data_3UK4 # _entry.id 3UK4 # _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 3UK4 RCSB RCSB068855 WWPDB D_1000068855 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 3IB0 _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3UK4 _pdbx_database_status.recvd_initial_deposition_date 2011-11-09 _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.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Shukla, P.K.' 1 'Gautam, L.' 2 'Sinha, M.' 3 'Kaur, P.' 4 'Sharma, S.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title 'Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1,2,5-Pentanetriol at 1.98 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 'Shukla, P.K.' 1 primary 'Gautam, L.' 2 primary 'Sinha, M.' 3 primary 'Kaur, P.' 4 primary 'Sharma, S.' 5 primary 'Singh, T.P.' 6 # _cell.entry_id 3UK4 _cell.length_a 62.925 _cell.length_b 50.215 _cell.length_c 65.633 _cell.angle_alpha 90.00 _cell.angle_beta 106.88 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3UK4 _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 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Lactotransferrin 36622.312 1 3.4.21.- ? 'C-lobe, UNP residues 361-695' ? 2 polymer nat 'C-terminal peptide from Lactotransferrin' 652.759 1 ? ? ? ? 3 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 4 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 5 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 6 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 7 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 8 non-polymer syn '(2S)-pentane-1,2,5-triol' 120.147 1 ? ? ? ? 9 water nat water 18.015 310 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Lactoferrin, Lactoferricin-B, Lfcin-B' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCS ; ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCS ; A ? 2 'polypeptide(L)' no no LEACAF LEACAF B ? # 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 2 1 LEU n 2 2 GLU n 2 3 ALA n 2 4 CYS n 2 5 ALA n 2 6 PHE n # loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _entity_src_nat.common_name _entity_src_nat.pdbx_organism_scientific _entity_src_nat.pdbx_ncbi_taxonomy_id _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 1 1 sample ? ? bovine 'Bos taurus' 9913 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? bovine 'Bos taurus' 9913 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP TRFL_BOVIN P24627 1 ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCS ; 361 ? 2 UNP TRFL_BOVIN P24627 2 LEACAF 700 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3UK4 A 1 ? 335 ? P24627 361 ? 695 ? 342 676 2 2 3UK4 B 1 ? 6 ? P24627 700 ? 705 ? 681 686 # 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 3UK4 LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3UK4 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 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 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 XXD non-polymer . '(2S)-pentane-1,2,5-triol' ? 'C5 H12 O3' 120.147 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 3UK4 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.66 _exptl_crystal.density_percent_sol 53.79 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.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, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 77 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2011-09-30 _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 0.97 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE BM14' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97 # _reflns.entry_id 3UK4 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 62.80 _reflns.d_resolution_high 1.98 _reflns.number_obs 24870 _reflns.number_all 24870 _reflns.percent_possible_obs 95.0 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.099 _reflns.pdbx_netI_over_sigmaI 7.3 _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_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.98 _reflns_shell.d_res_low 2.05 _reflns_shell.percent_possible_all 99.1 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.264 _reflns_shell.meanI_over_sigI_obs 2.0 _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_rejects ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.number_possible ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3UK4 _refine.ls_number_reflns_obs 24870 _refine.ls_number_reflns_all 24870 _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 62.80 _refine.ls_d_res_high 1.98 _refine.ls_percent_reflns_obs 94.98 _refine.ls_R_factor_obs 0.20021 _refine.ls_R_factor_all 0.20021 _refine.ls_R_factor_R_work 0.19795 _refine.ls_R_factor_R_free 0.24112 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 1332 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.941 _refine.correlation_coeff_Fo_to_Fc_free 0.914 _refine.B_iso_mean 25.034 _refine.aniso_B[1][1] 2.41 _refine.aniso_B[2][2] -1.66 _refine.aniso_B[3][3] -1.18 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.74 _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 1.40 _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 3IB0 _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_Free 0.172 _refine.overall_SU_ML 0.106 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 3.714 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _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_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _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 90 _refine_hist.number_atoms_solvent 310 _refine_hist.number_atoms_total 3004 _refine_hist.d_res_high 1.98 _refine_hist.d_res_low 62.80 # 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_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 0.027 0.022 ? 2746 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.723 1.981 ? 3722 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 5.188 5.000 ? 339 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 38.250 25.169 ? 118 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 15.315 15.000 ? 448 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 18.986 15.000 ? 12 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.154 0.200 ? 422 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.011 0.021 ? 2034 ? 'X-RAY DIFFRACTION' r_mcbond_it 1.685 1.500 ? 1692 ? 'X-RAY DIFFRACTION' r_mcangle_it 2.619 2.000 ? 2699 ? 'X-RAY DIFFRACTION' r_scbond_it 3.293 3.000 ? 1054 ? 'X-RAY DIFFRACTION' r_scangle_it 4.830 4.500 ? 1023 ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.980 _refine_ls_shell.d_res_low 2.05 _refine_ls_shell.number_reflns_R_work 1921 _refine_ls_shell.R_factor_R_work 0.287 _refine_ls_shell.percent_reflns_obs 99.17 _refine_ls_shell.R_factor_R_free 0.343 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 108 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? # _struct.entry_id 3UK4 _struct.title 'Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1,2,5-Pentanetriol at 1.98 A Resolution' _struct.pdbx_descriptor 'Lactotransferrin (E.C.3.4.21.-), C-terminal peptide from Lactotransferrin' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3UK4 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'C-lobe of Lactoferrin, Antibacterial, Iron Binding Protein, 1, 2, 5-Pentanetriol, 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 3 ? D N N 3 ? E N N 4 ? F N N 5 ? G N N 6 ? H N N 7 ? I N N 7 ? J N N 7 ? K N N 7 ? L N N 7 ? M N N 8 ? N N N 9 ? 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 ? GLY A 25 ? GLY A 351 GLY A 366 1 ? 16 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 ASP A 83 ? ARG A 87 ? ASP A 424 ARG A 428 5 ? 5 HELX_P HELX_P5 5 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P6 6 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P7 7 ALA A 141 ? PHE A 145 ? ALA A 482 PHE A 486 5 ? 5 HELX_P HELX_P8 8 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P9 9 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P10 10 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P11 11 THR A 241 ? CYS A 246 ? THR A 582 CYS A 587 5 ? 6 HELX_P HELX_P12 12 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P13 13 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P14 14 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 ? ? ? ? ? ? ? 2.039 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.038 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 B CYS 4 SG ? ? A CYS 405 B CYS 684 1_555 ? ? ? ? ? ? ? 2.050 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.018 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.022 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.040 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.012 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.038 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.029 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.045 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 368 A NAG 1 1_555 ? ? ? ? ? ? ? 1.426 ? covale2 covale ? ? A ASN 204 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 545 A NAG 8 1_555 ? ? ? ? ? ? ? 1.428 ? covale3 covale ? ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? A NAG 8 A NAG 9 1_555 ? ? ? ? ? ? ? 1.437 ? covale4 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 3 A NAG 4 1_555 ? ? ? ? ? ? ? 1.441 ? covale5 covale ? ? A ASN 135 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 476 A NAG 3 1_555 ? ? ? ? ? ? ? 1.451 ? metalc1 metalc ? ? A TYR 185 OH ? ? ? 1_555 E FE . FE ? ? A TYR 526 A FE 84 1_555 ? ? ? ? ? ? ? 2.014 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 E FE . FE ? ? A TYR 433 A FE 84 1_555 ? ? ? ? ? ? ? 2.015 ? metalc3 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 E FE . FE ? ? A ASP 395 A FE 84 1_555 ? ? ? ? ? ? ? 2.054 ? metalc4 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 588 A ZN 82 1_555 ? ? ? ? ? ? ? 2.139 ? metalc5 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 E FE . FE ? ? A HIS 595 A FE 84 1_555 ? ? ? ? ? ? ? 2.253 ? metalc6 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 C ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.257 ? metalc7 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 C ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.267 ? metalc8 metalc ? ? E FE . FE ? ? ? 1_555 F CO3 . O1 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.318 ? metalc9 metalc ? ? E FE . FE ? ? ? 1_555 F CO3 . O2 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.269 ? metalc10 metalc ? ? D ZN . ZN ? ? ? 1_555 N HOH . O ? ? A ZN 82 A HOH 5 1_555 ? ? ? ? ? ? ? 1.703 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id CYS _struct_mon_prot_cis.label_seq_id 284 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id CYS _struct_mon_prot_cis.auth_seq_id 625 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 285 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 626 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 4.53 # 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 ? SER A 258 ? ALA A 596 SER A 599 B 3 VAL A 67 ? ASN A 73 ? VAL A 408 ASN A 414 B 4 CYS A 306 ? LYS A 309 ? CYS A 647 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 ? PRO A 239 ? ARG A 578 PRO A 580 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 ALA A 8 ? N ALA A 349 O ALA A 31 ? O ALA A 372 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O VAL A 256 ? O VAL A 597 N VAL A 69 ? N VAL A 410 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 VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 C 4 5 N ALA A 96 ? N ALA A 437 O LEU A 231 ? O LEU A 572 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 VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 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 ? ? ? ? 