.40 ? 297 ASN A CA 1 ATOM 2082 C C . ASN A 1 262 ? 26.172 -19.802 -23.147 1.00 34.12 ? 297 ASN A C 1 ATOM 2083 O O . ASN A 1 262 ? 27.145 -19.547 -23.848 1.00 32.89 ? 297 ASN A O 1 ATOM 2084 C CB . ASN A 1 262 ? 24.664 -19.704 -25.140 1.00 32.72 ? 297 ASN A CB 1 ATOM 2085 C CG . ASN A 1 262 ? 24.780 -21.155 -25.457 1.00 34.07 ? 297 ASN A CG 1 ATOM 2086 O OD1 . ASN A 1 262 ? 25.432 -21.942 -24.718 1.00 37.75 ? 297 ASN A OD1 1 ATOM 2087 N ND2 . ASN A 1 262 ? 24.167 -21.545 -26.531 1.00 35.92 ? 297 ASN A ND2 1 ATOM 2088 N N . PHE A 1 263 ? 26.262 -20.382 -21.939 1.00 36.01 ? 298 PHE A N 1 ATOM 2089 C CA . PHE A 1 263 ? 27.507 -20.934 -21.467 1.00 36.81 ? 298 PHE A CA 1 ATOM 2090 C C . PHE A 1 263 ? 27.469 -22.459 -21.600 1.00 36.58 ? 298 PHE A C 1 ATOM 2091 O O . PHE A 1 263 ? 27.939 -23.228 -20.711 1.00 36.17 ? 298 PHE A O 1 ATOM 2092 C CB . PHE A 1 263 ? 27.882 -20.566 -20.034 1.00 39.14 ? 298 PHE A CB 1 ATOM 2093 C CG . PHE A 1 263 ? 27.126 -19.417 -19.421 1.00 43.60 ? 298 PHE A CG 1 ATOM 2094 C CD1 . PHE A 1 263 ? 25.780 -19.578 -19.010 1.00 48.96 ? 298 PHE A CD1 1 ATOM 2095 C CD2 . PHE A 1 263 ? 27.783 -18.227 -19.134 1.00 45.47 ? 298 PHE A CD2 1 ATOM 2096 C CE1 . PHE A 1 263 ? 25.076 -18.526 -18.372 1.00 49.60 ? 298 PHE A CE1 1 ATOM 2097 C CE2 . PHE A 1 263 ? 27.114 -17.166 -18.516 1.00 49.77 ? 298 PHE A CE2 1 ATOM 2098 C CZ . PHE A 1 263 ? 25.746 -17.312 -18.127 1.00 51.48 ? 298 PHE A CZ 1 ATOM 2099 N N . GLY A 1 264 ? 26.974 -22.899 -22.746 1.00 35.63 ? 299 GLY A N 1 ATOM 2100 C CA . GLY A 1 264 ? 26.878 -24.316 -23.016 1.00 34.92 ? 299 GLY A CA 1 ATOM 2101 C C . GLY A 1 264 ? 25.538 -24.848 -22.580 1.00 34.49 ? 299 GLY A C 1 ATOM 2102 O O . GLY A 1 264 ? 24.837 -24.237 -21.762 1.00 34.47 ? 299 GLY A O 1 ATOM 2103 N N . TYR A 1 265 ? 25.175 -26.008 -23.104 1.00 34.14 ? 300 TYR A N 1 ATOM 2104 C CA . TYR A 1 265 ? 23.936 -26.608 -22.717 1.00 33.48 ? 300 TYR A CA 1 ATOM 2105 C C . TYR A 1 265 ? 23.846 -26.700 -21.202 1.00 32.92 ? 300 TYR A C 1 ATOM 2106 O O . TYR A 1 265 ? 24.604 -27.445 -20.575 1.00 32.25 ? 300 TYR A O 1 ATOM 2107 C CB . TYR A 1 265 ? 23.708 -27.921 -23.463 1.00 34.03 ? 300 TYR A CB 1 ATOM 2108 C CG . TYR A 1 265 ? 23.589 -27.623 -24.930 1.00 35.19 ? 300 TYR A CG 1 ATOM 2109 C CD1 . TYR A 1 265 ? 22.613 -26.758 -25.380 1.00 35.65 ? 300 TYR A CD1 1 ATOM 2110 C CD2 . TYR A 1 265 ? 24.491 -28.147 -25.859 1.00 37.95 ? 300 TYR A CD2 1 ATOM 2111 C CE1 . TYR A 1 265 ? 22.518 -26.431 -26.693 1.00 41.52 ? 300 TYR A CE1 1 ATOM 2112 C CE2 . TYR A 1 265 ? 24.391 -27.836 -27.207 1.00 39.75 ? 300 TYR A CE2 1 ATOM 2113 C CZ . TYR A 1 265 ? 23.411 -26.983 -27.618 1.00 42.48 ? 300 TYR A CZ 1 ATOM 2114 O OH . TYR A 1 265 ? 23.292 -26.644 -28.962 1.00 48.18 ? 300 TYR A OH 1 ATOM 2115 N N . GLY A 1 266 ? 22.949 -25.852 -20.640 1.00 31.70 ? 301 GLY A N 1 ATOM 2116 C CA . GLY A 1 266 ? 22.505 -25.913 -19.251 1.00 28.59 ? 301 GLY A CA 1 ATOM 2117 C C . GLY A 1 266 ? 22.086 -27.319 -18.792 1.00 26.88 ? 301 GLY A C 1 ATOM 2118 O O . GLY A 1 266 ? 21.596 -28.097 -19.542 1.00 28.34 ? 301 GLY A O 1 ATOM 2119 N N . ASN A 1 267 ? 22.376 -27.655 -17.560 1.00 26.22 ? 302 ASN A N 1 ATOM 2120 C CA . ASN A 1 267 ? 21.886 -28.845 -16.936 1.00 23.35 ? 302 ASN A CA 1 ATOM 2121 C C . ASN A 1 267 ? 20.412 -28.589 -16.679 1.00 21.52 ? 302 ASN A C 1 ATOM 2122 O O . ASN A 1 267 ? 20.025 -27.581 -16.079 1.00 19.98 ? 302 ASN A O 1 ATOM 2123 C CB . ASN A 1 267 ? 22.559 -29.003 -15.625 1.00 24.15 ? 302 ASN A CB 1 ATOM 2124 C CG . ASN A 1 267 ? 23.982 -29.515 -15.765 1.00 28.27 ? 302 ASN A CG 1 ATOM 2125 O OD1 . ASN A 1 267 ? 24.278 -30.347 -16.631 1.00 32.91 ? 302 ASN A OD1 1 ATOM 2126 N ND2 . ASN A 1 267 ? 24.863 -29.021 -14.911 1.00 32.45 ? 302 ASN A ND2 1 ATOM 2127 N N . ILE A 1 268 ? 19.596 -29.505 -17.175 1.00 19.98 ? 303 ILE A N 1 ATOM 2128 C CA . ILE A 1 268 ? 18.144 -29.367 -17.169 1.00 18.80 ? 303 ILE A CA 1 ATOM 2129 C C . ILE A 1 268 ? 17.633 -29.093 -15.795 1.00 17.42 ? 303 ILE A C 1 ATOM 2130 O O . ILE A 1 268 ? 18.130 -29.719 -14.831 1.00 15.02 ? 303 ILE A O 1 ATOM 2131 C CB . ILE A 1 268 ? 17.498 -30.655 -17.689 1.00 18.80 ? 303 ILE A CB 1 ATOM 2132 C CG1 . ILE A 1 268 ? 15.990 -30.464 -17.844 1.00 22.90 ? 303 ILE A CG1 1 ATOM 2133 C CG2 . ILE A 1 268 ? 17.750 -31.855 -16.743 1.00 23.78 ? 303 ILE A CG2 1 ATOM 2134 C CD1 . ILE A 1 268 ? 15.380 -31.469 -18.832 1.00 26.35 ? 303 ILE A CD1 1 ATOM 2135 N N . ILE A 1 269 ? 16.642 -28.180 -15.678 1.00 15.04 ? 304 ILE A N 1 ATOM 2136 C CA . ILE A 1 269 ? 16.012 -27.871 -14.412 1.00 13.23 ? 304 ILE A CA 1 ATOM 2137 C C . ILE A 1 269 ? 14.581 -28.398 -14.530 1.00 12.47 ? 304 ILE A C 1 ATOM 2138 O O . ILE A 1 269 ? 13.942 -28.098 -15.518 1.00 13.88 ? 304 ILE A O 1 ATOM 2139 C CB . ILE A 1 269 ? 15.959 -26.390 -14.169 1.00 13.46 ? 304 ILE A CB 1 ATOM 2140 C CG1 . ILE A 1 269 ? 17.418 -25.831 -14.104 1.00 13.70 ? 304 ILE A CG1 1 ATOM 2141 C CG2 . ILE A 1 269 ? 15.196 -26.195 -12.837 1.00 14.93 ? 304 ILE A CG2 1 ATOM 2142 C CD1 . ILE A 1 269 ? 17.561 -24.333 -14.065 1.00 10.40 ? 304 ILE A CD1 1 ATOM 2143 N N . GLN A 1 270 ? 14.119 -29.218 -13.607 1.00 11.63 ? 305 GLN A N 1 ATOM 2144 C CA . GLN A 1 270 ? 12.752 -29.748 -13.711 1.00 13.46 ? 305 GLN A CA 1 ATOM 2145 C C . GLN A 1 270 ? 11.759 -28.609 -13.614 1.00 10.43 ? 305 GLN A C 1 ATOM 2146 O O . GLN A 1 270 ? 11.932 -27.641 -12.853 1.00 12.93 ? 305 GLN A O 1 ATOM 2147 C CB . GLN A 1 270 ? 12.444 -30.732 -12.557 1.00 14.00 ? 305 GLN A CB 1 ATOM 2148 C CG . GLN A 1 270 ? 13.347 -31.980 -12.564 1.00 17.83 ? 305 GLN A CG 1 ATOM 2149 C CD . GLN A 1 270 ? 13.318 -32.779 -13.861 1.00 23.12 ? 305 GLN A CD 1 ATOM 2150 O OE1 . GLN A 1 270 ? 12.270 -33.312 -14.255 1.00 26.29 ? 305 GLN A OE1 1 ATOM 2151 N NE2 . GLN A 1 270 ? 14.495 -32.928 -14.503 1.00 28.89 ? 305 GLN A NE2 1 ATOM 2152 N N . ASP A 1 271 ? 10.727 -28.732 -14.430 1.00 11.32 ? 306 ASP A N 1 ATOM 2153 C CA . ASP A 1 271 ? 9.712 -27.683 -14.571 1.00 11.50 ? 306 ASP A CA 1 ATOM 2154 C C . ASP A 1 271 ? 8.655 -28.259 -15.514 1.00 10.36 ? 306 ASP A C 1 ATOM 2155 O O . ASP A 1 271 ? 8.719 -29.415 -15.992 1.00 9.95 ? 306 ASP A O 1 ATOM 2156 C CB . ASP A 1 271 ? 10.327 -26.382 -15.188 1.00 8.91 ? 306 ASP A CB 1 ATOM 2157 C CG . ASP A 1 271 ? 9.582 -25.171 -14.830 1.00 6.12 ? 306 ASP A CG 1 ATOM 2158 O OD1 . ASP A 1 271 ? 8.467 -25.286 -14.308 1.00 10.45 ? 306 ASP A OD1 1 ATOM 2159 O OD2 . ASP A 1 271 ? 10.084 -24.069 -15.062 1.00 10.20 ? 306 ASP A OD2 1 ATOM 2160 N N . ASP A 1 272 ? 7.648 -27.436 -15.761 1.00 11.51 ? 307 ASP A N 1 ATOM 2161 C CA . ASP A 1 272 ? 6.492 -27.924 -16.491 1.00 11.18 ? 307 ASP A CA 1 ATOM 2162 C C . ASP A 1 272 ? 6.826 -28.354 -17.879 1.00 10.29 ? 307 ASP A C 1 ATOM 2163 O O . ASP A 1 272 ? 5.988 -28.960 -18.489 1.00 9.97 ? 307 ASP A O 1 ATOM 2164 C CB . ASP A 1 272 ? 5.501 -26.778 -16.614 1.00 12.33 ? 307 ASP A CB 1 ATOM 2165 C CG . ASP A 1 272 ? 4.746 -26.565 -15.335 1.00 11.75 ? 307 ASP A CG 1 ATOM 2166 O OD1 . ASP A 1 272 ? 4.327 -27.559 -14.668 1.00 14.99 ? 307 ASP A OD1 1 ATOM 2167 O OD2 . ASP A 1 272 ? 4.552 -25.391 -15.044 1.00 12.28 ? 307 ASP A OD2 1 ATOM 2168 N N . HIS A 1 273 ? 8.005 -28.017 -18.421 1.00 10.84 ? 308 HIS A N 1 ATOM 2169 C CA . HIS A 1 273 ? 8.335 -28.537 -19.764 1.00 12.06 ? 308 HIS A CA 1 ATOM 2170 C C . HIS A 1 273 ? 8.695 -30.025 -19.785 1.00 14.62 ? 308 HIS A C 1 ATOM 2171 O O . HIS A 1 273 ? 8.611 -30.697 -20.819 1.00 14.90 ? 308 HIS A O 1 ATOM 2172 C CB . HIS A 1 273 ? 9.516 -27.768 -20.350 1.00 12.34 ? 308 HIS A CB 1 ATOM 2173 C CG . HIS A 1 273 ? 10.782 -27.926 -19.547 1.00 12.65 ? 308 HIS A CG 1 ATOM 2174 N ND1 . HIS A 1 273 ? 10.806 -27.830 -18.159 1.00 14.25 ? 308 HIS A ND1 1 ATOM 2175 C CD2 . HIS A 1 273 ? 12.058 -28.166 -19.925 1.00 12.60 ? 308 HIS A CD2 1 ATOM 2176 C CE1 . HIS A 1 273 ? 12.047 -27.993 -17.729 1.00 14.66 ? 308 HIS A CE1 1 ATOM 2177 N NE2 . HIS A 1 273 ? 12.820 -28.216 -18.780 1.00 15.30 ? 308 HIS A NE2 1 ATOM 2178 N N . ILE A 1 274 ? 9.068 -30.556 -18.650 1.00 14.84 ? 309 ILE A N 1 ATOM 2179 C CA . ILE A 1 274 ? 9.622 -31.933 -18.646 1.00 15.39 ? 309 ILE A CA 1 ATOM 2180 C C . ILE A 1 274 ? 8.671 -32.970 -19.236 1.00 15.34 ? 309 ILE A C 1 ATOM 2181 O O . ILE A 1 274 ? 9.101 -33.773 -20.060 1.00 14.85 ? 309 ILE A O 1 ATOM 2182 C CB . ILE A 1 274 ? 9.996 -32.357 -17.213 1.00 14.76 ? 309 ILE A CB 1 ATOM 2183 C CG1 . ILE A 1 274 ? 11.243 -31.579 -16.781 1.00 18.40 ? 309 ILE A CG1 1 ATOM 2184 C CG2 . ILE A 1 274 ? 10.184 -33.894 -17.124 1.00 16.22 ? 309 ILE A CG2 1 ATOM 2185 C CD1 . ILE A 1 274 ? 12.449 -31.689 -17.710 1.00 17.86 ? 309 ILE A CD1 1 ATOM 2186 N N . PRO A 1 275 ? 7.374 -32.993 -18.788 1.00 14.88 ? 310 PRO A N 1 ATOM 2187 C CA . PRO A 1 275 ? 6.449 -33.991 -19.344 1.00 14.58 ? 310 PRO A CA 1 ATOM 2188 C C . PRO A 1 275 ? 6.355 -33.838 -20.845 1.00 14.62 ? 310 PRO A C 1 ATOM 2189 O O . PRO A 1 275 ? 6.031 -34.788 -21.494 1.00 15.93 ? 310 PRO A O 1 ATOM 2190 C CB . PRO A 1 275 ? 5.106 -33.609 -18.721 1.00 13.83 ? 310 PRO A CB 1 ATOM 2191 C CG . PRO A 1 275 ? 5.452 -32.911 -17.471 1.00 13.15 ? 310 PRO A CG 1 ATOM 2192 C CD . PRO A 1 275 ? 6.710 -32.142 -17.790 1.00 13.64 ? 310 PRO A CD 1 ATOM 2193 N N . PHE A 1 276 ? 6.513 -32.617 -21.364 1.00 15.08 ? 311 PHE A N 1 ATOM 2194 C CA . PHE A 1 276 ? 6.510 -32.386 -22.828 1.00 14.71 ? 311 PHE A CA 1 ATOM 2195 C C . PHE A 1 276 ? 7.807 -32.749 -23.488 1.00 15.16 ? 311 PHE A C 1 ATOM 2196 O O . PHE A 1 276 ? 7.850 -33.346 -24.571 1.00 16.24 ? 311 PHE A O 1 ATOM 2197 C CB . PHE A 1 276 ? 6.172 -30.945 -23.114 1.00 12.79 ? 311 PHE A CB 1 ATOM 2198 C CG . PHE A 1 276 ? 4.849 -30.594 -22.646 1.00 11.77 ? 311 PHE A CG 1 ATOM 2199 C CD1 . PHE A 1 276 ? 4.643 -30.135 -21.348 1.00 9.41 ? 311 PHE A CD1 1 ATOM 2200 C CD2 . PHE A 1 276 ? 3.762 -30.738 -23.484 1.00 9.41 ? 311 PHE A CD2 1 ATOM 2201 C CE1 . PHE A 1 276 ? 3.379 -29.794 -20.943 1.00 11.33 ? 311 PHE A CE1 1 ATOM 2202 C CE2 . PHE A 1 276 ? 2.497 -30.429 -23.048 1.00 12.70 ? 311 PHE A CE2 1 ATOM 2203 C CZ . PHE A 1 276 ? 2.330 -29.930 -21.774 1.00 14.74 ? 311 PHE A CZ 1 ATOM 2204 N N . LEU A 1 277 ? 8.883 -32.374 -22.857 1.00 17.77 ? 312 LEU A N 1 ATOM 2205 C CA . LEU A 1 277 ? 10.197 -32.677 -23.422 1.00 18.89 ? 312 LEU A CA 1 ATOM 2206 C C . LEU A 1 277 ? 10.352 -34.191 -23.554 1.00 21.75 ? 312 LEU A C 1 ATOM 2207 O O . LEU A 1 277 ? 10.929 -34.701 -24.552 1.00 21.08 ? 312 LEU A O 1 ATOM 2208 C CB . LEU A 1 277 ? 11.243 -32.132 -22.471 1.00 19.19 ? 312 LEU A CB 1 ATOM 2209 C CG . LEU A 1 277 ? 12.692 -32.205 -22.946 1.00 19.94 ? 312 LEU A CG 1 ATOM 2210 C CD1 . LEU A 1 277 ? 13.046 -31.037 -23.882 1.00 17.78 ? 312 LEU A CD1 1 ATOM 2211 C CD2 . LEU A 1 277 ? 13.489 -32.163 -21.675 1.00 17.75 ? 312 LEU A CD2 1 ATOM 2212 N N . ARG A 1 278 ? 9.829 -34.893 -22.555 1.00 23.71 ? 313 ARG A N 1 ATOM 2213 C CA . ARG A 1 278 ? 9.880 -36.339 -22.429 1.00 25.75 ? 313 ARG A CA 1 ATOM 2214 C C . ARG A 1 278 ? 9.266 -36.984 -23.679 1.00 26.04 ? 313 ARG A C 1 ATOM 2215 O O . ARG A 1 278 ? 9.689 -38.054 -24.124 1.00 25.31 ? 313 ARG A O 1 ATOM 2216 C CB . ARG A 1 278 ? 9.045 -36.656 -21.193 1.00 26.28 ? 313 ARG A CB 1 ATOM 2217 C CG . ARG A 1 278 ? 8.981 -38.050 -20.644 1.00 33.27 ? 313 ARG A CG 1 ATOM 2218 C CD . ARG A 1 278 ? 8.184 -37.982 -19.324 1.00 36.64 ? 313 ARG A CD 1 ATOM 2219 N NE . ARG A 1 278 ? 9.069 -37.819 -18.156 1.00 44.14 ? 313 ARG A NE 1 ATOM 2220 C CZ . ARG A 1 278 ? 8.846 -37.102 -17.032 1.00 44.00 ? 313 ARG A CZ 1 ATOM 2221 N NH1 . ARG A 1 278 ? 7.742 -36.313 -16.803 1.00 39.49 ? 313 ARG A NH1 1 ATOM 2222 N NH2 . ARG A 1 278 ? 9.808 -37.140 -16.122 1.00 44.77 ? 313 ARG A NH2 1 ATOM 2223 N N . LYS A 1 279 ? 8.251 -36.325 -24.237 1.00 25.27 ? 314 LYS A N 1 ATOM 2224 C CA . LYS A 1 279 ? 7.535 -36.803 -25.419 1.00 25.25 ? 314 LYS A CA 1 ATOM 2225 C C . LYS A 1 279 ? 8.143 -36.255 -26.710 1.00 24.86 ? 314 LYS A C 1 ATOM 2226 O O . LYS A 1 279 ? 7.538 -36.354 -27.766 1.00 27.12 ? 314 LYS A O 1 ATOM 2227 C CB . LYS A 1 279 ? 6.081 -36.371 -25.364 1.00 24.44 ? 314 LYS A CB 1 ATOM 2228 C CG . LYS A 1 279 ? 5.320 -36.618 -24.069 1.00 26.68 ? 314 LYS A CG 1 ATOM 2229 C CD . LYS A 1 279 ? 5.110 -38.085 -23.751 1.00 28.47 ? 314 LYS A CD 1 ATOM 2230 C CE . LYS A 1 279 ? 4.659 -38.858 -25.001 1.00 31.05 ? 314 LYS A CE 1 ATOM 2231 N NZ . LYS A 1 279 ? 4.251 -40.288 -24.764 1.00 31.52 ? 314 LYS A NZ 1 ATOM 2232 N N . GLY A 1 280 ? 9.330 -35.682 -26.619 1.00 24.50 ? 315 GLY A N 1 ATOM 2233 C CA . GLY A 1 280 ? 10.011 -35.046 -27.771 1.00 24.63 ? 315 GLY A CA 1 ATOM 2234 C C . GLY A 1 280 ? 9.510 -33.678 -28.222 1.00 22.82 ? 315 GLY A C 1 ATOM 2235 O O . GLY A 1 280 ? 9.905 -33.191 -29.267 1.00 23.75 ? 315 GLY A O 1 ATOM 2236 N N . VAL A 1 281 ? 8.673 -33.016 -27.414 1.00 21.54 ? 316 VAL A N 1 ATOM 2237 C CA . VAL A 1 281 ? 8.266 -31.682 -27.765 1.00 19.69 ? 316 VAL A CA 1 ATOM 2238 C C . VAL A 1 281 ? 9.487 -30.821 -27.652 1.00 19.54 ? 316 VAL A C 1 ATOM 2239 O O . VAL A 1 281 ? 10.212 -30.923 -26.667 1.00 20.99 ? 316 VAL A O 1 ATOM 2240 C CB . VAL A 1 281 ? 7.170 -31.153 -26.822 1.00 19.23 ? 