data_3MJN # _entry.id 3MJN # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3MJN RCSB RCSB058627 WWPDB D_1000058627 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2DWA . unspecified PDB 2DXY . unspecified PDB 3IBO . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3MJN _pdbx_database_status.recvd_initial_deposition_date 2010-04-13 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _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 # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Srivastava, K.' 1 'Vikram, G.' 2 'Kaushik, S.' 3 'Sinha, M.' 4 'Kaur, P.' 5 'Sharma, S.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title 'Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Srivastava, K.' 1 primary 'Vikram, G.' 2 primary 'Kaushik, S.' 3 primary 'Sinha, M.' 4 primary 'Kaur, P.' 5 primary 'Sharma, S.' 6 primary 'Singh, T.P.' 7 # _cell.entry_id 3MJN _cell.length_a 63.107 _cell.length_b 50.248 _cell.length_c 65.654 _cell.angle_alpha 90.00 _cell.angle_beta 107.82 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.entry_id 3MJN _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # 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 nat Lactotransferrin 37655.504 1 3.4.21.- 'N565K, K608E' 'C-lobe (UNP RESIDUES 361-705)' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 5 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 6 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 7 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 8 non-polymer syn '(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL' 257.328 1 ? ? ? ? 9 water nat water 18.015 238 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Lactoferrin, Lactoferricin-B, Lfcin-B' # _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 ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_seq_one_letter_code_can ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _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 TYR n 1 2 THR n 1 3 ARG n 1 4 VAL n 1 5 VAL n 1 6 TRP n 1 7 CYS n 1 8 ALA n 1 9 VAL n 1 10 GLY n 1 11 PRO n 1 12 GLU n 1 13 GLU n 1 14 GLN n 1 15 LYS n 1 16 LYS n 1 17 CYS n 1 18 GLN n 1 19 GLN n 1 20 TRP n 1 21 SER n 1 22 GLN n 1 23 GLN n 1 24 SER n 1 25 GLY n 1 26 GLN n 1 27 ASN n 1 28 VAL n 1 29 THR n 1 30 CYS n 1 31 ALA n 1 32 THR n 1 33 ALA n 1 34 SER n 1 35 THR n 1 36 THR n 1 37 ASP n 1 38 ASP n 1 39 CYS n 1 40 ILE n 1 41 VAL n 1 42 LEU n 1 43 VAL n 1 44 LEU n 1 45 LYS n 1 46 GLY n 1 47 GLU n 1 48 ALA n 1 49 ASP n 1 50 ALA n 1 51 LEU n 1 52 ASN n 1 53 LEU n 1 54 ASP n 1 55 GLY n 1 56 GLY n 1 57 TYR n 1 58 ILE n 1 59 TYR n 1 60 THR n 1 61 ALA n 1 62 GLY n 1 63 LYS n 1 64 CYS n 1 65 GLY n 1 66 LEU n 1 67 VAL n 1 68 PRO n 1 69 VAL n 1 70 LEU n 1 71 ALA n 1 72 GLU n 1 73 ASN n 1 74 ARG n 1 75 LYS n 1 76 SER n 1 77 SER n 1 78 LYS n 1 79 HIS n 1 80 SER n 1 81 SER n 1 82 LEU n 1 83 ASP n 1 84 CYS n 1 85 VAL n 1 86 LEU n 1 87 ARG n 1 88 PRO n 1 89 THR n 1 90 GLU n 1 91 GLY n 1 92 TYR n 1 93 LEU n 1 94 ALA n 1 95 VAL n 1 96 ALA n 1 97 VAL n 1 98 VAL n 1 99 LYS n 1 100 LYS n 1 101 ALA n 1 102 ASN n 1 103 GLU n 1 104 GLY n 1 105 LEU n 1 106 THR n 1 107 TRP n 1 108 ASN n 1 109 SER n 1 110 LEU n 1 111 LYS n 1 112 ASP n 1 113 LYS n 1 114 LYS n 1 115 SER n 1 116 CYS n 1 117 HIS n 1 118 THR n 1 119 ALA n 1 120 VAL n 1 121 ASP n 1 122 ARG n 1 123 THR n 1 124 ALA n 1 125 GLY n 1 126 TRP n 1 127 ASN n 1 128 ILE n 1 129 PRO n 1 130 MET n 1 131 GLY n 1 132 LEU n 1 133 ILE n 1 134 VAL n 1 135 ASN n 1 136 GLN n 1 137 THR n 1 138 GLY n 1 139 SER n 1 140 CYS n 1 141 ALA n 1 142 PHE n 1 143 ASP n 1 144 GLU n 1 145 PHE n 1 146 PHE n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 CYS n 1 151 ALA n 1 152 PRO n 1 153 GLY n 1 154 ALA n 1 155 ASP n 1 156 PRO n 1 157 LYS n 1 158 SER n 1 159 ARG n 1 160 LEU n 1 161 CYS n 1 162 ALA n 1 163 LEU n 1 164 CYS n 1 165 ALA n 1 166 GLY n 1 167 ASP n 1 168 ASP n 1 169 GLN n 1 170 GLY n 1 171 LEU n 1 172 ASP n 1 173 LYS n 1 174 CYS n 1 175 VAL n 1 176 PRO n 1 177 ASN n 1 178 SER n 1 179 LYS n 1 180 GLU n 1 181 LYS n 1 182 TYR n 1 183 TYR n 1 184 GLY n 1 185 TYR n 1 186 THR n 1 187 GLY n 1 188 ALA n 1 189 PHE n 1 190 ARG n 1 191 CYS n 1 192 LEU n 1 193 ALA n 1 194 GLU n 1 195 ASP n 1 196 VAL n 1 197 GLY n 1 198 ASP n 1 199 VAL n 1 200 ALA n 1 201 PHE n 1 202 VAL n 1 203 LYS n 1 204 ASN n 1 205 ASP n 1 206 THR n 1 207 VAL n 1 208 TRP n 1 209 GLU n 1 210 ASN n 1 211 THR n 1 212 ASN n 1 213 GLY n 1 214 GLU n 1 215 SER n 1 216 THR n 1 217 ALA n 1 218 ASP n 1 219 TRP n 1 220 ALA n 1 221 LYS n 1 222 ASN n 1 223 LEU n 1 224 LYS n 1 225 ARG n 1 226 GLU n 1 227 ASP n 1 228 PHE n 1 229 ARG n 1 230 LEU n 1 231 LEU n 1 232 CYS n 1 233 LEU n 1 234 ASP n 1 235 GLY n 1 236 THR n 1 237 ARG n 1 238 LYS n 1 239 PRO n 1 240 VAL n 1 241 THR n 1 242 GLU n 1 243 ALA n 1 244 GLN n 1 245 SER n 1 246 CYS n 1 247 HIS n 1 248 LEU n 1 249 ALA n 1 250 VAL n 1 251 ALA n 1 252 PRO n 1 253 ASN n 1 254 HIS n 1 255 ALA n 1 256 VAL n 1 257 VAL n 1 258 SER n 1 259 ARG n 1 260 SER n 1 261 ASP n 1 262 ARG n 1 263 ALA n 1 264 ALA n 1 265 HIS n 1 266 VAL n 1 267 GLU n 1 268 GLN n 1 269 VAL n 1 270 LEU n 1 271 LEU n 1 272 HIS n 1 273 GLN n 1 274 GLN n 1 275 ALA n 1 276 LEU n 1 277 PHE n 1 278 GLY n 1 279 LYS n 1 280 ASN n 1 281 GLY n 1 282 LYS n 1 283 ASN n 1 284 CYS n 1 285 PRO n 1 286 ASP n 1 287 LYS n 1 288 PHE n 1 289 CYS n 1 290 LEU n 1 291 PHE n 1 292 LYS n 1 293 SER n 1 294 GLU n 1 295 THR n 1 296 LYS n 1 297 ASN n 1 298 LEU n 1 299 LEU n 1 300 PHE n 1 301 ASN n 1 302 ASP n 1 303 ASN n 1 304 THR n 1 305 GLU n 1 306 CYS n 1 307 LEU n 1 308 ALA n 1 309 LYS n 1 310 LEU n 1 311 GLY n 1 312 GLY n 1 313 ARG n 1 314 PRO n 1 315 THR n 1 316 TYR n 1 317 GLU n 1 318 GLU n 1 319 TYR n 1 320 LEU n 1 321 GLY n 1 322 THR n 1 323 GLU n 1 324 TYR n 1 325 VAL n 1 326 THR n 1 327 ALA n 1 328 ILE n 1 329 ALA n 1 330 ASN n 1 331 LEU n 1 332 LYS n 1 333 LYS n 1 334 CYS n 1 335 SER n 1 336 THR n 1 337 SER n 1 338 PRO n 1 339 LEU n 1 340 LEU n 1 341 GLU n 1 342 ALA n 1 343 CYS n 1 344 ALA n 1 345 PHE n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name bovine _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRFL_BOVIN _struct_ref.pdbx_db_accession P24627 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _struct_ref.pdbx_align_begin 361 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3MJN _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 345 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P24627 _struct_ref_seq.db_align_beg 361 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 705 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 342 _struct_ref_seq.pdbx_auth_seq_align_end 686 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3MJN LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3MJN GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 RNP non-polymer . '(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL' ? 'C16 H19 N O2' 257.328 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.entry_id 3MJN _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.63 _exptl_crystal.density_percent_sol 53.26 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 300 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2010-04-05 _diffrn_detector.details MIRROR # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.541 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.541 # _reflns.entry_id 3MJN _reflns.observed_criterion_sigma_I 0.00 _reflns.observed_criterion_sigma_F 0.00 _reflns.d_resolution_low 62.5 _reflns.d_resolution_high 2.38 _reflns.number_obs 15943 _reflns.number_all 15943 _reflns.percent_possible_obs 97.4 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.094 _reflns.pdbx_netI_over_sigmaI 9.1 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _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_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 2.38 _reflns_shell.d_res_low 2.44 _reflns_shell.percent_possible_all 94.7 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.448 _reflns_shell.meanI_over_sigI_obs 1.9 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 3MJN _refine.ls_number_reflns_obs 14746 _refine.ls_number_reflns_all 15519 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 62.50 _refine.ls_d_res_high 2.38 _refine.ls_percent_reflns_obs 97.42 _refine.ls_R_factor_obs 0.17417 _refine.ls_R_factor_all 0.176 _refine.ls_R_factor_R_work 0.17148 _refine.ls_R_factor_R_free 0.21142 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 773 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.954 _refine.correlation_coeff_Fo_to_Fc_free 0.919 _refine.B_iso_mean 34.214 _refine.aniso_B[1][1] 0.32 _refine.aniso_B[2][2] -0.60 _refine.aniso_B[3][3] -0.54 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.33 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 2DWA _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.427 _refine.pdbx_overall_ESU_R_Free 0.243 _refine.overall_SU_ML 0.172 _refine.overall_SU_B 7.281 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.pdbx_diffrn_id 1 _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 2604 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 126 _refine_hist.number_atoms_solvent 238 _refine_hist.number_atoms_total 2968 _refine_hist.d_res_high 2.38 _refine_hist.d_res_low 62.50 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.011 0.022 ? 2791 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.428 2.000 ? 3793 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.630 5.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 39.053 25.169 ? 118 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 17.331 15.000 ? 448 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 19.539 15.000 ? 12 'X-RAY DIFFRACTION' ? r_chiral_restr 0.086 0.200 ? 435 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.020 ? 2044 'X-RAY DIFFRACTION' ? r_nbd_refined 0.212 0.200 ? 1227 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.305 0.200 ? 1906 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.133 0.200 ? 209 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.032 0.200 ? 1 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.303 0.200 ? 46 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.384 0.200 ? 20 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined 0.131 0.200 ? 3 'X-RAY DIFFRACTION' ? r_mcbond_it 0.844 1.500 ? 1732 'X-RAY DIFFRACTION' ? r_mcangle_it 1.516 2.000 ? 2705 'X-RAY DIFFRACTION' ? r_scbond_it 2.100 3.000 ? 1186 'X-RAY DIFFRACTION' ? r_scangle_it 3.644 4.500 ? 1088 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.380 _refine_ls_shell.d_res_low 2.442 _refine_ls_shell.number_reflns_R_work 1048 _refine_ls_shell.R_factor_R_work 0.233 _refine_ls_shell.percent_reflns_obs 94.80 _refine_ls_shell.R_factor_R_free 0.287 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 46 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3MJN _struct.title 'Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution' _struct.pdbx_descriptor 'Lactotransferrin (E.C.3.4.21.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3MJN _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'COMPLEX, PROPRANOLOL, C-LOBE, HYDROLASE' # 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 2 ? D N N 3 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? I N N 4 ? J N N 5 ? K N N 6 ? L N N 6 ? M N N 7 ? N N N 8 ? O N N 9 ? # _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 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P5 5 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P6 6 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P7 7 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P8 8 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P9 9 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P10 10 PRO A 239 ? ALA A 243 ? PRO A 580 ALA A 584 5 ? 5 HELX_P HELX_P11 11 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P12 12 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P13 13 GLY A 321 ? LYS A 333 ? GLY A 662 LYS A 674 1 ? 13 # _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 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.005 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.042 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.046 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.010 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.030 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.021 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.013 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 1.983 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.042 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.026 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 368 A NAG 687 1_555 ? ? ? ? ? ? ? 1.439 ? covale2 covale ? ? C NAG . O4 ? ? ? 1_555 D BMA . C1 ? ? A NAG 2 A BMA 3 1_555 ? ? ? ? ? ? ? 1.440 ? covale3 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1 A NAG 2 1_555 ? ? ? ? ? ? ? 1.445 ? covale4 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 689 A NAG 690 1_555 ? ? ? ? ? ? ? 1.446 ? covale5 covale ? ? A ASN 135 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 476 A NAG 1 1_555 ? ? ? ? ? ? ? 1.447 ? covale6 covale ? ? A ASN 204 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 545 A NAG 689 1_555 ? ? ? ? ? ? ? 1.449 ? covale7 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 687 A NAG 688 1_555 ? ? ? ? ? ? ? 1.454 ? metalc1 metalc ? ? A TYR 185 OH ? ? ? 1_555 I FE . FE ? ? A TYR 526 A FE 1001 1_555 ? ? ? ? ? ? ? 1.929 ? metalc2 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 I FE . FE ? ? A ASP 395 A FE 1001 1_555 ? ? ? ? ? ? ? 2.002 ? metalc3 metalc ? ? A TYR 92 OH ? ? ? 1_555 I FE . FE ? ? A TYR 433 A FE 1001 1_555 ? ? ? ? ? ? ? 2.016 ? metalc4 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 K ZN . ZN ? ? A GLU 659 A ZN 1003 1_555 ? ? ? ? ? ? ? 2.072 ? metalc5 metalc ? ? I FE . FE ? ? ? 1_555 J CO3 . O2 ? ? A FE 1001 A CO3 1002 1_555 ? ? ? ? ? ? ? 2.084 ? metalc6 metalc ? ? L ZN . ZN ? ? ? 1_555 O HOH . O ? ? A ZN 1004 A HOH 50 1_555 ? ? ? ? ? ? ? 2.089 ? metalc7 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 L ZN . ZN ? ? A HIS 588 A ZN 1004 1_555 ? ? ? ? ? ? ? 2.163 ? metalc8 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 I FE . FE ? ? A HIS 595 A FE 1001 1_555 ? ? ? ? ? ? ? 2.283 ? metalc9 metalc ? ? I FE . FE ? ? ? 1_555 J CO3 . O1 ? ? A FE 1001 A CO3 1002 1_555 ? ? ? ? ? ? ? 2.318 ? metalc10 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 K ZN . ZN ? ? A GLU 659 A ZN 1003 1_555 ? ? ? ? ? ? ? 2.463 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # 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 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ARG A 74 ? LEU A 407 ARG A 415 B 4 THR A 304 ? LYS A 309 ? THR A 645 LYS A 650 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # 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 TRP A 6 ? N TRP A 347 O THR A 29 ? O THR A 370 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O SER A 258 ? O SER A 599 N VAL A 67 ? N VAL A 408 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 C 4 5 N VAL A 98 ? N VAL A 439 O ARG A 229 ? O ARG A 570 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 D 3 4 O ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 1' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE BMA A 3' AC4 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 687' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 688' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 689' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 690' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 1001' AC9 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 1002' BC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 1003' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 1004' BC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 1005' BC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE RNP A 691' # 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 6 NAG C . ? NAG A 2 . ? 1_555 ? 2 AC1 6 HOH O . ? HOH A 76 . ? 1_555 ? 3 AC1 6 HOH O . ? HOH A 211 . ? 1_555 ? 4 AC1 6 ASN A 135 ? ASN A 476 . ? 1_555 ? 5 AC1 6 ALA A 327 ? ALA A 668 . ? 1_555 ? 6 AC1 6 ASN A 330 ? ASN A 671 . ? 1_555 ? 7 AC2 4 NAG B . ? NAG A 1 . ? 1_555 ? 8 AC2 4 BMA D . ? BMA A 3 . ? 1_555 ? 9 AC2 4 THR A 326 ? THR A 667 . ? 1_555 ? 10 AC2 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 11 AC3 6 NAG C . ? NAG A 2 . ? 1_555 ? 12 AC3 6 HOH O . ? HOH A 57 . ? 1_555 ? 13 AC3 6 HOH O . ? HOH A 225 . ? 1_555 ? 14 AC3 6 HOH O . ? HOH A 226 . ? 1_555 ? 15 AC3 6 HOH O . ? HOH A 235 . ? 1_555 ? 16 AC3 6 HOH O . ? HOH A 288 . ? 1_555 ? 17 AC4 7 THR A 2 ? THR A 343 . ? 1_555 ? 18 AC4 7 SER A 24 ? SER A 365 . ? 1_555 ? 19 AC4 7 ASN A 27 ? ASN A 368 . ? 1_555 ? 20 AC4 7 HIS A 272 ? HIS A 613 . ? 1_555 ? 21 AC4 7 GLN A 273 ? GLN A 614 . ? 1_555 ? 22 AC4 7 LEU A 276 ? LEU A 617 . ? 1_555 ? 23 AC4 7 NAG F . ? NAG A 688 . ? 1_555 ? 24 AC5 3 HOH O . ? HOH A 103 . ? 1_555 ? 25 AC5 3 HOH O . ? HOH A 147 . ? 1_555 ? 26 AC5 3 NAG E . ? NAG A 687 . ? 1_555 ? 27 AC6 6 HOH O . ? HOH A 187 . ? 1_555 ? 28 AC6 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 29 AC6 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 30 AC6 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 31 AC6 6 GLN A 244 ? GLN A 585 . ? 1_555 ? 32 AC6 6 NAG H . ? NAG A 690 . ? 1_555 ? 33 AC7 3 HOH O . ? HOH A 44 . ? 1_555 ? 34 AC7 3 TRP A 208 ? TRP A 549 . ? 1_555 ? 35 AC7 3 NAG G . ? NAG A 689 . ? 1_555 ? 36 AC8 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 37 AC8 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 38 AC8 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 39 AC8 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 40 AC8 5 CO3 J . ? CO3 A 1002 . ? 1_555 ? 41 AC9 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 42 AC9 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 43 AC9 10 THR A 118 ? THR A 459 . ? 1_555 ? 44 AC9 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 45 AC9 10 THR A 123 ? THR A 464 . ? 1_555 ? 46 AC9 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 47 AC9 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 48 AC9 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 49 AC9 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 50 AC9 10 FE I . ? FE A 1001 . ? 1_555 ? 51 BC1 2 GLY A 312 ? GLY A 653 . ? 1_555 ? 52 BC1 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 53 BC2 2 HOH O . ? HOH A 50 . ? 1_555 ? 54 BC2 2 HIS A 247 ? HIS A 588 . ? 1_555 ? 55 BC3 6 HOH O . ? HOH A 114 . ? 1_555 ? 56 BC3 6 HOH O . ? HOH A 134 . ? 1_555 ? 57 BC3 6 HOH O . ? HOH A 230 . ? 1_555 ? 58 BC3 6 HOH O . ? HOH A 231 . ? 1_555 ? 59 BC3 6 ARG A 229 ? ARG A 570 . ? 1_555 ? 60 BC3 6 ARG A 237 ? ARG A 578 . ? 1_555 ? 61 BC4 8 THR A 89 ? THR A 430 . ? 1_555 ? 62 BC4 8 PRO A 252 ? PRO A 593 . ? 1_555 ? 63 BC4 8 ASN A 253 ? ASN A 594 . ? 1_555 ? 64 BC4 8 GLY A 311 ? GLY A 652 . ? 1_555 ? 65 BC4 8 GLY A 312 ? GLY A 653 . ? 1_555 ? 66 BC4 8 PRO A 314 ? PRO A 655 . ? 1_555 ? 67 BC4 8 GLU A 318 ? GLU A 659 . ? 1_555 ? 68 BC4 8 TYR A 319 ? TYR A 660 . ? 1_555 ? # _database_PDB_matrix.entry_id 3MJN _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3MJN _atom_sites.fract_transf_matrix[1][1] 0.015846 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005094 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019901 _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] 0.015999 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C FE 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 . TYR A 1 1 ? 7.195 12.024 30.652 1.00 59.31 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 7.089 13.026 29.545 1.00 58.98 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 7.897 12.608 28.315 1.00 57.82 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 9.074 12.221 28.417 1.00 57.92 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 7.451 14.451 30.017 1.00 59.88 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 6.549 14.980 31.128 1.00 61.50 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 5.189 14.608 31.199 1.00 62.74 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 7.043 15.861 32.103 1.00 63.03 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 4.347 15.092 32.222 1.00 62.80 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 6.203 16.348 33.135 1.00 63.40 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 4.859 15.959 33.182 1.00 62.42 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 4.033 16.433 34.181 1.00 61.78 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 7.230 12.691 27.162 1.00 55.87 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 7.735 12.217 25.868 1.00 53.95 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 7.544 10.691 25.668 1.00 51.68 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 7.669 10.186 24.532 1.00 51.67 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 9.190 12.715 25.599 1.00 54.48 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 9.209 14.151 25.661 1.00 55.68 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 9.694 12.271 24.229 1.00 55.21 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 7.209 9.980 26.755 1.00 48.19 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 6.915 8.537 26.711 1.00 44.99 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 5.440 8.200 27.006 1.00 41.78 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 4.920 8.517 28.069 1.00 41.52 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 7.851 7.777 27.655 1.00 45.66 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 7.673 6.252 27.691 1.00 48.72 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 9.031 5.557 27.633 1.00 54.49 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 10.128 6.529 27.712 1.00 59.27 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 11.330 6.381 27.147 1.00 62.37 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 12.241 7.342 27.285 1.00 62.82 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 11.630 5.286 26.442 1.00 63.05 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 4.786 7.546 26.051 1.00 37.69 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 3.364 7.225 26.128 1.00 33.57 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 3.169 5.697 26.158 1.00 31.30 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 3.770 4.973 25.382 1.00 30.51 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 2.595 7.895 24.949 1.00 33.39 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 1.228 7.281 24.742 1.00 32.83 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 2.482 9.388 25.171 1.00 32.20 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 2.365 5.208 27.092 1.00 28.60 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 2.021 3.786 27.113 1.00 26.25 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 0.690 3.576 26.377 1.00 24.50 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? -0.340 4.088 26.801 1.00 23.90 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 1.926 3.253 28.551 1.00 26.28 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 1.524 1.776 28.558 1.00 24.79 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 3.246 3.487 29.276 1.00 25.63 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 0.728 2.843 25.272 1.00 22.48 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? -0.477 2.564 24.498 1.00 21.71 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? -1.179 1.303 24.997 1.00 21.53 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? -0.506 0.310 25.322 1.00 21.62 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? -0.136 2.387 23.026 1.00 21.29 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? -1.305 2.699 22.128 1.00 21.23 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? -2.175 1.806 21.559 1.00 18.45 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? -1.741 4.004 21.726 1.00 19.93 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? -3.106 2.477 20.825 1.00 20.01 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? -2.869 3.825 20.904 1.00 19.83 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? -1.285 5.309 21.987 1.00 20.63 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? -3.551 4.903 20.317 1.00 21.28 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? -1.966 6.386 21.412 1.00 20.24 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? -3.090 6.176 20.594 1.00 20.51 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? -2.515 1.318 25.056 1.00 20.12 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? -3.213 0.109 25.462 1.00 19.60 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? -3.740 -0.686 24.287 1.00 19.75 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? -4.661 -0.248 23.609 1.00 19.33 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? -4.358 0.412 26.424 1.00 19.57 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? -4.847 -1.042 27.359 1.00 20.17 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? -3.169 -1.877 24.090 1.00 20.06 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? -3.573 -2.823 23.043 1.00 19.78 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? -4.653 -3.791 23.507 1.00 19.84 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? -4.554 -4.352 24.593 1.00 20.23 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? -2.356 -3.601 22.555 1.00 19.95 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? -5.675 -4.003 22.674 1.00 19.72 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? -6.769 -4.917 23.006 1.00 19.38 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? -6.544 -6.267 22.331 1.00 20.23 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? -6.696 -6.405 21.113 1.00 20.30 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? -8.159 -4.311 22.660 1.00 19.53 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? -9.302 -5.274 22.999 1.00 18.41 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? -8.343 -2.974 23.389 1.00 17.88 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? -6.133 -7.260 23.091 1.00 20.73 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? -5.917 -8.589 22.528 1.00 21.32 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? -4.496 -8.772 22.000 1.00 22.49 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? -3.746 -7.801 21.854 1.00 22.30 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? -4.135 -10.023 21.729 1.00 23.34 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? -2.774 -10.380 21.314 1.00 23.37 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? -2.312 -9.765 19.995 1.00 23.84 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? -1.158 -9.344 19.908 1.00 23.85 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? -2.845 -11.904 21.179 1.00 23.43 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? -3.913 -12.310 22.130 1.00 24.07 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? -4.931 -11.206 22.099 1.00 23.35 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? -3.177 -9.715 18.987 1.00 24.06 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? -2.762 -9.168 17.685 1.00 24.23 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? -2.487 -7.680 17.733 1.00 23.89 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? -1.608 -7.193 17.017 1.00 24.17 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? -3.838 -9.445 16.643 1.00 24.36 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? -4.174 -10.904 16.433 1.00 26.59 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? -5.048 -11.121 15.230 1.00 31.24 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? -6.149 -10.517 15.157 1.00 31.33 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? -4.644 -11.897 14.348 1.00 34.48 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? -3.240 -6.955 18.557 1.00 22.93 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? -2.953 -5.533 18.760 1.00 22.62 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? -1.669 -5.375 19.551 1.00 22.87 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? -0.928 -4.414 19.342 1.00 22.61 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? -4.111 -4.810 19.456 1.00 22.18 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? -5.301 -4.566 18.548 1.00 21.35 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? -6.094 -3.344 18.927 1.00 21.95 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? -5.959 -2.857 20.074 1.00 24.17 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? -6.873 -2.867 18.083 1.00 21.59 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? -1.413 -6.322 20.462 1.00 23.55 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? -0.173 -6.327 21.226 1.00 24.03 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 1.040 -6.471 20.310 1.00 23.90 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 1.967 -5.675 20.376 1.00 23.35 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? -0.165 -7.403 22.306 1.00 23.97 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 1.105 -7.341 23.132 1.00 26.75 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 1.192 -8.428 24.157 1.00 32.69 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 1.209 -9.617 23.839 1.00 34.50 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 1.249 -8.028 25.417 1.00 38.08 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 1.000 -7.478 19.439 1.00 24.85 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 2.030 -7.673 18.427 1.00 25.22 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 2.230 -6.417 17.560 1.00 24.54 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 3.353 -5.971 17.384 1.00 25.02 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 1.743 -8.923 17.596 1.00 25.71 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 2.635 -9.089 16.363 1.00 29.31 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 3.175 -10.522 16.300 1.00 35.90 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 2.279 -11.476 15.491 1.00 38.19 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 2.946 -11.818 14.187 1.00 39.20 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 1.158 -5.819 17.051 1.00 24.10 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 1.331 -4.576 16.300 1.00 23.45 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 1.974 -3.488 17.161 1.00 23.55 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 2.873 -2.803 16.727 1.00 24.17 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 0.030 -4.070 15.667 1.00 22.63 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 0.278 -2.841 14.763 1.00 21.09 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? -0.927 -2.425 13.995 1.00 18.91 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? -0.803 -1.000 13.504 1.00 20.21 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? -2.016 -0.619 12.676 1.00 22.55 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 1.513 -3.350 18.392 1.00 24.19 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 2.024 -2.331 19.285 1.00 24.52 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 3.506 -2.545 19.588 1.00 24.68 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 4.264 -1.576 19.584 1.00 25.56 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 1.174 -2.261 20.570 1.00 24.43 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 1.619 -0.937 21.733 1.00 24.09 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 3.918 -3.788 19.848 0.50 24.43 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 5.319 -4.090 20.158 0.50 24.75 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 6.269 -3.639 19.058 0.50 25.29 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 7.355 -3.133 19.325 0.50 24.72 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 5.499 -5.581 20.411 0.50 24.45 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 5.042 -6.019 21.776 0.50 24.81 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 5.034 -7.520 21.929 0.50 25.78 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 5.236 -8.257 20.962 0.50 28.00 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 4.788 -7.987 23.144 0.50 25.24 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 5.836 -3.838 17.819 1.00 26.67 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 6.566 -3.428 16.631 1.00 28.56 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 6.731 -1.929 16.529 1.00 28.75 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 7.830 -1.443 16.244 1.00 28.90 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 5.843 -3.906 15.383 1.00 29.10 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 6.052 -5.362 15.064 1.00 33.96 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 5.282 -5.788 13.822 1.00 40.48 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 5.203 -5.042 12.832 1.00 45.13 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 4.709 -6.990 13.863 1.00 41.66 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 5.611 -1.219 16.700 1.00 29.04 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 5.568 0.237 16.803 1.00 29.12 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 6.434 0.711 17.956 1.00 29.84 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 7.145 1.694 17.822 1.00 29.78 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 4.116 0.692 17.030 1.00 28.57 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 3.907 2.166 17.223 1.00 27.52 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 4.748 3.188 16.853 1.00 27.78 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 2.752 2.790 17.793 1.00 27.60 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 4.199 4.407 17.182 1.00 26.93 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 2.971 4.196 17.753 1.00 27.76 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 1.552 2.301 18.339 1.00 26.82 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 2.035 5.119 18.250 1.00 27.72 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 0.621 3.217 18.827 1.00 27.94 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 0.871 4.618 18.777 1.00 28.08 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 6.345 0.024 19.092 1.00 30.46 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 7.180 0.325 20.247 1.00 31.98 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 8.668 0.241 19.891 1.00 33.29 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 9.429 1.168 20.166 1.00 33.66 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 6.843 -0.608 21.411 1.00 31.48 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 7.624 -0.299 22.540 1.00 31.43 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 9.055 -0.858 19.249 1.00 34.81 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 10.414 -1.066 18.736 1.00 36.42 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 10.905 0.034 17.783 1.00 36.25 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 11.981 0.597 17.993 1.00 36.72 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 10.445 -2.394 18.009 1.00 37.17 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 11.761 -3.096 18.061 1.00 41.91 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 11.611 -4.545 17.648 1.00 47.99 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 10.629 -5.215 18.019 1.00 49.67 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 12.577 -5.044 16.865 1.00 49.46 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 10.115 0.325 16.747 1.00 35.66 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 10.398 1.401 15.792 1.00 35.67 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 10.369 2.830 16.361 1.00 35.40 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 