1 'BINDING SITE FOR RESIDUE ZN A 81' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE ZN A 82' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 84' AC4 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 85' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 692' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 1' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 3' AC8 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 4' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 8' BC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 9' BC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE XXD A 677' # 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 1 GLU A 318 ? GLU A 659 . ? 1_555 ? 2 AC2 3 HOH N . ? HOH A 5 . ? 1_555 ? 3 AC2 3 HOH N . ? HOH A 243 . ? 1_555 ? 4 AC2 3 HIS A 247 ? HIS A 588 . ? 1_555 ? 5 AC3 5 CO3 F . ? CO3 A 85 . ? 1_555 ? 6 AC3 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 7 AC3 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 8 AC3 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 9 AC3 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 10 AC4 10 FE E . ? FE A 84 . ? 1_555 ? 11 AC4 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 12 AC4 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 13 AC4 10 THR A 118 ? THR A 459 . ? 1_555 ? 14 AC4 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 15 AC4 10 THR A 123 ? THR A 464 . ? 1_555 ? 16 AC4 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 17 AC4 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 18 AC4 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 19 AC4 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 20 AC5 4 HOH N . ? HOH A 122 . ? 1_555 ? 21 AC5 4 LYS A 100 ? LYS A 441 . ? 1_555 ? 22 AC5 4 ARG A 229 ? ARG A 570 . ? 1_555 ? 23 AC5 4 ARG A 237 ? ARG A 578 . ? 1_555 ? 24 AC6 6 HOH N . ? HOH A 219 . ? 1_555 ? 25 AC6 6 HOH N . ? HOH A 276 . ? 1_555 ? 26 AC6 6 SER A 24 ? SER A 365 . ? 1_555 ? 27 AC6 6 ASN A 27 ? ASN A 368 . ? 1_555 ? 28 AC6 6 GLN A 273 ? GLN A 614 . ? 1_555 ? 29 AC6 6 LEU A 276 ? LEU A 617 . ? 1_555 ? 30 AC7 6 NAG J . ? NAG A 4 . ? 1_555 ? 31 AC7 6 HOH N . ? HOH A 46 . ? 1_555 ? 32 AC7 6 HOH N . ? HOH A 149 . ? 1_555 ? 33 AC7 6 ASN A 135 ? ASN A 476 . ? 1_555 ? 34 AC7 6 ALA A 327 ? ALA A 668 . ? 1_555 ? 35 AC7 6 ASN A 330 ? ASN A 671 . ? 1_555 ? 36 AC8 7 NAG I . ? NAG A 3 . ? 1_555 ? 37 AC8 7 HOH N . ? HOH A 149 . ? 1_555 ? 38 AC8 7 HOH N . ? HOH A 161 . ? 1_555 ? 39 AC8 7 HOH N . ? HOH A 293 . ? 1_555 ? 40 AC8 7 GLU A 323 ? GLU A 664 . ? 1_555 ? 41 AC8 7 THR A 326 ? THR A 667 . ? 1_555 ? 42 AC8 7 ASN A 330 ? ASN A 671 . ? 1_555 ? 43 AC9 6 NAG L . ? NAG A 9 . ? 1_555 ? 44 AC9 6 HOH N . ? HOH A 253 . ? 1_555 ? 45 AC9 6 LEU A 93 ? LEU A 434 . ? 1_555 ? 46 AC9 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 47 AC9 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 48 AC9 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 49 BC1 2 NAG K . ? NAG A 8 . ? 1_555 ? 50 BC1 2 HOH N . ? HOH A 205 . ? 1_555 ? 51 BC2 4 HOH N . ? HOH A 230 . ? 1_555 ? 52 BC2 4 GLY A 321 ? GLY A 662 . ? 1_555 ? 53 BC2 4 THR A 322 ? THR A 663 . ? 1_555 ? 54 BC2 4 GLU A 323 ? GLU A 664 . ? 1_555 ? # _database_PDB_matrix.entry_id 3UK4 _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 3UK4 _atom_sites.fract_transf_matrix[1][1] 0.015892 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004823 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019914 _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] 0.015922 _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 ? 10.741 12.879 28.844 1.00 55.07 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 9.648 12.545 29.818 1.00 54.92 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 8.376 12.191 29.057 1.00 53.64 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 7.367 11.664 29.634 1.00 53.11 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 9.416 13.678 30.857 1.00 56.05 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 10.684 14.074 31.612 1.00 59.07 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 11.709 13.136 31.826 1.00 62.16 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 10.868 15.380 32.094 1.00 62.38 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 12.895 13.472 32.496 1.00 63.71 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 12.060 15.740 32.786 1.00 63.65 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 13.064 14.769 32.978 1.00 64.46 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 14.236 15.064 33.652 1.00 64.45 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 8.434 12.461 27.749 1.00 51.05 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 7.386 11.929 26.872 1.00 48.82 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 7.757 10.538 26.280 1.00 45.67 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 7.918 10.366 25.025 1.00 46.85 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 7.017 12.934 25.811 1.00 48.73 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 8.220 13.623 25.394 1.00 52.18 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 6.007 13.891 26.370 1.00 47.06 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 7.922 9.558 27.187 1.00 41.80 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 7.766 8.116 26.818 1.00 36.14 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 6.273 7.831 26.944 1.00 31.96 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 5.727 7.989 28.032 1.00 31.27 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 8.548 7.258 27.781 1.00 37.46 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 8.514 5.806 27.409 1.00 42.22 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 9.845 5.078 27.720 1.00 47.25 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 9.839 4.362 29.010 1.00 53.17 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 8.808 3.700 29.561 1.00 55.06 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 7.612 3.606 28.967 1.00 51.89 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 8.990 3.101 30.739 1.00 55.72 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 5.607 7.426 25.852 1.00 26.97 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 4.168 7.175 25.887 1.00 20.92 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 3.893 5.653 25.916 1.00 18.71 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 4.448 4.896 25.115 1.00 18.79 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 3.480 7.816 24.672 1.00 19.99 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 2.063 7.287 24.513 1.00 19.30 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 3.428 9.417 24.867 1.00 21.02 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 3.046 5.241 26.841 1.00 15.64 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 2.665 3.857 27.022 1.00 15.47 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 1.324 3.662 26.272 1.00 13.92 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 0.322 4.146 26.692 1.00 15.56 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 2.494 3.502 28.493 1.00 14.61 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 2.133 2.002 28.659 1.00 17.35 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 3.827 3.805 29.293 1.00 17.76 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 1.360 2.932 25.200 1.00 15.14 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 0.130 2.589 24.427 1.00 15.50 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? -0.558 1.369 25.044 1.00 15.66 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 0.117 0.535 25.706 1.00 17.40 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 0.499 2.300 22.973 1.00 13.25 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? -0.690 2.633 22.060 1.00 12.86 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? -1.599 1.767 21.560 1.00 13.58 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? -1.123 3.938 21.699 1.00 12.22 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? -2.539 2.439 20.817 1.00 11.98 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? -2.297 3.787 20.923 1.00 13.11 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? -0.667 5.235 21.998 1.00 13.12 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? -2.954 4.861 20.363 1.00 12.33 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? -1.371 6.347 21.457 1.00 13.31 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? -2.508 6.146 20.662 1.00 11.59 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? -1.892 1.288 24.968 1.00 13.49 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? -2.542 0.081 25.424 1.00 11.11 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? -3.043 -0.712 24.218 1.00 15.29 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? -3.911 -0.181 23.401 1.00 12.54 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? -3.674 0.414 26.425 1.00 13.79 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? -4.265 -1.092 27.360 1.00 14.43 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? -2.610 -1.963 24.125 1.00 11.50 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? -3.028 -2.864 23.028 1.00 15.03 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? -4.066 -3.856 23.552 1.00 12.75 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? -3.940 -4.363 24.651 1.00 12.92 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? -1.783 -3.667 22.520 1.00 13.09 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? -5.098 -4.094 22.747 1.00 11.79 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? -6.156 -4.931 23.076 1.00 11.83 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? -5.979 -6.320 22.405 1.00 13.84 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? -6.287 -6.498 21.198 1.00 12.05 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? -7.548 -4.295 22.596 1.00 14.50 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? -8.763 -5.238 23.015 1.00 15.32 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? -7.739 -2.921 23.285 1.00 12.80 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? -5.573 -7.330 23.204 1.00 13.82 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? -5.370 -8.680 22.748 1.00 14.23 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? -4.001 -8.833 22.141 1.00 16.10 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? -3.298 -7.819 21.900 1.00 14.40 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? -3.577 -10.100 21.912 1.00 17.24 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? -2.236 -10.477 21.440 1.00 15.19 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? -1.767 -9.987 20.053 1.00 16.75 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? -0.522 -9.847 19.848 1.00 12.94 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? -2.252 -12.042 21.482 1.00 17.21 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? -3.761 -12.392 21.278 1.00 19.05 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? -4.411 -11.279 22.205 1.00 16.58 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? -2.690 -9.744 19.097 1.00 12.03 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? -2.269 -9.330 17.833 1.00 13.44 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? -1.962 -7.850 17.853 1.00 14.25 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? -0.971 -7.429 17.236 1.00 14.45 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? -3.331 -9.625 16.725 1.00 15.60 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? -3.618 -11.109 16.562 1.00 16.70 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? -4.641 -11.395 15.440 1.00 24.06 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? -5.703 -10.763 15.389 1.00 21.50 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? -4.343 -12.245 14.571 1.00 29.30 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? -2.740 -7.060 18.624 1.00 12.57 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? -2.417 -5.625 18.728 1.00 12.74 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? -1.054 -5.500 19.489 1.00 13.36 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? -0.310 -4.599 19.268 1.00 15.42 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? -3.509 -4.873 19.441 1.00 11.00 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? -4.830 -4.664 18.565 1.00 12.51 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? -5.577 -3.409 18.977 1.00 16.65 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? -5.374 -2.837 20.107 1.00 15.17 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? -6.505 -3.029 18.251 1.00 16.95 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? -0.836 -6.401 20.422 1.00 15.87 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 0.374 -6.317 21.299 1.00 16.74 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 1.580 -6.485 20.386 1.00 16.61 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 2.516 -5.731 20.484 1.00 18.92 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 0.303 -7.401 22.366 1.00 16.02 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 1.598 -7.545 23.228 1.00 22.01 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 1.530 -8.752 24.188 1.00 28.12 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 1.206 -9.890 23.797 1.00 32.52 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 1.895 -8.529 25.419 1.00 31.53 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 1.539 -7.472 19.486 1.00 16.74 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 2.681 -7.725 18.588 1.00 18.87 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 2.953 -6.516 17.715 1.00 19.27 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 4.099 -6.124 17.535 1.00 17.24 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 2.430 -8.989 17.762 1.00 19.28 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 3.514 -9.317 16.801 1.00 25.21 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 3.015 -10.421 15.797 1.00 32.94 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 3.932 -10.545 14.551 1.00 38.97 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 5.208 -11.228 14.896 1.00 42.19 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 1.870 -5.916 17.157 1.00 18.06 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 2.075 -4.696 16.345 1.00 18.84 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 2.664 -3.550 17.190 1.00 18.53 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 3.583 -2.849 16.728 1.00 19.76 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 0.762 -4.219 15.670 1.00 16.43 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 0.997 -2.903 14.862 1.00 17.38 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? -0.230 -2.570 13.982 1.00 12.15 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? -0.222 -1.104 13.535 1.00 12.82 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? -1.373 -0.784 12.528 1.00 16.09 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 2.120 -3.347 18.382 1.00 16.73 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 2.636 -2.324 19.291 1.00 18.78 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 4.137 -2.533 19.600 1.00 18.92 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 4.884 -1.591 19.667 1.00 20.29 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 1.891 -2.362 20.654 1.00 19.24 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 2.316 -0.960 21.692 1.00 21.05 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 4.544 -3.778 19.845 1.00 19.93 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 5.957 -4.096 20.088 1.00 20.31 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 6.871 -3.711 18.915 1.00 20.52 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 7.991 -3.277 19.137 1.00 18.88 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 6.132 -5.608 20.405 1.00 21.89 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 5.516 -5.957 21.739 1.00 25.28 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 5.496 -7.479 22.021 1.00 29.78 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 5.369 -7.882 23.173 1.00 29.04 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 5.491 -8.290 20.972 1.00 28.95 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 6.371 -3.842 17.692 1.00 19.14 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 7.115 -3.462 16.511 1.00 20.37 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 7.228 -1.924 16.420 1.00 20.20 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 8.246 -1.379 16.051 1.00 19.46 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 6.432 -4.016 15.236 1.00 21.29 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 6.525 -5.523 15.078 1.00 26.16 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 5.657 -6.062 13.946 1.00 34.68 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 4.709 -5.387 13.462 1.00 38.70 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 5.937 -7.291 13.534 1.00 34.88 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 6.160 -1.245 16.773 1.00 20.63 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 6.121 0.240 16.842 1.00 18.76 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 7.117 0.704 17.933 1.00 19.57 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 7.936 1.607 17.689 1.00 21.51 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 4.695 0.653 17.210 1.00 15.91 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 4.449 2.162 17.246 1.00 15.33 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 5.254 3.159 16.747 1.00 13.97 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 3.306 2.812 17.832 1.00 12.65 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 4.646 4.418 16.983 1.00 12.30 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 3.460 4.212 17.643 1.00 10.58 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 2.149 2.332 18.479 1.00 16.18 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 2.499 5.152 18.081 1.00 11.96 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 1.163 3.299 18.936 1.00 14.80 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 1.371 4.696 18.736 1.00 10.43 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 7.083 0.062 19.068 1.00 18.78 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 7.976 0.410 20.186 1.00 22.06 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 9.463 0.357 19.764 1.00 21.80 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 10.190 1.360 19.892 1.00 22.59 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 7.731 -0.529 21.392 1.00 21.11 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 8.579 -0.118 22.491 1.00 22.04 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 9.866 -0.785 19.245 1.00 23.84 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 11.224 -0.978 18.662 1.00 25.98 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 11.636 0.078 17.659 1.00 25.93 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 12.735 0.654 17.771 1.00 24.71 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 11.299 -2.363 18.017 1.00 28.21 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 12.701 -2.788 17.581 1.00 34.44 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 12.682 -4.181 16.986 1.00 42.57 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 11.943 -5.079 17.455 1.00 47.66 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 13.468 -4.374 15.932 1.00 47.14 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 10.757 0.365 16.685 1.00 23.65 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 11.051 1.377 15.671 1.00 24.22 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 11.085 2.811 16.155 1.00 23.57 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 11.782 3.640 15.562 1.00 24.20 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 10.068 1.308 14.478 1.00 22.63 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 10.126 -0.004 13.736 1.00 27.83 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 11.504 -0.245 13.083 1.00 31.57 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 12.159 0.686 12.605 1.00 31.06 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 11.960 -1.473 13.139 1.00 33.93 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 10.345 3.100 17.225 1.00 23.36 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 10.292 4.428 17.821 1.00 22.81 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 11.453 4.712 18.784 1.00 23.62 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 11.580 5.829 19.298 1.00 22.50 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 8.988 4.605 18.606 1.00 22.61 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 8.987 3.808 19.797 1.00 22.25 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 12.294 3.727 19.019 1.00 26.05 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 13.413 3.915 19.981 1.00 27.50 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 12.919 4.005 21.406 1.00 29.60 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 13.525 4.677 22.216 1.00 29.82 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 11.806 3.297 21.703 1.00 30.89 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 11.152 3.241 23.028 1.00 31.82 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 10.499 4.562 23.403 1.00 30.39 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 10.169 4.767 24.561 1.00 30.94 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 12.104 2.828 24.155 1.00 33.31 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 13.085 1.720 23.787 1.00 38.81 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 12.428 0.399 23.664 1.00 41.58 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 12.798 -0.405 22.808 1.00 44.01 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 11.438 0.149 24.505 1.00 45.40 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 10.312 5.442 22.472 1.00 29.22 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 9.500 6.618 22.687 1.00 27.22 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 8.040 6.223 22.940 1.00 24.58 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 7.333 6.923 23.560 1.00 23.61 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 9.556 7.560 21.529 1.00 26.40 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 10.840 8.372 21.497 1.00 32.70 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 11.554 8.465 22.455 1.00 27.74 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 11.099 8.967 20.376 1.00 33.18 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 7.619 5.101 22.393 1.00 22.11 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 6.357 4.502 22.691 1.00 20.76 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 6.682 3.099 23.229 1.00 20.15 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 7.533 2.411 22.675 1.00 19.02 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 5.492 4.350 21.416 1.00 20.69 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 4.246 3.500 21.702 1.00 19.19 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 5.064 5.729 20.862 1.00 22.54 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 5.949 2.665 24.269 1.00 19.36 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 6.092 1.337 24.798 1.00 20.07 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 4.696 0.765 24.958 1.00 20.18 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 3.735 1.443 24.679 1.00 21.12 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 6.877 1.309 26.148 1.00 19.90 