316 VAL A CB 1 ATOM 2241 C CG1 . VAL A 1 281 ? 6.919 -29.611 -27.052 1.00 16.20 ? 316 VAL A CG1 1 ATOM 2242 C CG2 . VAL A 1 281 ? 5.901 -32.011 -26.981 1.00 19.02 ? 316 VAL A CG2 1 ATOM 2243 N N . PRO A 1 282 ? 9.724 -29.926 -28.643 1.00 19.79 ? 317 PRO A N 1 ATOM 2244 C CA . PRO A 1 282 ? 10.842 -29.099 -28.483 1.00 17.60 ? 317 PRO A CA 1 ATOM 2245 C C . PRO A 1 282 ? 10.560 -28.024 -27.482 1.00 18.32 ? 317 PRO A C 1 ATOM 2246 O O . PRO A 1 282 ? 9.444 -27.452 -27.439 1.00 17.74 ? 317 PRO A O 1 ATOM 2247 C CB . PRO A 1 282 ? 10.991 -28.451 -29.852 1.00 18.85 ? 317 PRO A CB 1 ATOM 2248 C CG . PRO A 1 282 ? 10.278 -29.358 -30.784 1.00 18.42 ? 317 PRO A CG 1 ATOM 2249 C CD . PRO A 1 282 ? 9.122 -29.743 -29.977 1.00 18.04 ? 317 PRO A CD 1 ATOM 2250 N N . VAL A 1 283 ? 11.580 -27.758 -26.668 1.00 18.44 ? 318 VAL A N 1 ATOM 2251 C CA . VAL A 1 283 ? 11.371 -26.835 -25.548 1.00 17.10 ? 318 VAL A CA 1 ATOM 2252 C C . VAL A 1 283 ? 12.381 -25.730 -25.577 1.00 17.52 ? 318 VAL A C 1 ATOM 2253 O O . VAL A 1 283 ? 13.567 -25.950 -25.789 1.00 16.64 ? 318 VAL A O 1 ATOM 2254 C CB . VAL A 1 283 ? 11.393 -27.546 -24.198 1.00 16.59 ? 318 VAL A CB 1 ATOM 2255 C CG1 . VAL A 1 283 ? 11.428 -26.512 -23.059 1.00 15.18 ? 318 VAL A CG1 1 ATOM 2256 C CG2 . VAL A 1 283 ? 10.182 -28.444 -24.030 1.00 17.19 ? 318 VAL A CG2 1 ATOM 2257 N N . LEU A 1 284 ? 11.917 -24.526 -25.272 1.00 15.03 ? 319 LEU A N 1 ATOM 2258 C CA . LEU A 1 284 ? 12.796 -23.465 -24.925 1.00 15.62 ? 319 LEU A CA 1 ATOM 2259 C C . LEU A 1 284 ? 12.448 -23.060 -23.508 1.00 15.24 ? 319 LEU A C 1 ATOM 2260 O O . LEU A 1 284 ? 11.366 -22.567 -23.246 1.00 13.45 ? 319 LEU A O 1 ATOM 2261 C CB . LEU A 1 284 ? 12.565 -22.315 -25.881 1.00 15.81 ? 319 LEU A CB 1 ATOM 2262 C CG . LEU A 1 284 ? 13.575 -21.251 -25.936 1.00 19.17 ? 319 LEU A CG 1 ATOM 2263 C CD1 . LEU A 1 284 ? 15.029 -21.830 -26.268 1.00 16.85 ? 319 LEU A CD1 1 ATOM 2264 C CD2 . LEU A 1 284 ? 13.106 -20.220 -27.008 1.00 17.97 ? 319 LEU A CD2 1 ATOM 2265 N N . HIS A 1 285 ? 13.352 -23.329 -22.568 1.00 14.45 ? 320 HIS A N 1 ATOM 2266 C CA . HIS A 1 285 ? 13.015 -23.173 -21.167 1.00 14.74 ? 320 HIS A CA 1 ATOM 2267 C C . HIS A 1 285 ? 13.628 -21.854 -20.665 1.00 15.37 ? 320 HIS A C 1 ATOM 2268 O O . HIS A 1 285 ? 14.878 -21.727 -20.437 1.00 14.63 ? 320 HIS A O 1 ATOM 2269 C CB . HIS A 1 285 ? 13.549 -24.359 -20.351 1.00 15.82 ? 320 HIS A CB 1 ATOM 2270 C CG . HIS A 1 285 ? 13.054 -24.397 -18.945 1.00 14.55 ? 320 HIS A CG 1 ATOM 2271 N ND1 . HIS A 1 285 ? 13.641 -25.194 -17.996 1.00 13.38 ? 320 HIS A ND1 1 ATOM 2272 C CD2 . HIS A 1 285 ? 12.074 -23.700 -18.310 1.00 11.62 ? 320 HIS A CD2 1 ATOM 2273 C CE1 . HIS A 1 285 ? 13.031 -25.025 -16.837 1.00 13.55 ? 320 HIS A CE1 1 ATOM 2274 N NE2 . HIS A 1 285 ? 12.045 -24.153 -17.004 1.00 13.27 ? 320 HIS A NE2 1 ATOM 2275 N N . LEU A 1 286 ? 12.764 -20.863 -20.531 1.00 10.99 ? 321 LEU A N 1 ATOM 2276 C CA . LEU A 1 286 ? 13.227 -19.563 -20.159 1.00 12.49 ? 321 LEU A CA 1 ATOM 2277 C C . LEU A 1 286 ? 12.996 -19.429 -18.676 1.00 11.17 ? 321 LEU A C 1 ATOM 2278 O O . LEU A 1 286 ? 12.103 -18.744 -18.257 1.00 12.35 ? 321 LEU A O 1 ATOM 2279 C CB . LEU A 1 286 ? 12.556 -18.389 -20.895 1.00 12.22 ? 321 LEU A CB 1 ATOM 2280 C CG . LEU A 1 286 ? 12.572 -18.518 -22.420 1.00 15.22 ? 321 LEU A CG 1 ATOM 2281 C CD1 . LEU A 1 286 ? 12.062 -17.279 -23.074 1.00 20.18 ? 321 LEU A CD1 1 ATOM 2282 C CD2 . LEU A 1 286 ? 14.022 -18.759 -22.793 1.00 21.01 ? 321 LEU A CD2 1 ATOM 2283 N N . ILE A 1 287 ? 13.899 -20.028 -17.919 1.00 12.15 ? 322 ILE A N 1 ATOM 2284 C CA . ILE A 1 287 ? 13.942 -19.915 -16.475 1.00 12.28 ? 322 ILE A CA 1 ATOM 2285 C C . ILE A 1 287 ? 15.256 -19.238 -16.109 1.00 13.58 ? 322 ILE A C 1 ATOM 2286 O O . ILE A 1 287 ? 16.273 -19.511 -16.736 1.00 14.86 ? 322 ILE A O 1 ATOM 2287 C CB . ILE A 1 287 ? 13.789 -21.268 -15.824 1.00 12.59 ? 322 ILE A CB 1 ATOM 2288 C CG1 . ILE A 1 287 ? 13.734 -21.165 -14.288 1.00 10.47 ? 322 ILE A CG1 1 ATOM 2289 C CG2 . ILE A 1 287 ? 14.967 -22.251 -16.322 1.00 13.20 ? 322 ILE A CG2 1 ATOM 2290 C CD1 . ILE A 1 287 ? 13.223 -22.556 -13.700 1.00 8.80 ? 322 ILE A CD1 1 ATOM 2291 N N . ALA A 1 288 ? 15.231 -18.368 -15.105 1.00 13.13 ? 323 ALA A N 1 ATOM 2292 C CA . ALA A 1 288 ? 16.443 -17.634 -14.725 1.00 13.13 ? 323 ALA A CA 1 ATOM 2293 C C . ALA A 1 288 ? 17.227 -18.599 -13.937 1.00 14.72 ? 323 ALA A C 1 ATOM 2294 O O . ALA A 1 288 ? 16.683 -19.298 -13.080 1.00 14.07 ? 323 ALA A O 1 ATOM 2295 C CB . ALA A 1 288 ? 16.114 -16.428 -13.840 1.00 12.92 ? 323 ALA A CB 1 ATOM 2296 N N . SER A 1 289 ? 18.518 -18.593 -14.188 1.00 16.48 ? 324 SER A N 1 ATOM 2297 C CA . SER A 1 289 ? 19.402 -19.456 -13.495 1.00 17.59 ? 324 SER A CA 1 ATOM 2298 C C . SER A 1 289 ? 20.721 -18.677 -13.501 1.00 16.40 ? 324 SER A C 1 ATOM 2299 O O . SER A 1 289 ? 21.269 -18.339 -14.581 1.00 18.20 ? 324 SER A O 1 ATOM 2300 C CB . SER A 1 289 ? 19.507 -20.846 -14.106 1.00 18.58 ? 324 SER A CB 1 ATOM 2301 O OG . SER A 1 289 ? 20.552 -21.514 -13.415 1.00 18.66 ? 324 SER A OG 1 ATOM 2302 N N . PRO A 1 290 ? 21.195 -18.336 -12.298 1.00 16.36 ? 325 PRO A N 1 ATOM 2303 C CA . PRO A 1 290 ? 20.673 -18.841 -10.988 1.00 14.88 ? 325 PRO A CA 1 ATOM 2304 C C . PRO A 1 290 ? 19.294 -18.297 -10.617 1.00 14.02 ? 325 PRO A C 1 ATOM 2305 O O . PRO A 1 290 ? 18.834 -17.238 -11.093 1.00 11.59 ? 325 PRO A O 1 ATOM 2306 C CB . PRO A 1 290 ? 21.762 -18.398 -9.969 1.00 14.08 ? 325 PRO A CB 1 ATOM 2307 C CG . PRO A 1 290 ? 22.717 -17.546 -10.727 1.00 19.68 ? 325 PRO A CG 1 ATOM 2308 C CD . PRO A 1 290 ? 22.210 -17.282 -12.117 1.00 14.61 ? 325 PRO A CD 1 ATOM 2309 N N . PHE A 1 291 ? 18.590 -19.060 -9.808 1.00 13.10 ? 326 PHE A N 1 ATOM 2310 C CA . PHE A 1 291 ? 17.316 -18.602 -9.302 1.00 12.42 ? 326 PHE A CA 1 ATOM 2311 C C . PHE A 1 291 ? 17.517 -17.304 -8.510 1.00 13.81 ? 326 PHE A C 1 ATOM 2312 O O . PHE A 1 291 ? 18.580 -17.095 -7.984 1.00 14.08 ? 326 PHE A O 1 ATOM 2313 C CB . PHE A 1 291 ? 16.653 -19.638 -8.409 1.00 11.95 ? 326 PHE A CB 1 ATOM 2314 C CG . PHE A 1 291 ? 16.324 -20.942 -9.083 1.00 14.04 ? 326 PHE A CG 1 ATOM 2315 C CD1 . PHE A 1 291 ? 16.425 -21.124 -10.449 1.00 12.51 ? 326 PHE A CD1 1 ATOM 2316 C CD2 . PHE A 1 291 ? 15.851 -21.995 -8.310 1.00 15.86 ? 326 PHE A CD2 1 ATOM 2317 C CE1 . PHE A 1 291 ? 16.072 -22.335 -11.018 1.00 10.88 ? 326 PHE A CE1 1 ATOM 2318 C CE2 . PHE A 1 291 ? 15.518 -23.240 -8.887 1.00 13.96 ? 326 PHE A CE2 1 ATOM 2319 C CZ . PHE A 1 291 ? 15.617 -23.393 -10.229 1.00 13.40 ? 326 PHE A CZ 1 ATOM 2320 N N . PRO A 1 292 ? 16.526 -16.422 -8.524 1.00 13.59 ? 327 PRO A N 1 ATOM 2321 C CA . PRO A 1 292 ? 16.478 -15.252 -7.707 1.00 14.62 ? 327 PRO A CA 1 ATOM 2322 C C . PRO A 1 292 ? 16.716 -15.621 -6.223 1.00 13.30 ? 327 PRO A C 1 ATOM 2323 O O . PRO A 1 292 ? 16.274 -16.667 -5.725 1.00 13.47 ? 327 PRO A O 1 ATOM 2324 C CB . PRO A 1 292 ? 15.028 -14.761 -7.910 1.00 14.78 ? 327 PRO A CB 1 ATOM 2325 C CG . PRO A 1 292 ? 14.593 -15.303 -9.202 1.00 14.61 ? 327 PRO A CG 1 ATOM 2326 C CD . PRO A 1 292 ? 15.269 -16.644 -9.275 1.00 14.34 ? 327 PRO A CD 1 ATOM 2327 N N . GLU A 1 293 ? 17.396 -14.717 -5.524 1.00 14.79 ? 328 GLU A N 1 ATOM 2328 C CA . GLU A 1 293 ? 17.638 -14.860 -4.102 1.00 13.77 ? 328 GLU A CA 1 ATOM 2329 C C . GLU A 1 293 ? 16.307 -15.078 -3.430 1.00 13.79 ? 328 GLU A C 1 ATOM 2330 O O . GLU A 1 293 ? 16.204 -15.870 -2.492 1.00 15.63 ? 328 GLU A O 1 ATOM 2331 C CB . GLU A 1 293 ? 18.229 -13.528 -3.519 1.00 15.69 ? 328 GLU A CB 1 ATOM 2332 C CG . GLU A 1 293 ? 18.761 -13.717 -2.106 1.00 15.33 ? 328 GLU A CG 1 ATOM 2333 C CD . GLU A 1 293 ? 17.709 -13.568 -1.023 1.00 19.28 ? 328 GLU A CD 1 ATOM 2334 O OE1 . GLU A 1 293 ? 16.709 -12.899 -1.260 1.00 18.71 ? 328 GLU A OE1 1 ATOM 2335 O OE2 . GLU A 1 293 ? 17.893 -14.180 0.062 1.00 19.70 ? 328 GLU A OE2 1 ATOM 2336 N N . VAL A 1 294 ? 15.260 -14.431 -3.942 1.00 13.27 ? 329 VAL A N 1 ATOM 2337 C CA . VAL A 1 294 ? 13.918 -14.513 -3.343 1.00 14.83 ? 329 VAL A CA 1 ATOM 2338 C C . VAL A 1 294 ? 13.129 -15.779 -3.612 1.00 13.40 ? 329 VAL A C 1 ATOM 2339 O O . VAL A 1 294 ? 12.020 -15.987 -3.067 1.00 13.36 ? 329 VAL A O 1 ATOM 2340 C CB . VAL A 1 294 ? 13.037 -13.342 -3.722 1.00 15.89 ? 329 VAL A CB 1 ATOM 2341 C CG1 . VAL A 1 294 ? 13.650 -11.979 -3.281 1.00 17.30 ? 329 VAL A CG1 1 ATOM 2342 C CG2 . VAL A 1 294 ? 12.629 -13.412 -5.255 1.00 13.75 ? 329 VAL A CG2 1 ATOM 2343 N N . TRP A 1 295 ? 13.701 -16.637 -4.417 1.00 13.94 ? 330 TRP A N 1 ATOM 2344 C CA . TRP A 1 295 ? 13.042 -17.921 -4.788 1.00 13.79 ? 330 TRP A CA 1 ATOM 2345 C C . TRP A 1 295 ? 12.498 -18.685 -3.612 1.00 13.34 ? 330 TRP A C 1 ATOM 2346 O O . TRP A 1 295 ? 13.206 -18.991 -2.632 1.00 12.04 ? 330 TRP A O 1 ATOM 2347 C CB . TRP A 1 295 ? 14.025 -18.773 -5.525 1.00 13.53 ? 330 TRP A CB 1 ATOM 2348 C CG . TRP A 1 295 ? 13.441 -19.997 -6.047 1.00 15.28 ? 330 TRP A CG 1 ATOM 2349 C CD1 . TRP A 1 295 ? 12.682 -20.106 -7.180 1.00 11.34 ? 330 TRP A CD1 1 ATOM 2350 C CD2 . TRP A 1 295 ? 13.635 -21.324 -5.558 1.00 11.21 ? 330 TRP A CD2 1 ATOM 2351 N NE1 . TRP A 1 295 ? 12.366 -21.401 -7.388 1.00 11.88 ? 330 TRP A NE1 1 ATOM 2352 C CE2 . TRP A 1 295 ? 12.919 -22.177 -6.412 1.00 14.53 ? 330 TRP A CE2 1 ATOM 2353 C CE3 . TRP A 1 295 ? 14.303 -21.880 -4.449 1.00 15.36 ? 330 TRP A CE3 1 ATOM 2354 C CZ2 . TRP A 1 295 ? 12.885 -23.533 -6.236 1.00 13.63 ? 330 TRP A CZ2 1 ATOM 2355 C CZ3 . TRP A 1 295 ? 14.251 -23.195 -4.269 1.00 13.10 ? 330 TRP A CZ3 1 ATOM 2356 C CH2 . TRP A 1 295 ? 13.554 -24.040 -5.188 1.00 15.04 ? 330 TRP A CH2 1 ATOM 2357 N N . HIS A 1 296 ? 11.180 -18.897 -3.674 1.00 12.65 ? 331 HIS A N 1 ATOM 2358 C CA . HIS A 1 296 ? 10.403 -19.677 -2.672 1.00 12.89 ? 331 HIS A CA 1 ATOM 2359 C C . HIS A 1 296 ? 10.540 -19.062 -1.317 1.00 15.71 ? 331 HIS A C 1 ATOM 2360 O O . HIS A 1 296 ? 10.485 -19.766 -0.309 1.00 14.63 ? 331 HIS A O 1 ATOM 2361 C CB . HIS A 1 296 ? 10.863 -21.100 -2.643 1.00 12.95 ? 331 HIS A CB 1 ATOM 2362 C CG . HIS A 1 296 ? 10.410 -21.880 -3.833 1.00 15.60 ? 331 HIS A CG 1 ATOM 2363 N ND1 . HIS A 1 296 ? 10.611 -23.235 -3.960 1.00 12.48 ? 331 HIS A ND1 1 ATOM 2364 C CD2 . HIS A 1 296 ? 9.762 -21.488 -4.955 1.00 13.25 ? 331 HIS A CD2 1 ATOM 2365 C CE1 . HIS A 1 296 ? 10.130 -23.643 -5.113 1.00 14.41 ? 331 HIS A CE1 1 ATOM 2366 N NE2 . HIS A 1 296 ? 9.589 -22.615 -5.719 1.00 9.63 ? 331 HIS A NE2 1 ATOM 2367 N N . THR A 1 297 ? 10.692 -17.751 -1.288 1.00 13.68 ? 332 THR A N 1 ATOM 2368 C CA . THR A 1 297 ? 10.630 -17.017 -0.009 1.00 13.13 ? 332 THR A CA 1 ATOM 2369 C C . THR A 1 297 ? 9.469 -16.065 -0.125 1.00 13.85 ? 332 THR A C 1 ATOM 2370 O O . THR A 1 297 ? 8.985 -15.734 -1.252 1.00 14.18 ? 332 THR A O 1 ATOM 2371 C CB . THR A 1 297 ? 11.890 -16.195 0.238 1.00 11.14 ? 332 THR A CB 1 ATOM 2372 O OG1 . THR A 1 297 ? 11.847 -15.034 -0.617 1.00 12.20 ? 332 THR A OG1 1 ATOM 2373 C CG2 . THR A 1 297 ? 13.147 -16.989 0.029 1.00 12.18 ? 332 THR A CG2 1 ATOM 2374 N N . MET A 1 298 ? 9.056 -15.505 0.998 1.00 14.16 ? 333 MET A N 1 ATOM 2375 C CA . MET A 1 298 ? 8.008 -14.482 0.979 1.00 15.68 ? 333 MET A CA 1 ATOM 2376 C C . MET A 1 298 ? 8.362 -13.207 0.258 1.00 15.04 ? 333 MET A C 1 ATOM 2377 O O . MET A 1 298 ? 7.491 -12.430 -0.018 1.00 16.46 ? 333 MET A O 1 ATOM 2378 C CB . MET A 1 298 ? 7.529 -14.064 2.383 1.00 16.66 ? 333 MET A CB 1 ATOM 2379 C CG . MET A 1 298 ? 7.006 -15.203 3.176 1.00 22.33 ? 333 MET A CG 1 ATOM 2380 S SD . MET A 1 298 ? 5.489 -15.689 2.419 1.00 30.18 ? 333 MET A SD 1 ATOM 2381 C CE . MET A 1 298 ? 4.972 -16.726 3.702 1.00 16.74 ? 333 MET A CE 1 ATOM 2382 N N . ASP A 1 299 ? 9.632 -12.972 0.016 1.00 13.01 ? 334 ASP A N 1 ATOM 2383 C CA . ASP A 1 299 ? 10.084 -11.798 -0.607 1.00 13.67 ? 334 ASP A CA 1 ATOM 2384 C C . ASP A 1 299 ? 10.040 -11.976 -2.069 1.00 12.41 ? 334 ASP A C 1 ATOM 2385 O O . ASP A 1 299 ? 10.448 -11.089 -2.766 1.00 13.69 ? 334 ASP A O 1 ATOM 2386 C CB . ASP A 1 299 ? 11.511 -11.477 -0.128 1.00 13.09 ? 334 ASP A CB 1 ATOM 2387 C CG . ASP A 1 299 ? 11.507 -11.187 1.330 1.00 19.80 ? 334 ASP A CG 1 ATOM 2388 O OD1 . ASP A 1 299 ? 10.744 -10.281 1.738 1.00 21.26 ? 334 ASP A OD1 1 ATOM 2389 O OD2 . ASP A 1 299 ? 12.112 -11.997 2.042 1.00 16.46 ? 334 ASP A OD2 1 ATOM 2390 N N . ASP A 1 300 ? 9.553 -13.147 -2.535 1.00 12.08 ? 335 ASP A N 1 ATOM 2391 C CA . ASP A 1 300 ? 9.290 -13.210 -3.978 1.00 12.74 ? 335 ASP A CA 1 ATOM 2392 C C . ASP A 1 300 ? 7.974 -12.504 -4.206 1.00 12.19 ? 335 ASP A C 1 ATOM 2393 O O . ASP A 1 300 ? 6.917 -13.116 -4.342 1.00 10.65 ? 335 ASP A O 1 ATOM 2394 C CB . ASP A 1 300 ? 9.332 -14.612 -4.542 1.00 11.22 ? 335 ASP A CB 1 ATOM 2395 C CG . ASP A 1 300 ? 9.112 -14.608 -6.039 1.00 12.28 ? 335 ASP A CG 1 ATOM 2396 O OD1 . ASP A 1 300 ? 9.106 -13.527 -6.672 1.00 12.28 ? 335 ASP A OD1 1 ATOM 2397 O OD2 . ASP A 1 300 ? 8.969 -15.672 -6.575 1.00 13.33 ? 335 ASP A OD2 1 ATOM 2398 N N . ASN A 1 301 ? 8.073 -11.167 -4.194 1.00 12.61 ? 336 ASN A N 1 ATOM 2399 C CA . ASN A 1 301 ? 6.879 -10.388 -4.109 1.00 13.55 ? 336 ASN A CA 1 ATOM 2400 C C . ASN A 1 301 ? 6.984 -9.239 -5.070 1.00 12.66 ? 