10.976 3.729 15.783 1.00 35.44 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 9.466 1.312 14.574 1.00 35.65 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 9.570 0.006 13.797 1.00 37.49 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 10.990 -0.280 13.317 1.00 38.81 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 11.467 0.335 12.371 1.00 39.56 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 11.668 -1.210 13.980 1.00 39.12 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 9.667 3.040 17.473 1.00 35.40 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 9.588 4.362 18.110 1.00 35.52 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 10.781 4.647 19.048 1.00 36.00 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 10.933 5.758 19.565 1.00 35.66 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 8.263 4.518 18.866 1.00 35.09 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 8.255 3.752 20.063 1.00 34.55 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 11.617 3.631 19.268 1.00 36.81 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 12.747 3.733 20.186 1.00 37.14 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 12.253 3.833 21.613 1.00 37.62 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 12.860 4.512 22.455 1.00 37.42 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 11.131 3.155 21.864 1.00 38.11 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 10.470 3.099 23.175 1.00 38.42 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 9.881 4.440 23.582 1.00 37.57 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 9.588 4.648 24.751 1.00 38.01 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 11.406 2.557 24.273 1.00 38.90 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 12.187 1.315 23.883 1.00 41.88 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 11.487 0.054 24.294 1.00 46.63 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 11.458 -0.288 25.478 1.00 49.37 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 10.919 -0.661 23.324 1.00 48.20 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 9.699 5.346 22.623 1.00 36.97 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 8.898 6.555 22.853 1.00 36.60 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 7.423 6.199 23.087 1.00 35.11 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 6.674 6.940 23.728 1.00 35.50 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 9.036 7.528 21.676 1.00 37.64 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 10.335 8.352 21.720 1.00 42.23 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 11.092 8.316 22.700 1.00 41.76 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 10.581 9.110 20.642 1.00 49.57 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 7.014 5.060 22.539 1.00 33.08 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 5.735 4.458 22.843 1.00 31.01 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 6.004 3.065 23.381 1.00 29.94 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 6.850 2.346 22.849 1.00 29.03 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 4.816 4.389 21.583 1.00 31.10 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 3.565 3.542 21.857 1.00 30.71 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 4.442 5.794 21.110 1.00 29.54 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 5.318 2.707 24.464 1.00 28.76 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 5.318 1.321 24.925 1.00 28.08 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 3.894 0.796 25.010 1.00 27.24 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 2.943 1.519 24.714 1.00 27.33 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 6.075 1.100 26.266 1.00 27.94 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 5.606 2.025 27.234 1.00 29.20 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 7.575 1.270 26.096 1.00 28.22 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 3.762 -0.459 25.419 1.00 26.64 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 2.506 -1.205 25.292 1.00 26.22 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 2.037 -1.860 26.570 1.00 25.64 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 2.796 -2.537 27.253 1.00 25.82 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 2.647 -2.304 24.228 1.00 25.52 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 3.245 -1.687 22.715 1.00 25.76 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 0.765 -1.645 26.863 1.00 25.37 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 0.024 -2.408 27.848 1.00 24.78 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? -1.010 -3.197 27.040 1.00 24.58 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? -1.444 -2.735 25.985 1.00 25.38 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? -0.653 -1.464 28.855 1.00 24.50 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? -1.392 -4.375 27.516 1.00 24.30 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? -2.394 -5.204 26.839 1.00 24.23 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? -3.516 -5.597 27.782 1.00 23.51 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? -3.275 -5.909 28.943 1.00 23.67 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? -1.755 -6.484 26.234 1.00 24.36 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? -0.561 -6.121 25.547 1.00 25.76 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? -2.684 -7.134 25.220 1.00 24.56 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? -4.747 -5.572 27.285 1.00 23.18 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? -5.884 -6.093 28.046 1.00 22.50 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? -6.725 -6.970 27.119 1.00 22.46 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? -6.539 -6.950 25.903 1.00 22.83 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? -6.693 -4.962 28.652 1.00 21.50 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? -7.625 -7.763 27.682 1.00 22.48 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? -8.479 -8.633 26.872 1.00 22.67 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? -9.655 -7.907 26.259 1.00 22.02 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? -10.220 -8.378 25.276 1.00 22.33 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? -8.997 -9.812 27.696 1.00 22.88 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? -7.983 -10.801 27.764 1.00 28.60 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? -10.054 -6.789 26.860 1.00 21.24 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? -11.211 -6.046 26.393 1.00 20.51 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? -10.894 -4.565 26.435 1.00 20.23 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? -9.938 -4.145 27.094 1.00 20.55 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? -12.489 -6.339 27.233 1.00 21.03 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? -12.395 -5.681 28.496 1.00 21.68 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? -12.679 -7.824 27.455 1.00 20.25 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? -11.699 -3.790 25.723 1.00 19.44 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? -11.537 -2.361 25.610 1.00 19.37 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? -11.835 -1.700 26.948 1.00 19.74 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? -11.108 -0.796 27.362 1.00 19.32 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? -12.455 -1.812 24.505 1.00 19.09 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? -12.128 -2.467 23.279 1.00 18.56 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? -12.280 -0.333 24.310 1.00 18.69 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? -12.897 -2.162 27.614 1.00 20.17 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? -13.209 -1.778 28.992 1.00 20.86 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? -12.047 -1.938 29.971 1.00 20.84 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? -11.800 -1.048 30.783 1.00 20.86 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? -14.418 -2.557 29.502 1.00 21.78 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? -15.724 -2.116 28.844 1.00 24.58 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? -15.734 -1.208 27.982 1.00 28.12 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? -16.760 -2.694 29.191 1.00 29.65 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? -11.333 -3.060 29.883 1.00 20.66 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? -10.118 -3.259 30.664 1.00 21.05 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? -9.016 -2.267 30.323 1.00 20.53 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? -8.301 -1.812 31.208 1.00 20.54 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? -9.593 -4.681 30.497 1.00 21.49 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? -10.312 -5.672 31.380 1.00 23.84 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? -11.233 -5.282 32.138 1.00 24.59 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? -9.947 -6.864 31.314 1.00 28.83 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? -8.867 -1.948 29.044 1.00 20.02 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? -7.956 -0.899 28.644 1.00 20.16 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? -8.354 0.456 29.220 1.00 20.20 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? -7.484 1.220 29.611 1.00 21.31 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? -7.849 -0.805 27.125 1.00 20.19 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? -6.506 -1.750 26.483 1.00 19.46 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? -9.650 0.740 29.273 1.00 19.68 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? -10.162 1.972 29.872 1.00 20.19 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? -9.804 2.040 31.346 1.00 19.81 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? -9.358 3.067 31.818 1.00 20.73 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? -11.718 2.153 29.634 1.00 20.52 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? -12.005 2.474 28.156 1.00 20.16 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? -12.299 3.258 30.524 1.00 21.09 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? -13.494 2.373 27.759 1.00 19.62 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? -9.995 0.933 32.060 1.00 19.82 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? -9.580 0.797 33.451 1.00 19.48 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? -8.070 1.017 33.628 1.00 19.89 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? -7.672 1.754 34.536 1.00 19.54 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? -10.058 -0.559 34.064 1.00 19.82 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? -9.417 -0.820 35.386 1.00 18.14 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? -11.581 -0.557 34.219 1.00 18.12 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? -7.232 0.433 32.758 1.00 19.47 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? -5.795 0.684 32.862 1.00 19.54 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? -5.458 2.170 32.745 1.00 19.68 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? -4.551 2.640 33.429 1.00 18.95 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? -4.964 -0.137 31.860 1.00 19.98 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? -4.984 -1.664 32.002 1.00 21.22 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? -4.214 -2.345 30.855 1.00 19.78 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? -4.498 -2.149 33.386 1.00 22.20 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? -6.184 2.899 31.880 1.00 19.66 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? -5.936 4.325 31.677 1.00 19.49 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? -6.361 5.144 32.917 1.00 20.74 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? -5.651 6.046 33.356 1.00 20.78 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? -6.611 4.876 30.372 1.00 19.93 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? -6.453 6.399 30.269 1.00 18.30 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? -6.064 4.178 29.098 1.00 16.85 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? -7.523 4.822 33.474 1.00 21.53 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? -7.999 5.451 34.699 1.00 22.32 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? -7.016 5.293 35.853 1.00 22.41 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? -6.801 6.222 36.630 1.00 23.14 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? -9.346 4.848 35.103 1.00 22.30 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? -10.521 5.315 34.264 1.00 23.91 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? -11.773 4.503 34.587 1.00 22.77 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? -10.733 6.803 34.529 1.00 25.12 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? -6.444 4.098 35.969 1.00 22.00 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? -5.460 3.801 37.000 1.00 21.14 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? -4.130 4.531 36.740 1.00 21.11 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? -3.318 4.705 37.652 1.00 21.16 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? -5.239 2.290 37.084 1.00 19.94 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? -6.372 1.560 37.750 1.00 19.84 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? -5.937 0.166 38.172 1.00 20.41 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? -5.953 -0.809 36.993 1.00 21.63 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? -5.358 -2.167 37.307 1.00 21.44 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? -3.907 4.926 35.487 1.00 20.83 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? -2.682 5.600 35.088 1.00 20.21 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? -1.595 4.633 34.683 1.00 20.62 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? -0.427 5.018 34.586 1.00 20.59 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? -1.970 3.379 34.440 1.00 20.61 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? -1.022 2.351 33.983 1.00 21.34 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? -0.867 2.292 32.443 1.00 21.13 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 0.071 1.692 31.935 1.00 22.25 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? -1.408 0.973 34.541 1.00 21.41 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? -1.479 0.890 36.066 1.00 20.74 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? -2.004 -0.451 36.536 1.00 22.92 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? -2.407 -0.576 37.697 1.00 25.37 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? -2.035 -1.409 35.746 1.00 28.39 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? -1.802 2.895 31.709 1.00 20.14 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? -1.654 3.132 30.268 1.00 18.83 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? -2.072 4.584 30.073 1.00 18.61 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? -2.781 5.138 30.915 1.00 16.80 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? -2.564 2.186 29.436 1.00 18.31 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? -1.642 5.200 28.971 1.00 19.05 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? -2.066 6.576 28.661 1.00 19.25 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? -3.212 6.713 27.679 1.00 19.15 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? -4.030 7.605 27.828 1.00 19.50 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? -0.898 7.403 28.160 1.00 19.75 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 0.209 7.477 29.158 1.00 21.15 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? -0.068 7.884 30.312 1.00 24.48 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 1.341 7.111 28.792 1.00 21.74 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? -3.260 5.858 26.657 1.00 18.52 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? -4.110 6.136 25.501 1.00 17.13 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? -4.444 4.881 24.737 1.00 16.54 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? -3.738 3.890 24.826 1.00 16.46 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? -3.438 7.153 24.582 1.00 16.77 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? -5.571 4.937 24.045 1.00 16.39 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? -5.985 3.977 23.025 1.00 16.74 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? -7.006 4.708 22.148 1.00 16.80 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? -7.589 5.740 22.554 1.00 16.67 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? -6.596 2.685 23.628 1.00 16.68 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? -7.984 2.665 24.310 1.00 17.17 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? -8.515 1.218 24.420 1.00 16.88 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? -8.033 3.352 25.685 1.00 14.94 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? -7.195 4.179 20.948 1.00 16.55 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? -8.118 4.710 19.986 1.00 17.23 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? -9.424 3.960 20.182 1.00 17.67 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? -9.420 2.741 20.273 1.00 18.44 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? -7.521 4.488 18.596 1.00 17.71 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? -8.378 5.027 17.488 1.00 17.46 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? -8.854 6.141 17.544 1.00 19.80 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? -8.558 4.235 16.457 1.00 18.70 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? -10.533 4.681 20.286 1.00 18.07 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? -11.820 4.079 20.633 1.00 18.40 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? -12.923 4.411 19.656 1.00 18.48 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? -12.988 5.517 19.124 1.00 18.86 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? -12.292 4.547 22.026 1.00 18.93 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? -11.591 4.096 23.308 1.00 19.50 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? -12.306 4.682 24.486 1.00 21.26 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? -11.566 2.601 23.435 1.00 19.59 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? -13.822 3.452 19.472 1.00 18.52 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? -15.097 3.695 18.841 1.00 18.07 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? -15.935 4.623 19.738 1.00 18.41 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? -15.781 4.632 20.970 1.00 18.56 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? -15.807 2.369 18.596 1.00 17.43 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? -17.240 2.549 18.127 1.00 17.11 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? -17.460 2.792 16.926 1.00 15.17 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? -18.153 2.444 18.961 1.00 16.85 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? -16.825 5.392 19.116 1.00 18.76 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? -17.674 6.349 19.824 1.00 18.45 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? -18.504 5.777 20.952 1.00 18.70 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? -18.725 6.454 21.935 1.00 19.60 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? -18.993 4.548 20.811 1.00 18.82 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? -19.698 3.884 21.897 1.00 19.23 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? -18.855 3.776 23.170 1.00 20.15 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? -19.362 3.955 24.288 1.00 20.27 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? -17.568 3.485 23.005 1.00 20.75 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? -16.647 3.393 24.130 1.00 21.78 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? -16.147 4.766 24.592 1.00 22.26 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? -15.719 4.904 25.740 1.00 22.28 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? -15.435 2.572 23.757 1.00 21.82 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? -15.647 1.123 23.375 1.00 23.41 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? -16.361 0.236 24.199 1.00 24.29 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? -15.053 0.616 22.212 1.00 23.49 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? -16.492 -1.126 23.848 1.00 25.05 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? -15.176 -0.713 21.853 1.00 24.60 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? -15.890 -1.586 22.669 1.00 24.84 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? -15.982 -2.912 22.279 1.00 24.55 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? -16.156 5.759 23.691 1.00 22.31 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? -15.772 7.126 24.052 1.00 22.02 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? -16.780 7.639 25.059 1.00 23.27 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? -16.449 8.466 25.904 1.00 23.61 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? -15.726 8.086 22.827 1.00 22.59 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? -14.550 7.744 21.908 1.00 19.68 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? -15.683 9.595 23.264 1.00 20.89 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? -14.538 8.554 20.625 1.00 19.73 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? -18.006 7.126 24.961 1.00 24.11 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? -19.082 7.455 25.887 1.00 24.92 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? -18.861 6.848 27.274 1.00 25.32 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? -19.037 7.534 28.281 1.00 25.53 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? -20.418 7.016 25.296 1.00 25.61 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? -21.606 7.235 26.195 1.00 25.73 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? -22.316 8.429 26.162 1.00 25.77 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? -22.022 6.242 27.071 1.00 26.82 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? -23.414 8.647 27.000 1.00 26.54 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? -23.116 6.438 27.912 1.00 29.19 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? -23.817 7.644 27.856 1.00 28.18 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? -24.905 7.834 28.680 1.00 29.25 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? -18.498 5.561 27.308 1.00 25.61 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? -18.055 4.867 28.520 1.00 25.73 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? -16.896 5.612 29.189 1.00 25.30 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? -16.972 5.961 30.367 1.00 25.31 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? -17.557 3.448 28.194 1.00 25.88 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? -18.607 2.705 27.567 1.00 28.75 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? -17.096 2.703 29.473 1.00 26.73 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? -15.838 5.848 28.413 1.00 24.24 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? -14.647 6.497 28.888 1.00 23.71 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? -14.914 7.897 29.410 1.00 24.08 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? -14.256 8.338 30.358 1.00 23.90 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? -13.612 6.547 27.787 1.00 23.04 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? -15.866 8.587 28.783 1.00 24.05 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? -16.086 9.994 29.026 1.00 24.42 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? -16.770 10.201 30.353 1.00 25.08 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? -16.507 11.183 31.030 1.00 24.13 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? -17.640 9.263 30.717 1.00 25.80 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? -18.317 9.285 32.016 1.00 27.70 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? -17.338 9.031 33.153 1.00 27.91 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? -17.594 9.404 34.295 1.00 28.60 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? -19.460 8.258 32.073 1.00 27.90 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? -20.536 8.509 31.048 1.00 29.93 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? -21.892 8.241 31.609 1.00 34.41 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? -22.895 9.273 31.081 1.00 37.41 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? -24.088 9.392 31.995 1.00 40.00 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? -16.225 8.386 32.817 1.00 28.29 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? -15.131 8.114 33.742 1.00 28.21 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? -14.080 9.207 33.685 1.00 26.64 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? -13.052 9.108 34.318 1.00 26.21 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? -14.518 6.755 33.417 1.00 29.55 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? -15.666 5.385 33.680 1.00 35.02 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? -14.345 10.254 32.914 1.00 25.66 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? -13.490 11.434 32.894 1.00 24.62 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? -12.365 11.427 31.873 1.00 23.87 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? -11.489 12.282 31.937 1.00 24.36 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? -12.363 10.468 30.952 1.00 22.31 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? -11.374 10.452 29.869 1.00 21.92 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? -11.789 11.404 28.756 1.00 21.80 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? -12.977 11.679 28.563 1.00 21.58 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? -11.199 9.036 29.280 1.00 21.51 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? -10.708 7.891 30.164 1.00 20.70 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? -10.070 6.885 29.263 1.00 20.31 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? -9.701 8.358 31.216 1.00 18.43 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? -10.815 11.888 28.002 1.00 21.59 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? -11.104 12.922 27.010 1.00 21.83 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? -10.617 12.556 25.608 1.00 21.92 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? -9.587 11.908 25.459 1.00 21.39 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? -10.559 14.337 27.436 1.00 21.54 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? -11.193 14.777 28.753 1.00 23.14 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? -9.040 14.347 27.545 1.00 20.58 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? -11.373 12.982 24.582 1.00 22.23 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? -10.916 12.899 23.202 1.00 22.43 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? -9.723 13.813 22.963 1.00 22.98 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? -9.752 14.981 23.340 1.00 23.54 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? -12.124 13.364 22.396 1.00 22.92 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? -13.008 14.117 23.362 1.00 22.95 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? -12.727 13.560 24.710 1.00 22.22 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? -8.686 13.278 22.321 1.00 23.22 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? -7.422 13.976 22.122 1.00 23.47 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? -7.175 14.295 20.637 1.00 24.23 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? -6.813 15.408 20.292 1.00 24.96 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? -6.273 13.140 22.733 1.00 23.16 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? -4.946 13.678 22.353 1.00 23.11 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? -6.406 13.139 24.245 1.00 24.32 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? -7.394 13.303 19.776 1.00 24.23 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? -7.164 13.371 18.341 1.00 24.29 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? -8.143 12.385 17.709 1.00 24.63 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? -8.461 11.347 18.307 1.00 24.37 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? -5.721 12.948 17.983 1.00 24.43 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? -4.510 13.837 18.315 1.00 23.78 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? -3.235 13.028 18.197 1.00 23.58 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? -4.431 15.083 17.435 1.00 22.26 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? -8.648 12.714 16.524 1.00 24.87 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? -9.585 11.822 15.856 1.00 25.94 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? -9.001 11.179 14.600 1.00 27.08 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? -8.164 11.772 13.933 1.00 27.11 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? -10.870 12.537 15.547 1.00 25.36 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? -9.434 9.959 14.290 1.00 28.44 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? -9.151 9.375 12.990 1.00 30.09 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? -9.772 10.253 11.898 1.00 31.95 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? -10.921 10.676 12.003 1.00 31.76 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? -9.742 7.973 12.895 1.00 29.55 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? -8.903 6.864 13.484 1.00 27.35 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? -9.595 5.525 13.357 1.00 24.25 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? -10.696 5.478 12.785 1.00 21.54 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? -9.047 4.515 13.828 1.00 23.85 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? -8.995 10.529 10.864 1.00 34.81 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? -9.472 11.267 9.708 1.00 38.04 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? -9.204 10.435 8.468 1.00 40.35 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? -8.084 10.006 8.255 1.00 40.49 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? -8.754 12.605 9.614 1.00 37.69 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? -9.679 13.754 9.258 1.00 37.68 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? -10.895 13.603 9.174 1.00 38.05 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? -9.094 14.926 9.061 1.00 38.64 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? -10.234 10.161 7.676 1.00 44.21 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? -10.047 9.364 6.456 1.00 48.19 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? -10.057 10.243 5.194 1.00 50.75 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? -10.232 11.468 5.283 1.00 50.93 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? -11.107 8.260 6.364 1.00 48.13 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? -12.449 8.773 5.907 1.00 49.95 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? -13.562 7.776 6.074 1.00 53.63 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? -14.868 8.423 5.899 1.00 55.84 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? -15.523 9.094 6.850 1.00 56.65 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? -16.698 9.634 6.567 1.00 56.91 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? -15.020 9.227 8.078 1.00 56.40 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? -9.860 9.603 4.036 1.00 54.42 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? -9.960 10.237 2.697 1.00 57.94 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? -11.173 11.169 2.470 1.00 60.00 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? -12.322 10.803 2.749 1.00 60.28 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? -9.917 9.157 1.605 1.00 58.03 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? -8.579 9.067 0.872 1.00 59.76 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? -7.938 7.677 0.978 1.00 62.08 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? -7.171 7.493 2.301 1.00 62.47 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? -6.164 8.572 2.529 1.00 62.30 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? -10.899 12.369 1.959 1.00 62.70 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? -11.940 13.367 1.686 1.00 65.16 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? -11.862 13.970 0.281 1.00 66.75 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? -10.773 14.115 -0.296 1.00 67.24 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? -11.880 14.490 2.718 1.00 65.12 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? -12.336 14.037 3.978 1.00 66.35 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? -13.030 14.322 -0.254 1.00 68.53 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? -13.138 15.053 -1.521 1.00 70.06 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? -13.356 16.555 -1.259 1.00 71.23 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? -12.766 17.407 -1.941 1.00 71.54 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? -14.257 14.465 -2.398 1.00 69.98 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? -15.425 14.182 -1.638 1.00 69.66 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? -14.203 16.864 -0.272 1.00 72.34 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? -14.353 18.226 0.256 1.00 73.37 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? -13.188 18.524 1.208 1.00 73.81 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? -12.488 17.594 1.645 1.00 74.16 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? -15.694 18.374 0.987 1.00 73.30 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? -16.132 19.820 1.208 1.00 73.72 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? -17.501 19.913 1.893 1.00 74.01 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? -18.066 21.341 1.841 1.00 74.74 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? -17.277 22.314 2.670 1.00 75.12 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? -12.973 19.810 1.515 1.00 74.10 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? -11.916 20.257 2.451 1.00 74.27 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? -10.489 19.883 2.013 1.00 73.74 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? -9.518 20.173 2.732 1.00 73.80 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? -12.169 19.718 3.870 1.00 74.58 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? -13.338 20.345 4.561 1.00 76.13 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? -14.577 19.740 4.626 1.00 77.26 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? -13.456 21.521 5.225 1.00 77.63 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? -15.409 20.519 5.296 1.00 78.23 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? -14.755 21.606 5.671 1.00 78.61 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? -10.379 19.254 0.838 1.00 72.89 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? -9.122 18.688 0.313 1.00 71.98 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? -7.933 19.658 0.283 1.00 70.95 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? -6.778 19.221 0.322 1.00 71.18 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? -9.346 18.113 -1.089 1.00 72.16 