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 6.278 2.243 27.052 1.00 21.42 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 8.387 1.749 25.908 1.00 17.27 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 4.580 -0.481 25.372 1.00 21.07 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 3.268 -1.162 25.345 1.00 21.98 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 2.817 -1.810 26.656 1.00 22.20 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 3.616 -2.385 27.401 1.00 23.74 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 3.259 -2.228 24.228 1.00 22.14 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 3.972 -1.587 22.700 1.00 24.38 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 1.514 -1.713 26.890 1.00 16.89 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 0.815 -2.392 27.917 1.00 16.16 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? -0.257 -3.111 27.099 1.00 17.69 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? -0.668 -2.589 26.060 1.00 13.27 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 0.138 -1.411 28.871 1.00 17.14 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? -0.709 -4.296 27.570 1.00 17.63 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? -1.733 -4.997 26.832 1.00 19.80 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? -2.835 -5.466 27.809 1.00 19.15 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? -2.539 -5.768 28.964 1.00 18.87 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? -1.110 -6.200 26.075 1.00 20.35 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 0.034 -5.738 25.353 1.00 27.09 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? -2.069 -6.752 25.032 1.00 19.56 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? -4.049 -5.559 27.320 1.00 15.80 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? -5.210 -6.062 28.087 1.00 14.54 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? -6.094 -6.900 27.130 1.00 15.71 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? -5.907 -6.823 25.938 1.00 14.10 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? -5.995 -4.906 28.652 1.00 13.58 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? -7.052 -7.661 27.680 1.00 16.49 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? -7.840 -8.565 26.880 1.00 18.01 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? -9.057 -7.854 26.250 1.00 16.38 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? -9.583 -8.330 25.275 1.00 14.54 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? -8.400 -9.755 27.749 1.00 17.58 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? -7.288 -10.583 28.110 1.00 27.41 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? -9.469 -6.741 26.810 1.00 14.47 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? -10.663 -6.070 26.275 1.00 14.35 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? -10.454 -4.576 26.305 1.00 15.35 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? -9.549 -4.061 27.021 1.00 13.97 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? -11.943 -6.442 27.056 1.00 12.73 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? -11.904 -5.737 28.297 1.00 19.54 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? -11.968 -7.972 27.370 1.00 9.29 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? -11.224 -3.876 25.473 1.00 11.07 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? -11.096 -2.436 25.467 1.00 12.82 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? -11.425 -1.855 26.824 1.00 12.13 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? -10.788 -0.883 27.234 1.00 15.11 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? -12.036 -1.822 24.342 1.00 13.58 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? -11.682 -2.455 23.092 1.00 14.24 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? -11.796 -0.300 24.256 1.00 15.36 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? -12.513 -2.319 27.468 1.00 12.48 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? -12.880 -1.860 28.759 1.00 12.56 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? -11.656 -2.023 29.758 1.00 10.73 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? -11.375 -1.139 30.544 1.00 9.38 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? -14.061 -2.603 29.332 1.00 14.03 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? -15.413 -2.044 28.798 1.00 18.53 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? -15.456 -0.945 28.193 1.00 17.07 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? -16.405 -2.712 29.003 1.00 21.27 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? -10.977 -3.165 29.728 1.00 10.91 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? -9.758 -3.374 30.564 1.00 12.54 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? -8.638 -2.381 30.201 1.00 13.61 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? -7.882 -1.949 31.105 1.00 12.43 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? -9.160 -4.765 30.411 1.00 10.93 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? -9.986 -5.850 31.134 1.00 18.79 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? -10.973 -5.531 31.851 1.00 16.48 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? -9.599 -7.048 30.983 1.00 19.56 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? -8.509 -2.037 28.905 1.00 10.32 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? -7.439 -1.071 28.561 1.00 13.76 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? -7.781 0.334 29.122 1.00 13.61 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? -6.915 1.084 29.563 1.00 13.32 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? -7.211 -1.015 27.053 1.00 12.47 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? -5.871 -1.884 26.385 1.00 11.01 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? -9.056 0.650 29.141 1.00 13.06 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? -9.550 1.881 29.691 1.00 15.51 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? -9.178 1.980 31.183 1.00 14.45 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? -8.751 2.980 31.616 1.00 12.74 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? -11.055 2.056 29.441 1.00 15.88 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? -11.319 2.407 27.988 1.00 19.25 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? -11.625 3.156 30.264 1.00 14.78 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? -12.780 2.481 27.617 1.00 32.11 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? -9.343 0.887 31.901 1.00 12.48 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? -9.003 0.818 33.335 1.00 11.99 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? -7.512 1.003 33.567 1.00 13.66 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? -7.130 1.681 34.533 1.00 13.50 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? -9.457 -0.526 33.956 1.00 15.25 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? -8.869 -0.760 35.318 1.00 13.87 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? -11.038 -0.534 34.125 1.00 11.63 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? -6.663 0.412 32.692 1.00 11.05 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? -5.222 0.604 32.858 1.00 11.10 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? -4.938 2.080 32.698 1.00 11.07 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? -4.028 2.630 33.387 1.00 10.07 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? -4.436 -0.201 31.821 1.00 8.33 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? -4.398 -1.745 32.033 1.00 9.46 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? -3.496 -2.421 30.957 1.00 9.94 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? -3.720 -1.947 33.435 1.00 12.73 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? -5.650 2.718 31.780 1.00 9.46 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? -5.435 4.166 31.588 1.00 12.43 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? -5.843 4.980 32.787 1.00 12.39 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? -5.075 5.793 33.283 1.00 14.07 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? -6.161 4.688 30.286 1.00 11.72 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? -5.917 6.268 30.205 1.00 14.47 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? -5.553 4.144 29.071 1.00 11.76 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? -7.072 4.707 33.318 1.00 11.86 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? -7.525 5.353 34.525 1.00 11.43 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? -6.559 5.146 35.718 1.00 13.90 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? -6.369 6.076 36.532 1.00 14.93 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? -8.949 4.804 34.969 1.00 10.47 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? -10.037 5.033 33.898 1.00 15.38 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? -11.373 4.351 34.309 1.00 14.13 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? -10.302 6.601 33.768 1.00 16.81 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? -5.898 3.994 35.802 1.00 12.96 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? -4.934 3.743 36.892 1.00 10.86 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? -3.549 4.360 36.640 1.00 13.93 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? -2.689 4.376 37.558 1.00 14.12 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? -4.742 2.228 37.074 1.00 10.88 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? -6.014 1.443 37.612 1.00 11.96 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? -5.462 0.006 38.185 1.00 12.70 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? -4.999 -0.851 37.018 1.00 11.25 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? -4.695 -2.233 37.477 1.00 14.85 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? -3.331 4.873 35.425 1.00 15.77 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? -2.074 5.513 35.037 1.00 14.61 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? -0.996 4.472 34.656 1.00 18.36 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 0.218 4.795 34.646 1.00 17.79 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? -1.421 3.221 34.351 1.00 15.61 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? -0.521 2.175 33.955 1.00 16.32 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? -0.376 2.081 32.436 1.00 17.40 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 0.442 1.343 31.937 1.00 17.15 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? -1.054 0.809 34.557 1.00 16.26 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? -0.835 0.828 36.115 1.00 16.22 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? -1.616 -0.263 36.820 1.00 19.20 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? -2.192 0.002 37.890 1.00 17.18 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? -1.644 -1.397 36.307 1.00 21.65 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? -1.214 2.853 31.721 1.00 15.99 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? -1.130 3.088 30.328 1.00 13.95 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? -1.489 4.619 30.074 1.00 14.05 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? -2.183 5.216 30.870 1.00 14.00 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? -2.071 2.211 29.584 1.00 15.00 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? -0.960 5.204 29.000 1.00 11.70 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? -1.297 6.625 28.637 1.00 12.96 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? -2.488 6.766 27.694 1.00 13.54 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? -3.228 