336 ASN A C 1 ATOM 2401 O O . ASN A 1 301 ? 7.960 -9.091 -5.768 1.00 12.92 ? 336 ASN A O 1 ATOM 2402 C CB . ASN A 1 301 ? 6.698 -9.879 -2.657 1.00 14.05 ? 336 ASN A CB 1 ATOM 2403 C CG . ASN A 1 301 ? 7.887 -9.048 -2.140 1.00 14.97 ? 336 ASN A CG 1 ATOM 2404 O OD1 . ASN A 1 301 ? 8.117 -8.953 -0.889 1.00 21.37 ? 336 ASN A OD1 1 ATOM 2405 N ND2 . ASN A 1 301 ? 8.670 -8.506 -3.026 1.00 9.73 ? 336 ASN A ND2 1 ATOM 2406 N N . GLU A 1 302 ? 5.952 -8.445 -5.130 1.00 13.78 ? 337 GLU A N 1 ATOM 2407 C CA . GLU A 1 302 ? 5.959 -7.281 -6.022 1.00 15.84 ? 337 GLU A CA 1 ATOM 2408 C C . GLU A 1 302 ? 7.126 -6.347 -5.869 1.00 16.67 ? 337 GLU A C 1 ATOM 2409 O O . GLU A 1 302 ? 7.777 -5.980 -6.867 1.00 13.78 ? 337 GLU A O 1 ATOM 2410 C CB . GLU A 1 302 ? 4.683 -6.452 -5.783 1.00 17.43 ? 337 GLU A CB 1 ATOM 2411 C CG . GLU A 1 302 ? 4.586 -5.305 -6.792 1.00 20.31 ? 337 GLU A CG 1 ATOM 2412 C CD . GLU A 1 302 ? 3.216 -4.735 -6.825 1.00 19.40 ? 337 GLU A CD 1 ATOM 2413 O OE1 . GLU A 1 302 ? 2.391 -5.185 -6.025 1.00 16.32 ? 337 GLU A OE1 1 ATOM 2414 O OE2 . GLU A 1 302 ? 2.886 -3.918 -7.709 1.00 20.10 ? 337 GLU A OE2 1 ATOM 2415 N N . GLU A 1 303 ? 7.433 -6.024 -4.614 1.00 17.77 ? 338 GLU A N 1 ATOM 2416 C CA . GLU A 1 303 ? 8.524 -5.103 -4.315 1.00 19.07 ? 338 GLU A CA 1 ATOM 2417 C C . GLU A 1 303 ? 9.836 -5.495 -4.916 1.00 19.84 ? 338 GLU A C 1 ATOM 2418 O O . GLU A 1 303 ? 10.604 -4.621 -5.319 1.00 19.50 ? 338 GLU A O 1 ATOM 2419 C CB . GLU A 1 303 ? 8.670 -4.908 -2.804 1.00 20.08 ? 338 GLU A CB 1 ATOM 2420 C CG . GLU A 1 303 ? 9.701 -3.834 -2.486 1.00 27.90 ? 338 GLU A CG 1 ATOM 2421 C CD . GLU A 1 303 ? 9.859 -3.598 -0.969 1.00 34.67 ? 338 GLU A CD 1 ATOM 2422 O OE1 . GLU A 1 303 ? 9.270 -4.383 -0.175 1.00 35.88 ? 338 GLU A OE1 1 ATOM 2423 O OE2 . GLU A 1 303 ? 10.557 -2.620 -0.590 1.00 39.23 ? 338 GLU A OE2 1 ATOM 2424 N N . ASN A 1 304 ? 10.115 -6.792 -4.980 1.00 19.55 ? 339 ASN A N 1 ATOM 2425 C CA . ASN A 1 304 ? 11.423 -7.245 -5.459 1.00 19.10 ? 339 ASN A CA 1 ATOM 2426 C C . ASN A 1 304 ? 11.465 -7.487 -6.947 1.00 18.33 ? 339 ASN A C 1 ATOM 2427 O O . ASN A 1 304 ? 12.478 -7.943 -7.476 1.00 18.43 ? 339 ASN A O 1 ATOM 2428 C CB . ASN A 1 304 ? 11.828 -8.504 -4.733 1.00 18.78 ? 339 ASN A CB 1 ATOM 2429 C CG . ASN A 1 304 ? 12.208 -8.216 -3.278 1.00 21.71 ? 339 ASN A CG 1 ATOM 2430 O OD1 . ASN A 1 304 ? 11.366 -8.274 -2.409 1.00 19.96 ? 339 ASN A OD1 1 ATOM 2431 N ND2 . ASN A 1 304 ? 13.455 -7.830 -3.045 1.00 25.94 ? 339 ASN A ND2 1 ATOM 2432 N N . LEU A 1 305 ? 10.365 -7.189 -7.610 1.00 18.20 ? 340 LEU A N 1 ATOM 2433 C CA . LEU A 1 305 ? 10.369 -7.269 -9.060 1.00 16.92 ? 340 LEU A CA 1 ATOM 2434 C C . LEU A 1 305 ? 11.078 -6.064 -9.688 1.00 18.24 ? 340 LEU A C 1 ATOM 2435 O O . LEU A 1 305 ? 11.071 -4.949 -9.145 1.00 19.24 ? 340 LEU A O 1 ATOM 2436 C CB . LEU A 1 305 ? 8.953 -7.329 -9.577 1.00 16.41 ? 340 LEU A CB 1 ATOM 2437 C CG . LEU A 1 305 ? 8.167 -8.582 -9.282 1.00 13.62 ? 340 LEU A CG 1 ATOM 2438 C CD1 . LEU A 1 305 ? 6.797 -8.424 -9.956 1.00 12.90 ? 340 LEU A CD1 1 ATOM 2439 C CD2 . LEU A 1 305 ? 8.896 -9.875 -9.677 1.00 9.82 ? 340 LEU A CD2 1 ATOM 2440 N N . HIS A 1 306 ? 11.698 -6.303 -10.820 1.00 19.12 ? 341 HIS A N 1 ATOM 2441 C CA . HIS A 1 306 ? 12.462 -5.250 -11.492 1.00 18.77 ? 341 HIS A CA 1 ATOM 2442 C C . HIS A 1 306 ? 11.759 -4.978 -12.814 1.00 16.77 ? 341 HIS A C 1 ATOM 2443 O O . HIS A 1 306 ? 11.795 -5.761 -13.705 1.00 16.27 ? 341 HIS A O 1 ATOM 2444 C CB . HIS A 1 306 ? 13.916 -5.680 -11.630 1.00 19.57 ? 341 HIS A CB 1 ATOM 2445 C CG . HIS A 1 306 ? 14.829 -4.545 -12.017 1.00 27.80 ? 341 HIS A CG 1 ATOM 2446 N ND1 . HIS A 1 306 ? 15.710 -4.612 -13.084 1.00 30.44 ? 341 HIS A ND1 1 ATOM 2447 C CD2 . HIS A 1 306 ? 14.973 -3.299 -11.490 1.00 32.08 ? 341 HIS A CD2 1 ATOM 2448 C CE1 . HIS A 1 306 ? 16.369 -3.470 -13.183 1.00 28.05 ? 341 HIS A CE1 1 ATOM 2449 N NE2 . HIS A 1 306 ? 15.929 -2.650 -12.239 1.00 28.50 ? 341 HIS A NE2 1 ATOM 2450 N N . ALA A 1 307 ? 11.083 -3.860 -12.904 1.00 16.35 ? 342 ALA A N 1 ATOM 2451 C CA . ALA A 1 307 ? 10.149 -3.651 -13.976 1.00 15.94 ? 342 ALA A CA 1 ATOM 2452 C C . ALA A 1 307 ? 10.865 -3.577 -15.302 1.00 16.34 ? 342 ALA A C 1 ATOM 2453 O O . ALA A 1 307 ? 10.343 -4.075 -16.282 1.00 16.47 ? 342 ALA A O 1 ATOM 2454 C CB . ALA A 1 307 ? 9.350 -2.375 -13.780 1.00 17.73 ? 342 ALA A CB 1 ATOM 2455 N N . SER A 1 308 ? 12.039 -2.935 -15.367 1.00 15.12 ? 343 SER A N 1 ATOM 2456 C CA . SER A 1 308 ? 12.653 -2.758 -16.670 1.00 15.91 ? 343 SER A CA 1 ATOM 2457 C C . SER A 1 308 ? 13.032 -4.100 -17.187 1.00 14.05 ? 343 SER A C 1 ATOM 2458 O O . SER A 1 308 ? 12.992 -4.311 -18.368 1.00 14.83 ? 343 SER A O 1 ATOM 2459 C CB . SER A 1 308 ? 13.926 -1.902 -16.642 1.00 16.11 ? 343 SER A CB 1 ATOM 2460 O OG . SER A 1 308 ? 14.883 -2.495 -15.784 1.00 23.09 ? 343 SER A OG 1 ATOM 2461 N N . THR A 1 309 ? 13.432 -5.017 -16.314 1.00 12.69 ? 344 THR A N 1 ATOM 2462 C CA . THR A 1 309 ? 13.879 -6.275 -16.793 1.00 13.50 ? 344 THR A CA 1 ATOM 2463 C C . THR A 1 309 ? 12.703 -6.992 -17.424 1.00 11.70 ? 344 THR A C 1 ATOM 2464 O O . THR A 1 309 ? 12.830 -7.635 -18.448 1.00 11.53 ? 344 THR A O 1 ATOM 2465 C CB . THR A 1 309 ? 14.415 -7.139 -15.623 1.00 13.09 ? 344 THR A CB 1 ATOM 2466 O OG1 . THR A 1 309 ? 15.513 -6.442 -15.011 1.00 16.58 ? 344 THR A OG1 1 ATOM 2467 C CG2 . THR A 1 309 ? 14.906 -8.416 -16.151 1.00 13.95 ? 344 THR A CG2 1 ATOM 2468 N N . ILE A 1 310 ? 11.551 -6.916 -16.765 1.00 11.25 ? 345 ILE A N 1 ATOM 2469 C CA . ILE A 1 310 ? 10.368 -7.634 -17.293 1.00 11.52 ? 345 ILE A CA 1 ATOM 2470 C C . ILE A 1 310 ? 9.930 -6.991 -18.631 1.00 11.28 ? 345 ILE A C 1 ATOM 2471 O O . ILE A 1 310 ? 9.571 -7.673 -19.636 1.00 11.90 ? 345 ILE A O 1 ATOM 2472 C CB . ILE A 1 310 ? 9.231 -7.500 -16.247 1.00 11.12 ? 345 ILE A CB 1 ATOM 2473 C CG1 . ILE A 1 310 ? 9.657 -8.213 -14.970 1.00 13.94 ? 345 ILE A CG1 1 ATOM 2474 C CG2 . ILE A 1 310 ? 7.874 -8.045 -16.839 1.00 13.73 ? 345 ILE A CG2 1 ATOM 2475 C CD1 . ILE A 1 310 ? 8.750 -7.867 -13.814 1.00 12.63 ? 345 ILE A CD1 1 ATOM 2476 N N . ASP A 1 311 ? 9.996 -5.659 -18.652 1.00 12.97 ? 346 ASP A N 1 ATOM 2477 C CA . ASP A 1 311 ? 9.628 -4.909 -19.834 1.00 12.28 ? 346 ASP A CA 1 ATOM 2478 C C . ASP A 1 311 ? 10.602 -5.281 -20.970 1.00 11.97 ? 346 ASP A C 1 ATOM 2479 O O . ASP A 1 311 ? 10.169 -5.608 -22.064 1.00 10.21 ? 346 ASP A O 1 ATOM 2480 C CB . ASP A 1 311 ? 9.774 -3.392 -19.508 1.00 13.22 ? 346 ASP A CB 1 ATOM 2481 C CG . ASP A 1 311 ? 9.239 -2.524 -20.625 1.00 15.31 ? 346 ASP A CG 1 ATOM 2482 O OD1 . ASP A 1 311 ? 8.213 -2.875 -21.305 1.00 15.60 ? 346 ASP A OD1 1 ATOM 2483 O OD2 . ASP A 1 311 ? 9.908 -1.481 -20.869 1.00 19.98 ? 346 ASP A OD2 1 ATOM 2484 N N . ASN A 1 312 ? 11.903 -5.331 -20.706 1.00 13.13 ? 347 ASN A N 1 ATOM 2485 C CA . ASN A 1 312 ? 12.821 -5.773 -21.773 1.00 12.65 ? 347 ASN A CA 1 ATOM 2486 C C . ASN A 1 312 ? 12.430 -7.157 -22.274 1.00 12.74 ? 347 ASN A C 1 ATOM 2487 O O . ASN A 1 312 ? 12.390 -7.417 -23.468 1.00 12.60 ? 347 ASN A O 1 ATOM 2488 C CB . ASN A 1 312 ? 14.265 -5.782 -21.298 1.00 12.79 ? 347 ASN A CB 1 ATOM 2489 C CG . ASN A 1 312 ? 14.735 -4.411 -20.955 1.00 12.00 ? 347 ASN A CG 1 ATOM 2490 O OD1 . ASN A 1 312 ? 14.210 -3.435 -21.463 1.00 17.36 ? 347 ASN A OD1 1 ATOM 2491 N ND2 . ASN A 1 312 ? 15.648 -4.310 -20.022 1.00 11.89 ? 347 ASN A ND2 1 ATOM 2492 N N . LEU A 1 313 ? 12.141 -8.054 -21.351 1.00 11.50 ? 348 LEU A N 1 ATOM 2493 C CA . LEU A 1 313 ? 11.950 -9.413 -21.747 1.00 12.02 ? 348 LEU A CA 1 ATOM 2494 C C . LEU A 1 313 ? 10.600 -9.511 -22.457 1.00 11.39 ? 348 LEU A C 1 ATOM 2495 O O . LEU A 1 313 ? 10.434 -10.310 -23.376 1.00 12.35 ? 348 LEU A O 1 ATOM 2496 C CB . LEU A 1 313 ? 11.976 -10.288 -20.505 1.00 9.91 ? 348 LEU A CB 1 ATOM 2497 C CG . LEU A 1 313 ? 13.420 -10.578 -19.979 1.00 13.70 ? 348 LEU A CG 1 ATOM 2498 C CD1 . LEU A 1 313 ? 13.286 -11.287 -18.576 1.00 13.06 ? 348 LEU A CD1 1 ATOM 2499 C CD2 . LEU A 1 313 ? 14.220 -11.443 -20.903 1.00 11.47 ? 348 LEU A CD2 1 ATOM 2500 N N . ASN A 1 314 ? 9.646 -8.718 -22.013 1.00 11.41 ? 349 ASN A N 1 ATOM 2501 C CA . ASN A 1 314 ? 8.388 -8.599 -22.804 1.00 9.05 ? 349 ASN A CA 1 ATOM 2502 C C . ASN A 1 314 ? 8.697 -8.229 -24.224 1.00 12.13 ? 349 ASN A C 1 ATOM 2503 O O . ASN A 1 314 ? 8.181 -8.869 -25.127 1.00 12.50 ? 349 ASN A O 1 ATOM 2504 C CB . ASN A 1 314 ? 7.460 -7.554 -22.264 1.00 9.45 ? 349 ASN A CB 1 ATOM 2505 C CG . ASN A 1 314 ? 6.700 -8.039 -21.053 1.00 11.44 ? 349 ASN A CG 1 ATOM 2506 O OD1 . ASN A 1 314 ? 6.620 -9.217 -20.872 1.00 11.91 ? 349 ASN A OD1 1 ATOM 2507 N ND2 . ASN A 1 314 ? 6.199 -7.142 -20.227 1.00 15.69 ? 349 ASN A ND2 1 ATOM 2508 N N . LYS A 1 315 ? 9.557 -7.217 -24.414 1.00 12.63 ? 350 LYS A N 1 ATOM 2509 C CA . LYS A 1 315 ? 9.873 -6.803 -25.831 1.00 13.88 ? 350 LYS A CA 1 ATOM 2510 C C . LYS A 1 315 ? 10.488 -7.948 -26.591 1.00 12.90 ? 350 LYS A C 1 ATOM 2511 O O . LYS A 1 315 ? 10.082 -8.279 -27.718 1.00 13.88 ? 350 LYS A O 1 ATOM 2512 C CB . LYS A 1 315 ? 10.783 -5.601 -25.828 1.00 12.99 ? 350 LYS A CB 1 ATOM 2513 C CG . LYS A 1 315 ? 10.000 -4.333 -25.360 1.00 16.72 ? 350 LYS A CG 1 ATOM 2514 C CD . LYS A 1 315 ? 10.908 -3.186 -24.903 1.00 16.58 ? 350 LYS A CD 1 ATOM 2515 C CE . LYS A 1 315 ? 10.096 -1.949 -24.601 1.00 13.71 ? 350 LYS A CE 1 ATOM 2516 N NZ . LYS A 1 315 ? 11.062 -0.797 -24.230 1.00 14.64 ? 350 LYS A NZ 1 ATOM 2517 N N . ILE A 1 316 ? 11.485 -8.581 -25.960 1.00 13.36 ? 351 ILE A N 1 ATOM 2518 C CA . ILE A 1 316 ? 12.236 -9.656 -26.569 1.00 12.96 ? 351 ILE A CA 1 ATOM 2519 C C . ILE A 1 316 ? 11.355 -10.808 -26.966 1.00 12.34 ? 351 ILE A C 1 ATOM 2520 O O . ILE A 1 316 ? 11.421 -11.333 -28.109 1.00 10.89 ? 351 ILE A O 1 ATOM 2521 C CB . ILE A 1 316 ? 13.347 -10.109 -25.603 1.00 15.18 ? 351 ILE A CB 1 ATOM 2522 C CG1 . ILE A 1 316 ? 14.400 -9.024 -25.474 1.00 14.08 ? 351 ILE A CG1 1 ATOM 2523 C CG2 . ILE A 1 316 ? 14.017 -11.345 -26.165 1.00 15.21 ? 351 ILE A CG2 1 ATOM 2524 C CD1 . ILE A 1 316 ? 15.343 -9.149 -24.331 1.00 10.93 ? 351 ILE A CD1 1 ATOM 2525 N N . ILE A 1 317 ? 10.528 -11.252 -26.001 1.00 12.21 ? 352 ILE A N 1 ATOM 2526 C CA . ILE A 1 317 ? 9.644 -12.365 -26.251 1.00 11.06 ? 352 ILE A CA 1 ATOM 2527 C C . ILE A 1 317 ? 8.572 -12.072 -27.266 1.00 11.92 ? 352 ILE A C 1 ATOM 2528 O O . ILE A 1 317 ? 8.315 -12.891 -28.132 1.00 11.74 ? 352 ILE A O 1 ATOM 2529 C CB . ILE A 1 317 ? 9.112 -12.927 -24.931 1.00 9.57 ? 352 ILE A CB 1 ATOM 2530 C CG1 . ILE A 1 317 ? 10.322 -13.474 -24.184 1.00 9.86 ? 352 ILE A CG1 1 ATOM 2531 C CG2 . ILE A 1 317 ? 8.116 -14.029 -25.143 1.00 9.75 ? 352 ILE A CG2 1 ATOM 2532 C CD1 . ILE A 1 317 ? 9.999 -13.708 -22.649 1.00 12.38 ? 352 ILE A CD1 1 ATOM 2533 N N . GLN A 1 318 ? 8.042 -10.865 -27.225 1.00 11.65 ? 353 GLN A N 1 ATOM 2534 C CA . GLN A 1 318 ? 7.022 -10.473 -28.154 1.00 11.42 ? 353 GLN A CA 1 ATOM 2535 C C . GLN A 1 318 ? 7.583 -10.471 -29.569 1.00 11.96 ? 353 GLN A C 1 ATOM 2536 O O . GLN A 1 318 ? 6.982 -10.982 -30.480 1.00 11.66 ? 353 GLN A O 1 ATOM 2537 C CB . GLN A 1 318 ? 6.619 -9.126 -27.749 1.00 11.36 ? 353 GLN A CB 1 ATOM 2538 C CG . GLN A 1 318 ? 5.514 -9.192 -26.612 1.00 10.76 ? 353 GLN A CG 1 ATOM 2539 C CD . GLN A 1 318 ? 5.150 -7.842 -26.130 1.00 13.16 ? 353 GLN A CD 1 ATOM 2540 O OE1 . GLN A 1 318 ? 5.148 -6.865 -26.903 1.00 14.02 ? 353 GLN A OE1 1 ATOM 2541 N NE2 . GLN A 1 318 ? 4.814 -7.741 -24.844 1.00 13.36 ? 353 GLN A NE2 1 ATOM 2542 N N . VAL A 1 319 ? 8.799 -9.961 -29.713 1.00 12.48 ? 354 VAL A N 1 ATOM 2543 C CA . VAL A 1 319 ? 9.502 -10.032 -31.007 1.00 12.87 ? 354 VAL A CA 1 ATOM 2544 C C . VAL A 1 319 ? 9.663 -11.506 -31.425 1.00 14.44 ? 354 VAL A C 1 ATOM 2545 O O . VAL A 1 319 ? 9.327 -11.906 -32.538 1.00 15.97 ? 354 VAL A O 1 ATOM 2546 C CB . VAL A 1 319 ? 10.882 -9.346 -30.906 1.00 12.27 ? 354 VAL A CB 1 ATOM 2547 C CG1 . VAL A 1 319 ? 11.697 -9.694 -32.193 1.00 11.93 ? 354 VAL A CG1 1 ATOM 2548 C CG2 . VAL A 1 319 ? 10.732 -7.837 -30.729 1.00 10.19 ? 354 VAL A CG2 1 ATOM 2549 N N . PHE A 1 320 ? 10.152 -12.339 -30.509 1.00 14.23 ? 355 PHE A N 1 ATOM 2550 C CA . PHE A 1 320 ? 10.383 -13.742 -30.790 1.00 14.56 ? 355 PHE A CA 1 ATOM 2551 C C . PHE A 1 320 ? 9.109 -14.336 -31.357 1.00 14.57 ? 355 PHE A C 1 ATOM 2552 O O . PHE A 1 320 ? 9.098 -15.002 -32.372 1.00 13.40 ? 355 PHE A O 1 ATOM 2553 C CB . PHE A 1 320 ? 10.795 -14.491 -29.493 1.00 14.76 ? 355 PHE A CB 1 ATOM 2554 C CG . PHE A 1 320 ? 11.089 -15.932 -29.723 1.00 13.36 ? 355 PHE A CG 1 ATOM 2555 C CD1 . PHE A 1 320 ? 12.355 -16.327 -30.043 1.00 13.17 ? 355 PHE A CD1 1 ATOM 2556 C CD2 . PHE A 1 320 ? 10.072 -16.894 -29.704 1.00 15.49 ? 355 PHE A CD2 1 ATOM 2557 C CE1 . PHE A 1 320 ? 12.622 -17.674 -30.269 1.00 12.93 ? 355 PHE A CE1 1 ATOM 2558 C CE2 . PHE A 1 320 ? 10.358 -18.253 -29.904 1.00 17.33 ? 355 PHE A CE2 1 ATOM 2559 C CZ . PHE A 1 320 ? 11.637 -18.621 -30.222 1.00 13.87 ? 355 PHE A CZ 1 ATOM 2560 N N . VAL A 1 321 ? 8.011 -14.037 -30.686 1.00 14.30 ? 356 VAL A N 1 ATOM 2561 C CA . VAL A 1 321 ? 6.735 -14.641 -31.030 1.00 13.42 ? 