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? -9.739 19.139 -1.988 1.00 72.56 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? -8.221 20.959 0.197 1.00 69.41 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? -7.194 22.009 0.258 1.00 67.72 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? -6.428 21.928 1.595 1.00 66.39 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? -5.190 22.020 1.625 1.00 66.17 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? -7.846 23.395 0.077 1.00 68.01 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? -6.923 24.395 -0.344 1.00 67.41 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? -7.184 21.721 2.681 1.00 64.40 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? -6.658 21.706 4.054 1.00 62.12 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? -5.804 20.490 4.384 1.00 60.03 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? -6.060 19.384 3.894 1.00 59.58 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? -7.806 21.802 5.066 1.00 62.53 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? -8.452 23.167 5.306 1.00 63.04 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? -9.683 22.992 6.187 1.00 63.87 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? -7.461 24.142 5.945 1.00 63.56 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? -4.793 20.711 5.224 0.50 57.44 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? -3.979 19.630 5.749 0.50 54.97 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? -4.839 18.725 6.613 0.50 53.22 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? -5.668 19.192 7.395 0.50 52.71 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? -2.804 20.163 6.562 0.50 55.15 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? -1.804 19.080 6.909 0.50 55.30 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? -1.091 18.614 5.994 0.50 55.59 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? -1.729 18.693 8.094 0.50 55.23 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? -4.634 17.426 6.443 1.00 50.87 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? -5.384 16.385 7.151 1.00 49.98 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? -5.509 16.587 8.680 1.00 49.71 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? -6.590 16.408 9.245 1.00 49.75 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? -4.771 15.014 6.833 1.00 49.12 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? -5.668 13.596 7.523 1.00 47.77 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? -4.411 16.962 9.334 1.00 49.49 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? -4.387 17.154 10.789 1.00 49.70 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? -5.309 18.299 11.257 1.00 49.84 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? -5.773 18.305 12.398 1.00 49.27 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? -2.927 17.343 11.326 1.00 49.84 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? -2.910 17.529 12.836 1.00 49.73 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? -2.055 16.149 10.951 1.00 49.33 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? -5.581 19.246 10.359 1.00 50.29 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? -6.398 20.429 10.671 1.00 50.54 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? -7.806 20.341 10.070 1.00 50.47 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? -8.702 21.111 10.447 1.00 50.84 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? -5.696 21.710 10.183 1.00 50.80 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? -4.279 22.012 10.706 1.00 51.60 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? -3.522 22.971 9.784 1.00 50.34 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? -4.327 22.550 12.143 1.00 51.77 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? -7.986 19.408 9.135 1.00 49.98 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? -9.265 19.173 8.479 1.00 49.59 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? -10.286 18.599 9.464 1.00 49.15 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? -9.966 17.685 10.220 1.00 48.76 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? -9.066 18.193 7.325 1.00 49.89 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? -10.280 18.032 6.405 1.00 50.89 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? -10.215 16.727 5.611 1.00 51.85 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? -8.902 16.525 5.003 1.00 51.17 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? -8.314 15.343 4.871 1.00 51.49 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? -8.914 14.238 5.311 1.00 51.19 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? -7.118 15.268 4.300 1.00 52.05 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? -11.524 19.139 9.458 1.00 49.02 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? -12.568 18.567 10.336 1.00 48.51 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? -12.855 17.120 9.945 1.00 48.10 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? -12.729 16.755 8.764 1.00 48.07 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? -13.816 19.424 10.060 1.00 48.54 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? -13.348 20.597 9.217 1.00 49.02 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? -12.006 20.272 8.636 1.00 48.73 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? -13.228 16.307 10.932 1.00 47.21 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? -13.637 14.932 10.678 1.00 46.10 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? -15.090 14.889 10.137 1.00 45.70 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? -15.946 15.694 10.531 1.00 45.40 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? -13.460 14.054 11.937 1.00 46.11 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? -14.322 14.520 12.976 1.00 45.90 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? -12.023 14.096 12.426 1.00 44.92 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? -15.359 13.962 9.220 1.00 44.73 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? -16.666 13.918 8.562 1.00 43.93 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? -17.689 12.984 9.222 1.00 41.84 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? -18.880 13.259 9.178 1.00 42.52 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? -16.518 13.629 7.061 1.00 44.02 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? -15.703 14.720 6.329 1.00 45.87 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? -15.778 14.635 4.806 1.00 46.19 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? -16.885 14.374 4.269 1.00 47.93 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? -14.726 14.842 4.148 1.00 48.67 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? -17.236 11.904 9.847 1.00 39.28 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? -18.155 10.937 10.452 1.00 35.71 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? -18.371 9.816 9.459 1.00 33.26 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? -18.302 10.036 8.262 1.00 34.16 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? -18.608 8.604 9.929 1.00 30.02 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? -18.820 7.505 8.997 1.00 26.36 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? -20.287 7.092 9.000 1.00 25.12 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? -21.054 7.496 9.880 1.00 24.02 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? -17.846 6.332 9.253 1.00 25.08 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? -17.852 5.759 10.651 1.00 23.40 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? -18.709 4.707 10.997 1.00 21.44 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? -16.997 6.266 11.631 1.00 22.49 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? -18.716 4.193 12.273 1.00 21.92 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? -16.995 5.756 12.911 1.00 21.29 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? -17.851 4.725 13.235 1.00 22.20 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? -17.826 4.202 14.513 1.00 20.83 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? -20.680 6.309 7.999 1.00 24.03 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? -22.085 5.945 7.846 1.00 23.75 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? -22.326 4.564 8.422 1.00 23.15 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? -21.671 3.614 8.052 1.00 23.63 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? -22.521 6.018 6.371 1.00 23.98 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? -22.328 7.344 5.607 1.00 24.25 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? -22.778 7.231 4.171 1.00 22.14 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? -23.052 8.500 6.290 1.00 24.63 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? -23.245 4.468 9.360 1.00 22.81 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? -23.636 3.195 9.904 1.00 22.96 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? -24.666 2.585 8.944 1.00 22.96 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? -25.676 3.220 8.650 1.00 24.02 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? -24.224 3.393 11.298 1.00 22.71 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? -24.403 1.380 8.437 1.00 22.39 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? -25.306 0.707 7.481 1.00 21.49 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? -25.708 -0.699 7.946 1.00 21.74 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? -25.006 -1.322 8.757 1.00 21.48 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? -24.689 0.602 6.032 1.00 21.93 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? -24.443 2.007 5.409 1.00 20.31 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? -23.425 -0.248 6.010 1.00 19.93 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? -26.847 -1.184 7.449 1.00 21.10 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? -27.235 -2.592 7.596 1.00 20.46 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? -27.073 -3.249 6.231 1.00 20.21 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? -27.632 -2.786 5.254 1.00 18.99 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? -28.658 -2.720 8.108 1.00 20.12 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? -26.254 -4.297 6.170 1.00 20.74 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? -25.886 -4.955 4.913 1.00 21.22 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? -26.468 -6.371 4.870 1.00 22.55 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? -26.423 -7.105 5.870 1.00 22.21 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? -24.351 -5.049 4.770 1.00 21.18 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? -23.915 -5.439 3.340 1.00 19.96 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? -23.698 -3.754 5.219 1.00 21.56 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? -27.007 -6.740 3.703 1.00 23.50 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? -27.526 -8.079 3.440 1.00 24.03 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? -26.999 -8.616 2.113 1.00 25.53 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? -26.418 -7.886 1.299 1.00 25.85 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? -29.096 -8.123 3.417 1.00 24.19 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? -29.679 -7.855 4.805 1.00 22.17 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? -29.674 -7.171 2.361 1.00 22.22 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? -27.207 -9.907 1.895 1.00 26.97 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? -26.856 -10.519 0.632 1.00 27.84 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? -27.991 -10.239 -0.346 1.00 27.99 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? -29.158 -10.330 0.019 1.00 27.33 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? -26.699 -12.025 0.831 1.00 28.15 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? -25.359 -12.577 0.369 1.00 29.21 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? -24.282 -12.334 1.399 1.00 29.24 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? -22.981 -12.980 0.985 1.00 31.52 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? -22.989 -14.487 1.083 1.00 30.72 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? -27.650 -9.873 -1.573 1.00 29.13 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? -28.653 -9.678 -2.636 1.00 30.84 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? -29.571 -10.906 -2.800 1.00 31.05 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? -30.801 -10.769 -2.879 1.00 31.01 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? -27.948 -9.376 -3.954 1.00 30.96 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? -28.865 -8.993 -5.097 1.00 34.08 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? -28.216 -9.395 -6.412 1.00 39.64 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? -28.917 -8.790 -7.616 1.00 43.71 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? -27.878 -8.432 -8.653 1.00 47.66 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? -28.962 -12.097 -2.804 1.00 31.41 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? -29.665 -13.369 -3.000 1.00 31.76 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? -30.723 -13.603 -1.956 1.00 32.37 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -31.619 -14.427 -2.140 1.00 32.71 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? -28.690 -14.503 -2.994 1.00 32.27 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? -30.620 -12.870 -0.858 1.00 32.84 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -31.569 -12.959 0.228 1.00 33.72 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -32.706 -11.976 -0.032 1.00 34.13 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -32.863 -10.976 0.674 1.00 33.99 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? -30.855 -12.625 1.524 1.00 34.23 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -31.380 -13.392 2.703 1.00 35.73 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -32.585 -13.646 2.827 1.00 36.22 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? -30.468 -13.749 3.608 1.00 36.89 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -33.501 -12.281 -1.056 1.00 34.48 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -34.534 -11.378 -1.551 1.00 35.01 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -35.620 -11.175 -0.533 1.00 34.94 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -35.906 -12.075 0.249 1.00 35.48 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -35.144 -11.952 -2.812 1.00 35.30 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -34.133 -12.188 -3.874 1.00 36.69 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -34.689 -12.954 -5.013 1.00 39.03 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -33.888 -13.554 -5.750 1.00 42.29 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -35.920 -12.971 -5.189 1.00 40.92 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -36.216 -9.993 -0.523 1.00 34.65 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -37.325 -9.738 0.398 1.00 35.13 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -36.992 -9.663 1.888 1.00 35.01 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -37.894 -9.660 2.736 1.00 35.55 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -35.702 -9.602 2.214 1.00 34.28 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -35.280 -9.210 3.544 1.00 33.08 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -35.141 -7.685 3.553 1.00 32.43 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -34.377 -7.121 2.768 1.00 32.11 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -33.971 -9.898 3.917 1.00 33.17 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -33.457 -9.693 5.343 1.00 33.50 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -34.548 -10.006 6.362 1.00 34.74 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -32.244 -10.569 5.578 1.00 34.17 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -35.918 -7.027 4.409 1.00 31.68 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -35.896 -5.570 4.521 1.00 31.35 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -35.705 -5.205 5.981 1.00 31.58 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -35.693 -6.085 6.832 1.00 31.11 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -37.218 -4.897 4.030 1.00 30.75 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -38.314 -5.255 4.891 1.00 30.71 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -37.535 -5.264 2.607 1.00 30.57 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -35.596 -3.908 6.269 1.00 32.12 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -35.550 -3.445 7.641 1.00 32.92 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -36.732 -3.959 8.443 1.00 33.43 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -36.587 -4.311 9.612 1.00 33.83 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -35.507 -1.922 7.717 1.00 33.31 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -35.383 -1.473 9.141 1.00 34.21 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -36.385 -1.006 9.963 1.00 34.25 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -34.194 -1.513 9.941 1.00 34.88 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -35.882 -0.735 11.225 1.00 34.39 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -34.541 -1.035 11.238 1.00 35.62 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -32.864 -1.883 9.686 1.00 33.52 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -33.595 -0.916 12.271 1.00 34.55 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -31.931 -1.778 10.721 1.00 34.11 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -32.305 -1.297 11.995 1.00 33.52 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -37.898 -4.010 7.800 1.00 34.13 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -39.150 -4.445 8.424 1.00 34.35 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -39.339 -5.959 8.584 1.00 34.01 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -40.377 -6.395 9.074 1.00 34.23 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -40.342 -3.884 7.639 1.00 34.87 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -40.272 -2.378 7.470 1.00 36.23 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -40.122 -1.628 8.439 1.00 38.03 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -40.381 -1.928 6.234 1.00 38.95 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -38.375 -6.766 8.160 1.00 33.42 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -38.514 -8.218 8.334 1.00 33.09 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -37.276 -8.838 9.008 1.00 32.88 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -36.960 -10.012 8.805 1.00 32.79 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -38.858 -8.905 7.005 1.00 32.71 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -37.788 -8.802 6.073 1.00 33.08 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -36.587 -8.038 9.825 1.00 32.83 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -35.366 -8.488 10.500 1.00 32.24 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -35.649 -9.389 11.703 1.00 32.35 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -34.785 -10.186 12.106 1.00 32.23 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -34.500 -7.303 10.916 1.00 32.00 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -33.658 -6.596 9.854 1.00 31.77 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -32.830 -5.492 10.498 1.00 30.86 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -32.765 -7.546 9.084 1.00 30.95 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -36.853 -9.268 12.266 1.00 32.43 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -37.245 -10.068 13.426 1.00 32.74 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -37.059 -11.553 13.138 1.00 32.39 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -37.514 -12.048 12.105 1.00 32.03 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -38.692 -9.785 13.834 1.00 33.71 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -38.887 -9.832 15.343 1.00 36.03 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -40.145 -10.575 15.774 1.00 39.69 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -40.117 -10.904 17.297 1.00 40.40 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -38.922 -11.724 17.759 1.00 42.38 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -36.364 -12.241 14.046 1.00 31.86 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -36.060 -13.677 13.936 1.00 31.60 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -34.989 -14.044 12.915 1.00 30.64 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -34.776 -15.222 12.613 1.00 30.45 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -37.326 -14.507 13.698 1.00 32.21 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -38.219 -14.561 14.914 1.00 34.63 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -39.401 -14.902 14.739 1.00 39.54 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -37.757 -14.257 16.038 1.00 37.50 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -34.307 -13.041 12.384 1.00 29.66 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -33.197 -13.322 11.503 1.00 28.46 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -31.904 -13.481 12.318 1.00 27.43 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -31.903 -13.316 13.542 1.00 26.82 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -33.095 -12.260 10.407 1.00 29.14 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -34.320 -12.191 9.462 1.00 30.28 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -34.716 -13.576 8.910 1.00 31.46 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -36.028 -13.538 8.126 1.00 32.18 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -37.171 -12.951 8.894 1.00 34.42 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? -30.828 -13.844 11.630 1.00 26.13 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? -29.521 -14.028 12.247 1.00 25.45 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? -28.699 -12.763 12.008 1.00 23.90 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? -28.667 -12.267 10.891 1.00 23.23 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? -28.840 -15.289 11.692 1.00 25.11 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? -29.665 -16.558 11.942 1.00 25.56 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? -28.934 -17.861 11.595 1.00 27.13 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? -29.265 -18.387 10.204 1.00 31.76 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? -28.120 -18.247 9.231 1.00 34.41 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? -28.075 -12.223 13.063 1.00 22.33 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? -27.363 -10.941 12.946 1.00 20.64 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? -25.893 -11.001 13.324 1.00 20.13 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? -25.475 -11.844 14.123 1.00 19.60 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? -28.071 -9.853 13.743 1.00 20.48 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? -28.036 -10.147 15.121 1.00 19.80 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? -25.127 -10.081 12.728 1.00 19.74 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? -23.678 -9.933 12.917 1.00 19.10 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? -23.363 -8.519 13.383 1.00 18.59 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? -23.604 -7.562 12.658 1.00 19.49 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? -22.942 -10.204 11.599 1.00 18.84 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? -23.373 -11.762 10.808 1.00 20.93 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? -22.822 -8.381 14.590 1.00 18.17 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? -22.512 -7.065 15.184 1.00 16.99 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? -21.019 -6.949 15.382 1.00 17.01 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? -20.358 -7.951 15.642 1.00 16.72 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? -23.230 -6.911 16.523 1.00 16.80 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? -24.701 -7.174 16.436 1.00 16.03 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? -25.628 -6.171 16.243 1.00 15.02 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? -25.400 -8.336 16.455 1.00 14.36 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? -26.839 -6.700 16.179 1.00 13.97 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? -26.727 -8.011 16.300 1.00 15.33 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? -20.481 -5.739 15.247 1.00 16.67 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? -19.050 -5.532 15.456 1.00 17.23 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? -18.638 -5.954 16.871 1.00 17.58 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? -17.639 -6.643 17.053 1.00 18.01 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? -18.631 -4.084 15.175 1.00 16.84 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? -19.387 -3.199 16.010 1.00 18.32 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? -18.892 -3.736 13.736 1.00 16.26 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? -19.446 -5.547 17.852 1.00 18.03 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? -19.258 -5.828 19.279 1.00 18.32 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? -20.364 -5.083 19.993 1.00 18.93 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? -20.848 -4.045 19.508 1.00 19.29 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? -17.899 -5.325 19.774 1.00 17.77 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? -20.771 -5.609 21.140 1.00 18.99 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? -21.661 -4.891 22.052 1.00 18.43 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? -21.033 -3.522 22.415 1.00 18.97 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? -19.808 -3.404 22.584 1.00 19.01 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? -21.976 -5.789 23.281 1.00 18.22 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? -22.488 -4.996 24.472 1.00 19.25 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? -22.984 -6.879 22.888 1.00 16.51 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? -21.868 -2.485 22.474 1.00 19.15 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? -21.446 -1.130 22.851 1.00 19.70 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? -20.759 -0.292 21.787 1.00 19.10 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? -20.358 0.834 22.058 1.00 19.57 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? -20.553 -1.147 24.092 1.00 20.27 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? -21.337 -1.256 25.369 1.00 21.97 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? -22.590 -1.266 25.331 1.00 22.23 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? -20.675 -1.344 26.424 1.00 26.09 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? -20.615 -0.825 20.587 1.00 18.73 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? -20.022 -0.065 19.492 1.00 17.75 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? -21.078 0.700 18.673 1.00 17.22 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? -22.248 0.331 18.660 1.00 17.05 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? -19.132 -0.982 18.660 1.00 17.35 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? -17.843 -1.288 19.409 1.00 16.46 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? -16.891 -2.200 18.687 1.00 17.47 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? -16.526 -1.674 17.371 1.00 20.22 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? -15.421 -1.992 16.708 1.00 20.27 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? -14.554 -2.860 17.220 1.00 21.56 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? -15.200 -1.457 15.520 1.00 20.11 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? -20.679 1.778 18.015 1.00 16.87 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? -21.645 2.636 17.313 1.00 16.75 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? -22.441 1.961 16.192 1.00 17.49 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? -23.681 1.839 16.291 1.00 17.63 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? -20.992 3.890 16.798 1.00 16.57 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? -20.330 4.535 17.898 1.00 17.86 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? -22.026 4.823 16.202 1.00 14.85 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? -21.750 1.539 15.130 1.00 17.36 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? -22.423 0.932 13.977 1.00 17.28 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? -22.943 -0.467 14.315 1.00 17.71 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? -24.026 -0.854 13.891 1.00 17.82 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? -21.472 0.903 12.740 1.00 17.14 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? -22.188 -1.220 15.109 1.00 18.02 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? -22.504 -2.621 15.314 1.00 18.47 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? -23.587 -2.859 16.335 1.00 19.07 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? -24.273 -3.889 16.301 1.00 19.46 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? -23.757 -1.905 17.245 1.00 19.34 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? -24.668 -2.102 18.358 1.00 19.20 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? -25.597 -0.916 18.710 1.00 19.38 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? -26.831 -1.042 18.632 1.00 19.95 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? -23.872 -2.566 19.587 1.00 19.42 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? -24.737 -2.976 20.686 1.00 18.00 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? -25.154 -2.201 21.728 1.00 18.70 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? -25.363 -4.258 20.845 1.00 19.27 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? -25.988 -2.933 22.550 1.00 19.51 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? -26.129 -4.201 22.034 1.00 19.23 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? -25.332 -5.464 20.106 1.00 19.17 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? -26.866 -5.302 22.506 1.00 19.76 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? -26.061 -6.556 20.562 1.00 18.80 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? -26.821 -6.471 21.758 1.00 20.01 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? -25.020 0.207 19.122 1.00 18.95 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? -25.802 1.317 19.660 1.00 20.06 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? -26.859 1.861 18.727 1.00 20.48 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? -27.996 2.067 19.150 1.00 21.02 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? -24.895 2.447 20.161 1.00 20.59 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? -24.108 2.045 21.385 1.00 20.28 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? -24.393 1.015 21.998 1.00 18.83 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? -23.099 2.842 21.740 1.00 21.30 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? -26.494 2.055 17.458 1.00 20.91 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? -27.414 2.563 16.442 1.00 20.96 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? -28.492 1.506 16.101 1.00 22.12 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? -29.678 1.741 16.341 1.00 22.22 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? -26.655 3.098 15.173 1.00 20.42 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? -25.797 4.332 15.497 1.00 20.66 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? -27.599 3.421 14.056 1.00 19.99 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? -26.481 5.410 16.358 1.00 19.31 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? -28.091 0.327 15.573 1.00 23.12 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? -29.161 -0.577 15.158 1.00 23.35 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? -30.087 -1.018 16.295 1.00 23.75 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? -31.278 -1.059 16.081 1.00 24.12 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? -28.409 -1.762 14.532 1.00 22.98 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? -27.069 -1.730 15.105 1.00 22.76 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? -26.759 -0.260 15.307 1.00 23.14 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? -29.556 -1.306 17.488 1.00 24.59 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? -30.372 -1.780 18.628 1.00 24.85 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? -31.139 -0.667 19.316 1.00 25.25 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -32.170 -0.925 19.945 1.00 24.80 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? -29.524 -2.526 19.678 1.00 25.02 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? -28.805 -3.740 19.150 1.00 26.15 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? -29.932 -5.068 18.700 1.00 29.32 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? -29.832 -4.912 16.940 1.00 33.69 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? -30.618 0.558 19.224 1.00 25.96 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? -31.356 1.754 19.637 1.00 27.05 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -32.576 1.990 18.756 1.00 27.94 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -33.672 2.282 19.250 1.00 27.75 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -32.391 1.869 17.441 1.00 28.59 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -33.515 1.934 16.525 1.00 29.64 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -34.539 0.847 16.829 1.00 30.65 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -35.740 1.121 16.854 1.00 31.43 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -33.045 1.817 15.081 1.00 29.48 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -32.255 3.022 14.585 1.00 29.11 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -31.489 2.667 13.343 1.00 27.74 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -33.199 4.187 14.338 1.00 29.30 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -34.063 -0.367 17.090 1.00 30.92 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -34.941 -1.514 17.277 1.00 31.93 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -35.700 -1.448 18.596 1.00 33.33 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -36.896 -1.753 18.641 1.00 34.17 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -34.161 -2.856 17.153 1.00 31.99 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -33.872 -3.168 15.680 1.00 31.52 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -34.924 -3.999 17.799 1.00 31.63 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -32.739 -4.184 15.459 1.00 31.26 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -35.028 -1.057 19.673 1.00 34.49 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -35.735 -0.842 20.940 1.00 35.89 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -36.833 0.240 20.756 1.00 37.13 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -37.966 0.050 21.178 1.00 37.28 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -34.761 -0.518 22.122 1.00 35.47 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -35.504 0.085 23.284 