7.722 27.829 1.00 14.74 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? -0.118 7.283 27.955 1.00 11.76 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 1.054 7.532 28.983 1.00 13.57 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 0.726 7.925 30.084 1.00 11.92 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 2.235 7.362 28.626 1.00 16.50 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? -2.657 5.842 26.769 1.00 12.71 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? -3.659 6.067 25.694 1.00 11.30 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? -3.924 4.931 24.793 1.00 10.25 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? -3.181 3.945 24.745 1.00 11.03 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? -3.224 7.316 24.795 1.00 10.76 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? -5.004 5.092 23.989 1.00 9.81 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? -5.353 4.138 22.935 1.00 11.86 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? -6.438 4.767 22.067 1.00 10.92 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? -7.088 5.790 22.463 1.00 13.26 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? -5.848 2.738 23.495 1.00 12.63 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? -7.305 2.650 24.033 1.00 16.00 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? -7.737 1.191 24.111 1.00 16.79 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? -7.419 3.320 25.458 1.00 13.89 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? -6.653 4.184 20.909 1.00 12.62 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? -7.657 4.694 19.923 1.00 10.94 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? -8.973 3.918 20.123 1.00 11.88 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? -8.967 2.690 20.156 1.00 13.41 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? -7.058 4.462 18.543 1.00 13.59 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? -7.928 5.003 17.395 1.00 14.31 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? -8.306 6.177 17.378 1.00 15.93 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? -8.207 4.150 16.445 1.00 9.40 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? -10.101 4.621 20.245 1.00 10.32 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? -11.377 4.025 20.583 1.00 11.77 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? -12.544 4.356 19.595 1.00 10.12 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? -12.631 5.462 19.077 1.00 8.29 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? -11.877 4.544 21.957 1.00 10.11 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? -10.979 4.232 23.229 1.00 13.61 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? -11.709 4.807 24.403 1.00 16.02 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? -10.924 2.664 23.389 1.00 7.53 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? -13.417 3.385 19.428 1.00 11.57 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? -14.664 3.589 18.707 1.00 9.84 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? -15.483 4.555 19.551 1.00 13.08 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? -15.241 4.714 20.757 1.00 13.00 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? -15.395 2.278 18.550 1.00 9.52 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? -16.850 2.473 18.146 1.00 5.39 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? -17.050 2.826 16.985 1.00 12.86 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? -17.773 2.303 18.997 1.00 10.95 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? -16.497 5.187 18.934 1.00 13.34 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? -17.322 6.206 19.631 1.00 10.99 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? -18.102 5.679 20.834 1.00 12.46 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? -18.211 6.408 21.855 1.00 11.06 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? -18.597 4.436 20.765 1.00 9.65 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? -19.362 3.852 21.927 1.00 6.99 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? -18.375 3.709 23.109 1.00 12.02 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? -18.763 3.873 24.272 1.00 9.48 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? -17.119 3.405 22.802 1.00 9.54 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? -16.123 3.211 23.921 1.00 11.94 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? -15.648 4.602 24.425 1.00 11.82 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? -15.257 4.749 25.562 1.00 18.00 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? -14.933 2.471 23.337 1.00 11.13 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? -15.161 0.933 23.040 1.00 13.81 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? -15.885 0.129 23.896 1.00 13.11 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? -14.530 0.341 21.958 1.00 14.73 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? -16.013 -1.303 23.626 1.00 18.08 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? -14.637 -1.018 21.727 1.00 13.77 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? -15.393 -1.804 22.507 1.00 13.25 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? -15.490 -3.151 22.184 1.00 16.96 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? -15.685 5.628 23.577 1.00 13.76 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? -15.395 6.982 24.031 1.00 13.18 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? -16.386 7.453 25.056 1.00 14.39 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? -15.997 8.109 26.062 1.00 17.77 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? -15.301 7.972 22.855 1.00 13.72 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? -14.059 7.676 21.992 1.00 10.64 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? -15.177 9.484 23.373 1.00 17.35 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? -14.100 8.371 20.628 1.00 12.54 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? -17.632 7.061 24.896 1.00 12.45 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? -18.684 7.346 25.890 1.00 14.22 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? -18.259 6.722 27.253 1.00 14.43 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? -18.271 7.379 28.257 1.00 13.93 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? -20.002 6.726 25.456 1.00 14.02 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? -21.236 6.977 26.368 1.00 14.69 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? -21.949 8.130 26.266 1.00 21.52 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? -21.605 6.077 27.316 1.00 18.01 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? -23.046 8.391 27.127 1.00 24.98 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? -22.694 6.282 28.162 1.00 20.88 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? -23.408 7.435 28.058 1.00 23.38 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? -24.514 7.626 28.854 1.00 24.33 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? -17.923 5.429 27.251 1.00 14.83 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? -17.485 4.801 28.500 1.00 16.11 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? -16.263 5.510 29.099 1.00 15.30 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? -16.232 5.813 30.277 1.00 14.27 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? -17.092 3.288 28.316 1.00 18.02 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? -18.196 2.525 27.863 1.00 17.81 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? -16.585 2.682 29.637 1.00 19.98 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? -15.251 5.736 28.268 1.00 14.47 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? -13.993 6.328 28.766 1.00 14.26 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? -14.266 7.773 29.246 1.00 14.73 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? -13.708 8.216 30.277 1.00 13.55 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? -12.977 6.391 27.622 1.00 12.17 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? -15.168 8.461 28.555 1.00 13.04 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? -15.442 9.876 28.924 1.00 13.18 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? -16.292 10.057 30.148 1.00 15.85 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? -16.112 11.099 30.880 1.00 13.92 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? -17.155 9.095 30.467 1.00 14.03 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? -17.922 9.190 31.697 1.00 18.24 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? -16.964 8.959 32.866 1.00 18.22 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? -17.266 9.338 33.998 1.00 19.15 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? -19.050 8.204 31.761 1.00 20.08 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? -20.220 8.560 30.948 1.00 25.90 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? -21.213 9.294 31.846 1.00 29.41 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? -22.550 9.460 31.097 1.00 33.00 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? -23.554 10.134 31.976 1.00 41.38 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? -15.806 8.361 32.574 1.00 17.97 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? -14.786 8.100 33.649 1.00 17.56 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? -13.741 9.197 33.682 1.00 17.70 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? -12.719 9.064 34.362 1.00 17.84 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? -14.158 6.700 33.415 1.00 18.85 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? -15.329 5.335 33.560 1.00 25.08 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? -13.933 10.269 32.873 1.00 17.60 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? -13.006 11.387 32.826 1.00 17.34 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? -11.817 11.407 31.845 1.00 15.39 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? -11.123 12.370 31.804 1.00 16.12 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? -11.714 10.424 30.948 1.00 14.70 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? -10.737 10.500 29.906 1.00 14.46 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? -11.260 11.495 28.817 1.00 17.05 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? -12.480 11.679 28.643 1.00 15.64 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? -10.457 9.129 29.285 1.00 12.50 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? -9.990 8.042 30.315 1.00 18.21 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? -9.518 6.759 29.617 1.00 14.34 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? -8.820 8.682 31.178 1.00 12.33 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? -10.333 12.049 28.049 1.00 15.97 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? -10.652 13.080 27.075 1.00 18.41 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? -10.112 12.746 25.672 1.00 17.45 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? -9.065 12.128 25.539 1.00 15.55 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? -10.042 14.472 27.495 1.00 17.72 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? -10.635 14.923 28.812 1.00 17.42 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? -8.565 14.396 27.596 1.00 17.40 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? -10.848 13.157 24.621 1.00 17.19 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? -10.275 12.929 23.300 1.00 14.25 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? -9.077 13.749 22.995 1.00 15.06 