356 VAL A CA 1 ATOM 2562 C C . VAL A 1 321 ? 6.264 -14.139 -32.405 1.00 13.64 ? 356 VAL A C 1 ATOM 2563 O O . VAL A 1 321 ? 5.873 -14.930 -33.260 1.00 14.64 ? 356 VAL A O 1 ATOM 2564 C CB . VAL A 1 321 ? 5.706 -14.432 -29.922 1.00 13.54 ? 356 VAL A CB 1 ATOM 2565 C CG1 . VAL A 1 321 ? 4.251 -14.809 -30.415 1.00 14.74 ? 356 VAL A CG1 1 ATOM 2566 C CG2 . VAL A 1 321 ? 6.129 -15.376 -28.740 1.00 12.74 ? 356 VAL A CG2 1 ATOM 2567 N N . LEU A 1 322 ? 6.277 -12.843 -32.590 1.00 14.18 ? 357 LEU A N 1 ATOM 2568 C CA . LEU A 1 322 ? 5.922 -12.302 -33.937 1.00 14.04 ? 357 LEU A CA 1 ATOM 2569 C C . LEU A 1 322 ? 6.770 -12.895 -35.018 1.00 15.83 ? 357 LEU A C 1 ATOM 2570 O O . LEU A 1 322 ? 6.267 -13.266 -36.068 1.00 16.00 ? 357 LEU A O 1 ATOM 2571 C CB . LEU A 1 322 ? 6.076 -10.806 -33.941 1.00 12.65 ? 357 LEU A CB 1 ATOM 2572 C CG . LEU A 1 322 ? 5.005 -10.106 -33.136 1.00 14.50 ? 357 LEU A CG 1 ATOM 2573 C CD1 . LEU A 1 322 ? 5.186 -8.604 -33.327 1.00 22.09 ? 357 LEU A CD1 1 ATOM 2574 C CD2 . LEU A 1 322 ? 3.568 -10.480 -33.583 1.00 16.47 ? 357 LEU A CD2 1 ATOM 2575 N N . GLU A 1 323 ? 8.059 -12.998 -34.761 1.00 16.14 ? 358 GLU A N 1 ATOM 2576 C CA . GLU A 1 323 ? 8.942 -13.539 -35.749 1.00 18.81 ? 358 GLU A CA 1 ATOM 2577 C C . GLU A 1 323 ? 8.680 -14.978 -35.986 1.00 20.03 ? 358 GLU A C 1 ATOM 2578 O O . GLU A 1 323 ? 8.664 -15.391 -37.133 1.00 19.97 ? 358 GLU A O 1 ATOM 2579 C CB . GLU A 1 323 ? 10.404 -13.303 -35.387 1.00 18.27 ? 358 GLU A CB 1 ATOM 2580 C CG . GLU A 1 323 ? 10.746 -11.816 -35.367 1.00 18.26 ? 358 GLU A CG 1 ATOM 2581 C CD . GLU A 1 323 ? 12.242 -11.614 -35.216 1.00 21.49 ? 358 GLU A CD 1 ATOM 2582 O OE1 . GLU A 1 323 ? 12.882 -12.524 -34.655 1.00 21.43 ? 358 GLU A OE1 1 ATOM 2583 O OE2 . GLU A 1 323 ? 12.753 -10.556 -35.637 1.00 24.66 ? 358 GLU A OE2 1 ATOM 2584 N N . TYR A 1 324 ? 8.434 -15.764 -34.918 1.00 17.88 ? 359 TYR A N 1 ATOM 2585 C CA . TYR A 1 324 ? 8.081 -17.131 -35.106 1.00 18.60 ? 359 TYR A CA 1 ATOM 2586 C C . TYR A 1 324 ? 6.841 -17.313 -35.946 1.00 18.24 ? 359 TYR A C 1 ATOM 2587 O O . TYR A 1 324 ? 6.801 -18.202 -36.782 1.00 19.86 ? 359 TYR A O 1 ATOM 2588 C CB . TYR A 1 324 ? 7.885 -17.853 -33.733 1.00 15.73 ? 359 TYR A CB 1 ATOM 2589 C CG . TYR A 1 324 ? 7.905 -19.336 -33.880 1.00 19.55 ? 359 TYR A CG 1 ATOM 2590 C CD1 . TYR A 1 324 ? 9.063 -20.076 -33.524 1.00 18.58 ? 359 TYR A CD1 1 ATOM 2591 C CD2 . TYR A 1 324 ? 6.806 -20.027 -34.339 1.00 12.58 ? 359 TYR A CD2 1 ATOM 2592 C CE1 . TYR A 1 324 ? 9.093 -21.416 -33.643 1.00 16.33 ? 359 TYR A CE1 1 ATOM 2593 C CE2 . TYR A 1 324 ? 6.843 -21.425 -34.425 1.00 16.58 ? 359 TYR A CE2 1 ATOM 2594 C CZ . TYR A 1 324 ? 8.007 -22.081 -34.120 1.00 15.33 ? 359 TYR A CZ 1 ATOM 2595 O OH . TYR A 1 324 ? 8.095 -23.432 -34.217 1.00 20.65 ? 359 TYR A OH 1 ATOM 2596 N N . LEU A 1 325 ? 5.852 -16.459 -35.723 1.00 19.94 ? 360 LEU A N 1 ATOM 2597 C CA . LEU A 1 325 ? 4.548 -16.572 -36.338 1.00 19.48 ? 360 LEU A CA 1 ATOM 2598 C C . LEU A 1 325 ? 4.540 -15.853 -37.693 1.00 20.44 ? 360 LEU A C 1 ATOM 2599 O O . LEU A 1 325 ? 3.531 -15.863 -38.377 1.00 22.09 ? 360 LEU A O 1 ATOM 2600 C CB . LEU A 1 325 ? 3.478 -15.957 -35.458 1.00 18.00 ? 360 LEU A CB 1 ATOM 2601 C CG . LEU A 1 325 ? 3.216 -16.856 -34.234 1.00 17.20 ? 360 LEU A CG 1 ATOM 2602 C CD1 . LEU A 1 325 ? 2.250 -16.212 -33.330 1.00 12.44 ? 360 LEU A CD1 1 ATOM 2603 C CD2 . LEU A 1 325 ? 2.623 -18.098 -34.756 1.00 15.63 ? 360 LEU A CD2 1 ATOM 2604 N N . HIS A 1 326 ? 5.623 -15.193 -38.040 1.00 21.23 ? 361 HIS A N 1 ATOM 2605 C CA . HIS A 1 326 ? 5.656 -14.431 -39.294 1.00 23.31 ? 361 HIS A CA 1 ATOM 2606 C C . HIS A 1 326 ? 4.608 -13.318 -39.294 1.00 24.04 ? 361 HIS A C 1 ATOM 2607 O O . HIS A 1 326 ? 3.863 -13.118 -40.274 1.00 25.39 ? 361 HIS A O 1 ATOM 2608 C CB . HIS A 1 326 ? 5.495 -15.371 -40.513 1.00 23.58 ? 361 HIS A CB 1 ATOM 2609 C CG . HIS A 1 326 ? 6.679 -16.262 -40.758 1.00 27.90 ? 361 HIS A CG 1 ATOM 2610 N ND1 . HIS A 1 326 ? 7.061 -16.664 -42.026 1.00 31.29 ? 361 HIS A ND1 1 ATOM 2611 C CD2 . HIS A 1 326 ? 7.552 -16.846 -39.904 1.00 27.70 ? 361 HIS A CD2 1 ATOM 2612 C CE1 . HIS A 1 326 ? 8.111 -17.464 -41.935 1.00 33.72 ? 361 HIS A CE1 1 ATOM 2613 N NE2 . HIS A 1 326 ? 8.424 -17.598 -40.656 1.00 31.04 ? 361 HIS A NE2 1 ATOM 2614 N N . LEU A 1 327 ? 4.562 -12.577 -38.194 1.00 21.24 ? 362 LEU A N 1 ATOM 2615 C CA . LEU A 1 327 ? 3.607 -11.539 -38.050 1.00 22.28 ? 362 LEU A CA 1 ATOM 2616 C C . LEU A 1 327 ? 4.345 -10.265 -37.885 1.00 22.29 ? 362 LEU A C 1 ATOM 2617 O O . LEU A 1 327 ? 3.677 -9.235 -37.920 1.00 25.48 ? 362 LEU A O 1 ATOM 2618 C CB . LEU A 1 327 ? 2.762 -11.743 -36.809 1.00 20.33 ? 362 LEU A CB 1 ATOM 2619 C CG . LEU A 1 327 ? 1.753 -12.856 -36.970 1.00 19.87 ? 362 LEU A CG 1 ATOM 2620 C CD1 . LEU A 1 327 ? 0.981 -13.074 -35.610 1.00 20.88 ? 362 LEU A CD1 1 ATOM 2621 C CD2 . LEU A 1 327 ? 0.747 -12.406 -38.080 1.00 20.09 ? 362 LEU A CD2 1 ATOM 2622 O OXT . LEU A 1 327 ? 5.548 -10.243 -37.663 1.00 22.80 ? 362 LEU A OXT 1 HETATM 2623 ZN ZN . ZN B 2 . ? 8.674 -22.226 -7.518 1.00 11.99 ? 601 ZN A ZN 1 HETATM 2624 C C1 . NAG C 3 . ? 9.886 -3.103 -42.162 1.00 49.91 ? 701 NAG A C1 1 HETATM 2625 C C2 . NAG C 3 . ? 9.904 -2.009 -43.255 1.00 54.31 ? 701 NAG A C2 1 HETATM 2626 C C3 . NAG C 3 . ? 8.514 -1.482 -43.552 1.00 53.72 ? 701 NAG A C3 1 HETATM 2627 C C4 . NAG C 3 . ? 7.577 -2.656 -43.801 1.00 53.19 ? 701 NAG A C4 1 HETATM 2628 C C5 . NAG C 3 . ? 7.671 -3.512 -42.497 1.00 51.79 ? 701 NAG A C5 1 HETATM 2629 C C6 . NAG C 3 . ? 6.629 -4.578 -42.225 1.00 49.63 ? 701 NAG A C6 1 HETATM 2630 C C7 . NAG C 3 . ? 11.955 -0.799 -43.582 1.00 58.56 ? 701 NAG A C7 1 HETATM 2631 C C8 . NAG C 3 . ? 12.859 0.348 -43.219 1.00 58.35 ? 701 NAG A C8 1 HETATM 2632 N N2 . NAG C 3 . ? 10.787 -0.897 -42.933 1.00 55.84 ? 701 NAG A N2 1 HETATM 2633 O O3 . NAG C 3 . ? 8.650 -0.605 -44.643 1.00 55.21 ? 701 NAG A O3 1 HETATM 2634 O O4 . NAG C 3 . ? 6.301 -2.120 -44.095 1.00 57.75 ? 701 NAG A O4 1 HETATM 2635 O O5 . NAG C 3 . ? 8.944 -4.114 -42.404 1.00 48.38 ? 701 NAG A O5 1 HETATM 2636 O O6 . NAG C 3 . ? 6.870 -5.657 -43.073 1.00 49.90 ? 701 NAG A O6 1 HETATM 2637 O O7 . NAG C 3 . ? 12.296 -1.604 -44.458 1.00 58.55 ? 701 NAG A O7 1 HETATM 2638 C C1 . NAG D 3 . ? 5.530 -2.985 -44.954 1.00 63.72 ? 702 NAG A C1 1 HETATM 2639 C C2 . NAG D 3 . ? 4.074 -2.993 -44.494 1.00 66.25 ? 702 NAG A C2 1 HETATM 2640 C C3 . NAG D 3 . ? 3.282 -3.934 -45.397 1.00 67.35 ? 702 NAG A C3 1 HETATM 2641 C C4 . NAG D 3 . ? 3.295 -3.372 -46.832 1.00 68.56 ? 702 NAG A C4 1 HETATM 2642 C C5 . NAG D 3 . ? 4.779 -3.394 -47.241 1.00 67.11 ? 702 NAG A C5 1 HETATM 2643 C C6 . NAG D 3 . ? 4.995 -2.914 -48.673 1.00 66.94 ? 702 NAG A C6 1 HETATM 2644 C C7 . NAG D 3 . ? 3.594 -2.595 -42.087 1.00 68.47 ? 702 NAG A C7 1 HETATM 2645 C C8 . NAG D 3 . ? 3.476 -3.264 -40.740 1.00 68.48 ? 702 NAG A C8 1 HETATM 2646 N N2 . NAG D 3 . ? 3.915 -3.403 -43.111 1.00 68.16 ? 702 NAG A N2 1 HETATM 2647 O O3 . NAG D 3 . ? 2.006 -4.100 -44.826 1.00 68.38 ? 702 NAG A O3 1 HETATM 2648 O O4 . NAG D 3 . ? 2.477 -4.052 -47.796 1.00 71.51 ? 702 NAG A O4 1 HETATM 2649 O O5 . NAG D 3 . ? 5.592 -2.627 -46.336 1.00 65.83 ? 702 NAG A O5 1 HETATM 2650 O O6 . NAG D 3 . ? 6.266 -2.306 -48.763 1.00 66.08 ? 702 NAG A O6 1 HETATM 2651 O O7 . NAG D 3 . ? 3.413 -1.381 -42.182 1.00 67.27 ? 702 NAG A O7 1 HETATM 2652 C C1 . NAG E 3 . ? 1.087 -3.633 -47.728 1.00 74.69 ? 703 NAG A C1 1 HETATM 2653 C C2 . NAG E 3 . ? 0.287 -3.750 -49.047 1.00 75.84 ? 703 NAG A C2 1 HETATM 2654 C C3 . NAG E 3 . ? -1.136 -3.203 -48.807 1.00 75.43 ? 703 NAG A C3 1 HETATM 2655 C C4 . NAG E 3 . ? -1.799 -3.672 -47.491 1.00 75.47 ? 703 NAG A C4 1 HETATM 2656 C C5 . NAG E 3 . ? -0.833 -3.679 -46.299 1.00 75.77 ? 703 NAG A C5 1 HETATM 2657 C C6 . NAG E 3 . ? -1.443 -4.340 -45.055 1.00 75.87 ? 703 NAG A C6 1 HETATM 2658 C C7 . NAG E 3 . ? 0.897 -3.502 -51.486 1.00 79.38 ? 703 NAG A C7 1 HETATM 2659 C C8 . NAG E 3 . ? 1.621 -2.678 -52.522 1.00 78.64 ? 703 NAG A C8 1 HETATM 2660 N N2 . NAG E 3 . ? 0.928 -3.086 -50.193 1.00 77.96 ? 703 NAG A N2 1 HETATM 2661 O O3 . NAG E 3 . ? -1.965 -3.566 -49.888 1.00 75.68 ? 703 NAG A O3 1 HETATM 2662 O O4 . NAG E 3 . ? -2.925 -2.882 -47.156 1.00 74.90 ? 703 NAG A O4 1 HETATM 2663 O O5 . NAG E 3 . ? 0.370 -4.323 -46.700 1.00 76.08 ? 703 NAG A O5 1 HETATM 2664 O O6 . NAG E 3 . ? -0.536 -4.339 -43.970 1.00 75.77 ? 703 NAG A O6 1 HETATM 2665 O O7 . NAG E 3 . ? 0.318 -4.518 -51.877 1.00 80.06 ? 703 NAG A O7 1 HETATM 2666 C CAA . PBD F 4 . ? 20.537 -26.629 -13.337 1.00 32.82 ? 999 PBD A CAA 1 HETATM 2667 C CAB . PBD F 4 . ? 19.743 -23.527 -10.762 1.00 16.57 ? 999 PBD A CAB 1 HETATM 2668 S SAC . PBD F 4 . ? 14.285 -27.531 -7.187 1.00 33.53 ? 999 PBD A SAC 1 HETATM 2669 C CAD . PBD F 4 . ? 9.900 -22.785 -10.215 1.00 15.15 ? 999 PBD A CAD 1 HETATM 2670 C CAE . PBD F 4 . ? 17.688 -28.163 -9.765 1.00 23.84 ? 999 PBD A CAE 1 HETATM 2671 C CAF . PBD F 4 . ? 18.558 -28.281 -10.812 1.00 24.95 ? 999 PBD A CAF 1 HETATM 2672 C CAG . PBD F 4 . ? 10.571 -23.810 -10.846 1.00 14.25 ? 999 PBD A CAG 1 HETATM 2673 C CAH . PBD F 4 . ? 10.112 -24.418 -8.815 1.00 14.14 ? 999 PBD A CAH 1 HETATM 2674 C CAI . PBD F 4 . ? 18.162 -25.790 -9.517 1.00 23.08 ? 999 PBD A CAI 1 HETATM 2675 C CAJ . PBD F 4 . ? 12.819 -26.051 -9.792 1.00 13.84 ? 999 PBD A CAJ 1 HETATM 2676 C CAK . PBD F 4 . ? 13.361 -27.484 -9.828 1.00 15.87 ? 999 PBD A CAK 1 HETATM 2677 C CAL . PBD F 4 . ? 11.317 -26.120 -10.067 1.00 12.18 ? 999 PBD A CAL 1 HETATM 2678 N NAM . PBD F 4 . ? 9.604 -23.191 -8.951 1.00 14.58 ? 999 PBD A NAM 1 HETATM 2679 N NAN . PBD F 4 . ? 14.795 -27.499 -9.615 1.00 20.26 ? 999 PBD A NAN 1 HETATM 2680 N NAO . PBD F 4 . ? 16.579 -27.081 -8.154 1.00 24.58 ? 999 PBD A NAO 1 HETATM 2681 O OAP . PBD F 4 . ? 20.095 -27.501 -12.270 1.00 27.49 ? 999 PBD A OAP 1 HETATM 2682 O OAQ . PBD F 4 . ? 19.829 -24.894 -11.084 1.00 19.21 ? 999 PBD A OAQ 1 HETATM 2683 C CAR . PBD F 4 . ? 15.285 -27.365 -8.390 1.00 25.98 ? 999 PBD A CAR 1 HETATM 2684 C CAS . PBD F 4 . ? 17.479 -26.966 -9.131 1.00 23.43 ? 999 PBD A CAS 1 HETATM 2685 C CAT . PBD F 4 . ? 19.256 -27.183 -11.224 1.00 24.63 ? 999 PBD A CAT 1 HETATM 2686 C CAU . PBD F 4 . ? 19.064 -25.924 -10.604 1.00 21.64 ? 999 PBD A CAU 1 HETATM 2687 N NAV . PBD F 4 . ? 10.706 -24.781 -9.936 1.00 14.19 ? 999 PBD A NAV 1 HETATM 2688 S S . SO4 G 5 . ? -5.942 -2.951 -24.930 1.00 46.42 ? 1 SO4 A S 1 HETATM 2689 O O1 . SO4 G 5 . ? -4.634 -2.351 -25.184 1.00 41.83 ? 1 SO4 A O1 1 HETATM 2690 O O2 . SO4 G 5 . ? -6.865 -2.222 -25.803 1.00 42.34 ? 1 SO4 A O2 1 HETATM 2691 O O3 . SO4 G 5 . ? -6.057 -4.420 -25.193 1.00 40.84 ? 1 SO4 A O3 1 HETATM 2692 O O4 . SO4 G 5 . ? -6.241 -2.727 -23.491 1.00 42.74 ? 1 SO4 A O4 1 HETATM 2693 C C . ACT H 6 . ? -2.720 -38.994 -40.212 1.00 31.91 ? 2 ACT A C 1 HETATM 2694 O O . ACT H 6 . ? -1.603 -39.472 -39.869 1.00 30.40 ? 2 ACT A O 1 HETATM 2695 O OXT . ACT H 6 . ? -3.803 -39.507 -39.804 1.00 31.55 ? 2 ACT A OXT 1 HETATM 2696 C CH3 . ACT H 6 . ? -2.818 -37.755 -41.069 1.00 33.82 ? 2 ACT A CH3 1 HETATM 2697 O O . HOH I 7 . ? 6.954 -23.695 -41.245 1.00 27.02 ? 4 HOH A O 1 HETATM 2698 O O . HOH I 7 . ? 2.832 -4.545 -30.425 1.00 16.80 ? 5 HOH A O 1 HETATM 2699 O O . HOH I 7 . ? -12.624 -10.547 -32.260 1.00 30.91 ? 6 HOH A O 1 HETATM 2700 O O . HOH I 7 . ? 20.254 -15.047 -8.554 1.00 25.98 ? 7 HOH A O 1 HETATM 2701 O O . HOH I 7 . ? 3.809 -28.638 2.805 1.00 29.63 ? 8 HOH A O 1 HETATM 2702 O O . HOH I 7 . ? 18.351 -12.355 -9.584 1.00 26.89 ? 9 HOH A O 1 HETATM 2703 O O . HOH I 7 . ? 10.909 -9.407 3.936 1.00 22.97 ? 10 HOH A O 1 HETATM 2704 O O . HOH I 7 . ? 8.322 -39.087 -6.416 1.00 25.90 ? 14 HOH A O 1 HETATM 2705 O O . HOH I 7 . ? 3.265 -10.210 -1.521 1.00 15.84 ? 15 HOH A O 1 HETATM 2706 O O . HOH I 7 . ? 21.871 -7.552 -17.055 1.00 38.34 ? 16 HOH A O 1 HETATM 2707 O O . HOH I 7 . ? -8.946 -26.800 -9.937 1.00 22.80 ? 17 HOH A O 1 HETATM 2708 O O . HOH I 7 . ? -1.883 -12.686 -40.569 1.00 36.84 ? 18 HOH A O 1 HETATM 2709 O O . HOH I 7 . ? 1.292 -9.516 6.305 1.00 28.26 ? 19 HOH A O 1 HETATM 2710 O O . HOH I 7 . ? 11.442 -24.907 -2.042 1.00 18.71 ? 20 HOH A O 1 HETATM 2711 O O . HOH I 7 . ? 16.242 -8.567 -8.187 1.00 21.10 ? 21 HOH A O 1 HETATM 2712 O O . HOH I 7 . ? 1.818 -11.470 2.115 1.00 26.47 ? 22 HOH A O 1 HETATM 2713 O O . HOH I 7 . ? -5.747 -17.609 -1.920 1.00 15.09 ? 23 HOH A O 1 HETATM 2714 O O . HOH I 7 . ? 19.949 3.328 -32.578 1.00 34.89 ? 24 HOH A O 1 HETATM 2715 O O . HOH I 7 . ? 2.175 -18.858 1.782 1.00 23.79 ? 25 HOH A O 1 HETATM 2716 O O . HOH I 7 . ? -6.424 -25.790 -8.522 1.00 16.84 ? 27 HOH A O 1 HETATM 2717 O O . HOH I 7 . ? 16.482 -21.289 -22.483 1.00 20.73 ? 28 HOH A O 1 HETATM 2718 O O . HOH I 7 . ? 3.588 -9.053 -3.882 1.00 18.72 ? 29 HOH A O 1 HETATM 2719 O O . HOH I 7 . ? -1.190 -27.795 -32.469 1.00 21.74 ? 33 HOH A O 1 HETATM 2720 O O . HOH I 7 . ? 15.982 -23.808 -23.357 1.00 12.31 ? 35 HOH A O 1 HETATM 2721 O O . HOH I 7 . ? -12.366 -30.237 -9.508 1.00 27.32 ? 185 HOH A O 1 HETATM 2722 O O . HOH I 7 . ? 