1.00 35.68 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -34.003 -1.782 22.567 1.00 35.27 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -36.494 1.348 20.099 1.00 38.53 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -37.464 2.401 19.816 1.00 40.13 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -38.657 1.889 19.042 1.00 41.26 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -39.795 2.122 19.440 1.00 41.67 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -36.823 3.552 19.040 1.00 40.15 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -36.105 4.534 19.937 1.00 40.84 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -35.930 4.292 21.126 1.00 39.26 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -35.686 5.650 19.369 1.00 44.64 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -38.381 1.194 17.936 1.00 42.33 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -39.414 0.684 17.029 1.00 42.91 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -40.334 -0.374 17.628 1.00 43.16 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -41.503 -0.430 17.278 1.00 42.91 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -38.785 0.160 15.745 1.00 42.80 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -38.475 1.266 14.768 1.00 44.04 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -37.508 0.847 13.689 1.00 45.62 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -37.350 -0.350 13.395 1.00 47.40 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -36.847 1.832 13.083 1.00 44.58 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -39.804 -1.206 18.521 1.00 43.76 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -40.586 -2.282 19.139 1.00 43.96 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -41.185 -1.881 20.504 1.00 44.50 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -41.994 -2.622 21.078 1.00 44.45 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -39.744 -3.590 19.297 1.00 43.79 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -38.703 -3.388 20.255 1.00 43.49 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -39.119 -4.016 17.969 1.00 43.68 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -40.786 -0.716 21.020 1.00 45.01 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -41.124 -0.303 22.390 1.00 45.61 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -40.854 -1.395 23.417 1.00 46.23 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -41.669 -1.645 24.301 1.00 46.72 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -39.712 -2.060 23.288 1.00 46.54 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -39.349 -3.166 24.158 1.00 46.69 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -37.838 -3.165 24.372 1.00 46.75 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -37.077 -2.920 23.429 1.00 47.00 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -39.792 -4.494 23.533 1.00 46.66 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -39.197 -5.602 24.196 1.00 47.59 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -37.416 -3.444 25.606 1.00 46.43 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -35.994 -3.555 25.952 1.00 46.03 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -35.446 -4.961 25.747 1.00 45.69 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -34.281 -5.238 26.061 1.00 45.30 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -35.763 -3.155 27.405 1.00 46.00 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -35.719 -1.395 27.662 1.00 46.95 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -36.288 -5.850 25.235 1.00 45.47 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -35.866 -7.213 24.988 1.00 45.56 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -35.148 -7.310 23.634 1.00 45.43 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -35.639 -7.947 22.705 1.00 45.45 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -37.062 -8.154 25.058 1.00 45.64 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -33.988 -6.663 23.529 1.00 45.25 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -33.169 -6.731 22.312 1.00 45.11 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -32.370 -8.045 22.248 1.00 45.21 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -31.709 -8.334 21.257 1.00 45.10 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -32.237 -5.513 22.195 1.00 44.88 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? -31.354 -5.300 23.400 1.00 44.31 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -31.480 -4.148 24.169 1.00 43.58 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? -30.403 -6.252 23.768 1.00 42.75 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? -30.682 -3.945 25.277 1.00 43.30 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? -29.612 -6.066 24.879 1.00 42.75 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? -29.749 -4.908 25.642 1.00 43.41 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -32.442 -8.834 23.315 1.00 45.40 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -31.844 -10.163 23.353 1.00 45.70 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -32.710 -11.204 22.649 1.00 45.35 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -32.249 -12.308 22.367 1.00 45.92 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -31.595 -10.591 24.807 1.00 46.53 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -32.761 -10.252 25.741 1.00 47.98 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -33.225 -9.084 25.759 1.00 49.33 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -33.202 -11.161 26.478 1.00 50.64 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -33.961 -10.845 22.369 1.00 44.44 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -34.932 -11.765 21.778 1.00 43.91 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -35.406 -11.338 20.390 1.00 41.67 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -36.242 -12.003 19.798 1.00 42.03 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -36.148 -11.928 22.699 1.00 43.95 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -35.880 -12.744 23.960 1.00 46.32 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -36.972 -12.578 25.017 1.00 46.90 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -36.663 -12.711 26.229 1.00 50.54 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -38.139 -12.306 24.640 1.00 50.83 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -34.878 -10.234 19.870 1.00 39.34 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -35.255 -9.776 18.538 1.00 36.75 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -34.738 -10.690 17.426 1.00 35.32 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -35.506 -11.135 16.589 1.00 35.51 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -34.808 -8.343 18.305 1.00 36.09 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -35.420 -7.717 17.092 1.00 35.59 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -36.758 -7.286 17.110 1.00 33.56 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -34.667 -7.551 15.926 1.00 33.23 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -37.334 -6.702 15.991 1.00 32.79 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -35.231 -6.957 14.802 1.00 32.92 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -36.571 -6.527 14.831 1.00 33.58 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -33.443 -10.964 17.420 1.00 33.31 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -32.858 -11.856 16.435 1.00 31.80 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -32.874 -13.283 16.954 1.00 31.23 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -32.841 -13.504 18.162 1.00 31.42 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -31.437 -11.419 16.105 1.00 30.90 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? -31.378 -10.129 15.380 1.00 30.12 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -31.785 -10.047 14.054 1.00 28.65 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? -30.926 -8.979 16.017 1.00 30.40 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -31.759 -8.848 13.379 1.00 27.59 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? -30.877 -7.770 15.334 1.00 28.10 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? -31.306 -7.708 14.013 1.00 28.54 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -32.936 -14.261 16.056 1.00 30.35 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -32.972 -15.638 16.533 1.00 29.81 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -31.601 -15.989 17.110 1.00 29.05 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -31.510 -16.541 18.197 1.00 29.58 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -33.419 -16.621 15.448 1.00 29.55 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -32.674 -16.457 14.267 1.00 29.70 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? -30.547 -15.605 16.393 1.00 27.64 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? -29.167 -15.840 16.802 1.00 26.37 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? -28.318 -14.699 16.278 1.00 25.04 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? -28.638 -14.104 15.251 1.00 24.80 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? -28.634 -17.143 16.208 1.00 26.71 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? -29.429 -18.369 16.580 1.00 28.67 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? -28.865 -19.602 15.968 1.00 31.46 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? -28.232 -20.404 16.647 1.00 34.22 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? -29.061 -19.763 14.667 1.00 33.21 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? -27.234 -14.412 16.988 1.00 23.28 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? -26.326 -13.348 16.630 1.00 21.99 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? -24.903 -13.761 16.941 1.00 21.00 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? -24.672 -14.719 17.666 1.00 20.79 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? -26.668 -12.060 17.391 1.00 21.73 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? -28.049 -11.752 17.262 1.00 23.64 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? -23.955 -13.066 16.331 1.00 19.68 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? -22.662 -12.941 16.930 1.00 19.14 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? -22.539 -11.475 17.368 1.00 18.73 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? -22.391 -10.589 16.544 1.00 18.30 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? -21.536 -13.340 15.966 1.00 19.10 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? -19.880 -13.080 16.714 1.00 20.04 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? -22.637 -11.223 18.663 1.00 18.83 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? -22.435 -9.863 19.201 1.00 19.53 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? -21.300 -9.947 20.235 1.00 19.25 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? -21.568 -10.188 21.405 1.00 19.26 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? -23.729 -9.325 19.835 1.00 18.24 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? -20.035 -9.804 19.794 1.00 19.06 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? -18.930 -10.011 20.731 1.00 19.88 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? -18.997 -9.135 21.979 1.00 20.21 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? -19.199 -7.922 21.876 1.00 21.56 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? -17.677 -9.744 19.876 1.00 19.81 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? -18.119 -10.073 18.495 1.00 19.52 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? -19.537 -9.519 18.440 1.00 19.11 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? -18.857 -9.758 23.152 1.00 20.03 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? -19.024 -9.046 24.423 1.00 19.06 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? -20.323 -9.344 25.161 1.00 18.99 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? -20.485 -8.917 26.286 1.00 18.81 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? -21.254 -10.054 24.528 1.00 19.28 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? -22.481 -10.540 25.180 1.00 20.15 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? -22.219 -11.883 25.917 1.00 20.71 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? -21.132 -12.408 25.853 1.00 20.74 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? -23.584 -10.669 24.167 1.00 19.17 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? -23.191 -12.421 26.636 1.00 22.52 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? -22.979 -13.649 27.441 1.00 24.10 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? -22.697 -14.810 26.476 1.00 24.87 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? -23.536 -15.120 25.629 1.00 24.96 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? -24.221 -13.899 28.332 1.00 24.65 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? -24.185 -15.240 29.129 1.00 26.46 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? -23.144 -15.901 29.252 1.00 27.33 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? -25.253 -15.625 29.664 1.00 31.28 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? -21.504 -15.443 26.581 1.00 25.71 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? -21.104 -16.443 25.560 1.00 26.40 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? -22.099 -17.600 25.408 1.00 27.51 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? -22.059 -18.339 24.415 1.00 27.89 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? -19.753 -16.960 26.051 1.00 25.44 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? -19.325 -16.044 27.127 1.00 25.74 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? -20.488 -15.274 27.635 1.00 25.26 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? -22.987 -17.750 26.382 1.00 28.54 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? -23.945 -18.826 26.326 1.00 29.91 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? -25.390 -18.371 26.059 1.00 30.04 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? -26.298 -19.201 26.000 1.00 30.90 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? -23.774 -19.737 27.545 1.00 30.56 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? -24.774 -19.500 28.683 1.00 33.61 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? -24.143 -20.083 29.946 1.00 37.24 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? -23.246 -19.045 30.588 1.00 39.42 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? -24.145 -18.055 31.267 1.00 39.07 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? -25.582 -17.066 25.840 1.00 29.50 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? -26.804 -16.538 25.225 1.00 28.64 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? -26.781 -16.631 23.683 1.00 28.37 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? -25.728 -16.873 23.071 1.00 27.44 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? -27.007 -15.081 25.633 1.00 29.03 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? -26.064 -14.252 24.986 1.00 28.88 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? -27.948 -16.405 23.076 1.00 27.96 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? -28.121 -16.468 21.627 1.00 28.01 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? -27.456 -15.320 20.876 1.00 26.70 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? -27.180 -15.432 19.672 1.00 26.22 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? -29.603 -16.554 21.259 1.00 29.14 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? -30.416 -15.387 21.729 1.00 33.22 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -31.846 -15.832 22.018 1.00 39.57 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -32.784 -15.316 21.034 1.00 42.96 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -34.105 -15.402 21.157 1.00 46.56 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -34.628 -15.978 22.231 1.00 47.24 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -34.907 -14.909 20.210 1.00 48.15 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? -27.205 -14.227 21.599 1.00 25.41 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? -26.359 -13.132 21.130 1.00 23.96 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? -24.914 -13.541 20.829 1.00 22.98 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? -24.208 -12.790 20.188 1.00 22.68 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? -26.363 -11.997 22.155 1.00 24.25 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? -27.659 -11.184 22.244 1.00 24.93 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? -27.706 -10.315 23.517 1.00 23.52 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? -27.914 -10.352 20.964 1.00 24.06 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? -24.470 -14.707 21.320 1.00 22.41 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? -23.135 -15.253 20.998 1.00 21.61 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? -23.170 -16.561 20.184 1.00 21.57 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? -22.118 -17.116 19.846 1.00 21.31 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? -22.317 -15.470 22.268 1.00 21.23 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? -21.736 -13.983 23.084 1.00 20.74 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? -24.367 -17.038 19.849 1.00 21.38 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? -24.517 -18.335 19.166 1.00 22.19 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? -23.745 -18.433 17.844 1.00 22.49 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? -23.229 -19.487 17.494 1.00 23.31 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? -25.988 -18.671 18.961 1.00 22.05 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? -23.632 -17.322 17.126 1.00 22.82 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? -22.993 -17.341 15.820 1.00 21.99 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? -21.505 -17.022 15.862 1.00 21.88 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? -20.831 -17.148 14.835 1.00 22.23 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? -23.724 -16.395 14.860 1.00 22.51 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? -25.230 -16.573 14.598 1.00 22.82 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? -25.663 -15.525 13.598 1.00 23.95 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? -25.601 -17.974 14.092 1.00 21.40 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? -20.984 -16.607 17.026 1.00 21.38 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? -19.541 -16.363 17.172 1.00 20.56 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? -18.752 -17.671 17.174 1.00 20.79 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? -19.254 -18.718 17.586 1.00 20.40 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? -19.213 -15.530 18.408 1.00 20.30 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? -20.074 -13.926 18.530 1.00 19.91 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? -17.514 -17.604 16.700 1.00 21.24 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? -16.751 -18.805 16.401 1.00 22.14 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? -15.474 -18.973 17.220 1.00 22.79 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? -14.915 -20.069 17.235 1.00 24.27 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? -16.421 -18.867 14.881 1.00 21.76 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? -15.012 -17.924 17.897 1.00 22.43 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? -13.764 -18.006 18.621 1.00 22.67 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? -12.568 -17.950 17.683 1.00 23.57 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? -12.657 -17.428 16.569 1.00 23.20 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? -11.448 -18.491 18.144 1.00 24.02 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? -10.173 -18.356 17.464 1.00 25.13 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? -9.890 -19.625 16.657 1.00 25.64 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? -10.787 -20.465 16.510 1.00 26.14 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? -9.066 -18.081 18.509 1.00 25.07 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? -8.768 -19.286 19.408 1.00 24.97 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? -9.330 -20.381 19.199 1.00 24.11 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? -7.956 -19.147 20.342 1.00 27.12 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? -8.657 -19.768 16.171 0.50 26.75 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? -8.178 -20.978 15.481 0.50 28.19 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? -8.675 -22.292 16.060 0.50 28.74 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? -8.865 -23.257 15.332 0.50 28.88 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? -6.650 -21.008 15.488 0.50 28.30 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? -6.046 -20.114 14.431 0.50 30.14 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? -6.732 -19.852 13.412 0.50 32.15 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? -4.884 -19.671 14.614 0.50 31.96 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? -8.880 -22.310 17.374 1.00 29.93 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? -9.180 -23.522 18.135 1.00 30.64 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? -10.552 -23.579 18.755 1.00 30.20 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? -10.824 -24.524 19.492 1.00 30.73 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? -8.215 -23.647 19.305 1.00 31.20 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? -6.769 -23.874 18.954 1.00 35.59 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? -6.016 -24.497 20.120 1.00 41.49 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? -6.466 -25.500 20.709 1.00 43.78 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? -4.869 -23.904 20.471 1.00 43.02 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? -11.393 -22.573 18.534 1.00 29.77 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? -12.705 -22.531 19.185 1.00 29.12 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? -12.674 -21.945 20.587 1.00 29.37 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? -13.718 -21.877 21.291 1.00 29.69 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? -11.491 -21.498 21.013 1.00 28.68 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? -11.388 -20.827 22.295 1.00 28.19 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? -11.793 -19.378 22.099 1.00 27.49 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? -11.806 -18.900 20.980 1.00 27.02 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? -9.978 -20.944 22.877 1.00 28.70 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? -9.402 -22.353 23.101 1.00 29.35 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? -8.104 -22.248 23.856 1.00 29.21 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? -10.372 -23.252 23.850 1.00 30.17 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? -12.164 -18.709 23.187 1.00 26.93 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? -12.393 -17.272 23.182 1.00 26.61 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? -13.646 -16.841 22.432 1.00 26.37 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? -13.735 -15.709 21.932 1.00 26.79 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? -11.153 -16.538 22.670 1.00 26.64 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? -10.179 -16.216 23.784 1.00 28.74 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? -10.543 -16.384 24.967 1.00 29.99 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? -9.043 -15.788 23.493 1.00 31.71 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? -14.621 -17.741 22.378 1.00 25.25 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? -15.858 -17.499 21.671 1.00 24.12 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? -16.549 -16.258 22.239 1.00 22.97 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? -16.855 -16.186 23.442 1.00 23.07 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? -16.735 -18.735 21.781 1.00 24.88 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? -18.063 -18.667 21.070 1.00 27.56 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? -19.063 -19.553 21.837 1.00 31.89 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? -20.503 -19.297 21.421 1.00 32.47 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? -20.654 -19.659 19.972 1.00 34.42 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? -16.742 -15.269 21.373 1.00 20.72 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? -17.530 -14.089 21.691 1.00 19.82 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? -16.754 -13.020 22.480 1.00 19.13 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? -17.363 -12.067 22.954 1.00 18.93 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? -18.851 -14.475 22.407 1.00 19.60 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? -20.210 -13.391 21.964 1.00 18.95 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? -15.435 -13.167 22.608 1.00 18.29 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? -14.622 -12.118 23.222 1.00 19.36 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? -14.595 -10.907 22.329 1.00 19.12 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? -14.470 -11.046 21.109 1.00 19.16 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? -13.140 -12.510 23.501 1.00 19.51 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? -13.062 -13.553 24.580 1.00 20.70 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? -12.398 -12.956 22.206 1.00 19.57 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? -14.723 -9.714 22.927 1.00 18.98 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? -14.664 -8.487 22.129 1.00 18.80 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? -13.210 -8.043 21.905 1.00 19.59 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? -12.780 -6.978 22.382 1.00 19.41 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? -15.474 -7.484 22.955 1.00 18.69 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? -15.468 -8.010 24.372 1.00 18.45 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? -14.971 -9.452 24.357 1.00 18.77 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? -12.461 -8.910 21.226 1.00 19.63 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? -11.180 -8.593 20.628 1.00 20.37 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? -11.013 -9.465 19.377 1.00 21.26 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? -11.848 -10.344 19.109 1.00 21.24 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? -10.003 -8.708 21.617 1.00 20.20 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? -9.674 -10.139 22.015 1.00 20.02 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? -9.528 -11.016 21.177 1.00 24.82 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? -9.497 -10.361 23.294 1.00 18.26 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? -9.946 -9.226 18.625 1.00 21.53 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? -9.811 -9.793 17.297 1.00 22.32 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? -9.479 -11.275 17.267 1.00 22.57 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? -9.429 -11.849 16.195 1.00 23.50 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? -8.787 -9.007 16.492 1.00 22.06 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? -7.515 -9.155 17.082 1.00 23.35 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? -9.242 -11.892 18.418 1.00 22.60 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? -9.228 -13.352 18.498 1.00 23.71 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? -10.568 -13.974 18.086 1.00 23.30 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? -10.577 -15.078 17.548 1.00 24.18 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? -8.915 -13.838 19.916 1.00 24.66 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? -7.516 -13.578 20.379 1.00 27.33 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? -7.179 -14.499 21.540 1.00 33.16 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? -6.967 -15.942 21.052 1.00 36.07 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? -6.864 -16.909 22.181 1.00 37.09 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? -11.683 -13.296 18.380 1.00 21.78 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? -12.988 -13.677 17.854 1.00 21.69 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? -13.012 -13.455 16.307 1.00 21.66 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? -12.747 -12.353 15.808 1.00 21.99 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? -14.129 -12.944 18.599 1.00 21.42 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? -15.571 -13.064 18.005 1.00 20.83 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? -16.000 -14.504 17.732 1.00 21.10 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? -16.034 -15.309 18.698 1.00 19.81 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? -16.288 -14.838 16.551 1.00 17.49 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? -13.284 -14.531 15.575 1.00 21.02 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? -13.324 -14.546 14.111 1.00 20.88 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? -14.189 -13.413 13.542 1.00 19.99 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? -13.782 -12.705 12.617 1.00 19.59 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? -13.894 -15.896 13.684 1.00 20.83 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? -13.748 -16.230 12.234 1.00 23.47 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? -14.201 -17.664 12.013 1.00 25.79 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? -13.776 -18.156 10.652 1.00 28.70 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? -14.547 -19.398 10.214 1.00 32.40 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? -15.373 -13.253 14.133 1.00 19.21 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? -16.387 -12.313 13.688 1.00 18.27 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? -16.451 -11.007 14.493 1.00 17.56 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? -17.470 -10.316 14.472 1.00 17.76 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? -17.761 -13.001 13.616 1.00 18.32 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? -17.766 -14.244 12.744 1.00 17.77 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? -17.216 -14.228 11.463 1.00 18.75 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? -18.328 -15.428 13.202 1.00 17.72 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? -17.221 -15.363 10.661 1.00 18.24 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? -18.335 -16.564 12.435 1.00 19.09 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? -17.778 -16.536 11.160 1.00 20.61 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? -17.793 -17.695 10.400 1.00 20.51 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? -15.350 -10.655 15.150 1.00 17.15 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? -15.216 -9.371 15.861 1.00 17.10 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? -14.961 -8.159 14.957 1.00 17.48 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? -14.238 -8.253 13.964 1.00 17.57 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? -14.078 -9.435 16.901 1.00 16.93 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? -13.839 -8.106 17.599 1.00 15.11 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? -14.678 -7.678 18.608 1.00 16.08 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? -12.791 -7.273 17.225 1.00 16.37 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? -14.483 -6.438 19.250 1.00 16.85 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? -12.581 -6.042 17.859 1.00 14.03 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? -13.433 -5.642 18.866 1.00 15.15 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? -13.254 -4.442 19.490 1.00 16.79 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? -15.511 -7.006 15.327 1.00 17.16 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? -15.180 -5.773 14.622 1.00 17.04 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? -15.841 -5.632 13.256 1.00 17.34 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? -16.654 -6.485 12.849 1.00 17.51 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? -15.505 -4.548 12.558 1.00 16.81 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? -16.058 -4.276 11.241 1.00 17.19 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? -15.848 -5.442 10.271 1.00 17.12 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? -16.766 -5.844 9.572 1.00 17.61 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? -15.439 -3.007 10.635 1.00 16.84 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? -15.746 -1.712 11.349 1.00 16.03 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? -17.057 -1.228 11.448 1.00 15.99 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? -14.720 -0.953 11.878 1.00 13.47 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? -17.328 -0.021 12.087 1.00 16.58 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? -14.963 0.232 12.505 1.00 14.71 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? -16.262 0.708 12.606 1.00 17.23 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? -16.472 1.906 13.253 1.00 17.12 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? -14.628 -5.947 10.226 1.00 17.84 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? -14.230 -6.978 9.282 1.00 19.13 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? -14.827 -8.335 9.635 1.00 18.47 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? -15.260 -9.069 8.752 1.00 18.21 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? -12.686 -7.073 9.206 1.00 19.46 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? -12.183 -5.788 8.850 1.00 22.75 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? -12.238 -8.058 8.127 1.00 19.69 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? -14.836 -8.656 10.931 1.00 18.27 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? -15.422 -9.898 11.437 1.00 16.96 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? -16.916 -9.993 11.198 1.00 16.54 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? -17.401 -11.040 10.729 1.00 16.76 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? -17.645 -8.921 11.536 1.00 16.00 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? -19.095 -8.821 11.283 1.00 16.21 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? -19.431 -8.891 9.797 1.00 17.20 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? -20.408 -9.509 9.416 1.00 18.24 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? -19.658 -7.561 11.855 1.00 15.72 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? -18.648 -8.246 8.948 1.00 17.43 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? -18.913 -8.366 7.544 1.00 18.83 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? -18.624 -9.800 7.047 1.00 19.52 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? -19.373 -10.325 6.224 1.00 20.35 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? -18.161 -7.301 6.737 1.00 19.02 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? -18.477 -7.341 5.286 1.00 19.83 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? -19.762 -7.023 4.833 1.00 20.55 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? -17.521 -7.762 4.362 1.00 20.86 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? -20.081 -7.085 3.478 1.00 18.37 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? -17.830 -7.819 3.004 1.00 19.92 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? -19.100 -7.470 2.564 1.00 20.44 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? -17.552 -10.424 7.554 1.00 19.68 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? -17.240 -11.836 7.276 1.00 19.72 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? -18.340 -12.798 7.712 1.00 19.85 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? -18.638 -13.777 7.034 1.00 19.99 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? -15.947 -12.235 7.960 1.00 19.69 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? -15.520 -13.620 7.600 1.00 19.76 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? -14.350 -14.087 8.427 1.00 20.92 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? -13.849 -15.367 7.937 1.00 21.65 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? -12.636 -15.861 8.191 1.00 24.42 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? -11.772 -15.203 8.963 1.00 24.11 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? -12.292 -17.034 7.682 1.00 23.76 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? -18.928 -12.516 8.868 1.00 20.65 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? -20.066 -13.265 9.396 1.00 20.53 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? -21.193 -13.269 8.347 1.00 21.25 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? -21.845 -14.297 8.106 1.00 21.70 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? -20.470 -12.634 10.742 1.00 20.05 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? -22.025 -13.101 11.523 1.00 19.54 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? -21.401 -12.131 7.697 1.00 21.39 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? -22.418 -12.059 6.668 1.00 22.35 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? -21.935 -12.746 5.371 1.00 22.96 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? -22.667 -13.518 4.758 1.00 23.28 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? -22.868 -10.594 6.442 1.00 22.38 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? -23.655 -10.265 5.156 1.00 23.01 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? -25.122 -10.696 5.237 1.00 21.27 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? -23.544 -8.776 4.823 1.00 21.83 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? -20.702 -12.469 4.971 1.00 23.49 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? -20.162 -12.997 3.725 1.00 24.99 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? -20.140 -14.525 3.685 1.00 26.01 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? -20.211 -15.117 2.604 1.00 27.07 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? -18.760 -12.434 3.465 1.00 24.49 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? -20.041 -15.157 4.853 1.00 26.00 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? -19.978 -16.605 4.946 1.00 26.26 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? -21.362 -17.181 5.204 1.00 26.37 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? -21.527 -18.396 5.338 1.00 25.99 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? -19.021 -17.015 6.060 1.00 26.45 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? -17.583 -16.615 5.784 1.00 29.06 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? -16.587 -17.183 6.781 1.00 31.15 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? -16.965 -17.514 7.933 1.00 32.63 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? -15.407 -17.287 6.397 1.00 32.44 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? -22.350 -16.292 5.288 1.00 26.39 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? -23.749 -16.668 5.466 1.00 26.60 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? -24.004 -17.301 6.800 1.00 26.03 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? -24.917 -18.107 6.935 1.00 26.56 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? -24.246 -17.597 4.341 1.00 27.06 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? -24.203 -16.925 2.978 1.00 28.97 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? -24.674 -15.773 2.864 1.00 28.95 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? -23.662 -17.542 2.036 1.00 31.23 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? -23.194 -16.933 7.785 1.00 25.47 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? -23.490 -17.267 9.173 1.00 24.43 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? -24.656 -16.383 9.608 1.00 23.68 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? -25.602 -16.857 10.216 1.00 23.76 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? -22.247 -17.091 10.094 1.00 24.70 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? -22.622 -17.254 11.563 1.00 24.29 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? -21.158 -18.085 9.722 1.00 24.42 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? -24.610 -15.100 9.263 1.00 22.72 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? -25.722 -14.231 9.591 1.00 21.27 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? -26.455 -13.748 8.373 1.00 20.67 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? -25.967 -13.875 7.258 1.00 20.30 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? -27.638 -13.181 8.598 1.00 20.78 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? -28.463 -12.612 7.529 1.00 20.80 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? -28.196 -11.145 7.263 1.00 20.77 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? -28.383 -10.662 6.137 1.00 20.82 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? -29.934 -12.802 7.843 1.00 21.01 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? -30.361 -14.247 7.706 1.00 22.26 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? -30.130 -14.843 6.610 1.00 24.07 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? -30.906 -14.774 8.694 1.00 20.49 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? -27.761 -10.455 8.314 1.00 20.46 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? -27.461 -9.039 8.273 1.00 19.93 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? -26.198 -8.730 9.101 1.00 19.89 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? -25.946 -9.362 10.125 1.00 20.60 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? -28.695 -8.199 8.716 1.00 19.78 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? -29.184 -8.606 10.125 1.00 19.56 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? -28.415 -6.702 8.603 1.00 18.53 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? -25.400 -7.782 8.622 1.00 19.25 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? -24.255 -7.275 9.347 1.00 18.77 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? -24.464 -5.787 9.567 1.00 19.05 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? -24.914 -5.066 8.675 1.00 18.83 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? -22.955 -7.525 8.578 1.00 18.64 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? -24.127 -5.339 10.773 1.00 18.70 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? -24.195 -3.951 11.124 1.00 17.85 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? -22.777 -3.438 11.235 1.00 18.41 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? -22.050 -3.704 12.216 1.00 18.35 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? -24.945 -3.812 12.424 1.00 17.76 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? -26.372 -4.265 12.341 1.00 16.46 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? -27.341 -3.457 11.724 1.00 14.51 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? -26.749 -5.490 12.857 1.00 14.04 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? -28.660 -3.853 11.653 1.00 15.02 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? -28.071 -5.904 12.792 1.00 14.78 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? -29.041 -5.072 12.191 1.00 15.30 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? -22.387 -2.722 10.183 1.00 18.53 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? -21.034 -2.259 9.981 1.00 18.37 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? -21.122 -0.811 9.506 1.00 19.06 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? -22.132 -0.144 9.706 1.00 19.55 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? -20.276 -3.152 8.965 1.00 18.30 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? -19.986 -4.496 9.569 1.00 18.34 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? -21.074 -3.337 7.663 1.00 16.84 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? -20.058 -0.318 8.900 1.00 19.25 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? -20.054 1.025 8.373 1.00 19.92 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? -19.873 0.913 6.856 1.00 20.74 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? -19.446 -0.144 6.363 1.00 20.82 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? -18.915 1.833 8.998 1.00 19.46 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? -17.521 1.267 8.709 1.00 17.24 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? -16.452 2.279 9.044 1.00 14.84 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? -15.167 1.572 9.263 1.00 14.74 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? -14.096 2.574 9.548 1.00 15.94 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? -20.177 1.996 6.134 1.00 21.41 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? -20.133 1.991 4.661 1.00 22.10 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? -18.807 1.473 4.097 1.00 21.90 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? -18.795 0.651 3.175 1.00 21.94 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? -20.478 3.381 4.093 1.00 22.08 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? -19.964 3.589 2.659 1.00 24.65 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? -20.327 2.846 1.736 1.00 25.52 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? -19.102 4.605 2.483 1.00 28.13 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? -17.707 1.956 4.669 1.00 21.64 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? -16.368 1.659 4.201 1.00 21.99 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? -16.029 0.163 4.168 1.00 21.98 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? -15.324 -0.314 3.259 1.00 22.45 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? -15.369 2.434 5.064 1.00 22.77 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? -15.751 3.917 5.207 1.00 24.22 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? -16.498 4.298 6.128 1.00 24.00 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? -15.296 4.718 4.373 1.00 28.57 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? -16.553 -0.577 5.138 1.00 21.56 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? -16.253 -1.995 5.299 1.00 21.88 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? -16.625 -2.834 4.080 1.00 22.23 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? -15.853 -3.678 3.687 1.00 21.96 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? -16.951 -2.560 6.554 1.00 21.74 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? -16.741 -1.659 7.637 1.00 22.97 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? -16.412 -3.941 6.933 1.00 20.26 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? -17.816 -2.607 3.520 1.00 23.43 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? -18.270 -3.238 2.270 1.00 24.78 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? -17.280 -3.000 1.107 1.00 25.70 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? -16.817 -3.938 0.489 1.00 24.99 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? -19.682 -2.726 1.888 1.00 24.96 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? -20.226 -3.468 0.668 1.00 24.82 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? -20.647 -2.890 3.082 1.00 25.89 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? -16.931 -1.740 0.857 1.00 27.17 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? -15.958 -1.377 -0.168 1.00 28.65 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? -14.569 -1.980 0.063 1.00 29.40 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? -13.906 -2.388 -0.882 1.00 30.48 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? -15.865 0.153 -0.288 1.00 29.03 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? -17.155 0.750 -0.757 1.00 30.20 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? -18.296 0.950 -0.016 1.00 30.93 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? -17.463 1.194 -2.085 1.00 31.51 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? -19.288 1.505 -0.802 1.00 30.72 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? -18.805 1.656 -2.075 1.00 31.25 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? -16.738 1.243 -3.283 1.00 31.56 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? -19.430 2.154 -3.216 1.00 31.69 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? -17.357 1.750 -4.416 1.00 31.08 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? -18.693 2.197 -4.375 1.00 31.64 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? -14.119 -2.041 1.311 1.00 30.02 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? -12.744 -2.443 1.586 1.00 30.38 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? -12.543 -3.937 1.497 1.00 30.20 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? -11.418 -4.402 1.410 1.00 29.67 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? -12.278 -1.918 2.940 1.00 30.80 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? -11.917 -0.440 2.905 1.00 34.24 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? -11.887 0.227 4.278 1.00 37.99 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? -11.837 -0.479 5.318 1.00 38.59 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? -11.922 1.479 4.301 1.00 39.38 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? -13.637 -4.686 1.502 1.00 30.81 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? -13.562 -6.149 1.481 1.00 31.69 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? -14.228 -6.801 0.278 1.00 31.92 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? -14.528 -7.986 0.300 1.00 31.76 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? -14.117 -6.723 2.788 1.00 31.58 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? -13.331 -6.250 3.987 1.00 31.53 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? -12.193 -6.666 4.183 1.00 32.44 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? -13.919 -5.353 4.779 1.00 29.30 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? -14.452 -6.020 -0.770 1.00 32.86 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? -15.105 -6.532 -1.971 1.00 33.55 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? -14.346 -6.094 -3.221 1.00 34.61 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? -13.549 -5.146 -3.171 1.00 34.61 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? -16.583 -6.069 -2.085 1.00 33.11 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? -16.630 -4.643 -2.057 1.00 32.88 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? -17.460 -6.645 -0.982 1.00 30.59 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? -14.602 -6.804 -4.326 1.00 36.11 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? -14.050 -6.503 -5.656 1.00 37.42 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? -12.532 -6.440 -5.648 1.00 38.20 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? -11.949 -5.495 -6.184 1.00 38.64 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? -14.635 -5.196 -6.227 1.00 37.21 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? -16.118 -5.302 -6.554 1.00 38.37 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? -16.892 -5.962 -5.850 1.00 40.74 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? -16.526 -4.642 -7.621 1.00 39.65 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? -11.903 -7.426 -5.007 1.00 39.04 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? -10.437 -7.505 -4.936 1.00 40.33 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? -9.693 -6.608 -3.951 1.00 41.17 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? -8.469 -6.691 -3.840 1.00 41.34 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? -10.413 -5.765 -3.217 1.00 42.40 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? -9.774 -4.818 -2.294 1.00 43.64 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? -9.129 -5.488 -1.073 1.00 44.05 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? -8.265 -4.889 -0.439 1.00 44.27 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? -10.751 -3.720 -1.836 1.00 43.79 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? -11.103 -2.694 -2.890 1.00 45.56 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? -10.014 -1.637 -3.097 1.00 49.07 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? -9.095 -1.506 -2.256 1.00 50.04 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? -10.086 -0.914 -4.111 1.00 50.63 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? -9.523 -6.724 -0.760 1.00 44.56 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? -9.015 -7.394 0.437 1.00 45.38 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? -7.910 -8.444 0.207 1.00 46.12 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? -6.869 -8.402 0.884 1.00 47.15 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? -10.160 -7.979 1.273 1.00 45.32 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? -9.676 -8.811 2.318 1.00 45.03 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? -8.127 -9.384 -0.710 1.00 45.99 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? -7.184 -10.522 -0.920 1.00 46.34 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? -7.132 -11.585 0.211 1.00 45.88 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? -6.532 -12.647 0.033 1.00 46.35 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? -5.725 -10.088 -1.314 1.00 46.59 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? -4.975 -9.738 -0.144 1.00 47.82 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? -5.717 -8.916 -2.313 1.00 47.22 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? -7.757 -11.305 1.358 1.00 45.17 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? -8.016 -12.331 2.372 1.00 43.92 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? -8.943 -13.387 1.777 1.00 43.12 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? -9.870 -13.063 1.031 1.00 43.55 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? -8.631 -11.716 3.618 1.00 43.97 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? -8.685 -14.646 2.099 1.00 41.89 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? -9.306 -15.785 1.404 1.00 40.79 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? -10.835 -15.809 1.422 1.00 39.14 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? -11.461 -16.302 0.473 1.00 39.05 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? -8.749 -17.094 1.966 1.00 41.38 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? -8.473 -17.001 3.460 1.00 43.90 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? -9.449 -17.056 4.260 1.00 46.81 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? -7.284 -16.832 3.829 1.00 45.37 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? -11.439 -15.302 2.500 1.00 37.59 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? -12.906 -15.239 2.596 1.00 35.25 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? -13.444 -14.103 1.737 1.00 34.67 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? -14.588 -14.161 1.307 1.00 34.16 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? -13.387 -15.116 4.054 1.00 34.25 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? -12.957 -13.861 4.723 1.00 32.37 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? -11.793 -13.649 5.406 1.00 31.63 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? -13.671 -12.628 4.753 1.00 30.49 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? -11.740 -12.355 5.863 1.00 30.42 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? -12.884 -11.706 5.479 1.00 30.71 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? -14.904 -12.207 4.236 1.00 30.50 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? -13.292 -10.381 5.706 1.00 31.82 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? -15.306 -10.885 4.457 1.00 31.82 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? -14.501 -9.992 5.192 1.00 31.64 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? -12.602 -13.100 1.470 1.00 34.20 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? -13.019 -11.859 0.785 1.00 34.69 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? -12.571 -11.709 -0.681 1.00 35.01 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? -13.045 -10.808 -1.378 1.00 34.46 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? -12.598 -10.624 1.600 1.00 33.74 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? -11.656 -12.584 -1.123 1.00 36.08 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? -11.118 -12.633 -2.509 1.00 36.24 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? -12.185 -12.526 -3.593 1.00 36.08 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? -12.047 -11.751 -4.547 1.00 36.21 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? -10.420 -13.975 -2.750 1.00 36.39 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? -9.082 -14.149 -2.133 1.00 38.03 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? -8.392 -15.379 -2.733 1.00 40.79 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? -9.278 -16.639 -2.719 1.00 41.43 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? -8.490 -17.883 -3.007 1.00 41.31 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? -13.224 -13.345 -3.454 1.00 35.69 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? -14.250 -13.469 -4.472 1.00 35.71 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? -15.514 -12.681 -4.185 1.00 35.37 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? -16.520 -12.854 -4.876 1.00 35.37 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? -14.589 -14.949 -4.694 1.00 36.33 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? -13.502 -15.677 -5.465 1.00 37.08 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? -13.278 -15.402 -6.644 1.00 38.11 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? -12.814 -16.598 -4.799 1.00 37.74 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? -15.475 -11.811 -3.179 1.00 34.69 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? -16.665 -11.023 -2.858 1.00 34.29 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? -16.879 -9.880 -3.860 1.00 34.08 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? -15.944 -9.183 -4.246 1.00 33.19 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? -16.631 -10.507 -1.408 1.00 33.66 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? -16.624 -11.577 -0.307 1.00 33.21 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? -16.492 -10.916 1.071 1.00 29.11 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? -17.850 -12.518 -0.380 1.00 29.39 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? -18.138 -9.706 -4.248 1.00 34.66 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? -18.549 -8.749 -5.257 1.00 35.19 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? -19.544 -7.748 -4.650 1.00 34.81 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? -20.524 -8.157 -4.061 1.00 34.69 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? -19.211 -9.532 -6.411 1.00 35.66 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? -19.107 -8.887 -7.787 1.00 37.90 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? -20.067 -7.722 -7.931 1.00 40.26 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? -19.307 -6.428 -8.234 1.00 42.89 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? -20.176 -5.224 -8.282 1.00 43.13 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? -19.305 -6.445 -4.817 1.00 35.20 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? -20.237 -5.389 -4.353 1.00 35.31 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? -21.702 -5.580 -4.761 1.00 35.49 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? -22.620 -5.276 -3.988 1.00 35.28 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? -19.783 -4.018 -4.864 1.00 35.64 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? -18.944 -3.238 -3.885 1.00 36.66 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? -17.964 -2.326 -4.578 1.00 35.57 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? -16.660 -2.427 -3.931 1.00 35.43 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? -15.531 -1.927 -4.424 1.00 35.93 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? -15.533 -1.269 -5.581 1.00 36.14 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? -14.396 -2.086 -3.759 1.00 34.58 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? -21.919 -6.055 -5.987 1.00 35.51 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? -23.267 -6.245 -6.504 1.00 35.64 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? -24.020 -7.350 -5.769 1.00 34.38 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? -25.243 -7.397 -5.818 1.00 35.31 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? -23.257 -6.522 -8.011 1.00 36.37 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? -24.065 -5.485 -8.849 1.00 40.73 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? -25.488 -5.208 -8.321 1.00 44.60 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? -26.329 -6.143 -8.322 1.00 46.90 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? -25.759 -4.046 -7.917 1.00 45.62 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? -23.298 -8.217 -5.073 1.00 32.77 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? -23.927 -9.288 -4.300 1.00 31.48 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? -24.452 -8.867 -2.922 1.00 30.42 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? -24.969 -9.697 -2.182 1.00 29.85 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? -22.974 -10.475 -4.168 1.00 31.26 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? -22.691 -11.148 -5.506 1.00 31.87 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? -23.481 -11.000 -6.462 1.00 31.85 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? -21.664 -11.840 -5.607 1.00 35.39 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? -24.343 -7.575 -2.602 1.00 29.45 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? -24.792 -7.044 -1.317 1.00 28.59 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? -25.792 -5.929 -1.515 1.00 28.26 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? -25.740 -5.222 -2.517 1.00 28.85 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? -23.592 -6.564 -0.474 1.00 28.10 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? -22.614 -7.655 -0.166 1.00 27.53 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? -22.820 -8.506 0.916 1.00 25.57 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? -21.515 -7.871 -0.992 1.00 26.57 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? -21.915 -9.544 1.196 1.00 26.64 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? -20.620 -8.909 -0.738 1.00 28.01 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? -20.820 -9.752 0.373 1.00 27.46 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? -26.709 -5.792 -0.565 1.00 27.33 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? -27.616 -4.651 -0.522 1.00 27.05 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? -27.593 -3.991 0.853 1.00 26.25 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? -27.444 -4.658 1.874 1.00 26.01 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? -29.059 -5.076 -0.833 1.00 26.86 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? -29.288 -5.525 -2.250 1.00 29.01 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? -29.178 -4.345 -3.206 1.00 31.80 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? -29.354 -4.732 -4.598 1.00 34.38 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? -28.377 -4.809 -5.492 1.00 36.20 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? -27.117 -4.529 -5.155 1.00 38.05 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? -28.662 -5.165 -6.737 1.00 37.43 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? -27.769 -2.678 0.863 1.00 25.52 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? -28.037 -1.929 2.093 1.00 24.61 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? -29.512 -1.925 2.421 1.00 24.94 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? -30.346 -1.821 1.516 1.00 24.75 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? -27.559 -0.495 1.935 1.00 23.92 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? -26.087 -0.435 1.565 1.00 21.52 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? -25.680 1.004 1.372 1.00 21.70 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? -25.239 -1.131 2.617 1.00 17.75 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? -29.832 -2.053 3.710 1.00 25.36 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? -31.211 -1.918 4.201 1.00 26.35 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -31.472 -0.490 4.683 1.00 26.46 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? -30.832 -0.015 5.620 1.00 26.69 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -31.513 -2.907 5.332 1.00 26.31 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? -31.341 -4.418 5.131 1.00 28.72 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -31.869 -5.162 6.392 1.00 30.75 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -32.074 -4.915 3.893 1.00 28.54 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -32.405 0.199 4.039 1.00 27.06 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -32.732 1.559 4.444 1.00 27.56 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -33.870 1.524 5.409 1.00 27.84 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -34.607 0.551 5.463 1.00 28.34 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -33.100 2.434 3.260 1.00 26.73 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -32.283 2.037 1.775 1.00 27.57 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -34.016 2.592 6.174 1.00 28.97 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -35.082 2.642 7.172 1.00 30.43 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -36.502 2.745 6.572 1.00 31.21 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -37.465 2.360 7.227 1.00 31.68 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -34.827 3.754 8.195 1.00 30.50 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -33.625 3.581 9.127 1.00 30.18 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -33.362 4.869 9.904 1.00 30.06 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -33.831 2.402 10.069 1.00 30.84 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -36.633 3.207 5.325 1.00 31.64 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -37.961 3.230 4.692 1.00 32.42 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -38.486 1.872 4.188 1.00 32.81 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -39.496 1.846 3.498 1.00 33.60 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -38.037 4.277 3.565 1.00 32.16 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -37.054 4.014 2.447 1.00 31.83 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -36.376 2.959 2.444 1.00 35.01 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -36.936 4.882 1.565 1.00 29.49 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -37.820 0.761 4.525 1.00 33.00 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -38.203 -0.560 4.017 1.00 32.41 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -37.615 -0.914 2.656 1.00 32.72 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -37.855 -1.985 2.119 1.00 33.19 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -36.814 -0.028 2.102 1.00 32.65 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -36.212 -0.247 0.790 1.00 33.05 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -34.882 -1.021 0.887 1.00 32.49 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -34.368 -1.239 1.976 1.00 32.68 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -36.089 1.138 0.076 1.00 33.39 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -37.347 1.435 -0.552 1.00 35.59 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -34.980 1.190 -0.959 1.00 33.94 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -34.365 -1.469 -0.251 1.00 31.97 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -33.040 -2.060 -0.349 1.00 31.72 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -32.320 -1.338 -1.458 1.00 31.60 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -32.887 -1.134 -2.519 1.00 31.94 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -33.116 -3.533 -0.740 1.00 31.45 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -33.669 -4.440 0.306 1.00 31.34 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -34.285 -5.640 -0.353 1.00 30.87 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -33.333 -6.472 -1.085 1.00 31.44 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -32.756 -7.578 -0.602 1.00 30.22 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -33.009 -7.983 0.641 1.00 28.75 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -31.934 -8.289 -1.369 1.00 27.59 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? -31.066 -0.977 -1.236 1.00 31.68 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? -30.316 -0.264 -2.250 1.00 31.84 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? -28.942 -0.865 -2.474 1.00 31.59 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? -28.434 -1.595 -1.619 1.00 31.57 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? -30.221 1.219 -1.895 1.00 32.14 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -31.510 1.953 -2.212 1.00 33.93 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -31.413 3.411 -1.875 1.00 38.07 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -32.681 4.129 -2.280 1.00 40.93 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -32.515 5.600 -2.061 1.00 44.91 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? -28.348 -0.596 -3.648 1.00 31.26 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? -26.936 -0.927 -3.840 1.00 30.91 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? -26.033 -0.171 -2.861 1.00 30.51 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? -26.398 0.878 -2.323 1.00 30.22 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? -26.651 -0.479 -5.282 1.00 30.51 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? -28.004 -0.443 -5.938 1.00 31.67 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? -28.959 -0.033 -4.866 1.00 31.19 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? -24.842 -0.700 -2.668 1.00 30.43 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? -23.945 -0.180 -1.665 1.00 30.79 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? -23.352 1.153 -2.100 1.00 30.94 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? -22.769 1.874 -1.297 1.00 31.21 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? -22.891 -1.237 -1.236 1.00 30.98 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? -23.600 -2.539 -0.898 1.00 29.04 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? -21.838 -1.460 -2.321 1.00 30.84 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? -23.574 1.511 -3.361 1.00 31.07 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? -23.218 2.845 -3.864 1.00 30.61 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? -24.140 3.943 -3.332 1.00 30.48 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? -23.819 5.118 -3.479 1.00 30.92 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? -23.252 2.902 -5.413 1.00 30.68 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? -24.504 2.398 -5.881 1.00 30.98 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? -22.115 2.088 -6.038 1.00 30.61 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? -25.278 3.566 -2.727 1.00 30.47 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? -26.308 4.528 -2.281 1.00 30.14 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? -26.293 4.779 -0.783 1.00 29.13 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? -27.336 5.098 -0.201 1.00 29.47 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? -27.726 4.060 -2.639 1.00 30.52 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? -28.058 3.871 -4.105 1.00 34.06 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? -27.559 4.994 -4.987 1.00 39.17 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? -27.940 6.165 -4.749 1.00 41.72 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? -26.786 4.690 -5.927 1.00 40.78 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? -25.133 4.631 -0.158 1.00 27.81 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? -25.006 4.840 1.277 1.00 26.94 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? -25.410 6.244 1.754 1.00 26.08 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? -25.940 6.376 2.861 1.00 25.32 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? -23.581 4.496 1.742 1.00 27.53 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? -25.170 7.270 0.931 0.50 25.06 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? -25.565 8.646 1.259 0.50 24.71 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? -27.040 8.767 1.594 0.50 24.35 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? -27.433 9.631 2.355 0.50 23.34 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? -25.266 9.598 0.105 0.50 24.63 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? -23.882 10.202 0.096 0.50 26.37 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? -23.767 11.435 0.967 0.50 28.70 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? -23.931 11.377 2.200 0.50 29.00 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? -23.464 12.564 0.333 0.50 27.98 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? -27.851 7.910 0.990 1.00 24.95 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? -29.310 7.982 1.130 1.00 26.24 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? -29.911 6.733 1.761 1.00 26.22 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? -31.113 6.665 2.001 1.00 26.75 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? -29.986 8.288 -0.220 1.00 26.69 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? -29.618 7.336 -1.220 1.00 29.22 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? -29.064 5.751 2.057 1.00 26.56 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? -29.517 4.521 2.699 1.00 26.46 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? -28.602 4.083 3.887 1.00 26.14 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? -27.890 3.081 3.818 1.00 26.37 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? -29.627 3.445 1.628 1.00 26.26 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? -30.288 1.920 2.194 1.00 27.76 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? -28.614 4.858 4.964 1.00 25.35 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? -27.846 4.534 6.157 1.00 24.84 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? -28.715 4.694 7.404 1.00 24.76 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? -29.755 5.347 7.363 1.00 24.79 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? -26.578 5.389 6.251 1.00 24.22 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? -26.843 6.858 6.209 1.00 24.68 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? -26.711 7.607 5.060 1.00 24.84 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? -27.261 7.715 7.167 1.00 24.99 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? -27.016 8.862 5.315 1.00 23.52 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? -27.352 8.956 6.586 1.00 25.99 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? -28.289 4.080 8.506 1.00 24.49 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? -29.019 4.149 9.770 1.00 24.02 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? -28.704 5.433 10.550 1.00 23.98 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? -29.565 5.971 11.257 1.00 24.69 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? -28.707 2.916 10.632 1.00 24.05 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? -28.828 1.549 9.958 1.00 23.62 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? -28.584 0.448 10.978 1.00 23.35 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? -30.189 1.389 9.287 1.00 23.27 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? -27.466 5.902 10.444 1.00 23.49 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? -27.027 7.132 11.101 1.00 23.53 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? -25.646 7.492 10.613 1.00 23.55 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? -25.013 6.700 9.911 1.00 23.29 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? -27.027 6.982 12.639 1.00 23.40 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? -25.209 8.703 10.967 1.00 24.04 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? -23.827 9.164 10.798 1.00 24.36 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? -23.120 9.023 12.150 1.00 24.12 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? -23.622 9.483 13.163 1.00 24.35 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? -23.750 10.655 10.352 1.00 24.89 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? -22.278 11.124 10.253 1.00 24.30 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? -24.460 10.852 9.037 1.00 25.16 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? -21.961 8.371 12.154 1.00 24.12 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? -21.246 8.040 13.382 1.00 22.91 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? -20.028 8.930 13.557 1.00 22.56 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? -19.308 9.192 12.597 1.00 22.10 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? -20.830 6.586 13.364 1.00 22.90 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? -19.804 9.416 14.790 1.00 22.75 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? -18.571 10.148 15.051 1.00 22.34 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? -17.359 9.235 14.917 1.00 22.67 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? -17.374 8.074 15.365 1.00 22.89 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? -18.741 10.641 16.495 1.00 21.92 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? -19.739 9.725 17.105 1.00 22.82 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? -20.665 9.321 15.990 1.00 22.43 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? -16.315 9.755 14.288 1.00 22.68 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? -15.093 8.998 14.105 1.00 22.46 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? -14.519 8.431 15.397 1.00 21.86 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? -14.742 8.951 16.501 1.00 22.19 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? -14.043 9.836 13.376 1.00 22.48 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? -14.433 10.132 11.936 1.00 24.51 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? -15.389 9.568 11.411 1.00 28.52 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? -13.680 10.999 11.283 1.00 25.34 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? -13.812 7.323 15.239 1.00 20.93 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? -12.985 6.776 16.284 1.00 19.63 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? -11.952 7.818 16.665 1.00 19.56 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? -11.425 8.540 15.800 1.00 19.68 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? -12.324 5.483 15.786 1.00 19.18 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? -13.285 4.353 15.612 1.00 16.69 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? -12.886 3.036 15.569 1.00 16.51 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? -14.633 4.343 15.489 1.00 14.84 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? -13.946 2.260 15.427 1.00 15.49 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? -15.020 3.028 15.379 1.00 16.44 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? -11.681 7.913 17.962 1.00 18.98 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? -10.745 8.906 18.470 1.00 18.71 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? -9.859 8.322 19.561 1.00 18.69 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? -10.260 7.402 20.280 1.00 18.79 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? -11.515 10.162 18.991 1.00 18.32 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? -8.652 8.867 19.663 1.00 18.79 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? -7.742 8.604 20.772 1.00 18.77 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? -8.289 9.327 22.014 1.00 19.05 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? -8.721 10.492 21.935 1.00 18.07 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? -6.331 9.105 20.436 1.00 18.73 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? -5.344 8.856 21.572 1.00 18.21 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? -5.844 8.468 19.145 1.00 18.25 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? -8.332 8.592 23.129 1.00 19.34 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? -8.723 9.126 24.429 1.00 19.75 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? -7.602 8.931 25.434 1.00 20.78 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? -6.805 7.986 25.349 1.00 20.92 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? -10.024 8.497 25.016 1.00 19.52 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? -11.232 8.716 24.105 1.00 17.58 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? -9.821 7.036 25.357 1.00 19.98 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? -7.525 9.866 26.366 1.00 21.27 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? -6.587 9.779 27.442 1.00 21.92 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? -7.262 10.395 28.656 1.00 22.29 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? -8.328 11.006 28.535 1.00 22.43 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? -5.279 10.490 27.085 1.00 21.77 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? -5.369 11.882 27.303 1.00 23.45 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? -6.663 10.187 29.825 1.00 22.51 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? -6.997 10.953 31.005 1.00 22.65 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? -6.698 12.424 30.739 1.00 22.26 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? -5.657 12.762 30.167 1.00 22.10 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? -6.193 10.429 32.195 1.00 22.56 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? -7.060 9.744 33.234 1.00 23.37 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? -6.230 9.028 34.315 1.00 23.99 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? -5.271 9.881 35.019 1.00 22.32 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? -4.576 9.495 36.082 1.00 22.53 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? -4.711 8.267 36.578 1.00 20.76 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? -3.736 10.338 36.648 1.00 21.61 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? -7.604 13.292 31.154 0.50 22.63 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? -7.480 14.700 30.826 0.50 23.60 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? -6.154 15.320 31.255 0.50 23.86 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? -5.645 16.211 30.581 0.50 23.41 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? -8.652 15.473 31.401 0.50 23.60 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? -8.609 15.420 32.798 0.50 24.83 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? -5.589 14.831 32.358 1.00 25.01 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? -4.260 15.293 32.829 1.00 25.80 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? -3.062 14.846 31.952 1.00 26.34 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? -1.941 15.363 32.090 1.00 26.58 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? -4.034 14.981 34.330 1.00 25.97 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? -4.247 13.486 34.692 1.00 28.04 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? -5.305 12.905 34.362 1.00 29.99 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? -3.352 12.894 35.333 1.00 27.93 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? -3.309 13.926 31.020 1.00 26.49 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? -2.249 13.397 30.161 1.00 26.31 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? -2.424 13.831 28.714 1.00 25.77 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? -1.528 13.651 27.894 1.00 24.98 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? -2.203 11.858 30.266 1.00 26.83 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? -1.793 11.349 31.645 1.00 28.53 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? -0.314 11.642 31.933 1.00 32.70 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 0.570 10.851 31.068 1.00 35.88 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 1.801 11.209 30.701 1.00 37.44 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 2.333 12.366 31.107 1.00 38.50 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 2.495 10.415 29.899 1.00 37.47 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? -3.583 14.425 28.423 1.00 26.02 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? -4.018 14.733 27.057 1.00 25.91 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? -2.985 15.478 26.228 1.00 26.36 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? -2.681 15.078 25.104 1.00 26.71 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? -5.353 15.476 27.078 1.00 25.84 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? -2.428 16.545 26.789 1.00 26.99 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? -1.523 17.432 26.055 1.00 27.54 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? -0.271 16.696 25.664 1.00 27.78 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 0.285 16.877 24.578 1.00 27.47 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? -1.153 18.657 26.927 1.00 27.79 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 0.173 15.860 26.584 1.00 28.74 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 1.392 15.110 26.413 1.00 29.54 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 1.199 13.994 25.375 1.00 28.75 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 2.038 13.789 24.492 1.00 29.00 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 1.804 14.578 27.773 1.00 30.40 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 2.942 13.619 27.715 1.00 36.63 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 2.762 12.249 27.721 1.00 39.48 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 4.277 13.827 27.615 1.00 41.03 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 3.939 11.653 27.645 1.00 41.65 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 4.874 12.587 27.582 1.00 43.54 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 0.079 13.286 25.480 1.00 27.91 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? -0.308 12.254 24.513 1.00 27.41 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? -0.448 12.844 23.088 1.00 27.75 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 0.023 12.267 22.113 1.00 26.92 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? -1.622 11.529 24.971 1.00 27.05 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? -2.203 10.673 23.853 1.00 26.39 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? -1.366 10.688 26.220 1.00 25.11 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? -1.081 14.010 22.996 1.00 28.67 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? -1.259 14.712 21.736 1.00 29.52 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 0.073 15.016 21.052 1.00 29.80 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 0.254 14.677 19.882 1.00 29.32 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? -2.035 15.993 21.982 1.00 30.07 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? -2.497 16.703 20.752 1.00 32.90 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? -3.267 17.949 21.094 1.00 39.40 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? -4.132 17.905 22.009 1.00 41.34 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? -3.005 18.986 20.445 1.00 43.55 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 0.995 15.650 21.781 1.00 30.27 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 2.341 15.947 21.270 1.00 31.59 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 3.083 14.709 20.724 1.00 30.19 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 3.564 14.705 19.603 1.00 30.50 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 3.173 16.669 22.342 1.00 31.30 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 4.677 16.695 22.078 1.00 34.66 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 5.486 17.269 23.255 1.00 36.16 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 5.515 18.495 23.483 1.00 40.98 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 6.156 16.383 23.997 1.00 39.84 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 3.170 13.651 21.514 1.00 29.84 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 3.852 12.442 21.074 1.00 28.69 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 3.212 11.878 19.794 1.00 29.14 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 3.917 11.529 18.842 1.00 28.90 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 3.902 11.407 22.224 1.00 29.12 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 4.408 10.018 21.747 1.00 27.76 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 4.743 11.967 23.370 1.00 26.91 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 1.881 11.826 19.754 1.00 28.94 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 1.185 11.179 18.647 1.00 29.04 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 1.313 11.899 17.322 1.00 28.94 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 1.395 11.256 16.274 1.00 28.37 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? -0.285 10.968 18.974 1.00 29.25 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? -0.655 9.680 19.686 1.00 30.38 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? -2.165 9.711 19.858 1.00 32.40 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? -0.207 8.428 18.915 1.00 31.68 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 1.310 13.228 17.374 1.00 29.05 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 1.546 14.061 16.192 1.00 29.57 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 2.923 13.807 15.587 1.00 30.28 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 3.058 13.715 14.363 1.00 30.91 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 1.382 15.541 16.537 1.00 29.29 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? -0.062 15.954 16.784 1.00 28.58 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? -0.132 17.415 17.135 1.00 29.15 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? -0.892 15.653 15.551 1.00 29.00 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 3.928 13.671 16.451 1.00 30.99 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 5.292 13.323 16.042 1.00 32.06 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 5.379 11.880 15.551 1.00 31.68 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 6.056 11.594 14.555 1.00 32.26 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 6.252 13.599 17.199 1.00 32.85 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 7.638 13.069 17.001 1.00 36.87 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 8.482 13.525 16.004 1.00 39.80 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 8.347 12.150 17.705 1.00 38.58 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 9.642 12.894 16.092 1.00 39.50 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 9.586 12.056 17.114 1.00 39.18 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 4.671 10.976 16.224 1.00 30.82 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 4.602 9.573 15.793 1.00 30.42 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 4.022 9.374 14.378 1.00 30.78 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 4.430 8.463 13.654 1.00 30.12 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 3.821 8.727 16.810 1.00 29.98 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 4.616 8.362 18.038 1.00 29.03 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 5.932 7.680 17.700 1.00 28.37 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 5.963 6.593 17.111 1.00 27.37 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 7.028 8.326 18.057 1.00 28.21 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 3.061 10.210 13.994 1.00 31.16 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 2.446 10.069 12.686 1.00 31.98 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 3.241 10.781 11.587 1.00 32.56 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 3.176 10.399 10.415 1.00 33.05 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 0.970 10.476 12.700 1.00 31.59 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 0.694 11.955 12.679 1.00 32.13 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? -0.768 12.234 12.432 1.00 31.68 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? -1.477 11.392 11.881 1.00 33.61 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? -1.237 13.406 12.848 1.00 30.72 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 3.998 11.810 11.962 1.00 32.66 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 4.991 12.366 11.056 1.00 32.56 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 5.960 11.259 10.570 1.00 32.66 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 6.417 11.279 9.421 1.00 33.20 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 5.748 13.504 11.736 1.00 32.25 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 6.249 10.293 11.444 1.00 32.47 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 7.187 9.213 11.159 1.00 32.34 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 6.526 7.987 10.527 1.00 32.76 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 7.076 7.413 9.596 1.00 33.29 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 7.919 8.766 12.431 1.00 32.28 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 8.740 9.679 13.353 1.00 32.31 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 9.528 8.798 14.311 1.00 30.56 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 9.684 10.621 12.599 1.00 31.40 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 5.367 7.575 11.041 1.00 32.95 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 4.749 6.304 10.631 1.00 33.28 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 3.356 6.428 10.019 1.00 33.85 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 2.748 5.420 9.684 1.00 33.64 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 4.718 5.289 11.786 1.00 32.99 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 6.030 5.137 12.508 1.00 32.59 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 7.093 4.440 11.927 1.00 32.52 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 6.198 5.678 13.785 1.00 32.20 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 8.320 4.291 12.609 1.00 31.74 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 7.408 5.543 14.472 1.00 31.83 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 8.473 4.850 13.885 1.00 32.34 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 2.869 7.651 9.848 1.00 35.13 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 1.586 7.891 9.189 1.00 37.80 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 1.647 7.723 7.676 1.00 39.61 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 2.612 7.158 7.147 1.00 39.43 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 0.628 8.237 6.981 1.00 41.73 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 0.441 7.979 5.544 1.00 43.79 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 1.624 8.372 4.656 1.00 45.02 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 2.001 7.619 3.746 1.00 45.44 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? -0.845 8.609 5.021 1.00 44.05 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? -1.338 7.962 3.727 1.00 45.37 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? -2.446 8.785 3.082 1.00 47.57 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? -3.131 8.026 1.945 1.00 48.36 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? -2.509 8.280 0.612 1.00 47.82 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 2.212 9.538 4.903 1.00 46.42 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 3.435 9.905 4.170 1.00 48.00 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 4.631 10.017 5.096 1.00 48.20 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 5.578 10.763 4.831 1.00 48.94 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 3.245 11.205 3.374 1.00 48.72 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 2.067 11.138 2.418 1.00 50.12 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 1.906 10.163 1.675 1.00 51.14 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 1.230 12.173 2.438 1.00 51.53 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 4.582 9.269 6.189 1.00 48.12 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 5.620 9.323 7.187 1.00 47.73 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 6.980 9.032 6.605 1.00 47.79 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 7.118 8.251 5.657 1.00 47.60 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 7.978 9.694 7.182 1.00 47.89 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 9.386 9.440 6.924 1.00 47.48 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 9.665 7.951 6.802 1.00 46.89 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 10.457 7.533 5.958 1.00 46.81 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 10.219 10.001 8.088 1.00 48.30 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 10.799 11.417 7.923 1.00 49.22 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 9.755 12.492 7.623 1.00 51.75 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 10.441 13.846 7.344 1.00 52.55 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 9.501 14.927 6.882 1.00 52.95 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 9.007 7.153 7.643 1.00 46.07 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 9.400 5.760 7.827 1.00 45.37 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 8.362 4.737 7.470 1.00 44.93 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 8.596 3.535 7.626 1.00 44.34 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 9.838 5.535 9.261 1.00 45.46 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 11.131 6.241 9.581 1.00 46.30 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 11.961 6.483 8.692 1.00 47.72 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 11.317 6.578 10.850 1.00 46.41 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 7.224 5.208 6.978 1.00 44.55 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 6.071 4.344 6.904 1.00 45.54 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 6.321 3.214 5.939 1.00 47.19 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 6.596 2.088 6.400 1.00 48.77 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 4.765 5.090 6.632 1.00 44.73 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 3.372 4.147 5.898 1.00 41.73 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 6.269 3.481 4.615 1.00 47.53 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 6.192 2.281 3.772 1.00 47.48 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 7.365 1.355 4.085 1.00 47.78 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 7.209 0.140 4.078 1.00 47.89 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 6.272 2.841 2.350 1.00 47.90 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 5.822 4.285 2.481 1.00 47.93 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 6.289 4.735 3.836 1.00 47.31 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 8.495 1.965 4.457 1.00 47.99 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 9.817 1.335 4.540 1.00 47.92 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 10.020 0.495 5.803 1.00 47.19 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 10.361 -0.696 5.726 1.00 47.12 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 10.890 2.433 4.455 1.00 48.57 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 10.490 3.573 3.496 1.00 50.76 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 10.465 3.304 2.264 1.00 51.49 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 10.184 4.715 3.971 1.00 50.32 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 9.820 1.116 6.963 1.00 45.86 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 10.050 0.430 8.222 1.00 44.66 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 8.741 0.030 8.903 1.00 43.23 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 8.519 -1.153 9.164 1.00 43.43 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 10.961 1.250 9.137 1.00 45.17 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 12.312 1.579 8.490 1.00 47.19 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 13.375 1.950 9.519 1.00 50.97 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 14.175 0.723 9.991 1.00 53.15 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 15.141 0.217 8.947 1.00 53.37 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 7.862 0.997 9.153 1.00 41.22 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 6.608 0.716 9.851 1.00 38.98 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 5.519 1.719 9.474 1.00 38.16 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 5.766 2.924 9.395 1.00 37.79 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 6.850 0.679 11.380 1.00 38.20 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 5.603 0.439 12.206 1.00 36.73 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 5.016 -0.829 12.270 1.00 35.53 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 5.030 1.475 12.938 1.00 33.44 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 3.856 -1.055 13.029 1.00 34.04 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 3.885 1.259 13.684 1.00 33.22 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 3.293 -0.014 13.732 1.00 34.03 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 4.312 1.207 9.240 1.00 37.18 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 3.145 2.049 9.003 1.00 36.01 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 2.130 1.847 10.119 1.00 35.25 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 1.600 0.757 10.290 1.00 35.09 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 2.530 1.759 7.627 1.00 36.27 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 3.637 2.166 6.227 1.00 36.82 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 1.900 2.905 10.891 1.00 34.21 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 0.876 2.936 11.931 1.00 33.40 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? -0.516 2.497 11.482 1.00 33.16 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? -1.231 1.853 12.241 1.00 32.59 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 0.755 4.344 12.520 1.00 32.69 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 1.173 4.561 13.974 1.00 32.37 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 0.825 5.970 14.395 1.00 31.26 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 0.547 3.552 14.928 1.00 30.44 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? -0.902 2.870 10.261 1.00 33.39 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? -2.276 2.718 9.823 1.00 33.40 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? -2.490 1.548 8.860 1.00 34.45 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? -3.481 1.518 8.145 1.00 35.14 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? -2.797 4.031 9.238 1.00 33.18 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? -2.651 5.230 10.172 1.00 32.22 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? -3.026 5.145 11.514 1.00 30.05 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? -2.146 6.442 9.693 1.00 31.22 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? -2.887 6.234 12.370 1.00 29.66 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? -2.005 7.546 10.538 1.00 31.61 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? -2.373 7.440 11.882 1.00 31.76 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? -1.563 0.593 8.853 1.00 35.31 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? -1.731 -0.658 8.119 1.00 36.69 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? -1.720 -1.859 9.051 1.00 36.85 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? -1.028 -1.866 10.080 1.00 36.85 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? -0.627 -0.851 7.066 1.00 37.13 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? -0.708 0.079 5.872 1.00 39.60 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? -2.077 0.015 5.198 1.00 44.48 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? -2.273 1.215 4.256 1.00 48.06 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? -2.114 2.544 4.951 1.00 49.10 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? -2.498 -2.867 8.667 1.00 37.33 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? -2.537 -4.177 9.324 1.00 37.93 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? -3.348 -5.167 8.471 1.00 38.63 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? -4.242 -5.839 8.985 1.00 39.24 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? -3.138 -4.078 10.737 1.00 37.60 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? -4.392 -3.421 10.745 1.00 36.05 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? -3.061 -5.234 7.171 0.50 38.84 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? -3.752 -6.169 6.264 0.50 39.39 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? -5.245 -6.381 6.604 0.50 39.07 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? -5.655 -7.486 6.966 0.50 38.75 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? -3.030 -7.526 6.245 0.50 39.35 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? -1.511 -7.471 6.084 0.50 39.91 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? -0.832 -8.749 6.571 0.50 40.56 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 0.182 -9.155 5.960 0.50 42.16 