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? -8.997 14.979 23.383 1.00 12.63 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? -11.457 13.223 22.318 1.00 17.41 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? -12.252 14.364 23.089 1.00 18.17 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? -12.057 13.999 24.615 1.00 18.37 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? -8.149 13.188 22.188 1.00 13.14 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? -6.848 13.881 21.914 1.00 15.70 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? -6.627 14.211 20.445 1.00 15.76 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? -6.451 15.404 20.096 1.00 12.92 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? -5.657 13.014 22.446 1.00 15.71 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? -4.346 13.513 22.094 1.00 18.50 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? -5.829 12.838 23.992 1.00 14.33 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? -6.743 13.210 19.569 1.00 14.08 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? -6.676 13.443 18.132 1.00 14.47 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? -7.696 12.429 17.524 1.00 15.42 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? -7.867 11.329 18.097 1.00 12.98 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? -5.249 13.070 17.568 1.00 14.58 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? -4.003 13.891 17.954 1.00 16.59 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? -2.708 13.234 17.469 1.00 18.16 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? -4.074 15.317 17.348 1.00 17.31 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? -8.225 12.752 16.340 1.00 14.24 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? -9.204 11.822 15.652 1.00 15.12 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? -8.615 11.144 14.411 1.00 15.07 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? -7.815 11.735 13.679 1.00 16.24 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? -10.492 12.566 15.303 1.00 13.67 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? -9.011 9.893 14.121 1.00 16.36 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? -8.706 9.316 12.804 1.00 16.54 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? -9.333 10.190 11.716 1.00 18.93 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? -10.524 10.592 11.845 1.00 18.15 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? -9.300 7.854 12.636 1.00 14.46 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? -8.648 6.787 13.516 1.00 14.39 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? -9.210 5.417 13.243 1.00 18.04 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? -10.264 5.308 12.525 1.00 14.72 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? -8.613 4.433 13.721 1.00 14.67 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? -8.566 10.472 10.680 1.00 19.74 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? -9.122 11.132 9.520 1.00 26.31 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? -8.833 10.314 8.274 1.00 29.03 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? -7.687 10.044 7.970 1.00 29.03 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? -8.522 12.544 9.412 1.00 24.07 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? -9.516 13.596 9.018 1.00 28.51 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? -10.712 13.323 8.758 1.00 32.98 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? -9.059 14.857 9.036 1.00 27.89 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? -9.881 9.907 7.566 1.00 35.95 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? -9.689 9.200 6.278 1.00 41.84 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? -9.837 10.134 5.036 1.00 44.90 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? -10.103 11.345 5.178 1.00 44.73 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? -10.599 7.974 6.195 1.00 41.62 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? -11.916 8.274 5.562 1.00 46.97 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? -12.992 7.289 5.957 1.00 50.85 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? -14.291 7.966 5.927 1.00 53.64 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? -14.779 8.721 6.916 1.00 52.58 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? -14.086 8.914 8.047 1.00 50.15 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? -15.961 9.298 6.763 1.00 51.76 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? -9.662 9.548 3.839 1.00 49.34 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? -9.899 10.219 2.518 1.00 52.61 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? -11.101 11.177 2.467 1.00 54.54 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? -12.244 10.791 2.771 1.00 53.78 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? -10.060 9.167 1.414 1.00 53.34 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? -8.865 8.247 1.202 1.00 54.58 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? -8.021 8.699 0.016 1.00 58.06 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? -6.736 7.869 -0.093 1.00 59.68 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? -5.829 8.162 1.066 1.00 61.58 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? -10.832 12.420 2.065 1.00 57.16 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? -11.842 13.506 2.108 1.00 60.37 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? -12.646 13.692 0.801 1.00 62.37 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? -13.038 12.702 0.163 1.00 62.33 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? -11.163 14.833 2.463 1.00 60.10 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? -12.115 15.883 2.548 1.00 61.33 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? -12.882 14.977 0.457 1.00 64.48 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? -13.525 15.484 -0.793 1.00 66.04 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? -13.639 17.016 -0.771 1.00 66.93 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? -12.852 17.715 -1.441 1.00 67.05 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? -14.911 14.888 -1.040 1.00 66.00 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? -14.785 13.485 -1.268 1.00 67.74 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? -14.582 17.523 0.016 1.00 67.73 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? -14.668 18.948 0.289 1.00 68.38 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? -13.562 19.295 1.278 1.00 68.86 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? -13.099 18.432 2.023 1.00 69.47 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? -16.034 19.306 0.873 1.00 68.55 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? -16.405 18.513 2.115 1.00 69.36 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? -17.676 19.048 2.754 1.00 68.92 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? -18.109 18.187 3.929 1.00 69.32 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? -18.683 19.003 5.034 1.00 67.29 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? -13.132 20.551 1.281 1.00 68.69 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? -12.012 20.964 2.130 1.00 68.55 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? -10.702 20.342 1.708 1.00 67.41 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? -9.871 20.036 2.561 1.00 66.94 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? -12.212 20.641 3.624 1.00 69.47 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? -13.640 20.700 4.116 1.00 71.93 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? -14.418 21.774 3.954 1.00 75.43 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? -14.392 19.775 4.822 1.00 74.44 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? -15.627 21.536 4.493 1.00 75.28 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? -15.610 20.306 5.023 1.00 76.69 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? -10.494 20.139 0.406 1.00 66.23 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? -9.350 19.346 -0.046 1.00 64.60 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? -7.994 20.029 0.038 1.00 63.04 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? -6.965 19.383 -0.081 1.00 62.85 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? -9.588 18.831 -1.460 1.00 64.87 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? -9.679 19.896 -2.380 1.00 65.51 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? -7.997 21.334 0.236 1.00 61.09 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? -6.733 22.104 0.246 1.00 58.82 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? -5.935 21.948 1.563 1.00 56.70 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? -4.706 21.981 1.557 1.00 56.42 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? -7.005 23.590 -0.028 1.00 59.52 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? -7.504 24.261 1.133 1.00 58.45 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? -6.648 21.755 2.674 1.00 53.58 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? -6.028 21.640 3.992 1.00 50.75 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? -5.168 20.386 4.169 1.00 47.51 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? -5.442 19.335 3.587 1.00 47.78 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? -7.118 21.643 5.058 1.00 51.58 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? -8.002 22.872 5.255 1.00 53.06 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? -9.413 22.391 5.382 1.00 53.94 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? -7.580 23.673 6.491 1.00 53.40 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? -4.141 20.496 5.009 1.00 43.95 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? -3.357 19.315 5.462 1.00 40.52 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? -4.349 18.319 6.121 1.00 35.49 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? -5.354 18.752 6.708 1.00 33.03 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? -2.311 19.777 6.479 1.00 41.62 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? -1.365 18.671 6.916 1.00 45.37 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? -0.161 18.969 7.047 1.00 50.74 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? -1.778 17.497 7.138 1.00 48.83 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? -4.070 17.017 6.017 1.00 31.34 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? -4.887 16.026 6.745 1.00 27.81 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? -5.005 16.379 8.223 1.00 26.34 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? -6.102 16.400 8.762 1.00 25.13 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? -4.349 14.611 6.527 1.00 27.09 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? -5.299 13.322 7.386 1.00 26.58 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? -3.876 16.642 8.881 1.00 25.32 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? -3.850 16.892 10.318 1.00 26.49 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? -4.762 18.056 10.753 1.00 28.54 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? -5.176 18.114 11.904 1.00 27.48 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? -2.369 17.119 10.784 1.00 28.50 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? -2.258 17.306 12.273 1.00 28.32 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? -1.549 15.933 10.408 1.00 27.67 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? -5.096 18.960 9.816 1.00 29.78 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? -5.897 20.147 10.108 1.00 32.40 