11.024 -38.837 -4.462 1.00 38.97 ? 363 HOH A O 1 HETATM 2723 O O . HOH I 7 . ? 2.307 -26.134 -3.908 1.00 18.41 ? 364 HOH A O 1 HETATM 2724 O O . HOH I 7 . ? -1.112 -34.720 -12.461 1.00 21.50 ? 365 HOH A O 1 HETATM 2725 O O . HOH I 7 . ? 6.826 -5.483 -0.147 1.00 34.16 ? 366 HOH A O 1 HETATM 2726 O O . HOH I 7 . ? 2.761 -5.606 -32.693 1.00 41.36 ? 367 HOH A O 1 HETATM 2727 O O . HOH I 7 . ? 17.010 -13.999 -11.859 1.00 19.66 ? 368 HOH A O 1 HETATM 2728 O O . HOH I 7 . ? 15.343 -31.293 -26.458 1.00 20.42 ? 369 HOH A O 1 HETATM 2729 O O . HOH I 7 . ? 5.711 -37.501 -35.110 1.00 50.30 ? 370 HOH A O 1 HETATM 2730 O O . HOH I 7 . ? -8.137 -12.253 -5.420 1.00 32.87 ? 371 HOH A O 1 HETATM 2731 O O . HOH I 7 . ? -7.702 -6.522 -33.861 1.00 39.84 ? 372 HOH A O 1 HETATM 2732 O O . HOH I 7 . ? 23.127 -12.428 -31.293 1.00 26.51 ? 373 HOH A O 1 HETATM 2733 O O . HOH I 7 . ? 25.333 -19.421 -12.761 1.00 26.60 ? 374 HOH A O 1 HETATM 2734 O O . HOH I 7 . ? -9.429 -41.003 -24.978 1.00 21.91 ? 375 HOH A O 1 HETATM 2735 O O . HOH I 7 . ? -11.090 -11.494 -12.714 1.00 26.47 ? 376 HOH A O 1 HETATM 2736 O O . HOH I 7 . ? -11.968 -32.488 -11.335 1.00 29.84 ? 377 HOH A O 1 HETATM 2737 O O . HOH I 7 . ? 7.061 -38.452 -13.272 1.00 32.20 ? 378 HOH A O 1 HETATM 2738 O O . HOH I 7 . ? -6.863 -14.980 -2.008 1.00 34.19 ? 379 HOH A O 1 HETATM 2739 O O . HOH I 7 . ? 8.437 -7.411 -40.900 1.00 38.71 ? 380 HOH A O 1 HETATM 2740 O O . HOH I 7 . ? 19.883 -13.471 -39.443 1.00 45.31 ? 381 HOH A O 1 HETATM 2741 O O . HOH I 7 . ? -14.831 -19.608 -15.378 1.00 32.78 ? 382 HOH A O 1 HETATM 2742 O O . HOH I 7 . ? 22.465 -18.374 -35.289 1.00 42.07 ? 383 HOH A O 1 HETATM 2743 O O . HOH I 7 . ? 6.479 -39.877 -20.711 1.00 37.77 ? 384 HOH A O 1 HETATM 2744 O O . HOH I 7 . ? 15.340 -37.328 -8.506 1.00 47.85 ? 385 HOH A O 1 HETATM 2745 O O . HOH I 7 . ? 2.974 -39.803 -10.176 1.00 31.04 ? 386 HOH A O 1 HETATM 2746 O O . HOH I 7 . ? 24.291 -11.589 -28.778 1.00 49.37 ? 387 HOH A O 1 HETATM 2747 O O . HOH I 7 . ? -2.229 -5.223 -30.906 1.00 21.60 ? 388 HOH A O 1 HETATM 2748 O O . HOH I 7 . ? -5.073 -37.188 -12.499 1.00 31.62 ? 389 HOH A O 1 HETATM 2749 O O . HOH I 7 . ? 1.603 -40.445 -12.006 1.00 47.50 ? 390 HOH A O 1 HETATM 2750 O O . HOH I 7 . ? 18.921 -13.882 -41.716 1.00 37.69 ? 391 HOH A O 1 HETATM 2751 O O . HOH I 7 . ? 17.142 -36.801 -10.662 1.00 39.82 ? 392 HOH A O 1 HETATM 2752 O O . HOH I 7 . ? 6.138 -31.339 -30.655 1.00 22.66 ? 393 HOH A O 1 HETATM 2753 O O . HOH I 7 . ? 11.786 -1.940 -10.831 1.00 34.07 ? 394 HOH A O 1 HETATM 2754 O O . HOH I 7 . ? -6.767 -42.254 -26.242 1.00 16.39 ? 395 HOH A O 1 HETATM 2755 O O . HOH I 7 . ? 20.757 -1.030 -34.324 1.00 50.52 ? 396 HOH A O 1 HETATM 2756 O O . HOH I 7 . ? 19.713 -15.791 -34.983 1.00 34.38 ? 397 HOH A O 1 HETATM 2757 O O . HOH I 7 . ? 2.251 -28.219 -13.657 1.00 12.90 ? 398 HOH A O 1 HETATM 2758 O O . HOH I 7 . ? 5.090 -26.566 -0.997 1.00 14.61 ? 399 HOH A O 1 HETATM 2759 O O . HOH I 7 . ? 14.451 -13.638 -12.606 1.00 10.93 ? 400 HOH A O 1 HETATM 2760 O O . HOH I 7 . ? 5.011 -9.974 -22.980 1.00 12.59 ? 401 HOH A O 1 HETATM 2761 O O . HOH I 7 . ? -7.710 -14.529 -34.085 1.00 31.25 ? 402 HOH A O 1 HETATM 2762 O O . HOH I 7 . ? 17.513 -24.405 -25.516 1.00 17.97 ? 403 HOH A O 1 HETATM 2763 O O . HOH I 7 . ? 10.072 -11.025 -6.599 1.00 15.20 ? 404 HOH A O 1 HETATM 2764 O O . HOH I 7 . ? 2.428 -18.722 -10.611 1.00 11.62 ? 405 HOH A O 1 HETATM 2765 O O . HOH I 7 . ? 12.253 -1.673 -21.800 1.00 16.75 ? 406 HOH A O 1 HETATM 2766 O O . HOH I 7 . ? -4.283 -11.558 -28.508 1.00 12.47 ? 407 HOH A O 1 HETATM 2767 O O . HOH I 7 . ? 6.503 -23.530 -15.036 1.00 12.24 ? 408 HOH A O 1 HETATM 2768 O O . HOH I 7 . ? 5.176 -20.553 -6.943 1.00 13.72 ? 409 HOH A O 1 HETATM 2769 O O . HOH I 7 . ? 21.557 -10.481 -16.740 1.00 30.19 ? 410 HOH A O 1 HETATM 2770 O O . HOH I 7 . ? 19.266 -18.032 -5.610 1.00 14.26 ? 411 HOH A O 1 HETATM 2771 O O . HOH I 7 . ? 10.700 1.649 -26.210 1.00 29.96 ? 412 HOH A O 1 HETATM 2772 O O . HOH I 7 . ? 13.985 -11.555 -14.337 1.00 15.86 ? 413 HOH A O 1 HETATM 2773 O O . HOH I 7 . ? 14.691 -20.247 -0.809 1.00 21.11 ? 414 HOH A O 1 HETATM 2774 O O . HOH I 7 . ? -9.231 -23.772 -7.895 1.00 32.96 ? 415 HOH A O 1 HETATM 2775 O O . HOH I 7 . ? -6.074 -8.348 -21.877 1.00 12.16 ? 416 HOH A O 1 HETATM 2776 O O . HOH I 7 . ? 26.833 -24.922 -18.817 1.00 32.77 ? 417 HOH A O 1 HETATM 2777 O O . HOH I 7 . ? 15.565 -27.137 -18.174 1.00 18.69 ? 418 HOH A O 1 HETATM 2778 O O . HOH I 7 . ? 22.328 -15.341 -31.606 1.00 36.85 ? 419 HOH A O 1 HETATM 2779 O O . HOH I 7 . ? 13.688 -13.052 -42.110 1.00 32.72 ? 420 HOH A O 1 HETATM 2780 O O . HOH I 7 . ? -3.325 -13.840 -1.274 1.00 20.26 ? 421 HOH A O 1 HETATM 2781 O O . HOH I 7 . ? 4.291 -4.870 -28.345 1.00 12.60 ? 422 HOH A O 1 HETATM 2782 O O . HOH I 7 . ? -3.231 -39.110 -9.015 1.00 32.62 ? 423 HOH A O 1 HETATM 2783 O O . HOH I 7 . ? -12.216 -12.703 -29.395 1.00 26.38 ? 424 HOH A O 1 HETATM 2784 O O . HOH I 7 . ? 6.429 -20.724 -15.004 1.00 9.32 ? 425 HOH A O 1 HETATM 2785 O O . HOH I 7 . ? 26.962 -10.254 -22.043 1.00 25.10 ? 426 HOH A O 1 HETATM 2786 O O . HOH I 7 . ? -3.658 -22.929 -8.533 1.00 15.77 ? 427 HOH A O 1 HETATM 2787 O O . HOH I 7 . ? -3.274 3.249 -19.076 1.00 32.47 ? 428 HOH A O 1 HETATM 2788 O O . HOH I 7 . ? 2.175 -36.575 -4.872 1.00 27.34 ? 429 HOH A O 1 HETATM 2789 O O . HOH I 7 . ? 13.794 -13.765 0.968 1.00 20.88 ? 430 HOH A O 1 HETATM 2790 O O . HOH I 7 . ? 14.512 2.269 -24.528 1.00 25.86 ? 431 HOH A O 1 HETATM 2791 O O . HOH I 7 . ? 4.534 1.412 -18.877 1.00 29.38 ? 432 HOH A O 1 HETATM 2792 O O . HOH I 7 . ? -6.854 -31.673 -31.379 1.00 30.26 ? 433 HOH A O 1 HETATM 2793 O O . HOH I 7 . ? -0.431 -7.917 -4.157 1.00 26.08 ? 434 HOH A O 1 HETATM 2794 O O . HOH I 7 . ? 0.421 -28.083 -43.360 1.00 38.60 ? 435 HOH A O 1 HETATM 2795 O O . HOH I 7 . ? -10.922 -34.373 -15.307 1.00 27.23 ? 436 HOH A O 1 HETATM 2796 O O . HOH I 7 . ? 23.292 -10.516 -14.008 1.00 47.84 ? 437 HOH A O 1 HETATM 2797 O O . HOH I 7 . ? -4.110 -15.374 1.445 1.00 34.00 ? 438 HOH A O 1 HETATM 2798 O O . HOH I 7 . ? -2.193 -40.577 -22.809 1.00 40.98 ? 439 HOH A O 1 HETATM 2799 O O . HOH I 7 . ? 7.290 -11.626 -39.132 1.00 28.72 ? 440 HOH A O 1 HETATM 2800 O O . HOH I 7 . ? -5.858 -31.450 -24.769 1.00 35.39 ? 441 HOH A O 1 HETATM 2801 O O . HOH I 7 . ? -11.444 -30.248 -17.719 1.00 39.05 ? 442 HOH A O 1 HETATM 2802 O O . HOH I 7 . ? 6.721 -34.821 -1.335 1.00 37.44 ? 443 HOH A O 1 HETATM 2803 O O . HOH I 7 . ? 16.769 -21.245 -37.752 1.00 36.67 ? 444 HOH A O 1 HETATM 2804 O O . HOH I 7 . ? 15.133 3.501 -31.698 1.00 33.25 ? 445 HOH A O 1 HETATM 2805 O O . HOH I 7 . ? 27.681 -27.254 -23.593 1.00 36.76 ? 446 HOH A O 1 HETATM 2806 O O . HOH I 7 . ? 10.266 2.375 -41.447 1.00 36.93 ? 447 HOH A O 1 HETATM 2807 O O . HOH I 7 . ? -8.695 -34.672 -30.747 1.00 40.60 ? 448 HOH A O 1 HETATM 2808 O O . HOH I 7 . ? 23.844 -27.981 -12.904 1.00 43.86 ? 449 HOH A O 1 HETATM 2809 O O . HOH I 7 . ? -0.327 1.658 -15.983 1.00 29.49 ? 450 HOH A O 1 HETATM 2810 O O . HOH I 7 . ? 13.815 -31.931 -4.042 1.00 37.13 ? 451 HOH A O 1 HETATM 2811 O O . HOH I 7 . ? 18.031 -12.395 -7.203 1.00 21.01 ? 452 HOH A O 1 HETATM 2812 O O . HOH I 7 . ? 26.303 -16.136 -24.182 1.00 31.27 ? 453 HOH A O 1 HETATM 2813 O O . HOH I 7 . ? 5.890 -6.340 -2.264 1.00 18.45 ? 454 HOH A O 1 HETATM 2814 O O . HOH I 7 . ? 7.125 -11.231 -41.519 1.00 34.77 ? 455 HOH A O 1 HETATM 2815 O O . HOH I 7 . ? -1.683 -35.739 -38.920 1.00 27.09 ? 456 HOH A O 1 HETATM 2816 O O . HOH I 7 . ? 25.115 -9.737 -33.973 1.00 41.17 ? 457 HOH A O 1 HETATM 2817 O O . HOH I 7 . ? 10.149 -5.769 -40.082 1.00 37.67 ? 458 HOH A O 1 HETATM 2818 O O . HOH I 7 . ? 2.684 -38.481 -14.255 1.00 27.42 ? 459 HOH A O 1 HETATM 2819 O O . HOH I 7 . ? -12.962 -19.379 -25.486 1.00 32.98 ? 460 HOH A O 1 HETATM 2820 O O . HOH I 7 . ? -5.224 -26.744 -30.859 1.00 38.47 ? 461 HOH A O 1 HETATM 2821 O O . HOH I 7 . ? -14.127 -6.493 -27.897 1.00 40.36 ? 462 HOH A O 1 HETATM 2822 O O . HOH I 7 . ? -0.656 -14.505 -40.829 1.00 38.97 ? 463 HOH A O 1 HETATM 2823 O O . HOH I 7 . ? 1.163 -26.609 -6.795 1.00 20.55 ? 464 HOH A O 1 HETATM 2824 O O . HOH I 7 . ? 7.553 -31.400 6.986 1.00 41.62 ? 465 HOH A O 1 HETATM 2825 O O . HOH I 7 . ? 9.608 0.586 -18.889 1.00 54.62 ? 466 HOH A O 1 HETATM 2826 O O . HOH I 7 . ? 23.904 -6.848 -9.213 1.00 40.87 ? 467 HOH A O 1 HETATM 2827 O O . HOH I 7 . ? -13.713 -18.553 -27.921 1.00 34.93 ? 468 HOH A O 1 HETATM 2828 O O . HOH I 7 . ? -5.264 -27.277 -40.202 1.00 32.57 ? 469 HOH A O 1 HETATM 2829 O O . HOH I 7 . ? -0.646 -37.487 -8.385 1.00 44.81 ? 470 HOH A O 1 HETATM 2830 O O . HOH I 7 . ? 9.343 -30.106 2.563 1.00 43.16 ? 471 HOH A O 1 HETATM 2831 O O . HOH I 7 . ? -7.904 -37.247 -0.754 1.00 43.68 ? 472 HOH A O 1 HETATM 2832 O O . HOH I 7 . ? 7.878 -1.105 -39.658 1.00 30.44 ? 473 HOH A O 1 HETATM 2833 O O . HOH I 7 . ? -3.387 -33.874 4.481 1.00 38.43 ? 474 HOH A O 1 HETATM 2834 O O . HOH I 7 . ? 20.888 -31.981 -18.096 1.00 27.87 ? 475 HOH A O 1 HETATM 2835 O O . HOH I 7 . ? 2.164 -12.197 11.159 1.00 24.51 ? 476 HOH A O 1 HETATM 2836 O O . HOH I 7 . ? 6.054 -4.407 -21.149 1.00 17.24 ? 477 HOH A O 1 HETATM 2837 O O . HOH I 7 . ? -4.074 -4.595 -27.847 1.00 35.79 ? 478 HOH A O 1 HETATM 2838 O O . HOH I 7 . ? 5.108 -6.999 -37.170 1.00 39.91 ? 479 HOH A O 1 HETATM 2839 O O . HOH I 7 . ? -4.820 -27.615 -1.755 1.00 16.92 ? 480 HOH A O 1 HETATM 2840 O O . HOH I 7 . ? -3.531 -8.844 -21.039 1.00 17.57 ? 481 HOH A O 1 HETATM 2841 O O . HOH I 7 . ? 21.512 -28.303 -31.846 1.00 33.03 ? 482 HOH A O 1 HETATM 2842 O O . HOH I 7 . ? 9.249 -34.316 -31.630 1.00 48.30 ? 483 HOH A O 1 HETATM 2843 O O . HOH I 7 . ? 19.427 -29.492 -20.461 1.00 32.79 ? 484 HOH A O 1 HETATM 2844 O O . HOH I 7 . ? -11.573 -21.476 -35.399 1.00 39.41 ? 485 HOH A O 1 HETATM 2845 O O . HOH I 7 . ? -5.360 -32.329 3.985 1.00 33.62 ? 486 HOH A O 1 HETATM 2846 O O . HOH I 7 . ? -10.592 -1.849 -24.114 1.00 45.53 ? 487 HOH A O 1 HETATM 2847 O O . HOH I 7 . ? 13.001 -1.190 -13.031 1.00 22.80 ? 488 HOH A O 1 HETATM 2848 O O . HOH I 7 . ? 1.512 -35.311 -43.120 1.00 45.34 ? 489 HOH A O 1 HETATM 2849 O O . HOH I 7 . ? 12.524 -10.591 -7.619 1.00 15.71 ? 490 HOH A O 1 HETATM 2850 O O . HOH I 7 . ? -3.349 -11.384 6.849 1.00 41.73 ? 491 HOH A O 1 HETATM 2851 O O . HOH I 7 . ? 5.083 -30.666 -44.754 1.00 42.61 ? 492 HOH A O 1 HETATM 2852 O O . HOH I 7 . ? 10.240 -34.572 -13.253 1.00 47.63 ? 493 HOH A O 1 HETATM 2853 O O . HOH I 7 . ? -1.407 -11.141 -1.900 1.00 37.01 ? 494 HOH A O 1 HETATM 2854 O O . HOH I 7 . ? 5.004 -31.555 7.361 1.00 46.76 ? 495 HOH A O 1 HETATM 2855 O O . HOH I 7 . ? -11.958 -17.444 -4.929 1.00 37.34 ? 496 HOH A O 1 HETATM 2856 O O . HOH I 7 . ? 17.819 -19.572 -3.972 1.00 22.32 ? 497 HOH A O 1 HETATM 2857 O O . HOH I 7 . ? 1.102 -33.051 -44.285 1.00 35.04 ? 498 HOH A O 1 HETATM 2858 O O . HOH I 7 . ? 0.986 -10.484 -0.422 1.00 22.76 ? 499 HOH A O 1 HETATM 2859 O O . HOH I 7 . ? -14.092 -19.236 -5.504 1.00 32.08 ? 500 HOH A O 1 HETATM 2860 O O . HOH I 7 . ? 10.088 -28.187 -1.820 1.00 39.45 ? 501 HOH A O 1 HETATM 2861 O O . HOH I 7 . ? 9.819 -30.273 6.516 1.00 33.21 ? 502 HOH A O 1 HETATM 2862 O O . HOH I 7 . ? 23.538 -25.782 -13.440 1.00 25.58 ? 503 HOH A O 1 HETATM 2863 O O . HOH I 7 . ? 20.442 -6.038 -8.920 1.00 38.00 ? 504 HOH A O 1 HETATM 2864 O O . HOH I 7 . ? 3.480 -33.301 6.044 1.00 47.43 ? 505 HOH A O 1 HETATM 2865 O O . HOH I 7 . ? -11.408 -3.630 -25.842 1.00 35.48 ? 506 HOH A O 1 HETATM 2866 O O . HOH I 7 . ? -11.346 -14.400 -3.488 1.00 44.70 ? 507 HOH A O 1 HETATM 2867 O O . HOH I 7 . ? 17.711 -31.272 -27.353 1.00 24.85 ? 508 HOH A O 1 HETATM 2868 O O . HOH I 7 . ? 2.161 -33.154 4.119 1.00 41.38 ? 509 HOH A O 1 HETATM 2869 O O . HOH I 7 . ? -3.601 -22.121 -39.869 1.00 25.94 ? 510 HOH A O 1 HETATM 2870 O O . HOH I 7 . ? 18.166 -6.154 -16.311 1.00 21.94 ? 511 HOH A O 1 HETATM 2871 O O . HOH I 7 . ? 1.785 -7.085 -4.161 1.00 17.67 ? 512 HOH A O 1 HETATM 2872 O O . HOH I 7 . ? 6.555 -13.033 10.428 1.00 19.95 ? 513 HOH A O 1 HETATM 2873 O O . HOH I 7 . ? 2.536 -17.417 6.253 1.00 14.65 ? 514 HOH A O 1 HETATM 2874 O O . HOH I 7 . ? -5.360 -14.646 3.244 1.00 34.24 ? 515 HOH A O 1 HETATM 2875 O O . HOH I 7 . ? 6.736 -34.286 -11.692 1.00 15.45 ? 516 HOH A O 1 HETATM 2876 O O . HOH I 7 . ? 9.856 -18.178 -6.066 1.00 13.75 ? 517 HOH A O 1 HETATM 2877 O O . HOH I 7 . ? 5.885 -14.333 -2.183 1.00 17.26 ? 518 HOH A O 1 HETATM 2878 O O . HOH I 7 . ? 19.294 -15.469 -13.180 1.00 14.44 ? 519 HOH A O 1 HETATM 2879 O O . HOH I 7 . ? 10.249 -33.074 -11.103 1.00 24.56 ? 520 HOH A O 1 HETATM 2880 O O . HOH I 7 . ? -9.639 -5.849 -26.585 1.00 23.68 ? 521 HOH A O 1 HETATM 2881 O O . HOH I 7 . ? -10.026 -13.348 -26.803 1.00 15.13 ? 522 HOH A O 1 HETATM 2882 O O . HOH I 7 . ? -1.510 -5.675 -19.931 1.00 15.67 ? 523 HOH A O 1 HETATM 2883 O O . HOH I 7 . ? 7.837 -26.680 -5.491 1.00 14.11 ? 524 HOH A O 1 HETATM 2884 O O . HOH I 7 . ? -7.477 -23.965 -25.981 1.00 16.22 ? 525 HOH A O 1 HETATM 2885 O O . HOH I 7 . ? -0.350 -6.357 -32.617 1.00 18.85 ? 