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? -1.314 -9.354 7.560 0.50 41.65 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? -6.032 -5.305 6.517 1.00 39.29 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? -7.520 -5.322 6.658 1.00 38.95 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? -8.090 -5.557 8.084 1.00 37.81 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? -9.316 -5.590 8.284 1.00 37.91 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? -8.197 -6.277 5.613 1.00 39.29 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? -9.468 -5.741 5.222 1.00 41.23 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? -8.379 -7.707 6.166 1.00 39.25 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? -7.197 -5.683 9.063 1.00 36.13 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? -7.552 -6.134 10.399 1.00 34.13 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? -7.937 -5.000 11.349 1.00 32.48 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? -8.493 -5.253 12.423 1.00 32.87 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? -6.399 -6.942 10.983 1.00 34.78 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? -6.091 -8.235 10.254 1.00 36.71 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? -4.580 -8.479 10.216 1.00 41.49 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? -4.246 -9.966 10.100 1.00 44.22 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? -4.616 -10.710 11.352 1.00 45.27 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? -7.676 -3.758 10.939 1.00 30.05 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? -7.978 -2.560 11.748 1.00 27.62 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? -7.428 -2.625 13.182 1.00 25.77 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? -8.169 -2.416 14.150 1.00 25.00 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? -9.486 -2.249 11.774 1.00 28.11 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? -10.099 -2.066 10.375 1.00 27.89 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? -11.159 -2.621 10.090 1.00 29.48 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? -9.464 -1.269 9.532 1.00 26.68 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? -6.130 -2.909 13.297 1.00 23.34 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? -5.471 -3.114 14.593 1.00 22.02 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? -4.980 -1.766 15.097 1.00 21.09 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? -4.268 -1.079 14.388 1.00 21.06 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? -4.314 -4.134 14.482 1.00 20.90 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? -4.711 -5.544 14.006 1.00 21.30 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? -3.533 -6.450 13.840 1.00 19.51 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? -5.756 -6.220 14.923 1.00 21.02 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? -5.393 -1.396 16.305 1.00 20.79 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? -5.107 -0.081 16.937 1.00 20.71 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? -5.808 1.106 16.266 1.00 20.85 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? -6.380 1.960 16.948 1.00 21.81 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? -3.592 0.176 17.034 1.00 20.49 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? -2.675 -0.895 17.637 1.00 19.87 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? -1.233 -0.382 17.637 1.00 20.26 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? -3.106 -1.258 19.036 1.00 19.67 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? -5.728 1.172 14.937 1.00 20.40 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? -6.418 2.178 14.130 1.00 20.42 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? -7.075 1.476 12.959 1.00 20.12 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? -6.621 0.400 12.549 1.00 20.09 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? -5.438 3.237 13.616 1.00 19.82 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? -4.709 3.938 14.708 1.00 21.48 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? -5.277 5.038 15.340 1.00 22.51 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? -3.466 3.486 15.135 1.00 21.56 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? -4.620 5.674 16.356 1.00 21.57 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? -2.814 4.108 16.162 1.00 19.66 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? -3.385 5.198 16.775 1.00 21.33 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? -8.125 2.089 12.423 1.00 20.08 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? -8.712 1.657 11.162 1.00 20.70 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? -7.692 1.802 10.054 1.00 21.91 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? -6.967 2.798 9.990 1.00 21.91 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? -9.983 2.440 10.832 1.00 19.82 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? -11.155 2.013 11.687 1.00 19.47 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? -11.384 0.819 11.880 1.00 18.32 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? -11.877 2.982 12.248 1.00 17.91 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? -7.624 0.785 9.198 1.00 23.42 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? -6.719 0.789 8.051 1.00 24.99 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? -6.917 1.942 7.069 1.00 25.67 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? -5.978 2.311 6.367 1.00 26.02 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? -6.798 -0.543 7.323 1.00 25.44 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? -6.190 -1.676 8.121 1.00 27.01 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? -5.559 -1.432 9.164 1.00 28.14 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? -6.343 -2.827 7.696 1.00 32.92 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? -8.119 2.514 7.019 1.00 26.82 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? -8.371 3.660 6.122 1.00 28.32 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? -8.029 5.046 6.708 1.00 29.26 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? -8.353 6.068 6.095 1.00 30.02 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? -9.811 3.643 5.573 1.00 28.24 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? -10.869 3.801 6.666 1.00 27.87 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? -10.563 3.937 7.849 1.00 29.23 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? -12.115 3.777 6.266 1.00 28.40 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? -7.388 5.085 7.880 1.00 29.57 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? -7.003 6.359 8.483 1.00 29.51 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? -5.900 7.024 7.653 1.00 30.47 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? -4.825 6.467 7.441 1.00 30.45 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? -6.539 6.205 9.955 1.00 28.96 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? -7.511 5.469 10.706 1.00 27.88 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? -6.362 7.556 10.593 1.00 27.94 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? -6.182 8.228 7.191 1.00 31.56 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? -5.201 9.032 6.497 1.00 33.30 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? -4.317 9.687 7.552 1.00 32.68 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? -3.094 9.744 7.408 1.00 32.56 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? -5.926 10.083 5.648 1.00 33.44 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? -5.061 10.843 4.641 1.00 36.45 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? -5.654 12.212 4.231 1.00 37.30 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? -6.900 12.332 4.036 1.00 41.34 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? -4.854 13.175 4.099 1.00 43.52 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? -4.938 10.174 8.626 1.00 32.47 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? -4.196 10.820 9.714 1.00 32.15 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? -5.070 10.955 10.939 1.00 30.89 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? -6.283 10.784 10.859 1.00 30.44 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? -3.708 12.226 9.297 1.00 32.65 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? -4.987 13.509 9.412 1.00 35.48 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? -4.436 11.309 12.054 1.00 30.02 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? -5.131 11.738 13.258 1.00 29.23 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? -5.250 13.271 13.289 1.00 29.48 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? -4.250 13.993 13.197 1.00 29.50 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? -4.422 11.207 14.500 1.00 28.75 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? -4.211 9.689 14.598 1.00 27.91 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? -3.230 9.344 15.728 1.00 26.70 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? -5.532 8.961 14.783 1.00 24.47 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? -6.482 13.757 13.407 1.00 29.36 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? -6.777 15.180 13.296 1.00 29.61 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? -6.881 15.849 14.663 1.00 29.90 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? -7.428 15.270 15.597 1.00 30.02 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? -8.075 15.383 12.500 1.00 28.88 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? -6.349 17.064 14.779 1.00 30.38 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? -6.575 17.905 15.966 1.00 31.20 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? -8.063 18.189 16.059 1.00 31.40 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? -8.745 18.246 15.047 1.00 31.14 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? -5.808 19.234 15.882 1.00 30.53 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? -4.292 19.113 15.838 1.00 31.31 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? -3.643 20.501 15.850 1.00 32.30 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? -2.130 20.429 15.665 1.00 35.14 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? -1.452 21.569 16.384 1.00 36.49 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? -8.573 18.375 17.267 1.00 32.47 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? -10.012 18.533 17.416 1.00 33.39 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? -10.457 19.978 17.300 1.00 34.43 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? -11.215 20.320 16.397 1.00 34.97 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? -10.556 17.792 18.653 1.00 33.07 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? -10.477 16.270 18.442 1.00 32.62 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? -10.742 15.507 19.696 1.00 32.39 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? -11.432 15.821 17.335 1.00 33.80 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? -9.982 20.853 18.167 1.00 35.65 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? -10.296 22.276 17.947 1.00 36.78 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? -11.743 22.589 18.265 1.00 36.89 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? -12.677 22.036 17.652 1.00 37.18 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? -11.912 23.493 19.226 1.00 36.44 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? -13.180 23.707 19.909 1.00 35.67 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? -13.030 23.016 21.244 1.00 35.10 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? -13.984 22.907 22.002 1.00 35.17 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? -11.798 22.569 21.505 1.00 34.73 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? -11.432 21.687 22.617 1.00 34.04 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? -12.625 20.962 23.228 1.00 32.25 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? -12.988 21.210 24.376 1.00 32.15 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? -10.606 22.436 23.657 1.00 34.87 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? -9.206 22.699 23.175 1.00 39.07 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? -8.279 23.174 24.284 1.00 46.38 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? -7.055 23.745 23.714 1.00 52.48 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? -5.902 23.090 23.595 1.00 56.30 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? -5.793 21.835 24.025 1.00 58.02 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? -4.846 23.691 23.049 1.00 58.29 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? -13.224 20.038 22.453 1.00 30.59 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? -14.520 19.494 22.804 1.00 29.14 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? -14.484 18.516 23.970 1.00 28.29 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? -13.533 17.749 24.119 1.00 27.98 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? -14.939 18.757 21.520 1.00 29.26 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? -13.684 18.361 20.877 1.00 28.77 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? -12.693 19.437 21.210 1.00 29.99 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? -15.533 18.529 24.780 1.00 27.28 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? -15.729 17.470 25.747 1.00 26.46 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? -16.135 16.206 24.947 1.00 26.83 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? -16.290 16.266 23.709 1.00 26.33 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? -16.791 17.855 26.801 1.00 26.30 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? -18.049 18.065 26.156 1.00 26.07 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? -16.390 19.132 27.533 1.00 24.11 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? -16.282 15.071 25.628 1.00 26.12 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? -16.650 13.852 24.939 1.00 26.49 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? -18.112 13.971 24.440 1.00 26.41 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? -18.484 13.364 23.435 1.00 25.48 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? -16.445 12.617 25.842 1.00 26.61 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? -17.551 12.418 26.838 1.00 26.32 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? -18.596 11.547 26.579 1.00 27.96 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? -17.578 13.145 28.031 1.00 27.77 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? -19.643 11.390 27.502 1.00 29.09 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? -18.609 12.997 28.958 1.00 26.18 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? -19.625 12.119 28.690 1.00 27.85 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? -20.647 11.977 29.598 1.00 29.07 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? -18.918 14.762 25.149 1.00 26.54 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? -20.335 14.946 24.821 1.00 27.12 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? -20.531 15.799 23.590 1.00 26.54 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? -21.419 15.523 22.772 1.00 26.76 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? -21.072 15.589 25.973 1.00 27.65 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? -21.789 14.607 26.851 1.00 31.99 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? -22.379 15.276 28.085 1.00 39.09 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? -22.375 16.536 28.155 1.00 41.22 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? -22.841 14.540 28.989 1.00 41.76 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? -19.706 16.833 23.473 1.00 25.84 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? -19.648 17.644 22.262 1.00 25.78 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? -18.983 16.915 21.111 1.00 25.75 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? -19.305 17.186 19.960 1.00 26.21 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? -18.868 18.931 22.470 1.00 25.01 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? -19.356 19.852 23.540 1.00 25.44 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? -18.330 20.930 23.792 1.00 27.42 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? -17.170 20.612 24.135 1.00 26.73 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? -18.672 22.108 23.633 1.00 29.02 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? -18.005 16.056 21.408 1.00 25.35 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? -17.395 15.251 20.371 1.00 24.40 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? -18.420 14.245 19.809 1.00 24.73 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? -18.572 14.126 18.610 1.00 24.20 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? -16.096 14.543 20.828 1.00 23.74 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? -15.511 13.739 19.699 1.00 21.73 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? -14.747 14.350 18.716 1.00 22.64 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? -15.803 12.389 19.561 1.00 19.21 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? -14.248 13.620 17.633 1.00 20.61 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? -15.340 11.672 18.499 1.00 18.62 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? -14.565 12.285 17.543 1.00 20.75 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? -14.098 11.556 16.499 1.00 22.02 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? -19.109 13.519 20.671 1.00 25.42 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? -20.112 12.570 20.201 1.00 27.01 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? -21.356 13.256 19.566 1.00 28.26 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? -21.960 12.719 18.624 1.00 27.48 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? -20.506 11.600 21.328 1.00 26.27 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? -19.374 10.706 21.866 1.00 26.54 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? -19.881 9.816 22.995 1.00 24.82 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? -18.661 9.875 20.760 1.00 24.62 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? -21.701 14.439 20.086 1.00 29.68 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? -22.877 15.194 19.659 1.00 31.94 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? -24.095 14.798 20.478 1.00 33.65 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? -24.226 13.633 20.873 1.00 33.92 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? -24.994 15.756 20.714 1.00 35.37 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? -26.198 15.553 21.552 1.00 37.46 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? -27.123 14.467 20.986 1.00 38.17 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? -27.680 13.652 21.727 1.00 38.63 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? -27.028 16.874 21.721 1.00 37.73 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? -26.162 18.015 21.656 1.00 39.29 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? -27.766 16.882 23.060 1.00 37.97 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? -27.280 14.495 19.666 1.00 39.13 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? -27.961 13.473 18.881 1.00 40.65 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? -27.517 12.060 19.278 1.00 39.41 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? -28.337 11.231 19.674 1.00 39.93 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? -27.636 13.747 17.411 1.00 40.66 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? -28.410 12.967 16.371 1.00 43.45 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? -28.081 13.454 14.955 1.00 44.60 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? -29.011 13.490 14.103 1.00 50.51 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? -26.900 13.821 14.701 1.00 48.15 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? -26.214 11.803 19.210 1.00 38.29 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? -25.688 10.483 19.559 1.00 37.14 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? -25.733 10.145 21.067 1.00 37.14 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? -26.084 9.024 21.440 1.00 36.29 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? -24.291 10.279 18.949 1.00 36.09 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? -23.746 8.883 19.136 1.00 34.51 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? -24.534 7.760 18.887 1.00 32.15 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? -22.438 8.688 19.554 1.00 33.54 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? -24.042 6.493 19.073 1.00 33.08 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? -21.930 7.419 19.737 1.00 33.53 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? -22.728 6.323 19.497 1.00 33.69 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? -22.201 5.063 19.691 1.00 33.15 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? -25.406 11.116 21.923 1.00 37.80 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? -25.413 10.912 23.383 1.00 38.34 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? -26.806 10.539 23.911 1.00 39.19 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? -26.938 9.668 24.788 1.00 39.72 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? -24.833 12.151 24.163 1.00 38.64 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? -25.046 12.010 25.659 1.00 37.92 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? -23.344 12.341 23.871 1.00 37.30 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? -27.846 11.184 23.380 1.00 39.88 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? -29.210 10.882 23.829 1.00 40.60 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? -29.655 9.498 23.364 1.00 40.41 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? -30.310 8.768 24.116 1.00 40.73 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? -30.245 11.977 23.441 1.00 40.70 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? -30.134 12.277 22.043 1.00 42.45 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? -30.000 13.236 24.237 1.00 40.47 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? -29.277 9.129 22.140 1.00 40.19 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? -29.499 7.764 21.652 1.00 39.97 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? -28.952 6.704 22.633 1.00 39.96 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? -29.704 5.839 23.082 1.00 39.76 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? -28.925 7.590 20.250 1.00 39.71 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? -27.667 6.806 22.988 1.00 40.17 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? -27.020 5.878 23.929 1.00 40.39 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? -27.652 5.884 25.310 1.00 41.28 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? -27.853 4.815 25.905 1.00 41.42 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? -25.520 6.165 24.115 1.00 40.08 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? -24.780 6.076 22.788 1.00 39.83 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? -24.905 5.178 25.105 1.00 39.41 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? -23.466 6.843 22.793 1.00 40.34 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? -27.928 7.082 25.835 1.00 42.11 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? -28.611 7.225 27.121 1.00 42.72 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? -29.924 6.433 27.130 1.00 43.04 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? -30.134 5.575 27.996 1.00 43.39 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? -28.861 8.700 27.435 1.00 43.12 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? -30.779 6.704 26.145 1.00 43.42 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -32.032 5.970 25.955 1.00 44.28 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -31.877 4.448 25.884 1.00 44.17 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -32.652 3.723 26.504 1.00 44.27 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -32.796 6.502 24.729 1.00 44.64 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -33.654 7.739 25.059 1.00 46.94 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -34.478 7.714 25.982 1.00 48.90 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -33.466 8.815 24.299 1.00 48.15 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? -30.873 3.975 25.142 1.00 44.26 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? -30.587 2.540 25.037 1.00 44.20 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? -30.072 1.938 26.349 1.00 44.71 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? -30.449 0.817 26.699 1.00 44.08 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? -29.608 2.255 23.889 1.00 44.00 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? -29.123 0.821 23.627 1.00 43.85 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? -30.277 -0.098 23.271 1.00 42.61 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? -28.062 0.802 22.539 1.00 43.35 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? -29.220 2.682 27.059 1.00 45.80 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? -28.613 2.212 28.316 1.00 47.11 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? -29.655 2.067 29.423 1.00 47.60 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? -29.455 1.314 30.375 1.00 47.79 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? -27.481 3.137 28.781 1.00 47.47 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? -26.239 3.173 27.895 1.00 48.27 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? -25.317 1.997 28.124 1.00 49.42 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? -23.919 2.303 27.593 1.00 50.05 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? -23.052 1.081 27.583 1.00 49.46 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? -30.766 2.783 29.278 1.00 48.21 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -31.960 2.581 30.102 1.00 49.09 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -32.441 1.126 30.142 1.00 49.27 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -33.019 0.690 31.143 1.00 49.40 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -33.096 3.477 29.603 1.00 49.49 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -32.882 4.952 29.900 1.00 51.16 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -33.932 5.484 30.861 1.00 53.99 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -35.039 6.232 30.109 1.00 54.45 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -34.506 7.495 29.510 1.00 54.82 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -32.204 0.381 29.064 1.00 49.46 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -32.625 -1.014 28.983 1.00 49.83 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -31.744 -1.992 29.758 1.00 50.62 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -32.220 -3.063 30.157 1.00 50.86 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -32.719 -1.464 27.528 1.00 49.50 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -34.101 -0.761 26.631 1.00 48.51 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? -30.473 -1.636 29.956 1.00 51.41 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? -29.488 -2.543 30.573 1.00 52.11 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? -29.288 -2.301 32.064 1.00 52.30 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? -30.132 -2.678 32.878 1.00 52.85 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? -28.139 -2.480 29.845 1.00 52.30 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? -28.045 -3.497 28.857 1.00 52.54 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? -29.435 8.461 36.460 1.00 74.95 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? -29.085 7.894 35.156 1.00 75.01 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? -27.697 8.372 34.646 1.00 74.54 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? -27.514 8.645 33.445 1.00 74.84 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? -30.212 8.161 34.130 1.00 75.18 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? -30.353 7.245 32.893 1.00 75.79 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? -30.952 5.869 33.237 1.00 76.09 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? -31.171 7.927 31.788 1.00 75.35 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? -26.727 8.459 35.566 1.00 73.52 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? -25.352 8.897 35.249 1.00 72.37 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? -24.313 8.387 36.266 1.00 70.89 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? -24.544 8.446 37.486 1.00 71.04 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? -25.267 10.433 35.142 1.00 72.41 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? -25.483 11.183 36.470 1.00 73.15 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? -24.847 12.565 36.484 1.00 73.43 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? -23.786 12.728 37.131 1.00 74.40 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? -25.404 13.485 35.842 1.00 75.15 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? -23.184 7.887 35.749 1.00 68.78 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? -22.012 7.482 36.555 1.00 66.37 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? -20.924 6.836 35.690 1.00 64.66 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? -21.193 6.358 34.576 1.00 64.24 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? -22.417 6.520 37.706 1.00 66.59 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? -19.695 6.827 36.208 1.00 61.57 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? -18.650 5.961 35.669 1.00 60.85 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? -18.938 4.506 36.095 1.00 60.97 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? -19.292 4.240 37.253 1.00 60.88 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? -17.259 6.435 36.114 1.00 59.44 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? -15.881 5.326 35.714 1.00 56.30 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? -18.797 3.584 35.139 1.00 61.16 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? -19.190 2.180 35.302 1.00 61.16 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? -18.290 1.369 36.233 1.00 61.14 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? -18.676 0.278 36.663 1.00 61.32 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? -19.295 1.490 33.929 1.00 61.27 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? -17.106 1.898 36.549 1.00 61.10 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? -16.113 1.166 37.354 1.00 61.14 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? -15.823 1.840 38.701 1.00 61.30 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? -15.583 3.052 38.776 1.00 61.55 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? -14.810 0.936 36.561 1.00 60.91 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? -15.033 0.576 35.108 1.00 60.47 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? -15.387 -0.721 34.740 1.00 59.96 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? -14.902 1.543 34.107 1.00 59.56 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? -15.601 -1.040 33.402 1.00 59.70 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? -15.114 1.229 32.771 1.00 58.88 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? -15.460 -0.056 32.415 1.00 59.52 ? 686 PHE A CZ 1 HETATM 2605 C C1 . NAG B 2 . ? -35.116 6.430 20.446 1.00 46.26 ? 1 NAG A C1 1 HETATM 2606 C C2 . NAG B 2 . ? -33.914 7.236 19.909 1.00 47.29 ? 1 NAG A C2 1 HETATM 2607 C C3 . NAG B 2 . ? -33.580 8.464 20.793 1.00 48.39 ? 1 NAG A C3 1 HETATM 2608 C C4 . NAG B 2 . ? -34.838 9.191 21.241 1.00 52.31 ? 1 NAG A C4 1 HETATM 2609 C C5 . NAG B 2 . ? -35.656 8.133 21.953 1.00 51.68 ? 1 NAG A C5 1 HETATM 2610 C C6 . NAG B 2 . ? -36.811 8.733 22.737 1.00 53.36 ? 1 NAG A C6 1 HETATM 2611 C C7 . NAG B 2 . ? -32.249 6.332 18.476 1.00 42.84 ? 1 NAG A C7 1 HETATM 2612 C C8 . NAG B 2 . ? -30.976 5.582 18.174 1.00 40.07 ? 1 NAG A C8 1 HETATM 2613 N N2 . NAG B 2 . ? -32.732 6.385 19.702 1.00 42.14 ? 1 NAG A N2 1 HETATM 2614 O O3 . NAG B 2 . ? -32.772 9.382 20.083 1.00 48.17 ? 1 NAG A O3 1 HETATM 2615 O O4 . NAG B 2 . ? -34.526 10.274 22.112 1.00 58.90 ? 1 NAG A O4 1 HETATM 2616 O O5 . NAG B 2 . ? -36.131 7.275 20.940 1.00 48.92 ? 1 NAG A O5 1 HETATM 2617 O O6 . NAG B 2 . ? -37.411 9.728 21.925 1.00 54.32 ? 1 NAG A O6 1 HETATM 2618 O O7 . NAG B 2 . ? -32.860 6.899 17.576 1.00 44.24 ? 1 NAG A O7 1 HETATM 2619 C C1 . NAG C 2 . ? -35.247 11.367 21.501 1.00 63.83 ? 2 NAG A C1 1 HETATM 2620 C C2 . NAG C 2 . ? -35.085 12.329 22.693 1.00 65.43 ? 2 NAG A C2 1 HETATM 2621 C C3 . NAG C 2 . ? -35.267 13.790 22.370 1.00 67.15 ? 2 NAG A C3 1 HETATM 2622 C C4 . NAG C 2 . ? -34.603 14.236 21.087 1.00 68.61 ? 2 NAG A C4 1 HETATM 2623 C C5 . NAG C 2 . ? -34.773 13.277 19.907 1.00 67.39 ? 2 NAG A C5 1 HETATM 2624 C C6 . NAG C 2 . ? -33.614 13.468 18.924 1.00 66.40 ? 2 NAG A C6 1 HETATM 2625 C C7 . NAG C 2 . ? -35.749 11.729 24.963 1.00 67.46 ? 2 NAG A C7 1 HETATM 2626 C C8 . NAG C 2 . ? -36.877 11.306 25.863 1.00 67.14 ? 2 NAG A C8 1 HETATM 2627 N N2 . NAG C 2 . ? -36.081 12.099 23.722 1.00 65.59 ? 2 NAG A N2 1 HETATM 2628 O O3 . NAG C 2 . ? -34.667 14.504 23.425 1.00 68.67 ? 2 NAG A O3 1 HETATM 2629 O O4 . NAG C 2 . ? -35.170 15.499 20.791 1.00 72.35 ? 2 NAG A O4 1 HETATM 2630 O O5 . NAG C 2 . ? -34.857 11.877 20.222 1.00 66.61 ? 2 NAG A O5 1 HETATM 2631 O O6 . NAG C 2 . ? -32.389 13.628 19.611 1.00 65.96 ? 2 NAG A O6 1 HETATM 2632 O O7 . NAG C 2 . ? -34.589 11.707 25.396 1.00 67.99 ? 2 NAG A O7 1 HETATM 2633 C C1 . BMA D 3 . ? -34.263 16.615 20.717 1.00 74.70 ? 3 BMA A C1 1 HETATM 2634 C C2 . BMA D 3 . ? -34.644 17.555 19.568 1.00 75.32 ? 3 BMA A C2 1 HETATM 2635 C C3 . BMA D 3 . ? -33.773 18.800 19.599 1.00 76.32 ? 3 BMA A C3 1 HETATM 2636 C C4 . BMA D 3 . ? -34.031 19.444 20.947 1.00 76.00 ? 3 BMA A C4 1 HETATM 2637 C C5 . BMA D 3 . ? -33.406 18.554 22.022 1.00 76.03 ? 3 BMA A C5 1 HETATM 2638 C C6 . BMA D 3 . ? -33.700 19.072 23.424 1.00 75.54 ? 3 BMA A C6 1 HETATM 2639 O O2 . BMA D 3 . ? -36.006 17.918 19.676 1.00 75.77 ? 3 BMA A O2 1 HETATM 2640 O O3 . BMA D 3 . ? -34.047 19.689 18.527 1.00 76.12 ? 3 BMA A O3 1 HETATM 2641 O O4 . BMA D 3 . ? -33.485 20.738 20.946 1.00 75.42 ? 3 BMA A O4 1 HETATM 2642 O O5 . BMA D 3 . ? -33.895 17.217 21.965 1.00 75.74 ? 3 BMA A O5 1 HETATM 2643 O O6 . BMA D 3 . ? -34.522 18.122 24.067 1.00 76.08 ? 3 BMA A O6 1 HETATM 2644 C C1 . NAG E 2 . ? 11.752 9.938 20.764 1.00 58.64 ? 687 NAG A C1 1 HETATM 2645 C C2 . NAG E 2 . ? 12.000 10.158 19.273 1.00 63.34 ? 687 NAG A C2 1 HETATM 2646 C C3 . NAG E 2 . ? 13.122 11.176 19.072 1.00 66.47 ? 687 NAG A C3 1 HETATM 2647 C C4 . NAG E 2 . ? 12.903 12.469 19.882 1.00 68.88 ? 687 NAG A C4 1 HETATM 2648 C C5 . NAG E 2 . ? 12.452 12.157 21.322 1.00 66.39 ? 687 NAG A C5 1 HETATM 2649 C C6 . NAG E 2 . ? 11.940 13.402 22.050 1.00 66.74 ? 687 NAG A C6 1 HETATM 2650 C C7 . NAG E 2 . ? 11.531 8.331 17.695 1.00 61.66 ? 687 NAG A C7 1 HETATM 2651 C C8 . NAG E 2 . ? 12.213 7.403 16.724 1.00 61.33 ? 687 NAG A C8 1 HETATM 2652 N N2 . NAG E 2 . ? 12.333 8.908 18.599 1.00 62.48 ? 687 NAG A N2 1 HETATM 2653 O O3 . NAG E 2 . ? 13.205 11.474 17.692 1.00 67.93 ? 