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? -7.278 20.095 9.475 1.00 33.76 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? -8.060 21.012 9.609 1.00 34.13 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? -5.192 21.459 9.663 1.00 31.78 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? -3.825 21.757 10.253 1.00 34.29 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? -3.209 22.991 9.530 1.00 34.81 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? -3.947 21.995 11.767 1.00 38.90 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? -7.569 19.019 8.767 1.00 35.73 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? -8.890 18.841 8.208 1.00 38.10 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? -9.991 18.418 9.238 1.00 37.58 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? -9.826 17.499 10.025 1.00 37.91 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? -8.782 17.863 7.066 1.00 39.70 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? -10.097 17.613 6.334 1.00 44.16 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? -10.003 16.295 5.623 1.00 48.00 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? -8.768 16.222 4.843 1.00 50.88 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? -8.193 15.082 4.456 1.00 53.68 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? -8.756 13.914 4.769 1.00 55.76 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? -7.060 15.098 3.754 1.00 53.52 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? -11.133 19.125 9.245 1.00 38.49 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? -12.316 18.622 10.029 1.00 37.86 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? -12.693 17.185 9.619 1.00 37.08 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? -12.729 16.882 8.444 1.00 36.75 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? -13.457 19.589 9.667 1.00 38.33 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? -12.774 20.676 8.756 1.00 38.18 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? -11.312 20.507 8.755 1.00 37.62 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? -12.924 16.312 10.601 1.00 36.33 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? -13.373 14.942 10.306 1.00 35.63 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? -14.871 14.977 9.917 1.00 35.79 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? -15.582 15.935 10.272 1.00 34.83 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? -13.172 14.028 11.517 1.00 34.92 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? -14.043 14.450 12.564 1.00 35.10 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? -11.709 14.089 12.035 1.00 35.18 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? -15.349 13.953 9.204 1.00 36.12 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? -16.738 13.975 8.698 1.00 36.05 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? -17.609 12.757 9.085 1.00 33.85 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? -18.746 12.632 8.637 1.00 35.68 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? -16.756 14.143 7.176 1.00 39.09 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? -16.168 15.494 6.659 1.00 41.37 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? -15.597 15.340 5.245 1.00 46.06 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? -14.350 15.472 5.085 1.00 44.32 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? -16.399 15.052 4.304 1.00 48.56 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? -17.106 11.881 9.925 1.00 30.37 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? -17.932 10.790 10.455 1.00 26.14 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? -18.047 9.691 9.400 1.00 23.67 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? -17.785 9.930 8.214 1.00 25.79 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? -18.422 8.483 9.823 1.00 20.33 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? -18.632 7.403 8.918 1.00 17.34 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? -20.087 6.947 8.933 1.00 16.18 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? -20.817 7.235 9.879 1.00 16.16 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? -17.716 6.247 9.233 1.00 15.48 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? -17.724 5.745 10.670 1.00 11.24 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? -16.941 6.380 11.631 1.00 9.38 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? -18.448 4.534 11.027 1.00 10.10 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? -16.848 5.905 12.935 1.00 11.70 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? -18.408 4.045 12.346 1.00 10.97 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? -17.559 4.702 13.289 1.00 9.70 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? -17.507 4.254 14.576 1.00 8.04 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? -20.508 6.255 7.868 1.00 14.00 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? -21.884 5.805 7.738 1.00 14.25 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? -22.156 4.412 8.348 1.00 15.13 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? -21.655 3.406 7.834 1.00 14.91 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? -22.293 5.795 6.270 1.00 13.67 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? -22.110 7.154 5.602 1.00 16.44 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? -22.325 6.983 4.054 1.00 15.78 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? -23.105 8.088 6.189 1.00 16.69 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? -23.051 4.363 9.348 1.00 12.58 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? -23.453 3.112 9.913 1.00 14.22 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? -24.472 2.476 8.975 1.00 14.82 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? -25.481 3.159 8.612 1.00 13.62 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? -24.104 3.349 11.313 1.00 13.05 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? -24.263 1.172 8.630 1.00 14.95 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? -25.179 0.511 7.715 1.00 14.27 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? -25.556 -0.908 8.184 1.00 16.67 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? -24.832 -1.528 8.992 1.00 14.65 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? -24.588 0.387 6.306 1.00 17.35 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? -24.370 1.807 5.585 1.00 14.33 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? -23.290 -0.472 6.247 1.00 12.58 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? -26.644 -1.459 7.605 1.00 12.87 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? -27.033 -2.821 7.884 1.00 12.89 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? -26.959 -3.519 6.541 1.00 13.73 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? -27.514 -3.004 5.546 1.00 15.27 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? -28.519 -2.853 8.451 1.00 12.22 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? -26.219 -4.613 6.468 1.00 13.04 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? -25.923 -5.253 5.217 1.00 14.27 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? -26.424 -6.715 5.189 1.00 15.32 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? -26.342 -7.452 6.169 1.00 15.06 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? -24.402 -5.203 4.920 1.00 13.60 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? -24.096 -5.552 3.454 1.00 11.48 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? -23.811 -3.875 5.330 1.00 15.42 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? -27.007 -7.103 4.049 1.00 16.58 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? -27.475 -8.463 3.858 1.00 13.56 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? -27.013 -8.986 2.496 1.00 15.42 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? -26.490 -8.243 1.685 1.00 14.29 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? -29.018 -8.510 3.881 1.00 13.71 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? -29.553 -7.946 5.216 1.00 10.07 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? -29.590 -7.698 2.672 1.00 11.30 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? -27.235 -10.307 2.229 1.00 14.07 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? -26.930 -10.855 0.932 1.00 14.34 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? -28.066 -10.496 -0.015 1.00 14.86 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? -29.257 -10.497 0.404 1.00 14.94 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? -26.769 -12.397 0.970 1.00 16.34 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? -25.523 -12.875 1.791 1.00 13.77 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? -24.226 -12.610 0.966 1.00 19.41 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? -23.006 -13.114 1.593 1.00 16.65 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? -22.907 -14.670 1.609 1.00 15.82 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? -27.729 -10.114 -1.223 1.00 17.85 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? -28.824 -9.836 -2.248 1.00 21.58 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? -29.721 -11.068 -2.467 1.00 23.04 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? -30.945 -10.947 -2.536 1.00 24.31 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? -28.241 -9.376 -3.576 1.00 21.88 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? -29.345 -9.112 -4.691 1.00 24.63 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? -28.816 -8.689 -6.061 1.00 30.53 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? -27.508 -9.446 -6.480 1.00 31.79 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? -27.217 -9.356 -7.944 1.00 35.50 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? -29.112 -12.242 -2.468 1.00 23.57 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? -29.898 -13.510 -2.650 1.00 24.85 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? -30.868 -13.832 -1.480 1.00 25.11 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -31.713 -14.705 -1.599 1.00 25.48 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? -28.958 -14.663 -2.878 1.00 22.99 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? -30.743 -13.120 -0.358 1.00 23.35 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -31.652 -13.287 0.772 1.00 23.01 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -32.860 -12.366 0.509 1.00 21.25 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -33.111 -11.400 1.220 1.00 21.44 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? -30.913 -12.973 2.107 1.00 22.11 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -31.604 -13.580 3.311 1.00 26.01 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -32.829 -13.870 3.291 1.00 24.91 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? -30.840 -13.718 4.423 1.00 22.51 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -33.555 -12.630 -0.604 1.00 21.16 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -34.641 -11.781 -1.062 1.00 21.54 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -35.824 -11.646 -0.104 1.00 22.70 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -36.214 -12.600 0.578 1.00 25.02 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -35.167 -12.349 -2.425 1.00 20.60 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -34.092 -12.379 -3.456 1.00 21.87 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -34.553 -13.087 -4.726 1.00 25.54 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -35.763 -12.995 -5.039 1.00 29.07 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -33.721 -13.737 -5.345 