526 HOH A O 1 HETATM 2886 O O . HOH I 7 . ? 10.935 -26.227 -32.346 1.00 21.84 ? 527 HOH A O 1 HETATM 2887 O O . HOH I 7 . ? 11.095 -16.600 -33.215 1.00 17.11 ? 528 HOH A O 1 HETATM 2888 O O . HOH I 7 . ? 0.819 -20.811 0.434 1.00 20.39 ? 529 HOH A O 1 HETATM 2889 O O . HOH I 7 . ? -7.332 -5.705 -27.583 1.00 23.58 ? 530 HOH A O 1 HETATM 2890 O O . HOH I 7 . ? -5.457 -18.823 0.438 1.00 18.05 ? 531 HOH A O 1 HETATM 2891 O O . HOH I 7 . ? 1.286 -19.730 -2.346 1.00 14.54 ? 532 HOH A O 1 HETATM 2892 O O . HOH I 7 . ? -4.244 -36.682 -18.717 1.00 22.20 ? 533 HOH A O 1 HETATM 2893 O O . HOH I 7 . ? -3.468 -3.726 -19.925 1.00 18.77 ? 534 HOH A O 1 HETATM 2894 O O . HOH I 7 . ? -8.964 -19.021 -33.082 1.00 19.73 ? 535 HOH A O 1 HETATM 2895 O O . HOH I 7 . ? 14.049 -28.817 -26.583 1.00 21.15 ? 536 HOH A O 1 HETATM 2896 O O . HOH I 7 . ? -0.792 -20.902 3.107 1.00 18.83 ? 537 HOH A O 1 HETATM 2897 O O . HOH I 7 . ? 18.423 -0.402 -25.489 1.00 17.51 ? 538 HOH A O 1 HETATM 2898 O O . HOH I 7 . ? -13.079 -26.534 -14.685 1.00 20.76 ? 539 HOH A O 1 HETATM 2899 O O . HOH I 7 . ? 9.978 -16.288 3.418 1.00 17.70 ? 540 HOH A O 1 HETATM 2900 O O . HOH I 7 . ? 16.744 -3.816 -16.819 1.00 19.97 ? 541 HOH A O 1 HETATM 2901 O O . HOH I 7 . ? 26.383 -3.417 -23.864 1.00 24.24 ? 542 HOH A O 1 HETATM 2902 O O . HOH I 7 . ? -6.974 -26.568 -29.051 1.00 27.25 ? 543 HOH A O 1 HETATM 2903 O O . HOH I 7 . ? 10.964 -34.272 -34.593 1.00 36.86 ? 544 HOH A O 1 HETATM 2904 O O . HOH I 7 . ? 2.659 -36.769 -18.341 1.00 25.18 ? 545 HOH A O 1 HETATM 2905 O O . HOH I 7 . ? 23.620 -6.501 -18.857 1.00 26.10 ? 546 HOH A O 1 HETATM 2906 O O . HOH I 7 . ? 10.638 -14.367 5.242 1.00 21.17 ? 547 HOH A O 1 HETATM 2907 O O . HOH I 7 . ? 17.065 -16.650 -38.366 1.00 22.65 ? 548 HOH A O 1 HETATM 2908 O O . HOH I 7 . ? 4.497 -12.401 -0.398 1.00 21.27 ? 549 HOH A O 1 HETATM 2909 O O . HOH I 7 . ? 15.628 -29.736 -11.386 1.00 19.88 ? 550 HOH A O 1 HETATM 2910 O O . HOH I 7 . ? 17.214 -31.442 -12.972 1.00 33.28 ? 551 HOH A O 1 HETATM 2911 O O . HOH I 7 . ? -7.209 -6.547 -14.527 1.00 15.21 ? 552 HOH A O 1 HETATM 2912 O O . HOH I 7 . ? 10.685 -24.622 -34.652 1.00 16.58 ? 553 HOH A O 1 HETATM 2913 O O . HOH I 7 . ? -14.179 -9.786 -26.716 1.00 39.81 ? 554 HOH A O 1 HETATM 2914 O O . HOH I 7 . ? 6.448 -19.702 4.162 1.00 28.16 ? 555 HOH A O 1 HETATM 2915 O O . HOH I 7 . ? 18.505 -25.819 -32.626 1.00 29.05 ? 556 HOH A O 1 HETATM 2916 O O . HOH I 7 . ? -6.863 -3.452 -19.742 1.00 29.59 ? 557 HOH A O 1 HETATM 2917 O O . HOH I 7 . ? 8.119 -19.113 1.587 1.00 30.62 ? 558 HOH A O 1 HETATM 2918 O O . HOH I 7 . ? 4.471 -35.761 -46.355 1.00 37.58 ? 559 HOH A O 1 HETATM 2919 O O . HOH I 7 . ? -0.431 -0.122 -24.258 1.00 30.29 ? 560 HOH A O 1 HETATM 2920 O O . HOH I 7 . ? 18.078 2.995 -19.845 1.00 38.47 ? 561 HOH A O 1 HETATM 2921 O O . HOH I 7 . ? 7.876 -11.108 3.298 1.00 29.86 ? 562 HOH A O 1 HETATM 2922 O O . HOH I 7 . ? 28.749 -10.980 -20.452 1.00 22.70 ? 563 HOH A O 1 HETATM 2923 O O . HOH I 7 . ? 17.137 -24.535 -39.392 1.00 44.08 ? 564 HOH A O 1 HETATM 2924 O O . HOH I 7 . ? 21.097 -9.135 -33.304 1.00 27.13 ? 565 HOH A O 1 HETATM 2925 O O . HOH I 7 . ? -6.229 -7.735 -36.714 1.00 28.08 ? 566 HOH A O 1 HETATM 2926 O O . HOH I 7 . ? 14.462 -30.874 -9.289 1.00 26.50 ? 567 HOH A O 1 HETATM 2927 O O . HOH I 7 . ? 5.142 -37.078 -20.619 1.00 29.48 ? 568 HOH A O 1 HETATM 2928 O O . HOH I 7 . ? 24.457 -24.007 -28.634 1.00 43.41 ? 569 HOH A O 1 HETATM 2929 O O . HOH I 7 . ? 4.620 -28.808 -34.928 1.00 25.52 ? 570 HOH A O 1 HETATM 2930 O O . HOH I 7 . ? 23.142 -19.108 -16.129 1.00 37.54 ? 571 HOH A O 1 HETATM 2931 O O . HOH I 7 . ? -2.391 -7.578 -5.739 1.00 28.89 ? 572 HOH A O 1 HETATM 2932 O O . HOH I 7 . ? 0.281 -2.975 -28.568 1.00 29.20 ? 573 HOH A O 1 HETATM 2933 O O . HOH I 7 . ? 20.195 -31.068 -14.349 1.00 21.36 ? 574 HOH A O 1 HETATM 2934 O O . HOH I 7 . ? -0.635 -28.535 -30.283 1.00 23.20 ? 575 HOH A O 1 HETATM 2935 O O . HOH I 7 . ? 7.845 -35.578 -13.734 1.00 25.53 ? 576 HOH A O 1 HETATM 2936 O O . HOH I 7 . ? -8.503 -14.553 -4.496 1.00 29.14 ? 577 HOH A O 1 HETATM 2937 O O . HOH I 7 . ? 23.634 -22.073 -21.451 1.00 19.34 ? 578 HOH A O 1 HETATM 2938 O O . HOH I 7 . ? 0.283 -27.544 6.338 1.00 37.89 ? 579 HOH A O 1 HETATM 2939 O O . HOH I 7 . ? -9.094 -9.688 -14.548 1.00 26.57 ? 580 HOH A O 1 HETATM 2940 O O . HOH I 7 . ? -7.023 -41.112 -23.210 1.00 28.20 ? 581 HOH A O 1 HETATM 2941 O O . HOH I 7 . ? 9.873 -21.201 -42.249 1.00 28.41 ? 582 HOH A O 1 HETATM 2942 O O . HOH I 7 . ? -8.571 -24.909 -28.276 1.00 21.55 ? 583 HOH A O 1 HETATM 2943 O O . HOH I 7 . ? 17.825 2.900 -22.757 1.00 45.19 ? 584 HOH A O 1 HETATM 2944 O O . HOH I 7 . ? -12.532 -14.487 -7.555 1.00 33.59 ? 585 HOH A O 1 HETATM 2945 O O . HOH I 7 . ? -10.303 -13.123 -10.602 1.00 23.34 ? 586 HOH A O 1 HETATM 2946 O O . HOH I 7 . ? 13.174 -15.010 -34.274 1.00 26.35 ? 587 HOH A O 1 HETATM 2947 O O . HOH I 7 . ? 22.994 -21.253 -13.058 1.00 25.28 ? 588 HOH A O 1 HETATM 2948 O O . HOH I 7 . ? 25.059 -21.036 -30.914 1.00 34.40 ? 589 HOH A O 1 HETATM 2949 O O . HOH I 7 . ? 22.049 1.624 -27.659 1.00 45.84 ? 590 HOH A O 1 HETATM 2950 O O . HOH I 7 . ? -3.460 -18.989 3.598 1.00 18.04 ? 591 HOH A O 1 HETATM 2951 O O . HOH I 7 . ? 15.017 -9.580 -35.655 1.00 26.56 ? 592 HOH A O 1 HETATM 2952 O O . HOH I 7 . ? 12.238 -12.252 4.552 1.00 24.70 ? 593 HOH A O 1 HETATM 2953 O O . HOH I 7 . ? 19.164 -0.687 -22.484 1.00 33.35 ? 594 HOH A O 1 HETATM 2954 O O . HOH I 7 . ? 13.180 -27.316 -32.788 1.00 34.83 ? 595 HOH A O 1 HETATM 2955 O O . HOH I 7 . ? -7.501 -40.262 -27.427 1.00 26.14 ? 596 HOH A O 1 HETATM 2956 O O . HOH I 7 . ? -11.381 -20.310 -33.445 1.00 25.41 ? 597 HOH A O 1 HETATM 2957 O O . HOH I 7 . ? 19.102 -18.862 -34.708 1.00 28.78 ? 598 HOH A O 1 HETATM 2958 O O . HOH I 7 . ? -8.935 -6.502 -17.032 1.00 25.96 ? 599 HOH A O 1 HETATM 2959 O O . HOH I 7 . ? 28.050 -22.723 -25.341 1.00 33.22 ? 600 HOH A O 1 HETATM 2960 O O . HOH I 7 . ? 5.728 -35.540 -29.914 1.00 40.70 ? 602 HOH A O 1 HETATM 2961 O O . HOH I 7 . ? 3.142 -0.308 -31.319 1.00 38.29 ? 603 HOH A O 1 HETATM 2962 O O . HOH I 7 . ? 10.434 -15.432 7.494 1.00 21.64 ? 604 HOH A O 1 HETATM 2963 O O . HOH I 7 . ? 23.047 -3.467 -17.962 1.00 38.39 ? 605 HOH A O 1 HETATM 2964 O O . HOH I 7 . ? 16.029 -27.316 -41.593 1.00 38.36 ? 606 HOH A O 1 HETATM 2965 O O . HOH I 7 . ? 12.128 -16.801 -7.728 1.00 21.56 ? 607 HOH A O 1 HETATM 2966 O O . HOH I 7 . ? -13.344 -31.433 -7.551 1.00 26.45 ? 608 HOH A O 1 HETATM 2967 O O . HOH I 7 . ? 17.656 -10.458 -36.148 1.00 34.80 ? 609 HOH A O 1 HETATM 2968 O O . HOH I 7 . ? 11.998 -34.179 -9.432 1.00 35.36 ? 610 HOH A O 1 HETATM 2969 O O . HOH I 7 . ? -6.900 -6.019 -31.276 1.00 26.11 ? 611 HOH A O 1 HETATM 2970 O O . HOH I 7 . ? 15.310 4.516 -20.193 1.00 36.06 ? 612 HOH A O 1 HETATM 2971 O O . HOH I 7 . ? 24.206 -22.258 -18.820 1.00 34.42 ? 613 HOH A O 1 HETATM 2972 O O . HOH I 7 . ? 9.082 -25.524 -41.721 1.00 27.33 ? 614 HOH A O 1 HETATM 2973 O O . HOH I 7 . ? 19.850 -15.381 -37.484 1.00 37.12 ? 615 HOH A O 1 HETATM 2974 O O . HOH I 7 . ? 22.801 -11.186 -33.674 1.00 29.57 ? 616 HOH A O 1 HETATM 2975 O O . HOH I 7 . ? 21.539 -13.982 -13.160 1.00 34.29 ? 617 HOH A O 1 HETATM 2976 O O . HOH I 7 . ? 20.970 -23.793 -15.184 1.00 23.55 ? 618 HOH A O 1 HETATM 2977 O O . HOH I 7 . ? 5.183 -37.007 -17.431 1.00 27.58 ? 619 HOH A O 1 HETATM 2978 O O . HOH I 7 . ? 15.265 0.149 -14.147 1.00 29.08 ? 620 HOH A O 1 HETATM 2979 O O . HOH I 7 . ? 3.579 -19.523 4.385 1.00 26.37 ? 621 HOH A O 1 HETATM 2980 O O . HOH I 7 . ? 11.455 -36.756 -17.900 1.00 36.70 ? 622 HOH A O 1 HETATM 2981 O O . HOH I 7 . ? -14.436 -9.694 -30.118 1.00 37.36 ? 623 HOH A O 1 HETATM 2982 O O . HOH I 7 . ? -0.264 -4.216 -34.720 1.00 43.82 ? 624 HOH A O 1 HETATM 2983 O O . HOH I 7 . ? 21.141 -20.261 -35.042 1.00 33.78 ? 625 HOH A O 1 HETATM 2984 O O . HOH I 7 . ? 4.340 -11.028 9.508 1.00 41.62 ? 626 HOH A O 1 HETATM 2985 O O . HOH I 7 . ? -6.952 -16.750 1.116 1.00 28.30 ? 627 HOH A O 1 HETATM 2986 O O . HOH I 7 . ? 1.703 -37.806 2.228 1.00 37.02 ? 628 HOH A O 1 HETATM 2987 O O . HOH I 7 . ? 24.371 -18.091 -33.169 1.00 58.29 ? 629 HOH A O 1 HETATM 2988 O O . HOH I 7 . ? -13.243 -7.085 -25.151 1.00 28.78 ? 630 HOH A O 1 HETATM 2989 O O . HOH I 7 . ? -9.509 -17.830 -35.259 1.00 32.48 ? 631 HOH A O 1 HETATM 2990 O O . HOH I 7 . ? 23.092 -23.435 -16.973 1.00 27.90 ? 632 HOH A O 1 HETATM 2991 O O . HOH I 7 . ? 6.030 -35.141 -33.960 1.00 31.59 ? 633 HOH A O 1 HETATM 2992 O O . HOH I 7 . ? -6.336 -22.559 -38.912 1.00 37.50 ? 634 HOH A O 1 HETATM 2993 O O . HOH I 7 . ? 5.745 -29.542 -37.360 1.00 30.70 ? 635 HOH A O 1 HETATM 2994 O O . HOH I 7 . ? -13.547 -27.385 -16.924 1.00 41.56 ? 636 HOH A O 1 HETATM 2995 O O . HOH I 7 . ? 20.983 -12.933 -10.398 1.00 36.96 ? 637 HOH A O 1 HETATM 2996 O O . HOH I 7 . ? -7.533 -9.292 -38.339 1.00 40.30 ? 638 HOH A O 1 HETATM 2997 O O . HOH I 7 . ? 11.618 -32.642 -32.586 1.00 54.98 ? 639 HOH A O 1 HETATM 2998 O O . HOH I 7 . ? 13.858 -35.227 -16.384 1.00 33.35 ? 640 HOH A O 1 HETATM 2999 O O . HOH I 7 . ? 17.259 -0.445 -12.065 1.00 42.81 ? 641 HOH A O 1 HETATM 3000 O O . HOH I 7 . ? 26.844 -23.572 -28.314 1.00 38.84 ? 642 HOH A O 1 HETATM 3001 O O . HOH I 7 . ? 3.462 1.416 -32.815 1.00 42.42 ? 643 HOH A O 1 HETATM 3002 O O . HOH I 7 . ? -9.208 -2.892 -19.240 1.00 42.57 ? 644 HOH A O 1 HETATM 3003 O O . HOH I 7 . ? 10.433 -23.533 -43.219 1.00 39.51 ? 645 HOH A O 1 HETATM 3004 O O . HOH I 7 . ? 15.029 -35.039 -19.087 1.00 48.65 ? 646 HOH A O 1 HETATM 3005 O O . HOH I 7 . ? 25.366 -25.289 -30.713 1.00 42.61 ? 647 HOH A O 1 HETATM 3006 O O . HOH I 7 . ? 2.018 -40.270 -23.113 1.00 48.77 ? 648 HOH A O 1 HETATM 3007 O O . HOH I 7 . ? 4.365 -37.618 -30.935 1.00 47.16 ? 649 HOH A O 1 HETATM 3008 O O . HOH I 7 . ? 6.344 -42.723 -8.628 1.00 61.17 ? 650 HOH A O 1 HETATM 3009 O O . HOH I 7 . ? 13.508 -35.601 -11.348 1.00 40.59 ? 651 HOH A O 1 HETATM 3010 O O . HOH I 7 . ? -4.568 -7.081 -39.853 1.00 43.30 ? 652 HOH A O 1 HETATM 3011 O O . HOH I 7 . ? 1.772 -29.122 6.255 1.00 44.51 ? 653 HOH A O 1 HETATM 3012 O O . HOH I 7 . ? -0.539 -1.434 -26.590 1.00 36.58 ? 654 HOH A O 1 HETATM 3013 O O . HOH I 7 . ? 29.106 -25.432 -26.233 1.00 45.03 ? 655 HOH A O 1 HETATM 3014 O O . HOH I 7 . ? 22.284 -12.916 -35.132 1.00 33.92 ? 656 HOH A O 1 HETATM 3015 O O . HOH I 7 . ? 10.085 -7.061 3.762 1.00 45.00 ? 657 HOH A O 1 HETATM 3016 O O . HOH I 7 . ? -1.207 -8.710 -39.005 1.00 30.27 ? 658 HOH A O 1 HETATM 3017 O O . HOH I 7 . ? 25.999 -2.346 -18.195 1.00 40.09 ? 659 HOH A O 1 HETATM 3018 O O . HOH I 7 . ? 10.566 -37.284 -30.631 1.00 37.07 ? 660 HOH A O 1 HETATM 3019 O O . HOH I 7 . ? 7.590 -7.159 2.161 1.00 34.57 ? 661 HOH A O 1 HETATM 3020 O O . HOH I 7 . ? 2.014 -39.484 -19.060 1.00 36.86 ? 662 HOH A O 1 HETATM 3021 O O . HOH I 7 . ? 28.803 -4.775 -23.731 1.00 35.99 ? 663 HOH A O 1 HETATM 3022 O O . HOH I 7 . ? 20.306 0.957 -20.554 1.00 37.86 ? 664 HOH A O 1 HETATM 3023 O O . HOH I 7 . ? -12.767 -17.314 -29.554 1.00 33.64 ? 665 HOH A O 1 HETATM 3024 O O . HOH I 7 . ? 22.292 -10.434 -9.904 1.00 44.91 ? 666 HOH A O 1 HETATM 3025 O O . HOH I 7 . ? -5.036 -8.545 -4.549 1.00 38.70 ? 667 HOH A O 1 HETATM 3026 O O . HOH I 7 . ? 13.170 -35.107 -6.979 1.00 47.25 ? 668 HOH A O 1 HETATM 3027 O O . HOH I 7 . ? -8.342 -1.227 -17.913 1.00 47.41 ? 669 HOH A O 1 HETATM 3028 O O . HOH I 7 . ? 1.986 -37.435 -8.779 1.00 34.46 ? 670 HOH A O 1 HETATM 3029 O O . HOH I 7 . ? 4.140 -8.086 -0.347 1.00 31.36 ? 671 HOH A O 1 HETATM 3030 O O . HOH I 7 . ? 20.109 -10.383 -7.709 1.00 46.60 ? 672 HOH A O 1 HETATM 3031 O O . HOH I 7 . ? -3.382 -28.621 -30.462 1.00 35.05 ? 673 HOH A O 1 HETATM 3032 O O . HOH I 7 . ? 1.515 -8.318 -39.075 1.00 38.25 ? 674 HOH A O 1 HETATM 3033 O O . HOH I 7 . ? 21.023 2.249 -25.424 1.00 46.92 ? 675 HOH A O 1 HETATM 3034 O O . HOH I 7 . ? 16.899 1.922 -37.454 1.00 45.79 ? 676 HOH A O 1 HETATM 3035 O O . HOH I 7 . ? 7.107 -41.205 -10.743 1.00 50.15 ? 677 HOH A O 1 HETATM 3036 O O . HOH I 7 . ? 24.214 -25.697 -15.865 1.00 32.97 ? 678 HOH A O 1 HETATM 3037 O O . HOH I 7 . ? -11.069 -4.622 -17.229 1.00 44.15 ? 679 HOH A O 1 HETATM 3038 O O . HOH I 7 . ? 19.920 -25.922 -35.040 1.00 36.87 ? 