687 NAG A O3 1 HETATM 2654 O O4 . NAG E 2 . ? 14.080 13.284 19.892 1.00 74.75 ? 687 NAG A O4 1 HETATM 2655 O O5 . NAG E 2 . ? 11.425 11.180 21.350 1.00 62.35 ? 687 NAG A O5 1 HETATM 2656 O O6 . NAG E 2 . ? 10.759 13.887 21.441 1.00 67.83 ? 687 NAG A O6 1 HETATM 2657 O O7 . NAG E 2 . ? 10.306 8.515 17.641 1.00 59.37 ? 687 NAG A O7 1 HETATM 2658 C C1 . NAG F 2 . ? 13.933 14.455 19.042 1.00 79.32 ? 688 NAG A C1 1 HETATM 2659 C C2 . NAG F 2 . ? 14.973 15.558 19.338 1.00 81.29 ? 688 NAG A C2 1 HETATM 2660 C C3 . NAG F 2 . ? 14.804 16.746 18.373 1.00 82.27 ? 688 NAG A C3 1 HETATM 2661 C C4 . NAG F 2 . ? 14.774 16.281 16.914 1.00 82.90 ? 688 NAG A C4 1 HETATM 2662 C C5 . NAG F 2 . ? 13.812 15.099 16.711 1.00 82.54 ? 688 NAG A C5 1 HETATM 2663 C C6 . NAG F 2 . ? 14.007 14.446 15.343 1.00 82.79 ? 688 NAG A C6 1 HETATM 2664 C C7 . NAG F 2 . ? 14.087 16.240 21.632 1.00 82.30 ? 688 NAG A C7 1 HETATM 2665 C C8 . NAG F 2 . ? 12.954 17.174 21.285 1.00 82.31 ? 688 NAG A C8 1 HETATM 2666 N N2 . NAG F 2 . ? 15.059 16.028 20.729 1.00 82.18 ? 688 NAG A N2 1 HETATM 2667 O O3 . NAG F 2 . ? 15.853 17.684 18.536 1.00 82.09 ? 688 NAG A O3 1 HETATM 2668 O O4 . NAG F 2 . ? 14.448 17.376 16.074 1.00 83.54 ? 688 NAG A O4 1 HETATM 2669 O O5 . NAG F 2 . ? 14.042 14.088 17.678 1.00 81.40 ? 688 NAG A O5 1 HETATM 2670 O O6 . NAG F 2 . ? 15.125 13.578 15.388 1.00 82.73 ? 688 NAG A O6 1 HETATM 2671 O O7 . NAG F 2 . ? 14.126 15.709 22.746 1.00 81.72 ? 688 NAG A O7 1 HETATM 2672 C C1 . NAG G 2 . ? -18.248 4.555 1.313 1.00 34.21 ? 689 NAG A C1 1 HETATM 2673 C C2 . NAG G 2 . ? -18.136 5.992 0.781 1.00 37.89 ? 689 NAG A C2 1 HETATM 2674 C C3 . NAG G 2 . ? -17.219 6.051 -0.445 1.00 40.58 ? 689 NAG A C3 1 HETATM 2675 C C4 . NAG G 2 . ? -15.858 5.398 -0.189 1.00 42.34 ? 689 NAG A C4 1 HETATM 2676 C C5 . NAG G 2 . ? -16.052 4.034 0.505 1.00 38.81 ? 689 NAG A C5 1 HETATM 2677 C C6 . NAG G 2 . ? -14.738 3.418 0.969 1.00 36.29 ? 689 NAG A C6 1 HETATM 2678 C C7 . NAG G 2 . ? -20.072 7.441 1.186 1.00 37.28 ? 689 NAG A C7 1 HETATM 2679 C C8 . NAG G 2 . ? -21.458 7.796 0.732 1.00 37.08 ? 689 NAG A C8 1 HETATM 2680 N N2 . NAG G 2 . ? -19.445 6.523 0.448 1.00 36.78 ? 689 NAG A N2 1 HETATM 2681 O O3 . NAG G 2 . ? -17.002 7.396 -0.808 1.00 42.64 ? 689 NAG A O3 1 HETATM 2682 O O4 . NAG G 2 . ? -15.168 5.291 -1.431 1.00 47.36 ? 689 NAG A O4 1 HETATM 2683 O O5 . NAG G 2 . ? -16.930 4.145 1.623 1.00 35.82 ? 689 NAG A O5 1 HETATM 2684 O O6 . NAG G 2 . ? -14.187 4.253 1.954 1.00 36.29 ? 689 NAG A O6 1 HETATM 2685 O O7 . NAG G 2 . ? -19.592 7.987 2.188 1.00 37.49 ? 689 NAG A O7 1 HETATM 2686 C C1 . NAG H 2 . ? -13.881 5.949 -1.393 1.00 51.80 ? 690 NAG A C1 1 HETATM 2687 C C2 . NAG H 2 . ? -12.927 5.257 -2.387 1.00 53.92 ? 690 NAG A C2 1 HETATM 2688 C C3 . NAG H 2 . ? -11.669 6.086 -2.703 1.00 55.69 ? 690 NAG A C3 1 HETATM 2689 C C4 . NAG H 2 . ? -12.026 7.559 -2.939 1.00 56.31 ? 690 NAG A C4 1 HETATM 2690 C C5 . NAG H 2 . ? -12.741 8.038 -1.674 1.00 55.51 ? 690 NAG A C5 1 HETATM 2691 C C6 . NAG H 2 . ? -12.899 9.557 -1.626 1.00 56.02 ? 690 NAG A C6 1 HETATM 2692 C C7 . NAG H 2 . ? -12.751 2.779 -2.526 1.00 54.46 ? 690 NAG A C7 1 HETATM 2693 C C8 . NAG H 2 . ? -11.953 1.598 -2.055 1.00 54.90 ? 690 NAG A C8 1 HETATM 2694 N N2 . NAG H 2 . ? -12.531 3.944 -1.890 1.00 54.26 ? 690 NAG A N2 1 HETATM 2695 O O3 . NAG H 2 . ? -11.008 5.550 -3.831 1.00 56.50 ? 690 NAG A O3 1 HETATM 2696 O O4 . NAG H 2 . ? -10.887 8.354 -3.244 1.00 57.05 ? 690 NAG A O4 1 HETATM 2697 O O5 . NAG H 2 . ? -13.989 7.355 -1.599 1.00 54.16 ? 690 NAG A O5 1 HETATM 2698 O O6 . NAG H 2 . ? -14.245 9.926 -1.420 1.00 56.58 ? 690 NAG A O6 1 HETATM 2699 O O7 . NAG H 2 . ? -13.556 2.613 -3.441 1.00 54.12 ? 690 NAG A O7 1 HETATM 2700 FE FE . FE I 4 . ? -17.168 2.358 14.994 1.00 20.36 ? 1001 FE A FE 1 HETATM 2701 C C . CO3 J 5 . ? -18.571 0.266 15.355 1.00 13.36 ? 1002 CO3 A C 1 HETATM 2702 O O1 . CO3 J 5 . ? -17.329 0.157 15.702 1.00 13.46 ? 1002 CO3 A O1 1 HETATM 2703 O O2 . CO3 J 5 . ? -19.021 1.405 14.985 1.00 14.65 ? 1002 CO3 A O2 1 HETATM 2704 O O3 . CO3 J 5 . ? -19.382 -0.725 15.374 1.00 13.43 ? 1002 CO3 A O3 1 HETATM 2705 ZN ZN . ZN K 6 . ? -16.899 23.060 24.125 1.00 34.59 ? 1003 ZN A ZN 1 HETATM 2706 ZN ZN . ZN L 6 . ? -28.418 10.699 7.296 1.00 39.44 ? 1004 ZN A ZN 1 HETATM 2707 S S . SO4 M 7 . ? -32.752 -6.145 -4.801 1.00 62.45 ? 1005 SO4 A S 1 HETATM 2708 O O1 . SO4 M 7 . ? -32.226 -4.897 -4.256 1.00 62.48 ? 1005 SO4 A O1 1 HETATM 2709 O O2 . SO4 M 7 . ? -34.210 -6.146 -4.690 1.00 63.21 ? 1005 SO4 A O2 1 HETATM 2710 O O3 . SO4 M 7 . ? -32.334 -6.229 -6.199 1.00 63.64 ? 1005 SO4 A O3 1 HETATM 2711 O O4 . SO4 M 7 . ? -32.249 -7.314 -4.074 1.00 63.32 ? 1005 SO4 A O4 1 HETATM 2712 C C1 . RNP N 8 . ? -17.428 14.781 15.847 1.00 52.19 ? 691 RNP A C1 1 HETATM 2713 C C2 . RNP N 8 . ? -16.769 13.769 15.140 1.00 52.22 ? 691 RNP A C2 1 HETATM 2714 C C3 . RNP N 8 . ? -17.454 12.970 14.232 1.00 51.95 ? 691 RNP A C3 1 HETATM 2715 C C4 . RNP N 8 . ? -18.820 13.184 14.032 1.00 52.59 ? 691 RNP A C4 1 HETATM 2716 C C5 . RNP N 8 . ? -20.879 14.375 14.540 1.00 52.52 ? 691 RNP A C5 1 HETATM 2717 C C6 . RNP N 8 . ? -21.558 15.376 15.245 1.00 52.11 ? 691 RNP A C6 1 HETATM 2718 C C7 . RNP N 8 . ? -20.870 16.187 16.152 1.00 52.12 ? 691 RNP A C7 1 HETATM 2719 C C8 . RNP N 8 . ? -19.500 15.998 16.356 1.00 52.42 ? 691 RNP A C8 1 HETATM 2720 C C9 . RNP N 8 . ? -18.807 14.988 15.662 1.00 52.63 ? 691 RNP A C9 1 HETATM 2721 C C10 . RNP N 8 . ? -19.506 14.177 14.747 1.00 53.01 ? 691 RNP A C10 1 HETATM 2722 O O1 . RNP N 8 . ? -16.707 15.553 16.728 1.00 52.25 ? 691 RNP A O1 1 HETATM 2723 C C11 . RNP N 8 . ? -15.889 16.666 16.328 1.00 51.81 ? 691 RNP A C11 1 HETATM 2724 C C12 . RNP N 8 . ? -15.553 17.450 17.602 1.00 51.74 ? 691 RNP A C12 1 HETATM 2725 O O2 . RNP N 8 . ? -16.779 17.939 18.184 1.00 51.43 ? 691 RNP A O2 1 HETATM 2726 C C13 . RNP N 8 . ? -14.538 18.579 17.352 1.00 51.74 ? 691 RNP A C13 1 HETATM 2727 N N1 . RNP N 8 . ? -15.059 19.923 17.594 1.00 52.07 ? 691 RNP A N1 1 HETATM 2728 C C14 . RNP N 8 . ? -15.795 20.307 18.804 1.00 52.29 ? 691 RNP A C14 1 HETATM 2729 C C15 . RNP N 8 . ? -14.987 21.326 19.592 1.00 52.11 ? 691 RNP A C15 1 HETATM 2730 C C16 . RNP N 8 . ? -17.205 20.837 18.495 1.00 51.97 ? 691 RNP A C16 1 HETATM 2731 O O . HOH O 9 . ? -32.084 4.520 5.758 1.00 28.39 ? 14 HOH A O 1 HETATM 2732 O O . HOH O 9 . ? 0.512 4.372 8.223 1.00 26.53 ? 15 HOH A O 1 HETATM 2733 O O . HOH O 9 . ? -15.058 -4.256 26.358 1.00 39.20 ? 16 HOH A O 1 HETATM 2734 O O . HOH O 9 . ? -6.034 -8.383 19.107 1.00 27.49 ? 17 HOH A O 1 HETATM 2735 O O . HOH O 9 . ? -4.098 9.084 29.916 1.00 21.99 ? 18 HOH A O 1 HETATM 2736 O O . HOH O 9 . ? -13.231 6.306 12.541 1.00 20.81 ? 19 HOH A O 1 HETATM 2737 O O . HOH O 9 . ? -11.892 -12.865 10.758 1.00 23.36 ? 20 HOH A O 1 HETATM 2738 O O . HOH O 9 . ? -12.466 0.564 9.202 1.00 25.88 ? 21 HOH A O 1 HETATM 2739 O O . HOH O 9 . ? -20.466 -19.716 13.692 1.00 38.33 ? 22 HOH A O 1 HETATM 2740 O O . HOH O 9 . ? -3.107 7.482 32.189 1.00 32.81 ? 23 HOH A O 1 HETATM 2741 O O . HOH O 9 . ? -12.120 -4.748 11.791 1.00 26.04 ? 24 HOH A O 1 HETATM 2742 O O . HOH O 9 . ? -10.856 6.182 9.611 1.00 25.54 ? 25 HOH A O 1 HETATM 2743 O O . HOH O 9 . ? -18.274 5.804 16.547 1.00 21.17 ? 26 HOH A O 1 HETATM 2744 O O . HOH O 9 . ? -17.554 -4.639 23.575 1.00 31.06 ? 27 HOH A O 1 HETATM 2745 O O . HOH O 9 . ? 1.278 14.071 32.851 1.00 45.66 ? 28 HOH A O 1 HETATM 2746 O O . HOH O 9 . ? -36.518 -2.479 -2.289 1.00 36.90 ? 30 HOH A O 1 HETATM 2747 O O . HOH O 9 . ? -8.819 -6.508 19.311 1.00 22.98 ? 31 HOH A O 1 HETATM 2748 O O . HOH O 9 . ? -12.872 0.714 19.759 1.00 30.93 ? 32 HOH A O 1 HETATM 2749 O O . HOH O 9 . ? -12.890 -3.205 14.105 1.00 28.39 ? 33 HOH A O 1 HETATM 2750 O O . HOH O 9 . ? -24.175 -19.244 22.595 1.00 34.43 ? 34 HOH A O 1 HETATM 2751 O O . HOH O 9 . ? -7.770 -7.837 30.476 1.00 30.57 ? 35 HOH A O 1 HETATM 2752 O O . HOH O 9 . ? -11.275 -1.068 21.021 1.00 20.98 ? 36 HOH A O 1 HETATM 2753 O O . HOH O 9 . ? -0.692 10.081 8.624 1.00 41.19 ? 37 HOH A O 1 HETATM 2754 O O . HOH O 9 . ? -27.678 10.408 12.425 1.00 45.12 ? 38 HOH A O 1 HETATM 2755 O O . HOH O 9 . ? -9.400 12.453 33.199 1.00 38.73 ? 39 HOH A O 1 HETATM 2756 O O . HOH O 9 . ? -28.240 -11.827 3.704 1.00 27.01 ? 40 HOH A O 1 HETATM 2757 O O . HOH O 9 . ? -8.644 -0.918 18.073 1.00 25.88 ? 41 HOH A O 1 HETATM 2758 O O . HOH O 9 . ? -6.303 2.737 3.550 1.00 59.64 ? 42 HOH A O 1 HETATM 2759 O O . HOH O 9 . ? -12.550 -7.545 33.321 1.00 38.97 ? 43 HOH A O 1 HETATM 2760 O O . HOH O 9 . ? -8.948 7.506 -4.804 1.00 56.02 ? 44 HOH A O 1 HETATM 2761 O O . HOH O 9 . ? -14.546 3.532 12.104 1.00 20.90 ? 45 HOH A O 1 HETATM 2762 O O . HOH O 9 . ? -7.941 -3.688 33.313 1.00 33.67 ? 46 HOH A O 1 HETATM 2763 O O . HOH O 9 . ? -26.176 -14.195 4.485 1.00 26.13 ? 47 HOH A O 1 HETATM 2764 O O . HOH O 9 . ? -16.497 -15.890 1.638 1.00 52.19 ? 48 HOH A O 1 HETATM 2765 O O . HOH O 9 . ? -24.052 7.416 -1.599 1.00 38.62 ? 49 HOH A O 1 HETATM 2766 O O . HOH O 9 . ? -27.167 12.298 7.787 1.00 48.41 ? 50 HOH A O 1 HETATM 2767 O O . HOH O 9 . ? -10.072 -4.377 14.995 1.00 30.38 ? 51 HOH A O 1 HETATM 2768 O O . HOH O 9 . ? -9.127 -4.503 17.384 1.00 27.22 ? 52 HOH A O 1 HETATM 2769 O O . HOH O 9 . ? -0.422 -8.187 14.424 1.00 33.93 ? 53 HOH A O 1 HETATM 2770 O O . HOH O 9 . ? -13.531 -4.804 23.478 1.00 28.08 ? 54 HOH A O 1 HETATM 2771 O O . HOH O 9 . ? -9.308 -0.212 15.401 1.00 29.75 ? 55 HOH A O 1 HETATM 2772 O O . HOH O 9 . ? -10.850 -11.529 14.046 1.00 36.45 ? 56 HOH A O 1 HETATM 2773 O O . HOH O 9 . ? -34.887 21.488 16.564 1.00 79.91 ? 57 HOH A O 1 HETATM 2774 O O . HOH O 9 . ? -18.986 -16.699 0.474 1.00 43.34 ? 58 HOH A O 1 HETATM 2775 O O . HOH O 9 . ? -14.720 15.284 28.155 1.00 34.60 ? 59 HOH A O 1 HETATM 2776 O O . HOH O 9 . ? -14.782 13.644 30.220 1.00 37.98 ? 60 HOH A O 1 HETATM 2777 O O . HOH O 9 . ? -6.929 18.044 19.459 1.00 32.44 ? 61 HOH A O 1 HETATM 2778 O O . HOH O 9 . ? -31.882 -15.435 -4.657 1.00 32.16 ? 62 HOH A O 1 HETATM 2779 O O . HOH O 9 . ? -29.953 -12.733 19.214 1.00 30.84 ? 63 HOH A O 1 HETATM 2780 O O . HOH O 9 . ? -30.463 -15.980 25.073 1.00 44.47 ? 64 HOH A O 1 HETATM 2781 O O . HOH O 9 . ? 6.162 -2.511 24.861 1.00 38.47 ? 65 HOH A O 1 HETATM 2782 O O . HOH O 9 . ? -35.118 -14.045 1.937 1.00 37.09 ? 66 HOH A O 1 HETATM 2783 O O . HOH O 9 . ? 1.707 -2.068 10.477 1.00 38.45 ? 67 HOH A O 1 HETATM 2784 O O . HOH O 9 . ? -31.470 -10.259 19.478 1.00 27.45 ? 68 HOH A O 1 HETATM 2785 O O . HOH O 9 . ? -0.450 -3.225 34.711 1.00 39.46 ? 69 HOH A O 1 HETATM 2786 O O . HOH O 9 . ? -25.770 -11.181 26.771 1.00 47.11 ? 70 HOH A O 1 HETATM 2787 O O . HOH O 9 . ? -0.480 19.492 23.497 1.00 56.20 ? 71 HOH A O 1 HETATM 2788 O O . HOH O 9 . ? -24.772 -3.277 -4.172 1.00 46.10 ? 72 HOH A O 1 HETATM 2789 O O . HOH O 9 . ? -36.238 -0.292 31.653 1.00 53.73 ? 73 HOH A O 1 HETATM 2790 O O . HOH O 9 . ? -5.235 -17.609 -2.454 1.00 90.81 ? 74 HOH A O 1 HETATM 2791 O O . HOH O 9 . ? -13.274 11.955 8.470 1.00 52.21 ? 75 HOH A O 1 HETATM 2792 O O . HOH O 9 . ? -31.910 4.818 21.658 1.00 32.44 ? 76 HOH A O 1 HETATM 2793 O O . HOH O 9 . ? -11.896 -8.458 -1.994 1.00 42.92 ? 77 HOH A O 1 HETATM 2794 O O . HOH O 9 . ? -30.701 7.151 5.001 1.00 37.48 ? 78 HOH A O 1 HETATM 2795 O O . HOH O 9 . ? -33.675 6.205 4.126 1.00 44.35 ? 79 HOH A O 1 HETATM 2796 O O . HOH O 9 . ? -2.411 12.723 4.795 1.00 55.17 ? 80 HOH A O 1 HETATM 2797 O O . HOH O 9 . ? -6.656 -10.295 30.396 1.00 40.85 ? 81 HOH A O 1 HETATM 2798 O O . HOH O 9 . ? -21.754 4.500 -0.875 1.00 52.96 ? 82 HOH A O 1 HETATM 2799 O O . HOH O 9 . ? -3.345 -6.067 31.589 1.00 39.23 ? 83 HOH A O 1 HETATM 2800 O O . HOH O 9 . ? -2.946 20.793 23.723 1.00 55.47 ? 84 HOH A O 1 HETATM 2801 O O . HOH O 9 . ? 17.847 15.438 17.540 1.00 74.03 ? 85 HOH A O 1 HETATM 2802 O O . HOH O 9 . ? -2.941 -14.321 15.284 1.00 54.61 ? 86 HOH A O 1 HETATM 2803 O O . HOH O 9 . ? -10.972 17.390 23.427 1.00 35.94 ? 87 HOH A O 1 HETATM 2804 O O . HOH O 9 . ? -22.184 -20.766 7.066 1.00 50.95 ? 88 HOH A O 1 HETATM 2805 O O . HOH O 9 . ? -17.915 -19.884 11.480 1.00 50.53 ? 89 HOH A O 1 HETATM 2806 O O . HOH O 9 . ? -10.957 -2.818 18.542 1.00 48.93 ? 90 HOH A O 1 HETATM 2807 O O . HOH O 9 . ? -5.675 18.487 32.508 1.00 33.24 ? 91 HOH A O 1 HETATM 2808 O O . HOH O 9 . ? -15.079 -17.894 3.563 1.00 48.97 ? 93 HOH A O 1 HETATM 2809 O O . HOH O 9 . ? -32.595 -16.549 9.554 1.00 34.98 ? 94 HOH A O 1 HETATM 2810 O O . HOH O 9 . ? -21.600 2.624 24.570 1.00 30.88 ? 95 HOH A O 1 HETATM 2811 O O . HOH O 9 . ? -26.056 -19.535 10.808 1.00 52.62 ? 96 HOH A O 1 HETATM 2812 O O . HOH O 9 . ? -19.900 -11.760 -3.873 1.00 45.89 ? 97 HOH A O 1 HETATM 2813 O O . HOH O 9 . ? -40.157 -11.506 10.412 1.00 56.98 ? 98 HOH A O 1 HETATM 2814 O O . HOH O 9 . ? 1.252 21.821 17.368 1.00 54.82 ? 99 HOH A O 1 HETATM 2815 O O . HOH O 9 . ? -40.059 0.845 6.831 1.00 55.43 ? 100 HOH A O 1 HETATM 2816 O O . HOH O 9 . ? -16.371 -5.178 30.452 1.00 54.36 ? 101 HOH A O 1 HETATM 2817 O O . HOH O 9 . ? -32.210 8.816 28.083 1.00 67.14 ? 102 HOH A O 1 HETATM 2818 O O . HOH O 9 . ? 15.429 13.727 24.607 1.00 57.22 ? 103 HOH A O 1 HETATM 2819 O O . HOH O 9 . ? -15.494 -21.163 11.928 1.00 56.30 ? 105 HOH A O 1 HETATM 2820 O O . HOH O 9 . ? -9.144 10.158 -5.154 1.00 72.29 ? 106 HOH A O 1 HETATM 2821 O O . HOH O 9 . ? -8.636 -12.941 25.386 1.00 38.84 ? 107 HOH A O 1 HETATM 2822 O O . HOH O 9 . ? -10.718 1.986 17.146 1.00 38.63 ? 108 HOH A O 1 HETATM 2823 O O . HOH O 9 . ? -12.027 -2.325 -6.204 1.00 54.02 ? 109 HOH A O 1 HETATM 2824 O O . HOH O 9 . ? -20.053 18.626 27.650 1.00 43.99 ? 110 HOH A O 1 HETATM 2825 O O . HOH O 9 . ? -14.479 -14.813 -1.391 1.00 44.73 ? 112 HOH A O 1 HETATM 2826 O O . HOH O 9 . ? -10.533 0.434 7.588 1.00 31.31 ? 113 HOH A O 1 HETATM 2827 O O . HOH O 9 . ? -36.279 -4.856 -3.199 1.00 45.61 ? 114 HOH A O 1 HETATM 2828 O O . HOH O 9 . ? -24.705 0.167 24.604 1.00 45.80 ? 115 HOH A O 1 HETATM 2829 O O . HOH O 9 . ? -24.454 13.251 17.299 1.00 28.90 ? 116 HOH A O 1 HETATM 2830 O O . HOH O 9 . ? -8.037 12.962 1.802 1.00 70.84 ? 117 HOH A O 1 HETATM 2831 O O . HOH O 9 . ? -1.782 1.703 39.831 1.00 41.50 ? 119 HOH A O 1 HETATM 2832 O O . HOH O 9 . ? -5.303 -14.838 -0.808 1.00 63.91 ? 120 HOH A O 1 HETATM 2833 O O . HOH O 9 . ? -28.943 -15.689 1.289 1.00 49.50 ? 122 HOH A O 1 HETATM 2834 O O . HOH O 9 . ? -12.193 20.079 -2.019 1.00 63.46 ? 123 HOH A O 1 HETATM 2835 O O . HOH O 9 . ? -2.091 24.058 21.429 1.00 57.40 ? 124 HOH A O 1 HETATM 2836 O O . HOH O 9 . ? -39.180 -12.292 27.771 1.00 73.30 ? 125 HOH A O 1 HETATM 2837 O O . HOH O 9 . ? -25.849 7.553 -5.974 1.00 58.36 ? 126 HOH A O 1 HETATM 2838 O O . HOH O 9 . ? -29.962 -5.748 33.267 1.00 70.97 ? 127 HOH A O 1 HETATM 2839 O O . HOH O 9 . ? 1.831 -10.836 20.322 1.00 62.77 ? 129 HOH A O 1 HETATM 2840 O O . HOH O 9 . ? -7.972 15.011 -2.223 1.00 55.83 ? 130 HOH A O 1 HETATM 2841 O O . HOH O 9 . ? -11.994 -2.879 6.786 1.00 42.17 ? 133 HOH A O 1 HETATM 2842 O O . HOH O 9 . ? -35.769 -8.394 -3.440 1.00 39.38 ? 134 HOH A O 1 HETATM 2843 O O . HOH O 9 . ? -3.158 17.437 29.478 1.00 37.61 ? 135 HOH A O 1 HETATM 2844 O O . HOH O 9 . ? -31.590 -19.190 13.550 1.00 46.50 ? 136 HOH A O 1 HETATM 2845 O O . HOH O 9 . ? -0.131 -5.494 30.053 1.00 42.92 ? 137 HOH A O 1 HETATM 2846 O O . HOH O 9 . ? 1.106 -1.353 32.400 1.00 50.76 ? 138 HOH A O 1 HETATM 2847 O O . HOH O 9 . ? -21.526 3.931 31.355 1.00 63.89 ? 139 HOH A O 1 HETATM 2848 O O . HOH O 9 . ? -12.986 7.601 37.117 1.00 83.67 ? 141 HOH A O 1 HETATM 2849 O O . HOH O 9 . ? -9.304 25.845 -1.365 1.00 84.54 ? 142 HOH A O 1 HETATM 2850 O O . HOH O 9 . ? -11.491 -18.410 3.090 1.00 63.41 ? 144 HOH A O 1 HETATM 2851 O O . HOH O 9 . ? -7.481 -13.239 14.887 1.00 48.94 ? 145 HOH A O 1 HETATM 2852 O O . HOH O 9 . ? -23.426 18.892 23.437 1.00 56.14 ? 146 HOH A O 1 HETATM 2853 O O . HOH O 9 . ? 15.116 20.239 16.039 1.00 68.71 ? 147 HOH A O 1 HETATM 2854 O O . HOH O 9 . ? -12.500 14.913 6.831 1.00 58.77 ? 148 HOH A O 1 HETATM 2855 O O . HOH O 9 . ? -13.583 6.923 9.473 1.00 41.16 ? 149 HOH A O 1 HETATM 2856 O O . HOH O 9 . ? -14.220 10.245 26.193 1.00 50.17 ? 150 HOH A O 1 HETATM 2857 O O . HOH O 9 . ? -22.048 17.250 30.690 1.00 70.83 ? 151 HOH A O 1 HETATM 2858 O O . HOH O 9 . ? -36.177 -16.844 17.551 1.00 57.86 ? 158 HOH A O 1 HETATM 2859 O O . HOH O 9 . ? -5.455 20.197 20.385 1.00 55.12 ? 159 HOH A O 1 HETATM 2860 O O . HOH O 9 . ? -30.825 7.828 8.735 1.00 49.75 ? 162 HOH A O 1 HETATM 2861 O O . HOH O 9 . ? -22.119 19.445 25.758 1.00 46.67 ? 163 HOH A O 1 HETATM 2862 O O . HOH O 9 . ? -25.146 16.352 27.012 1.00 51.15 ? 164 HOH A O 1 HETATM 2863 O O . HOH O 9 . ? -30.935 -12.342 -6.505 1.00 59.75 ? 166 HOH A O 1 HETATM 2864 O O . HOH O 9 . ? -28.812 0.676 32.861 1.00 58.31 ? 168 HOH A O 1 HETATM 2865 O O . HOH O 9 . ? -11.765 -19.137 5.677 1.00 65.64 ? 169 HOH A O 1 HETATM 2866 O O . HOH O 9 . ? 6.046 13.285 7.780 1.00 46.65 ? 170 HOH A O 1 HETATM 2867 O O . HOH O 9 . ? -30.419 -0.676 34.632 1.00 75.66 ? 171 HOH A O 1 HETATM 2868 O O . HOH O 9 . ? -39.379 -7.115 11.929 1.00 44.73 ? 172 HOH A O 1 HETATM 2869 O O . HOH O 9 . ? -31.957 1.490 34.449 1.00 50.45 ? 173 HOH A O 1 HETATM 2870 O O . HOH O 9 . ? 3.879 -1.449 8.654 1.00 49.85 ? 174 HOH A O 1 HETATM 2871 O O . HOH O 9 . ? -13.940 -19.375 7.344 1.00 59.81 ? 175 HOH A O 1 HETATM 2872 O O . HOH O 9 . ? -8.045 20.542 -3.360 1.00 64.23 ? 176 HOH A O 1 HETATM 2873 O O . HOH O 9 . ? 7.615 13.327 4.046 1.00 78.46 ? 180 HOH A O 1 HETATM 2874 O O . HOH O 9 . ? -19.084 4.290 32.179 1.00 42.53 ? 181 HOH A O 1 HETATM 2875 O O . HOH O 9 . ? -20.945 -18.113 1.816 1.00 48.79 ? 182 HOH A O 1 HETATM 2876 O O . HOH O 9 . ? -33.653 -17.930 12.045 1.00 57.03 ? 183 HOH A O 1 HETATM 2877 O O . HOH O 9 . ? -33.401 2.986 22.272 1.00 42.50 ? 184 HOH A O 1 HETATM 2878 O O . HOH O 9 . ? -40.991 -13.651 13.106 1.00 73.08 ? 186 HOH A O 1 HETATM 2879 O O . HOH O 9 . ? -18.690 8.402 5.005 1.00 41.06 ? 187 HOH A O 1 HETATM 2880 O O . HOH O 9 . ? -3.816 4.411 5.926 1.00 48.05 ? 188 HOH A O 1 HETATM 2881 O O . HOH O 9 . ? -40.040 -3.100 3.794 1.00 54.72 ? 189 HOH A O 1 HETATM 2882 O O . HOH O 9 . ? 14.337 3.418 15.755 1.00 58.93 ? 190 HOH A O 1 HETATM 2883 O O . HOH O 9 . ? -0.303 -11.663 5.035 1.00 74.11 ? 191 HOH A O 1 HETATM 2884 O O . HOH O 9 . ? 8.144 -3.164 11.896 1.00 54.79 ? 192 HOH A O 1 HETATM 2885 O O . HOH O 9 . ? -35.505 -3.163 31.551 1.00 62.55 ? 193 HOH A O 1 HETATM 2886 O O . HOH O 9 . ? -8.163 -27.321 19.869 1.00 75.03 ? 196 HOH A O 1 HETATM 2887 O O . HOH O 9 . ? -0.164 19.427 20.487 1.00 66.76 ? 197 HOH A O 1 HETATM 2888 O O . HOH O 9 . ? -32.989 -18.846 19.338 1.00 53.05 ? 200 HOH A O 1 HETATM 2889 O O . HOH O 9 . ? -5.636 24.760 3.143 1.00 54.85 ? 201 HOH A O 1 HETATM 2890 O O . HOH O 9 . ? -6.184 -20.747 21.153 1.00 59.71 ? 202 HOH A O 1 HETATM 2891 O O . HOH O 9 . ? -39.862 -7.390 3.822 1.00 68.41 ? 204 HOH A O 1 HETATM 2892 O O . HOH O 9 . ? -0.357 6.804 0.743 1.00 51.83 ? 206 HOH A O 1 HETATM 2893 O O . HOH O 9 . ? -34.791 -20.658 11.558 1.00 62.87 ? 207 HOH A O 1 HETATM 2894 O O . HOH O 9 . ? -6.559 9.664 -4.202 1.00 63.83 ? 209 HOH A O 1 HETATM 2895 O O . HOH O 9 . ? -8.722 -0.820 4.052 1.00 55.90 ? 210 HOH A O 1 HETATM 2896 O O . HOH O 9 . ? -39.148 7.339 20.666 1.00 50.23 ? 211 HOH A O 1 HETATM 2897 O O . HOH O 9 . ? 7.283 -8.169 13.899 1.00 53.02 ? 212 HOH A O 1 HETATM 2898 O O . HOH O 9 . ? -21.371 -13.997 -1.802 1.00 61.33 ? 213 HOH A O 1 HETATM 2899 O O . HOH O 9 . ? -11.101 -7.259 13.459 1.00 57.41 ? 214 HOH A O 1 HETATM 2900 O O . HOH O 9 . ? 5.708 -7.912 17.313 1.00 59.14 ? 215 HOH A O 1 HETATM 2901 O O . HOH O 9 . ? -28.697 11.650 36.619 1.00 65.51 ? 216 HOH A O 1 HETATM 2902 O O . HOH O 9 . ? -19.064 -1.132 30.426 1.00 43.05 ? 219 HOH A O 1 HETATM 2903 O O . HOH O 9 . ? -13.096 12.052 5.627 1.00 49.57 ? 220 HOH A O 1 HETATM 2904 O O . HOH O 9 . ? -30.125 8.106 13.604 1.00 62.58 ? 223 HOH A O 1 HETATM 2905 O O . HOH O 9 . ? -32.924 19.268 16.211 1.00 52.88 ? 225 HOH A O 1 HETATM 2906 O O . HOH O 9 . ? -32.119 21.981 18.075 1.00 65.91 ? 226 HOH A O 1 HETATM 2907 O O . HOH O 9 . ? -32.169 -2.084 -4.962 1.00 44.34 ? 230 HOH A O 1 HETATM 2908 O O . HOH O 9 . ? -31.481 -3.787 -6.825 1.00 58.31 ? 231 HOH A O 1 HETATM 2909 O O . HOH O 9 . ? -20.660 10.379 35.205 1.00 58.38 ? 232 HOH A O 1 HETATM 2910 O O . HOH O 9 . ? -21.965 -11.628 -8.955 1.00 63.32 ? 234 HOH A O 1 HETATM 2911 O O . HOH O 9 . ? -35.959 22.100 21.229 1.00 76.07 ? 235 HOH A O 1 HETATM 2912 O O . HOH O 9 . ? -9.176 -4.123 2.355 1.00 52.96 ? 236 HOH A O 1 HETATM 2913 O O . HOH O 9 . ? -9.440 -2.553 6.833 1.00 49.73 ? 237 HOH A O 1 HETATM 2914 O O . HOH O 9 . ? -5.979 -14.562 4.517 1.00 57.64 ? 238 HOH A O 1 HETATM 2915 O O . HOH O 9 . ? -26.711 -1.596 25.065 1.00 34.10 ? 242 HOH A O 1 HETATM 2916 O O . HOH O 9 . ? -5.390 -5.645 -3.234 1.00 50.34 ? 243 HOH A O 1 HETATM 2917 O O . HOH O 9 . ? -12.358 0.358 -5.294 1.00 73.16 ? 244 HOH A O 1 HETATM 2918 O O . HOH O 9 . ? -16.257 -4.455 -11.049 1.00 81.24 ? 245 HOH A O 1 HETATM 2919 O O . HOH O 9 . ? -5.296 -10.696 3.659 1.00 58.13 ? 247 HOH A O 1 HETATM 2920 O O . HOH O 9 . ? -5.915 -5.747 32.164 1.00 35.97 ? 248 HOH A O 1 HETATM 2921 O O . HOH O 9 . ? -1.435 -4.579 32.501 1.00 41.85 ? 249 HOH A O 1 HETATM 2922 O O . HOH O 9 . ? -12.151 -0.373 17.319 1.00 50.67 ? 250 HOH A O 1 HETATM 2923 O O . HOH O 9 . ? -1.325 -7.538 9.863 1.00 68.10 ? 251 HOH A O 1 HETATM 2924 O O . HOH O 9 . ? -28.341 -16.006 4.906 1.00 41.04 ? 252 HOH A O 1 HETATM 2925 O O . HOH O 9 . ? -18.185 0.052 27.140 1.00 51.14 ? 253 HOH A O 1 HETATM 2926 O O . HOH O 9 . ? -12.667 17.718 27.683 1.00 44.48 ? 254 HOH A O 1 HETATM 2927 O O . HOH O 9 . ? -9.357 -19.836 12.683 1.00 78.89 ? 255 HOH A O 1 HETATM 2928 O O . HOH O 9 . ? -8.904 1.806 -3.568 1.00 67.64 ? 256 HOH A O 1 HETATM 2929 O O . HOH O 9 . ? -44.381 0.163 18.807 1.00 62.25 ? 257 HOH A O 1 HETATM 2930 O O . HOH O 9 . ? -13.843 -9.939 -5.903 1.00 51.48 ? 258 HOH A O 1 HETATM 2931 O O . HOH O 9 . ? 1.009 3.730 37.047 1.00 39.92 ? 259 HOH A O 1 HETATM 2932 O O . HOH O 9 . ? -16.331 -6.694 28.205 1.00 46.24 ? 260 HOH A O 1 HETATM 2933 O O . HOH O 9 . ? -1.533 13.059 37.169 1.00 41.36 ? 261 HOH A O 1 HETATM 2934 O O . HOH O 9 . ? -9.745 -14.830 27.414 1.00 47.98 ? 263 HOH A O 1 HETATM 2935 O O . HOH O 9 . ? 0.995 -11.235 12.389 1.00 55.22 ? 264 HOH A O 1 HETATM 2936 O O . HOH O 9 . ? 10.729 9.407 25.142 1.00 63.22 ? 266 HOH A O 1 HETATM 2937 O O . HOH O 9 . ? -27.256 -6.174 29.001 1.00 88.34 ? 269 HOH A O 1 HETATM 2938 O O . HOH O 9 . ? -34.109 -13.563 27.016 1.00 55.00 ? 270 HOH A O 1 HETATM 2939 O O . HOH O 9 . ? -18.849 -3.175 26.694 1.00 45.83 ? 271 HOH A O 1 HETATM 2940 O O . HOH O 9 . ? -26.057 -10.669 -8.581 1.00 65.08 ? 273 HOH A O 1 HETATM 2941 O O . HOH O 9 . ? -35.986 -18.139 13.505 1.00 49.58 ? 274 HOH A O 1 HETATM 2942 O O . HOH O 9 . ? -25.319 -7.528 26.547 1.00 61.37 ? 275 HOH A O 1 HETATM 2943 O O . HOH O 9 . ? -32.906 -15.184 -7.598 1.00 50.19 ? 276 HOH A O 1 HETATM 2944 O O . HOH O 9 . ? -27.954 -18.202 6.535 1.00 50.78 ? 277 HOH A O 1 HETATM 2945 O O . HOH O 9 . ? -14.540 4.880 8.003 1.00 31.35 ? 278 HOH A O 1 HETATM 2946 O O . HOH O 9 . ? 1.317 15.175 12.290 1.00 51.09 ? 279 HOH A O 1 HETATM 2947 O O . HOH O 9 . ? -26.856 8.420 -2.523 1.00 37.96 ? 280 HOH A O 1 HETATM 2948 O O . HOH O 9 . ? -13.285 23.805 7.390 1.00 67.07 ? 282 HOH A O 1 HETATM 2949 O O . HOH O 9 . ? 5.042 0.021 29.468 1.00 65.17 ? 283 HOH A O 1 HETATM 2950 O O . HOH O 9 . ? 11.451 5.689 0.562 1.00 60.92 ? 284 HOH A O 1 HETATM 2951 O O . HOH O 9 . ? -20.566 23.497 21.665 1.00 59.75 ? 285 HOH A O 1 HETATM 2952 O O . HOH O 9 . ? 6.816 15.346 26.931 1.00 66.16 ? 286 HOH A O 1 HETATM 2953 O O . HOH O 9 . ? -27.324 12.944 10.320 1.00 57.38 ? 287 HOH A O 1 HETATM 2954 O O . HOH O 9 . ? -34.766 17.988 27.004 1.00 52.53 ? 288 HOH A O 1 HETATM 2955 O O . HOH O 9 . ? -8.324 15.285 0.584 1.00 77.40 ? 290 HOH A O 1 HETATM 2956 O O . HOH O 9 . ? -20.183 -10.536 14.223 1.00 18.22 ? 291 HOH A O 1 HETATM 2957 O O . HOH O 9 . ? -6.235 -0.506 21.172 1.00 16.13 ? 292 HOH A O 1 HETATM 2958 O O . HOH O 9 . ? -25.246 -0.009 11.737 1.00 19.98 ? 293 HOH A O 1 HETATM 2959 O O . HOH O 9 . ? -13.904 -1.365 7.813 1.00 26.21 ? 294 HOH A O 1 HETATM 2960 O O . HOH O 9 . ? -5.828 1.870 19.854 1.00 22.07 ? 295 HOH A O 1 HETATM 2961 O O . HOH O 9 . ? -4.235 -0.107 11.288 1.00 26.28 ? 296 HOH A O 1 HETATM 2962 O O . HOH O 9 . ? -8.823 0.245 20.839 1.00 20.27 ? 297 HOH A O 1 HETATM 2963 O O . HOH O 9 . ? -10.051 2.276 14.989 1.00 28.17 ? 298 HOH A O 1 HETATM 2964 O O . HOH O 9 . ? -35.088 -2.046 4.208 1.00 28.39 ? 299 HOH A O 1 HETATM 2965 O O . HOH O 9 . ? -28.240 0.907 5.575 1.00 15.54 ? 300 HOH A O 1 HETATM 2966 O O . HOH O 9 . ? -25.871 -12.304 -3.088 1.00 26.70 ? 301 HOH A O 1 HETATM 2967 O O . HOH O 9 . ? -12.003 -0.521 13.984 1.00 23.62 ? 302 HOH A O 1 HETATM 2968 O O . HOH O 9 . ? -18.657 5.734 5.853 1.00 25.04 ? 303 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 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O # _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 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 167.1 ? 2 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 96.7 ? 3 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 89.1 ? 4 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 O2 ? J CO3 . ? A CO3 1002 ? 1_555 102.1 ? 5 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 O2 ? J CO3 . ? A CO3 1002 ? 1_555 88.5 ? 6 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 O2 ? J CO3 . ? A CO3 1002 ? 1_555 97.3 ? 7 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 83.2 ? 8 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 84.9 ? 9 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 94.5 ? 10 O2 ? J CO3 . ? A CO3 1002 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 166.3 ? 11 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 O1 ? J CO3 . ? A CO3 1002 ? 1_555 94.5 ? 12 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 O1 ? J CO3 . ? A CO3 1002 ? 1_555 84.3 ? 13 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 O1 ? J CO3 . ? A CO3 1002 ? 1_555 156.8 ? 14 O2 ? J CO3 . ? A CO3 1002 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 O1 ? J CO3 . ? A CO3 1002 ? 1_555 60.3 ? 15 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? I FE . ? A FE 1001 ? 1_555 O1 ? J CO3 . ? A CO3 1002 ? 1_555 107.0 ? 16 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? K ZN . ? A ZN 1003 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 56.6 ? 17 O ? O HOH . ? A HOH 50 ? 1_555 ZN ? L ZN . ? A ZN 1004 ? 1_555 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 113.5 ? # 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 2010-06-30 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 MOLREP phasing . ? 2 REFMAC refinement 5.2.0019 ? 3 AUTOMAR 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3MJN _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;THERE ARE CONFLICTS BETWEEN SEQRES(LYS A 565, GLU A 608) AND SEQUENCE DATABASE (ASN, LYS). THE AUTHORS BELIEVE THAT THE SEQRES IS CORRECT AND IS THE TRUE IDENTITY OF THESE RESIDUES AND IS NATURAL MUTANT. ; _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # 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 THR A 343 ? ? 81.66 -12.72 2 1 ALA A 460 ? ? 176.13 151.38 3 1 TRP A 467 ? ? -136.14 -63.54 4 1 ASP A 509 ? ? -38.50 -32.17 5 1 CYS A 515 ? ? 81.95 10.21 6 1 THR A 557 ? ? 70.13 -10.30 7 1 CYS A 625 ? ? -65.13 -75.80 8 1 SER A 634 ? ? -169.82 48.39 9 1 GLU A 635 ? ? 35.61 62.83 10 1 LEU A 640 ? ? 68.37 -47.38 11 1 ARG A 654 ? ? 17.67 67.87 12 1 ALA A 683 ? ? 175.05 159.37 # 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 THR 677 ? A THR 336 2 1 Y 1 A SER 678 ? A SER 337 3 1 Y 1 A PRO 679 ? A PRO 338 4 1 Y 1 A LEU 680 ? A LEU 339 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 'FE (III) ION' FE 5 'CARBONATE ION' CO3 6 'ZINC ION' ZN 7 'SULFATE ION' SO4 8 '(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL' RNP 9 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1 1 NAG NAG A . C 2 NAG 2 2 2 NAG NAG A . D 3 BMA 3 3 3 BMA BMA A . E 2 NAG 1 687 687 NAG NAG A . F 2 NAG 2 688 688 NAG NAG A . G 2 NAG 1 689 689 NAG NAG A . H 2 NAG 2 690 690 NAG NAG A . I 4 FE 1 1001 1001 FE FE A . J 5 CO3 1 1002 1002 CO3 CO3 A . K 6 ZN 1 1003 1003 ZN ZN A . L 6 ZN 1 1004 1004 ZN ZN A . M 7 SO4 1 1005 1005 SO4 SO4 A . N 8 RNP 1 691 1 RNP RNP A . O 9 HOH 1 14 14 HOH HOH A . O 9 HOH 2 15 15 HOH HOH A . O 9 HOH 3 16 16 HOH HOH A . O 9 HOH 4 17 17 HOH HOH A . O 9 HOH 5 18 18 HOH HOH A . O 9 HOH 6 19 19 HOH HOH A . O 9 HOH 7 20 20 HOH HOH A . O 9 HOH 8 21 21 HOH HOH A . O 9 HOH 9 22 22 HOH HOH A . O 9 HOH 10 23 23 HOH HOH A . O 9 HOH 11 24 24 HOH HOH A . O 9 HOH 12 25 25 HOH HOH A . O 9 HOH 13 26 26 HOH HOH A . O 9 HOH 14 27 27 HOH HOH A . O 9 HOH 15 28 28 HOH HOH A . O 9 HOH 16 30 30 HOH HOH A . O 9 HOH 17 31 31 HOH HOH A . O 9 HOH 18 32 32 HOH HOH A . O 9 HOH 19 33 33 HOH HOH A . O 9 HOH 20 34 34 HOH HOH A . O 9 HOH 21 35 35 HOH HOH A . O 9 HOH 22 36 36 HOH HOH A . O 9 HOH 23 37 37 HOH HOH A . O 9 HOH 24 38 38 HOH HOH A . O 9 HOH 25 39 39 HOH HOH A . O 9 HOH 26 40 40 HOH HOH A . O 9 HOH 27 41 41 HOH HOH A . O 9 HOH 28 42 42 HOH HOH A . O 9 HOH 29 43 43 HOH HOH A . O 9 HOH 30 44 44 HOH HOH A . O 9 HOH 31 45 45 HOH HOH A . O 9 HOH 32 46 46 HOH HOH A . O 9 HOH 33 47 47 HOH HOH A . O 9 HOH 34 48 48 HOH HOH A . O 9 HOH 35 49 49 HOH HOH A . O 9 HOH 36 50 50 HOH HOH A . O 9 HOH 37 51 51 HOH HOH A . O 9 HOH 38 52 52 HOH HOH A . O 9 HOH 39 53 53 HOH HOH A . O 9 HOH 40 54 54 HOH HOH A . O 9 HOH 41 55 55 HOH HOH A . O 9 HOH 42 56 56 HOH HOH A . O 9 HOH 43 57 57 HOH HOH A . O 9 HOH 44 58 58 HOH HOH A . O 9 HOH 45 59 59 HOH HOH A . O 9 HOH 46 60 60 HOH HOH A . O 9 HOH 47 61 61 HOH HOH A . O 9 HOH 48 62 62 HOH HOH A . O 9 HOH 49 63 63 HOH HOH A . O 9 HOH 50 64 64 HOH HOH A . O 9 HOH 51 65 65 HOH HOH A . O 9 HOH 52 66 66 HOH HOH A . O 9 HOH 53 67 67 HOH HOH A . O 9 HOH 54 68 68 HOH HOH A . O 9 HOH 55 69 69 HOH HOH A . O 9 HOH 56 70 70 HOH HOH A . O 9 HOH 57 71 71 HOH HOH A . O 9 HOH 58 72 72 HOH HOH A . O 9 HOH 59 73 73 HOH HOH A . O 9 HOH 60 74 74 HOH HOH A . O 9 HOH 61 75 75 HOH HOH A . O 9 HOH 62 76 76 HOH HOH A . O 9 HOH 63 77 77 HOH HOH A . O 9 HOH 64 78 78 HOH HOH A . O 9 HOH 65 79 79 HOH HOH A . O 9 HOH 66 80 80 HOH HOH A . O 9 HOH 67 81 81 HOH HOH A . O 9 HOH 68 82 82 HOH HOH A . O 9 HOH 69 83 83 HOH HOH A . O 9 HOH 70 84 84 HOH HOH A . O 9 HOH 71 85 85 HOH HOH A . O 9 HOH 72 86 86 HOH HOH A . O 9 HOH 73 87 87 HOH HOH A . O 9 HOH 74 88 88 HOH HOH A . O 9 HOH 75 89 89 HOH HOH A . O 9 HOH 76 90 90 HOH HOH A . O 9 HOH 77 91 91 HOH HOH A . O 9 HOH 78 93 93 HOH HOH A . O 9 HOH 79 94 94 HOH HOH A . O 9 HOH 80 95 95 HOH HOH A . O 9 HOH 81 96 96 HOH HOH A . O 9 HOH 82 97 97 HOH HOH A . O 9 HOH 83 98 98 HOH HOH A . O 9 HOH 84 99 99 HOH HOH A . O 9 HOH 85 100 100 HOH HOH A . O 9 HOH 86 101 101 HOH HOH A . O 9 HOH 87 102 102 HOH HOH A . O 9 HOH 88 103 103 HOH HOH A . O 9 HOH 89 105 105 HOH HOH A . O 9 HOH 90 106 106 HOH HOH A . O 9 HOH 91 107 107 HOH HOH A . O 9 HOH 92 108 108 HOH HOH A . O 9 HOH 93 109 109 HOH HOH A . O 9 HOH 94 110 110 HOH HOH A . O 9 HOH 95 112 112 HOH HOH A . O 9 HOH 96 113 113 HOH HOH A . O 9 HOH 97 114 114 HOH HOH A . O 9 HOH 98 115 115 HOH HOH A . O 9 HOH 99 116 116 HOH HOH A . O 9 HOH 100 117 117 HOH HOH A . O 9 HOH 101 119 119 HOH HOH A . O 9 HOH 102 120 120 HOH HOH A . O 9 HOH 103 122 122 HOH HOH A . O 9 HOH 104 123 123 HOH HOH A . O 9 HOH 105 124 124 HOH HOH A . O 9 HOH 106 125 125 HOH HOH A . O 9 HOH 107 126 126 HOH HOH A . O 9 HOH 108 127 127 HOH HOH A . O 9 HOH 109 129 129 HOH HOH A . O 9 HOH 110 130 130 HOH HOH A . O 9 HOH 111 133 133 HOH HOH A . O 9 HOH 112 134 134 HOH HOH A . O 9 HOH 113 135 135 HOH HOH A . O 9 HOH 114 136 136 HOH HOH A . O 9 HOH 115 137 137 HOH HOH A . O 9 HOH 116 138 138 HOH HOH A . O 9 HOH 117 139 139 HOH HOH A . O 9 HOH 118 141 141 HOH HOH A . O 9 HOH 119 142 142 HOH HOH A . O 9 HOH 120 144 144 HOH HOH A . O 9 HOH 121 145 145 HOH HOH A . O 9 HOH 122 146 146 HOH HOH A . O 9 HOH 123 147 147 HOH HOH A . O 9 HOH 124 148 148 HOH HOH A . O 9 HOH 125 149 149 HOH HOH A . O 9 HOH 126 150 150 HOH HOH A . O 9 HOH 127 151 151 HOH HOH A . O 9 HOH 128 158 158 HOH HOH A . O 9 HOH 129 159 159 HOH HOH A . O 9 HOH 130 162 162 HOH HOH A . O 9 HOH 131 163 163 HOH HOH A . O 9 HOH 132 164 164 HOH HOH A . O 9 HOH 133 166 166 HOH HOH A . O 9 HOH 134 168 168 HOH HOH A . O 9 HOH 135 169 169 HOH HOH A . O 9 HOH 136 170 170 HOH HOH A . O 9 HOH 137 171 171 HOH HOH A . O 9 HOH 138 172 172 HOH HOH A . O 9 HOH 139 173 173 HOH HOH A . O 9 HOH 140 174 174 HOH HOH A . O 9 HOH 141 175 175 HOH HOH A . O 9 HOH 142 176 176 HOH HOH A . O 9 HOH 143 180 180 HOH HOH A . O 9 HOH 144 181 181 HOH HOH A . O 9 HOH 145 182 182 HOH HOH A . O 9 HOH 146 183 183 HOH HOH A . O 9 HOH 147 184 184 HOH HOH A . O 9 HOH 148 186 186 HOH HOH A . O 9 HOH 149 187 187 HOH HOH A . O 9 HOH 150 188 188 HOH HOH A . O 9 HOH 151 189 189 HOH HOH A . O 9 HOH 152 190 190 HOH HOH A . O 9 HOH 153 191 191 HOH HOH A . O 9 HOH 154 192 192 HOH HOH A . O 9 HOH 155 193 193 HOH HOH A . O 9 HOH 156 196 196 HOH HOH A . O 9 HOH 157 197 197 HOH HOH A . O 9 HOH 158 200 200 HOH HOH A . O 9 HOH 159 201 201 HOH HOH A . O 9 HOH 160 202 202 HOH HOH A . O 9 HOH 161 204 204 HOH HOH A . O 9 HOH 162 206 206 HOH HOH A . O 9 HOH 163 207 207 HOH HOH A . O 9 HOH 164 209 209 HOH HOH A . O 9 HOH 165 210 210 HOH HOH A . O 9 HOH 166 211 211 HOH HOH A . O 9 HOH 167 212 212 HOH HOH A . O 9 HOH 168 213 213 HOH HOH A . O 9 HOH 169 214 214 HOH HOH A . O 9 HOH 170 215 215 HOH HOH A . O 9 HOH 171 216 216 HOH HOH A . O 9 HOH 172 219 219 HOH HOH A . O 9 HOH 173 220 220 HOH HOH A . O 9 HOH 174 223 223 HOH HOH A . O 9 HOH 175 225 225 HOH HOH A . O 9 HOH 176 226 226 HOH HOH A . O 9 HOH 177 230 230 HOH HOH A . O 9 HOH 178 231 231 HOH HOH A . O 9 HOH 179 232 232 HOH HOH A . O 9 HOH 180 234 234 HOH HOH A . O 9 HOH 181 235 235 HOH HOH A . O 9 HOH 182 236 236 HOH HOH A . O 9 HOH 183 237 237 HOH HOH A . O 9 HOH 184 238 238 HOH HOH A . O 9 HOH 185 242 242 HOH HOH A . O 9 HOH 186 243 243 HOH HOH A . O 9 HOH 187 244 244 HOH HOH A . O 9 HOH 188 245 245 HOH HOH A . O 9 HOH 189 247 247 HOH HOH A . O 9 HOH 190 248 248 HOH HOH A . O 9 HOH 191 249 249 HOH HOH A . O 9 HOH 192 250 250 HOH HOH A . O 9 HOH 193 251 251 HOH HOH A . O 9 HOH 194 252 252 HOH HOH A . O 9 HOH 195 253 253 HOH HOH A . O 9 HOH 196 254 254 HOH HOH A . O 9 HOH 197 255 255 HOH HOH A . O 9 HOH 198 256 256 HOH HOH A . O 9 HOH 199 257 257 HOH HOH A . O 9 HOH 200 258 258 HOH HOH A . O 9 HOH 201 259 259 HOH HOH A . O 9 HOH 202 260 260 HOH HOH A . O 9 HOH 203 261 261 HOH HOH A . O 9 HOH 204 263 263 HOH HOH A . O 9 HOH 205 264 264 HOH HOH A . O 9 HOH 206 266 266 HOH HOH A . O 9 HOH 207 269 269 HOH HOH A . O 9 HOH 208 270 270 HOH HOH A . O 9 HOH 209 271 271 HOH HOH A . O 9 HOH 210 273 273 HOH HOH A . O 9 HOH 211 274 274 HOH HOH A . O 9 HOH 212 275 275 HOH HOH A . O 9 HOH 213 276 276 HOH HOH A . O 9 HOH 214 277 277 HOH HOH A . O 9 HOH 215 278 278 HOH HOH A . O 9 HOH 216 279 279 HOH HOH A . O 9 HOH 217 280 280 HOH HOH A . O 9 HOH 218 282 282 HOH HOH A . O 9 HOH 219 283 283 HOH HOH A . O 9 HOH 220 284 284 HOH HOH A . O 9 HOH 221 285 285 HOH HOH A . O 9 HOH 222 286 286 HOH HOH A . O 9 HOH 223 287 287 HOH HOH A . O 9 HOH 224 288 288 HOH HOH A . O 9 HOH 225 290 290 HOH HOH A . O 9 HOH 226 291 291 HOH HOH A . O 9 HOH 227 292 292 HOH HOH A . O 9 HOH 228 293 293 HOH HOH A . O 9 HOH 229 294 294 HOH HOH A . O 9 HOH 230 295 295 HOH HOH A . O 9 HOH 231 296 296 HOH HOH A . O 9 HOH 232 297 297 HOH HOH A . O 9 HOH 233 298 298 HOH HOH A . O 9 HOH 234 299 299 HOH HOH A . O 9 HOH 235 300 300 HOH HOH A . O 9 HOH 236 301 301 HOH HOH A . O 9 HOH 237 302 302 HOH HOH A . O 9 HOH 238 303 303 HOH HOH A . #