680 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 36 36 ALA ALA A . n A 1 2 TRP 2 37 37 TRP TRP A . n A 1 3 THR 3 38 38 THR THR A . n A 1 4 GLN 4 39 39 GLN GLN A . n A 1 5 GLU 5 40 40 GLU GLU A . n A 1 6 LYS 6 41 41 LYS LYS A . n A 1 7 ASN 7 42 42 ASN ASN A . n A 1 8 HIS 8 43 43 HIS HIS A . n A 1 9 HIS 9 44 44 HIS HIS A . n A 1 10 GLN 10 45 45 GLN GLN A . n A 1 11 PRO 11 46 46 PRO PRO A . n A 1 12 ALA 12 47 47 ALA ALA A . n A 1 13 HIS 13 48 48 HIS HIS A . n A 1 14 LEU 14 49 49 LEU LEU A . n A 1 15 ASN 15 50 50 ASN ASN A . n A 1 16 SER 16 51 51 SER SER A . n A 1 17 SER 17 52 52 SER SER A . n A 1 18 SER 18 53 53 SER SER A . n A 1 19 LEU 19 54 54 LEU LEU A . n A 1 20 GLN 20 55 55 GLN GLN A . n A 1 21 GLN 21 56 56 GLN GLN A . n A 1 22 VAL 22 57 57 VAL VAL A . n A 1 23 ALA 23 58 58 ALA ALA A . n A 1 24 GLU 24 59 59 GLU GLU A . n A 1 25 GLY 25 60 60 GLY GLY A . n A 1 26 THR 26 61 61 THR THR A . n A 1 27 SER 27 62 62 SER SER A . n A 1 28 ILE 28 63 63 ILE ILE A . n A 1 29 SER 29 64 64 SER SER A . n A 1 30 GLU 30 65 65 GLU GLU A . n A 1 31 MET 31 66 66 MET MET A . n A 1 32 TRP 32 67 67 TRP TRP A . n A 1 33 GLN 33 68 68 GLN GLN A . n A 1 34 ASN 34 69 69 ASN ASN A . n A 1 35 ASP 35 70 70 ASP ASP A . n A 1 36 LEU 36 71 71 LEU LEU A . n A 1 37 ARG 37 72 72 ARG ARG A . n A 1 38 PRO 38 73 73 PRO PRO A . n A 1 39 LEU 39 74 74 LEU LEU A . n A 1 40 LEU 40 75 75 LEU LEU A . n A 1 41 ILE 41 76 76 ILE ILE A . n A 1 42 GLU 42 77 77 GLU GLU A . n A 1 43 ARG 43 78 78 ARG ARG A . n A 1 44 TYR 44 79 79 TYR TYR A . n A 1 45 PRO 45 80 80 PRO PRO A . n A 1 46 GLY 46 81 81 GLY GLY A . n A 1 47 SER 47 82 82 SER SER A . n A 1 48 PRO 48 83 83 PRO PRO A . n A 1 49 GLY 49 84 84 GLY GLY A . n A 1 50 SER 50 85 85 SER SER A . n A 1 51 TYR 51 86 86 TYR TYR A . n A 1 52 SER 52 87 87 SER SER A . n A 1 53 ALA 53 88 88 ALA ALA A . n A 1 54 ARG 54 89 89 ARG ARG A . n A 1 55 GLN 55 90 90 GLN GLN A . n A 1 56 HIS 56 91 91 HIS HIS A . n A 1 57 ILE 57 92 92 ILE ILE A . n A 1 58 MET 58 93 93 MET MET A . n A 1 59 GLN 59 94 94 GLN GLN A . n A 1 60 ARG 60 95 95 ARG ARG A . n A 1 61 ILE 61 96 96 ILE ILE A . n A 1 62 GLN 62 97 97 GLN GLN A . n A 1 63 ARG 63 98 98 ARG ARG A . n A 1 64 LEU 64 99 99 LEU LEU A . n A 1 65 GLN 65 100 100 GLN GLN A . n A 1 66 ALA 66 101 101 ALA ALA A . n A 1 67 GLU 67 102 102 GLU GLU A . n A 1 68 TRP 68 103 103 TRP TRP A . n A 1 69 VAL 69 104 104 VAL VAL A . n A 1 70 VAL 70 105 105 VAL VAL A . n A 1 71 GLU 71 106 106 GLU GLU A . n A 1 72 VAL 72 107 107 VAL VAL A . n A 1 73 ASP 73 108 108 ASP ASP A . n A 1 74 THR 74 109 109 THR THR A . n A 1 75 PHE 75 110 110 PHE PHE A . n A 1 76 LEU 76 111 111 LEU LEU A . n A 1 77 SER 77 112 112 SER SER A . n A 1 78 ARG 78 113 113 ARG ARG A . n A 1 79 THR 79 114 114 THR THR A . n A 1 80 PRO 80 115 115 PRO PRO A . n A 1 81 TYR 81 116 116 TYR TYR A . n A 1 82 GLY 82 117 117 GLY GLY A . n A 1 83 TYR 83 118 118 TYR TYR A . n A 1 84 ARG 84 119 119 ARG ARG A . n A 1 85 SER 85 120 120 SER SER A . n A 1 86 PHE 86 121 121 PHE PHE A . n A 1 87 SER 87 122 122 SER SER A . n A 1 88 ASN 88 123 123 ASN ASN A . n A 1 89 ILE 89 124 124 ILE ILE A . n A 1 90 ILE 90 125 125 ILE ILE A . n A 1 91 SER 91 126 126 SER SER A . n A 1 92 THR 92 127 127 THR THR A . n A 1 93 LEU 93 128 128 LEU LEU A . n A 1 94 ASN 94 129 129 ASN ASN A . n A 1 95 PRO 95 130 130 PRO PRO A . n A 1 96 GLU 96 131 131 GLU GLU A . n A 1 97 ALA 97 132 132 ALA ALA A . n A 1 98 LYS 98 133 133 LYS LYS A . n A 1 99 ARG 99 134 134 ARG ARG A . n A 1 100 HIS 100 135 135 HIS HIS A . n A 1 101 LEU 101 136 136 LEU LEU A . n A 1 102 VAL 102 137 137 VAL VAL A . n A 1 103 LEU 103 138 138 LEU LEU A . n A 1 104 ALA 104 139 139 ALA ALA A . n A 1 105 CYS 105 140 140 CYS CYS A . n A 1 106 HIS 106 141 141 HIS HIS A . n A 1 107 TYR 107 142 142 TYR TYR A . n A 1 108 ASP 108 143 143 ASP ASP A . n A 1 109 SER 109 144 144 SER SER A . n A 1 110 LYS 110 145 145 LYS LYS A . n A 1 111 TYR 111 146 146 TYR TYR A . n A 1 112 PHE 112 147 147 PHE PHE A . n A 1 113 PRO 113 148 148 PRO PRO A . n A 1 114 ARG 114 149 149 ARG ARG A . n A 1 115 TRP 115 150 150 TRP TRP A . n A 1 116 ASP 116 151 151 ASP ASP A . n A 1 117 SER 117 152 152 SER SER A . n A 1 118 ARG 118 153 153 ARG ARG A . n A 1 119 VAL 119 154 154 VAL VAL A . n A 1 120 PHE 120 155 155 PHE PHE A . n A 1 121 VAL 121 156 156 VAL VAL A . n A 1 122 GLY 122 157 157 GLY GLY A . n A 1 123 ALA 123 158 158 ALA ALA A . n A 1 124 THR 124 159 159 THR THR A . n A 1 125 ASP 125 160 160 ASP ASP A . n A 1 126 SER 126 161 161 SER SER A . n A 1 127 ALA 127 162 162 ALA ALA A . n A 1 128 VAL 128 163 163 VAL VAL A . n A 1 129 PRO 129 164 164 PRO PRO A . n A 1 130 CYS 130 165 165 CYS CYS A . n A 1 131 ALA 131 166 166 ALA ALA A . n A 1 132 MET 132 167 167 MET MET A . n A 1 133 MET 133 168 168 MET MET A . n A 1 134 LEU 134 169 169 LEU LEU A . n A 1 135 GLU 135 170 170 GLU GLU A . n A 1 136 LEU 136 171 171 LEU LEU A . n A 1 137 ALA 137 172 172 ALA ALA A . n A 1 138 ARG 138 173 173 ARG ARG A . n A 1 139 ALA 139 174 174 ALA ALA A . n A 1 140 LEU 140 175 175 LEU LEU A . n A 1 141 ASP 141 176 176 ASP ASP A . n A 1 142 LYS 142 177 177 LYS LYS A . n A 1 143 LYS 143 178 178 LYS LYS A . n A 1 144 LEU 144 179 179 LEU LEU A . n A 1 145 HIS 145 180 180 HIS HIS A . n A 1 146 SER 146 181 181 SER SER A . n A 1 147 LEU 147 182 182 LEU LEU A . n A 1 148 LYS 148 183 183 LYS LYS A . n A 1 149 ASP 149 184 184 ASP ASP A . n A 1 150 VAL 150 185 ? ? ? A . n A 1 151 SER 151 186 ? ? ? A . n A 1 152 GLY 152 187 ? ? ? A . n A 1 153 SER 153 188 ? ? ? A . n A 1 154 LYS 154 189 ? ? ? A . n A 1 155 PRO 155 190 190 PRO PRO A . n A 1 156 ASP 156 191 191 ASP ASP A . n A 1 157 LEU 157 192 192 LEU LEU A . n A 1 158 SER 158 193 193 SER SER A . n A 1 159 LEU 159 194 194 LEU LEU A . n A 1 160 GLN 160 195 195 GLN GLN A . n A 1 161 LEU 161 196 196 LEU LEU A . n A 1 162 ILE 162 197 197 ILE ILE A . n A 1 163 PHE 163 198 198 PHE PHE A . n A 1 164 PHE 164 199 199 PHE PHE A . n A 1 165 ASP 165 200 200 ASP ASP A . n A 1 166 GLY 166 201 201 GLY GLY A . n A 1 167 GLU 167 202 202 GLU GLU A . n A 1 168 GLU 168 203 203 GLU GLU A . n A 1 169 ALA 169 204 204 ALA ALA A . n A 1 170 PHE 170 205 205 PHE PHE A . n A 1 171 HIS 171 206 206 HIS HIS A . n A 1 172 HIS 172 207 207 HIS HIS A . n A 1 173 TRP 173 208 208 TRP TRP A . n A 1 174 SER 174 209 209 SER SER A . n A 1 175 PRO 175 210 210 PRO PRO A . n A 1 176 GLN 176 211 211 GLN GLN A . n A 1 177 ASP 177 212 212 ASP ASP A . n A 1 178 SER 178 213 213 SER SER A . n A 1 179 LEU 179 214 214 LEU LEU A . n A 1 180 TYR 180 215 215 TYR TYR A . n A 1 181 GLY 181 216 216 GLY GLY A . n A 1 182 SER 182 217 217 SER SER A . n A 1 183 ARG 183 218 218 ARG ARG A . n A 1 184 HIS 184 219 219 HIS HIS A . n A 1 185 LEU 185 220 220 LEU LEU A . n A 1 186 ALA 186 221 221 ALA ALA A . n A 1 187 GLN 187 222 222 GLN GLN A . n A 1 188 LYS 188 223 223 LYS LYS A . n A 1 189 MET 189 224 224 MET MET A . n A 1 190 ALA 190 225 225 ALA ALA A . n A 1 191 SER 191 226 226 SER SER A . n A 1 192 SER 192 227 227 SER SER A . n A 1 193 PRO 193 228 228 PRO PRO A . n A 1 194 HIS 194 229 229 HIS HIS A . n A 1 195 PRO 195 230 230 PRO PRO A . n A 1 196 PRO 196 231 231 PRO PRO A . n A 1 197 GLY 197 232 232 GLY GLY A . n A 1 198 SER 198 233 233 SER SER A . n A 1 199 ARG 199 234 234 ARG ARG A . n A 1 200 GLY 200 235 235 GLY GLY A . n A 1 201 THR 201 236 236 THR THR A . n A 1 202 ASN 202 237 237 ASN ASN A . n A 1 203 GLN 203 238 238 GLN GLN A . n A 1 204 LEU 204 239 239 LEU LEU A . n A 1 205 ASP 205 240 240 ASP ASP A . n A 1 206 GLY 206 241 241 GLY GLY A . n A 1 207 MET 207 242 242 MET MET A . n A 1 208 ASP 208 243 243 ASP ASP A . n A 1 209 LEU 209 244 244 LEU LEU A . n A 1 210 LEU 210 245 245 LEU LEU A . n A 1 211 VAL 211 246 246 VAL VAL A . n A 1 212 LEU 212 247 247 LEU LEU A . n A 1 213 LEU 213 248 248 LEU LEU A . n A 1 214 ASP 214 249 249 ASP ASP A . n A 1 215 LEU 215 250 250 LEU LEU A . n A 1 216 ILE 216 251 251 ILE ILE A . n A 1 217 GLY 217 252 252 GLY GLY A . n A 1 218 ALA 218 253 253 ALA ALA A . n A 1 219 ALA 219 254 254 ALA ALA A . n A 1 220 ASN 220 255 255 ASN ASN A . n A 1 221 PRO 221 256 256 PRO PRO A . n A 1 222 THR 222 257 257 THR THR A . n A 1 223 PHE 223 258 258 PHE PHE A . n A 1 224 PRO 224 259 259 PRO PRO A . n A 1 225 ASN 225 260 260 ASN ASN A . n A 1 226 PHE 226 261 261 PHE PHE A . n A 1 227 PHE 227 262 262 PHE PHE A . n A 1 228 PRO 228 263 263 PRO PRO A . n A 1 229 LYS 229 264 264 LYS LYS A . n A 1 230 THR 230 265 265 THR THR A . n A 1 231 THR 231 266 266 THR THR A . n A 1 232 ARG 232 267 267 ARG ARG A . n A 1 233 TRP 233 268 268 TRP TRP A . n A 1 234 PHE 234 269 269 PHE PHE A . n A 1 235 ASN 235 270 270 ASN ASN A . n A 1 236 ARG 236 271 271 ARG ARG A . n A 1 237 LEU 237 272 272 LEU LEU A . n A 1 238 GLN 238 273 273 GLN GLN A . n A 1 239 ALA 239 274 274 ALA ALA A . n A 1 240 ILE 240 275 275 ILE ILE A . n A 1 241 GLU 241 276 276 GLU GLU A . n A 1 242 LYS 242 277 277 LYS LYS A . n A 1 243 GLU 243 278 278 GLU GLU A . n A 1 244 LEU 244 279 279 LEU LEU A . n A 1 245 TYR 245 280 280 TYR TYR A . n A 1 246 GLU 246 281 281 GLU GLU A . n A 1 247 LEU 247 282 282 LEU LEU A . n A 1 248 GLY 248 283 283 GLY GLY A . n A 1 249 LEU 249 284 284 LEU LEU A . n A 1 250 LEU 250 285 285 LEU LEU A . n A 1 251 LYS 251 286 286 LYS LYS A . n A 1 252 ASP 252 287 287 ASP ASP A . n A 1 253 HIS 253 288 288 HIS HIS A . n A 1 254 SER 254 289 289 SER SER A . n A 1 255 LEU 255 290 290 LEU LEU A . n A 1 256 GLU 256 291 291 GLU GLU A . n A 1 257 ARG 257 292 292 ARG ARG A . n A 1 258 LYS 258 293 293 LYS LYS A . n A 1 259 TYR 259 294 294 TYR TYR A . n A 1 260 PHE 260 295 295 PHE PHE A . n A 1 261 GLN 261 296 296 GLN GLN A . n A 1 262 ASN 262 297 297 ASN ASN A . n A 1 263 PHE 263 298 298 PHE PHE A . n A 1 264 GLY 264 299 299 GLY GLY A . n A 1 265 TYR 265 300 300 TYR TYR A . n A 1 266 GLY 266 301 301 GLY GLY A . n A 1 267 ASN 267 302 302 ASN ASN A . n A 1 268 ILE 268 303 303 ILE ILE A . n A 1 269 ILE 269 304 304 ILE ILE A . n A 1 270 GLN 270 305 305 GLN GLN A . n A 1 271 ASP 271 306 306 ASP ASP A . n A 1 272 ASP 272 307 307 ASP ASP A . n A 1 273 HIS 273 308 308 HIS HIS A . n A 1 274 ILE 274 309 309 ILE ILE A . n A 1 275 PRO 275 310 310 PRO PRO A . n A 1 276 PHE 276 311 311 PHE PHE A . n A 1 277 LEU 277 312 312 LEU LEU A . n A 1 278 ARG 278 313 313 ARG ARG A . n A 1 279 LYS 279 314 314 LYS LYS A . n A 1 280 GLY 280 315 315 GLY GLY A . n A 1 281 VAL 281 316 316 VAL VAL A . n A 1 282 PRO 282 317 317 PRO PRO A . n A 1 283 VAL 283 318 318 VAL VAL A . n A 1 284 LEU 284 319 319 LEU LEU A . n A 1 285 HIS 285 320 320 HIS HIS A . n A 1 286 LEU 286 321 321 LEU LEU A . n A 1 287 ILE 287 322 322 ILE ILE A . n A 1 288 ALA 288 323 323 ALA ALA A . n A 1 289 SER 289 324 324 SER SER A . n A 1 290 PRO 290 325 325 PRO PRO A . n A 1 291 PHE 291 326 326 PHE PHE A . n A 1 292 PRO 292 327 327 PRO PRO A . n A 1 293 GLU 293 328 328 GLU GLU A . n A 1 294 VAL 294 329 329 VAL VAL A . n A 1 295 TRP 295 330 330 TRP TRP A . n A 1 296 HIS 296 331 331 HIS HIS A . n A 1 297 THR 297 332 332 THR THR A . n A 1 298 MET 298 333 333 MET MET A . n A 1 299 ASP 299 334 334 ASP ASP A . n A 1 300 ASP 300 335 335 ASP ASP A . n A 1 301 ASN 301 336 336 ASN ASN A . n A 1 302 GLU 302 337 337 GLU GLU A . n A 1 303 GLU 303 338 338 GLU GLU A . n A 1 304 ASN 304 339 339 ASN ASN A . n A 1 305 LEU 305 340 340 LEU LEU A . n A 1 306 HIS 306 341 341 HIS HIS A . n A 1 307 ALA 307 342 342 ALA ALA A . n A 1 308 SER 308 343 343 SER SER A . n A 1 309 THR 309 344 344 THR THR A . n A 1 310 ILE 310 345 345 ILE ILE A . n A 1 311 ASP 311 346 346 ASP ASP A . n A 1 312 ASN 312 347 347 ASN ASN A . n A 1 313 LEU 313 348 348 LEU LEU A . n A 1 314 ASN 314 349 349 ASN ASN A . n A 1 315 LYS 315 350 350 LYS LYS A . n A 1 316 ILE 316 351 351 ILE ILE A . n A 1 317 ILE 317 352 352 ILE ILE A . n A 1 318 GLN 318 353 353 GLN GLN A . n A 1 319 VAL 319 354 354 VAL VAL A . n A 1 320 PHE 320 355 355 PHE PHE A . n A 1 321 VAL 321 356 356 VAL VAL A . n A 1 322 LEU 322 357 357 LEU LEU A . n A 1 323 GLU 323 358 358 GLU GLU A . n A 1 324 TYR 324 359 359 TYR TYR A . n A 1 325 LEU 325 360 360 LEU LEU A . n A 1 326 HIS 326 361 361 HIS HIS A . n A 1 327 LEU 327 362 362 LEU LEU 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 ZN 1 601 601 ZN ZN A . C 3 NAG 1 701 701 NAG NAG A . D 3 NAG 2 702 702 NAG NAG A . E 3 NAG 3 703 703 NAG NAG A . F 4 PBD 1 999 999 PBD PBD A . G 5 SO4 1 1 1 SO4 SO4 A . H 6 ACT 1 2 2 ACT ACT A . I 7 HOH 1 4 4 HOH HOH A . I 7 HOH 2 5 5 HOH HOH A . I 7 HOH 3 6 6 HOH HOH A . I 7 HOH 4 7 7 HOH HOH A . I 7 HOH 5 8 8 HOH HOH A . I 7 HOH 6 9 9 HOH HOH A . I 7 HOH 7 10 10 HOH HOH A . I 7 HOH 8 14 14 HOH HOH A . I 7 HOH 9 15 15 HOH HOH A . I 7 HOH 10 16 16 HOH HOH A . I 7 HOH 11 17 17 HOH HOH A . I 7 HOH 12 18 18 HOH HOH A . I 7 HOH 13 19 19 HOH HOH A . I 7 HOH 14 20 20 HOH HOH A . I 7 HOH 15 21 21 HOH HOH A . I 7 HOH 16 22 22 HOH HOH A . I 7 HOH 17 23 23 HOH HOH A . I 7 HOH 18 24 24 HOH HOH A . I 7 HOH 19 25 25 HOH HOH A . I 7 HOH 20 27 27 HOH HOH A . I 7 HOH 21 28 28 HOH HOH A . I 7 HOH 22 29 29 HOH HOH A . I 7 HOH 23 33 33 HOH HOH A . I 7 HOH 24 35 35 HOH HOH A . I 7 HOH 25 185 185 HOH HOH A . I 7 HOH 26 363 36 HOH HOH A . I 7 HOH 27 364 37 HOH HOH A . I 7 HOH 28 365 39 HOH HOH A . I 7 HOH 29 366 41 HOH HOH A . I 7 HOH 30 367 367 HOH HOH A . I 7 HOH 31 368 368 HOH HOH A . I 7 HOH 32 369 369 HOH HOH A . I 7 HOH 33 370 370 HOH HOH A . I 7 HOH 34 371 371 HOH HOH A . I 7 HOH 35 372 372 HOH HOH A . I 7 HOH 36 373 373 HOH HOH A . I 7 HOH 37 374 374 HOH HOH A . I 7 HOH 38 375 375 HOH HOH A . I 7 HOH 39 376 376 HOH HOH A . I 7 HOH 40 377 377 HOH HOH A . I 7 HOH 41 378 378 HOH HOH A . I 7 HOH 42 379 379 HOH HOH A . I 7 HOH 43 380 380 HOH HOH A . I 7 HOH 44 381 381 HOH HOH A . I 7 HOH 45 382 382 HOH HOH A . I 7 HOH 46 383 383 HOH HOH A . I 7 HOH 47 384 42 HOH HOH A . I 7 HOH 48 385 385 HOH HOH A . I 7 HOH 49 386 386 HOH HOH A . I 7 HOH 50 387 387 HOH HOH A . I 7 HOH 51 388 43 HOH HOH A . I 7 HOH 52 389 44 HOH HOH A . I 7 HOH 53 390 390 HOH HOH A . I 7 HOH 54 391 391 HOH HOH A . I 7 HOH 55 392 392 HOH HOH A . I 7 HOH 56 393 45 HOH HOH A . I 7 HOH 57 394 50 HOH HOH A . I 7 HOH 58 395 51 HOH HOH A . I 7 HOH 59 396 53 HOH HOH A . I 7 HOH 60 397 54 HOH HOH A . I 7 HOH 61 398 55 HOH HOH A . I 7 HOH 62 399 56 HOH HOH A . I 7 HOH 63 400 57 HOH HOH A . I 7 HOH 64 401 401 HOH HOH A . I 7 HOH 65 402 402 HOH HOH A . I 7 HOH 66 403 403 HOH HOH A . I 7 HOH 67 404 404 HOH HOH A . I 7 HOH 68 405 405 HOH HOH A . I 7 HOH 69 406 406 HOH HOH A . I 7 HOH 70 407 407 HOH HOH A . I 7 HOH 71 408 408 HOH HOH A . I 7 HOH 72 409 409 HOH HOH A . I 7 HOH 73 410 410 HOH HOH A . I 7 HOH 74 411 411 HOH HOH A . I 7 HOH 75 412 412 HOH HOH A . I 7 HOH 76 413 413 HOH HOH A . I 7 HOH 77 414 414 HOH HOH A . I 7 HOH 78 415 415 HOH HOH A . I 7 HOH 79 416 416 HOH HOH A . I 7 HOH 80 417 417 HOH HOH A . I 7 HOH 81 418 418 HOH HOH A . I 7 HOH 82 419 419 HOH HOH A . I 7 HOH 83 420 420 HOH HOH A . I 7 HOH 84 421 421 HOH HOH A . I 7 HOH 85 422 58 HOH HOH A . I 7 HOH 86 423 423 HOH HOH A . I 7 HOH 87 424 424 HOH HOH A . I 7 HOH 88 425 60 HOH HOH A . I 7 HOH 89 426 426 HOH HOH A . I 7 HOH 90 427 63 HOH HOH A . I 7 HOH 91 428 428 HOH HOH A . I 7 HOH 92 429 429 HOH HOH A . I 7 HOH 93 430 430 HOH HOH A . I 7 HOH 94 431 431 HOH HOH A . I 7 HOH 95 432 432 HOH HOH A . I 7 HOH 96 433 433 HOH HOH A . I 7 HOH 97 434 434 HOH HOH A . I 7 HOH 98 435 435 HOH HOH A . I 7 HOH 99 436 436 HOH HOH A . I 7 HOH 100 437 437 HOH HOH A . I 7 HOH 101 438 438 HOH HOH A . I 7 HOH 102 439 439 HOH HOH A . I 7 HOH 103 440 440 HOH HOH A . I 7 HOH 104 441 441 HOH HOH A . I 7 HOH 105 442 442 HOH HOH A . I 7 HOH 106 443 443 HOH HOH A . I 7 HOH 107 444 444 HOH HOH A . I 7 HOH 108 445 445 HOH HOH A . I 7 HOH 109 446 446 HOH HOH A . I 7 HOH 110 447 447 HOH HOH A . I 7 HOH 111 448 448 HOH HOH A . I 7 HOH 112 449 449 HOH HOH A . I 7 HOH 113 450 450 HOH HOH A . I 7 HOH 114 451 451 HOH HOH A . I 7 HOH 115 452 67 HOH HOH A . I 7 HOH 116 453 453 HOH HOH A . I 7 HOH 117 454 68 HOH HOH A . I 7 HOH 118 455 455 HOH HOH A . I 7 HOH 119 456 456 HOH HOH A . I 7 HOH 120 457 457 HOH HOH A . I 7 HOH 121 458 458 HOH HOH A . I 7 HOH 122 459 459 HOH HOH A . I 7 HOH 123 460 460 HOH HOH A . I 7 HOH 124 461 461 HOH HOH A . I 7 HOH 125 462 462 HOH HOH A . I 7 HOH 126 463 463 HOH HOH A . I 7 HOH 127 464 70 HOH HOH A . I 7 HOH 128 465 465 HOH HOH A . I 7 HOH 129 466 466 HOH HOH A . I 7 HOH 130 467 467 HOH HOH A . I 7 HOH 131 468 468 HOH HOH A . I 7 HOH 132 469 469 HOH HOH A . I 7 HOH 133 470 470 HOH HOH A . I 7 HOH 134 471 471 HOH HOH A . I 7 HOH 135 472 472 HOH HOH A . I 7 HOH 136 473 71 HOH HOH A . I 7 HOH 137 474 474 HOH HOH A . I 7 HOH 138 475 72 HOH HOH A . I 7 HOH 139 476 73 HOH HOH A . I 7 HOH 140 477 74 HOH HOH A . I 7 HOH 141 478 478 HOH HOH A . I 7 HOH 142 479 479 HOH HOH A . I 7 HOH 143 480 76 HOH HOH A . I 7 HOH 144 481 78 HOH HOH A . I 7 HOH 145 482 482 HOH HOH A . I 7 HOH 146 483 483 HOH HOH A . I 7 HOH 147 484 484 HOH HOH A . I 7 HOH 148 485 485 HOH HOH A . I 7 HOH 149 486 486 HOH HOH A . I 7 HOH 150 487 487 HOH HOH A . I 7 HOH 151 488 79 HOH HOH A . I 7 HOH 152 489 489 HOH HOH A . I 7 HOH 153 490 81 HOH HOH A . I 7 HOH 154 491 491 HOH HOH A . I 7 HOH 155 492 492 HOH HOH A . I 7 HOH 156 493 493 HOH HOH A . I 7 HOH 157 494 494 HOH HOH A . I 7 HOH 158 495 495 HOH HOH A . I 7 HOH 159 496 496 HOH HOH A . I 7 HOH 160 497 497 HOH HOH A . I 7 HOH 161 498 498 HOH HOH A . I 7 HOH 162 499 499 HOH HOH A . I 7 HOH 163 500 500 HOH HOH A . I 7 HOH 164 501 501 HOH HOH A . I 7 HOH 165 502 502 HOH HOH A . I 7 HOH 166 503 503 HOH HOH A . I 7 HOH 167 504 504 HOH HOH A . I 7 HOH 168 505 505 HOH HOH A . I 7 HOH 169 506 506 HOH HOH A . I 7 HOH 170 507 507 HOH HOH A . I 7 HOH 171 508 87 HOH HOH A . I 7 HOH 172 509 509 HOH HOH A . I 7 HOH 173 510 88 HOH HOH A . I 7 HOH 174 511 91 HOH HOH A . I 7 HOH 175 512 93 HOH HOH A . I 7 HOH 176 513 94 HOH HOH A . I 7 HOH 177 514 98 HOH HOH A . I 7 HOH 178 515 100 HOH HOH A . I 7 HOH 179 516 102 HOH HOH A . I 7 HOH 180 517 104 HOH HOH A . I 7 HOH 181 518 106 HOH HOH A . I 7 HOH 182 519 107 HOH HOH A . I 7 HOH 183 520 108 HOH HOH A . I 7 HOH 184 521 109 HOH HOH A . I 7 HOH 185 522 110 HOH HOH A . I 7 HOH 186 523 111 HOH HOH A . I 7 HOH 187 524 114 HOH HOH A . I 7 HOH 188 525 116 HOH HOH A . I 7 HOH 189 526 117 HOH HOH A . I 7 HOH 190 527 121 HOH HOH A . I 7 HOH 191 528 123 HOH HOH A . I 7 HOH 192 529 124 HOH HOH A . I 7 HOH 193 530 127 HOH HOH A . I 7 HOH 194 531 128 HOH HOH A . I 7 HOH 195 532 129 HOH HOH A . I 7 HOH 196 533 131 HOH HOH A . I 7 HOH 197 534 132 HOH HOH A . I 7 HOH 198 535 133 HOH HOH A . I 7 HOH 199 536 134 HOH HOH A . I 7 HOH 200 537 135 HOH HOH A . I 7 HOH 201 538 136 HOH HOH A . I 7 HOH 202 539 137 HOH HOH A . I 7 HOH 203 540 138 HOH HOH A . I 7 HOH 204 541 140 HOH HOH A . I 7 HOH 205 542 141 HOH HOH A . I 7 HOH 206 543 145 HOH HOH A . I 7 HOH 207 544 146 HOH HOH A . I 7 HOH 208 545 147 HOH HOH A . I 7 HOH 209 546 148 HOH HOH A . I 7 HOH 210 547 149 HOH HOH A . I 7 HOH 211 548 151 HOH HOH A . I 7 HOH 212 549 154 HOH HOH A . I 7 HOH 213 550 155 HOH HOH A . I 7 HOH 214 551 156 HOH HOH A . I 7 HOH 215 552 157 HOH HOH A . I 7 HOH 216 553 158 HOH HOH A . I 7 HOH 217 554 160 HOH HOH A . I 7 HOH 218 555 163 HOH HOH A . I 7 HOH 219 556 164 HOH HOH A . I 7 HOH 220 557 165 HOH HOH A . I 7 HOH 221 558 166 HOH HOH A . I 7 HOH 222 559 167 HOH HOH A . I 7 HOH 223 560 168 HOH HOH A . I 7 HOH 224 561 169 HOH HOH A . I 7 HOH 225 562 171 HOH HOH A . I 7 HOH 226 563 172 HOH HOH A . I 7 HOH 227 564 175 HOH HOH A . I 7 HOH 228 565 177 HOH HOH A . I 7 HOH 229 566 178 HOH HOH A . I 7 HOH 230 567 180 HOH HOH A . I 7 HOH 231 568 181 HOH HOH A . I 7 HOH 232 569 182 HOH HOH A . I 7 HOH 233 570 183 HOH HOH A . I 7 HOH 234 571 184 HOH HOH A . I 7 HOH 235 572 187 HOH HOH A . I 7 HOH 236 573 189 HOH HOH A . I 7 HOH 237 574 190 HOH HOH A . I 7 HOH 238 575 192 HOH HOH A . I 7 HOH 239 576 193 HOH HOH A . I 7 HOH 240 577 194 HOH HOH A . I 7 HOH 241 578 195 HOH HOH A . I 7 HOH 242 579 198 HOH HOH A . I 7 HOH 243 580 199 HOH HOH A . I 7 HOH 244 581 200 HOH HOH A . I 7 HOH 245 582 201 HOH HOH A . I 7 HOH 246 583 202 HOH HOH A . I 7 HOH 247 584 203 HOH HOH A . I 7 HOH 248 585 204 HOH HOH A . I 7 HOH 249 586 205 HOH HOH A . I 7 HOH 250 587 206 HOH HOH A . I 7 HOH 251 588 209 HOH HOH A . I 7 HOH 252 589 210 HOH HOH A . I 7 HOH 253 590 211 HOH HOH A . I 7 HOH 254 591 212 HOH HOH A . I 7 HOH 255 592 213 HOH HOH A . I 7 HOH 256 593 214 HOH HOH A . I 7 HOH 257 594 216 HOH HOH A . I 7 HOH 258 595 217 HOH HOH A . I 7 HOH 259 596 218 HOH HOH A . I 7 HOH 260 597 219 HOH HOH A . I 7 HOH 261 598 220 HOH HOH A . I 7 HOH 262 599 221 HOH HOH A . I 7 HOH 263 600 226 HOH HOH A . I 7 HOH 264 602 228 HOH HOH A . I 7 HOH 265 603 230 HOH HOH A . I 7 HOH 266 604 232 HOH HOH A . I 7 HOH 267 605 233 HOH HOH A . I 7 HOH 268 606 236 HOH HOH A . I 7 HOH 269 607 237 HOH HOH A . I 7 HOH 270 608 238 HOH HOH A . I 7 HOH 271 609 239 HOH HOH A . I 7 HOH 272 610 243 HOH HOH A . I 7 HOH 273 611 244 HOH HOH A . I 7 HOH 274 612 245 HOH HOH A . I 7 HOH 275 613 247 HOH HOH A . I 7 HOH 276 614 248 HOH HOH A . I 7 HOH 277 615 250 HOH HOH A . I 7 HOH 278 616 253 HOH HOH A . I 7 HOH 279 617 257 HOH HOH A . I 7 HOH 280 618 261 HOH HOH A . I 7 HOH 281 619 263 HOH HOH A . I 7 HOH 282 620 265 HOH HOH A . I 7 HOH 283 621 266 HOH HOH A . I 7 HOH 284 622 267 HOH HOH A . I 7 HOH 285 623 268 HOH HOH A . I 7 HOH 286 624 272 HOH HOH A . I 7 HOH 287 625 273 HOH HOH A . I 7 HOH 288 626 274 HOH HOH A . I 7 HOH 289 627 276 HOH HOH A . I 7 HOH 290 628 277 HOH HOH A . I 7 HOH 291 629 278 HOH HOH A . I 7 HOH 292 630 279 HOH HOH A . I 7 HOH 293 631 282 HOH HOH A . I 7 HOH 294 632 283 HOH HOH A . I 7 HOH 295 633 285 HOH HOH A . I 7 HOH 296 634 287 HOH HOH A . I 7 HOH 297 635 288 HOH HOH A . I 7 HOH 298 636 289 HOH HOH A . I 7 HOH 299 637 290 HOH HOH A . I 7 HOH 300 638 291 HOH HOH A . I 7 HOH 301 639 292 HOH HOH A . I 7 HOH 302 640 293 HOH HOH A . I 7 HOH 303 641 294 HOH HOH A . I 7 HOH 304 642 295 HOH HOH A . I 7 HOH 305 643 296 HOH HOH A . I 7 HOH 306 644 300 HOH HOH A . I 7 HOH 307 645 301 HOH HOH A . I 7 HOH 308 646 302 HOH HOH A . I 7 HOH 309 647 303 HOH HOH A . I 7 HOH 310 648 304 HOH HOH A . I 7 HOH 311 649 305 HOH HOH A . I 7 HOH 312 650 306 HOH HOH A . I 7 HOH 313 651 308 HOH HOH A . I 7 HOH 314 652 309 HOH HOH A . I 7 HOH 315 653 312 HOH HOH A . I 7 HOH 316 654 315 HOH HOH A . I 7 HOH 317 655 316 HOH HOH A . I 7 HOH 318 656 319 HOH HOH A . I 7 HOH 319 657 321 HOH HOH A . I 7 HOH 320 658 322 HOH HOH A . I 7 HOH 321 659 325 HOH HOH A . I 7 HOH 322 660 326 HOH HOH A . I 7 HOH 323 661 327 HOH HOH A . I 7 HOH 324 662 332 HOH HOH A . I 7 HOH 325 663 333 HOH HOH A . I 7 HOH 326 664 334 HOH HOH A . I 7 HOH 327 665 335 HOH HOH A . I 7 HOH 328 666 338 HOH HOH A . I 7 HOH 329 667 339 HOH HOH A . I 7 HOH 330 668 341 HOH HOH A . I 7 HOH 331 669 344 HOH HOH A . I 7 HOH 332 670 345 HOH HOH A . I 7 HOH 333 671 346 HOH HOH A . I 7 HOH 334 672 347 HOH HOH A . I 7 HOH 335 673 348 HOH HOH A . I 7 HOH 336 674 349 HOH HOH A . I 7 HOH 337 675 350 HOH HOH A . I 7 HOH 338 676 353 HOH HOH A . I 7 HOH 339 677 354 HOH HOH A . I 7 HOH 340 678 355 HOH HOH A . I 7 HOH 341 679 358 HOH HOH A . I 7 HOH 342 680 359 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 15 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 50 _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 # _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_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE2 ? A GLU 168 ? A GLU 203 ? 1_555 ZN ? B ZN . ? A ZN 601 ? 1_555 OD2 ? A ASP 125 ? A ASP 160 ? 1_555 104.6 ? 2 OE2 ? A GLU 168 ? A GLU 203 ? 1_555 ZN ? B ZN . ? A ZN 601 ? 1_555 NAM ? F PBD . ? A PBD 999 ? 1_555 109.8 ? 3 OD2 ? A ASP 125 ? A ASP 160 ? 1_555 ZN ? B ZN . ? A ZN 601 ? 1_555 NAM ? F PBD . ? A PBD 999 ? 1_555 115.4 ? 4 OE2 ? A GLU 168 ? A GLU 203 ? 1_555 ZN ? B ZN . ? A ZN 601 ? 1_555 NE2 ? A HIS 296 ? A HIS 331 ? 1_555 114.0 ? 5 OD2 ? A ASP 125 ? A ASP 160 ? 1_555 ZN ? B ZN . ? A ZN 601 ? 1_555 NE2 ? A HIS 296 ? A HIS 331 ? 1_555 103.4 ? 6 NAM ? F PBD . ? A PBD 999 ? 1_555 ZN ? B ZN . ? A ZN 601 ? 1_555 NE2 ? A HIS 296 ? A HIS 331 ? 1_555 109.6 ? # 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 2011-06-29 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2011-07-27 4 'Structure model' 1 3 2011-08-31 5 'Structure model' 1 4 2017-11-08 # _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' 'Version format compliance' 2 3 'Structure model' 'Database references' 3 4 'Structure model' 'Structure summary' 4 5 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 5 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 5 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # _pdbx_phasing_MR.entry_id 3SI2 _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details 'Phaser MODE: MR_AUTO' _pdbx_phasing_MR.R_factor 42.010 _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 2.500 _pdbx_phasing_MR.d_res_low_rotation 29.890 _pdbx_phasing_MR.d_res_high_translation 2.500 _pdbx_phasing_MR.d_res_low_translation 29.890 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 XSCALE . ? package 'Wolfgang Kabsch' ? 'data scaling' http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xscale_program.html ? ? 2 PHASER 2.1.1 'Wed Nov 21 03:35:27 2007' program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 3 REFMAC 5.5.0102 ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 4 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 MAR345dtb . ? ? ? ? 'data collection' ? ? ? 6 XDS . ? ? ? ? 'data reduction' ? ? ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OG A SER 233 ? ? OG1 A THR 236 ? ? 2.14 2 1 O A HOH 579 ? ? O A HOH 653 ? ? 2.17 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 560 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 A _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 648 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 3_554 _pdbx_validate_symm_contact.dist 2.16 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 313 ? ? CZ A ARG 313 ? ? NH1 A ARG 313 ? ? 125.09 120.30 4.79 0.50 N 2 1 NE A ARG 313 ? ? CZ A ARG 313 ? ? NH2 A ARG 313 ? ? 115.86 120.30 -4.44 0.50 N # 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 ARG A 78 ? ? -146.00 46.26 2 1 SER A 193 ? ? -143.32 -158.51 3 1 HIS A 206 ? ? -130.17 -60.20 4 1 SER A 213 ? ? 177.02 158.67 5 1 PHE A 298 ? ? -102.79 44.03 6 1 TYR A 300 ? ? -52.27 109.10 7 1 ASP A 306 ? ? -175.78 -179.88 # 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 VAL 185 ? A VAL 150 2 1 Y 1 A SER 186 ? A SER 151 3 1 Y 1 A GLY 187 ? A GLY 152 4 1 Y 1 A SER 188 ? A SER 153 5 1 Y 1 A LYS 189 ? A LYS 154 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'ZINC ION' ZN 3 N-ACETYL-D-GLUCOSAMINE NAG 4 '1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea' PBD 5 'SULFATE ION' SO4 6 'ACETATE ION' ACT 7 water HOH #