1.00 21.67 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -36.415 -10.463 -0.057 1.00 23.18 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -37.554 -10.259 0.959 1.00 24.38 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -37.127 -10.000 2.434 1.00 23.54 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -37.975 -9.833 3.314 1.00 23.02 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -35.830 -9.972 2.722 1.00 20.01 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -35.393 -9.491 4.054 1.00 18.50 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -35.246 -7.966 4.003 1.00 17.11 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -34.497 -7.436 3.191 1.00 18.44 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -34.038 -10.075 4.429 1.00 19.06 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -33.453 -9.601 5.753 1.00 20.73 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -34.474 -9.856 6.932 1.00 22.20 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -32.132 -10.233 5.988 1.00 23.85 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -35.948 -7.262 4.866 1.00 17.77 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -35.760 -5.792 4.954 1.00 17.68 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -35.598 -5.446 6.405 1.00 17.32 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -35.650 -6.360 7.260 1.00 19.78 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -37.015 -5.021 4.384 1.00 17.63 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -38.127 -5.248 5.244 1.00 16.25 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -37.364 -5.534 2.971 1.00 17.55 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -35.485 -4.142 6.695 1.00 17.61 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -35.399 -3.639 8.071 1.00 17.42 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -36.610 -4.104 8.854 1.00 18.33 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -36.518 -4.401 10.059 1.00 16.27 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -35.431 -2.057 8.043 1.00 17.60 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -35.416 -1.493 9.447 1.00 18.32 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -36.467 -1.048 10.141 1.00 20.10 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -34.268 -1.423 10.353 1.00 17.23 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -36.085 -0.690 11.447 1.00 18.67 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -34.732 -0.894 11.572 1.00 16.71 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -32.904 -1.746 10.222 1.00 16.70 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -33.897 -0.698 12.681 1.00 15.87 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -32.082 -1.549 11.316 1.00 13.56 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -32.560 -1.001 12.511 1.00 14.84 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -37.762 -4.092 8.194 1.00 17.96 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -39.035 -4.436 8.853 1.00 19.86 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -39.263 -5.978 9.031 1.00 20.21 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -40.277 -6.395 9.664 1.00 21.94 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -40.180 -3.863 7.992 1.00 22.48 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -40.272 -2.350 8.086 1.00 23.57 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -40.204 -1.782 9.202 1.00 28.49 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -40.360 -1.688 6.968 1.00 26.80 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -38.374 -6.809 8.528 1.00 16.90 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -38.536 -8.259 8.737 1.00 19.06 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -37.329 -8.893 9.416 1.00 17.58 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -37.135 -10.085 9.333 1.00 19.59 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -38.917 -9.018 7.426 1.00 18.06 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -37.918 -8.881 6.437 1.00 21.21 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -36.578 -8.088 10.171 1.00 19.57 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -35.369 -8.577 10.923 1.00 20.99 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -35.662 -9.468 12.138 1.00 20.88 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -34.760 -10.168 12.618 1.00 20.91 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -34.513 -7.378 11.395 1.00 19.62 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -33.679 -6.719 10.265 1.00 21.07 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -33.056 -5.430 10.782 1.00 19.36 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -32.610 -7.710 9.754 1.00 20.06 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -36.893 -9.451 12.647 1.00 21.87 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -37.218 -10.232 13.843 1.00 22.25 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -37.030 -11.739 13.595 1.00 23.11 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -37.430 -12.273 12.537 1.00 19.57 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -38.635 -9.908 14.363 1.00 24.17 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -39.063 -10.913 15.449 1.00 27.89 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -39.642 -10.199 16.617 1.00 34.42 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -39.881 -11.134 17.850 1.00 40.23 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -38.593 -11.794 18.347 1.00 40.07 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -36.351 -12.404 14.559 1.00 22.37 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -36.073 -13.850 14.488 1.00 22.81 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -34.995 -14.235 13.484 1.00 20.29 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -34.736 -15.408 13.298 1.00 18.67 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -37.347 -14.641 14.134 1.00 24.56 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -38.362 -14.645 15.256 1.00 30.79 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -37.938 -14.540 16.434 1.00 33.39 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -39.601 -14.744 14.965 1.00 35.41 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -34.316 -13.261 12.882 1.00 18.97 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -33.203 -13.575 11.967 1.00 17.72 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -31.861 -13.662 12.758 1.00 18.20 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -31.846 -13.441 13.969 1.00 17.74 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -33.125 -12.507 10.928 1.00 16.92 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -34.484 -12.311 10.070 1.00 23.40 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -34.952 -13.681 9.507 1.00 19.55 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -36.170 -13.448 8.509 1.00 24.21 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -37.413 -13.120 9.341 1.00 21.79 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? -30.771 -13.969 12.072 1.00 17.83 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? -29.428 -14.097 12.714 1.00 19.06 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? -28.621 -12.851 12.438 1.00 16.87 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? -28.581 -12.392 11.305 1.00 16.03 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? -28.649 -15.311 12.149 1.00 18.15 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? -29.322 -16.686 12.539 1.00 22.20 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? -28.588 -17.862 11.882 1.00 26.74 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? -28.824 -17.901 10.372 1.00 28.45 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? -28.335 -19.116 9.703 1.00 32.23 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? -27.942 -12.328 13.467 1.00 16.20 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? -27.215 -11.066 13.307 1.00 17.47 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? -25.688 -11.103 13.608 1.00 16.63 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? -25.205 -11.943 14.396 1.00 17.09 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? -27.868 -9.970 14.157 1.00 17.99 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? -27.983 -10.320 15.542 1.00 18.64 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? -24.976 -10.200 12.966 1.00 12.35 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? -23.527 -10.091 13.123 1.00 14.54 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? -23.181 -8.625 13.577 1.00 13.56 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? -23.509 -7.674 12.871 1.00 13.98 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? -22.833 -10.369 11.823 1.00 12.34 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? -23.142 -12.067 11.035 1.00 13.51 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? -22.554 -8.487 14.716 1.00 12.83 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? -22.217 -7.200 15.334 1.00 13.73 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? -20.716 -7.080 15.633 1.00 14.27 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? -20.090 -8.090 15.931 1.00 13.24 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? -22.948 -7.084 16.711 1.00 13.62 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? -24.418 -7.294 16.637 1.00 13.67 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? -25.330 -6.268 16.646 1.00 17.48 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? -25.140 -8.434 16.517 1.00 14.30 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? -26.556 -6.770 16.613 1.00 15.26 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? -26.461 -8.083 16.541 1.00 15.29 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? -20.129 -5.874 15.439 1.00 12.13 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? -18.671 -5.691 15.604 1.00 12.89 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? -18.297 -6.042 17.034 1.00 13.25 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? -17.350 -6.823 17.226 1.00 15.32 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? -18.218 -4.205 15.307 1.00 11.02 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? -18.987 -3.289 16.134 1.00 9.84 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? -18.486 -3.880 13.804 1.00 11.40 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? -19.084 -5.551 17.992 1.00 13.07 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? -18.979 -5.828 19.439 1.00 13.25 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? -20.043 -5.069 20.179 1.00 14.09 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? -20.459 -3.996 19.741 1.00 14.41 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? -17.581 -5.460 20.042 1.00 12.21 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? -20.450 -5.576 21.342 1.00 13.97 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? -21.396 -4.878 22.220 1.00 15.20 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? -20.766 -3.501 22.574 1.00 14.59 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? -19.528 -3.405 22.725 1.00 11.08 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? -21.614 -5.654 23.538 1.00 15.56 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? -22.223 -4.802 24.619 1.00 22.67 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? -22.578 -6.859 23.289 1.00 16.10 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? -21.610 -2.495 22.638 1.00 14.19 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? -21.124 -1.084 22.958 1.00 15.82 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? -20.405 -0.309 21.864 1.00 15.06 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? -19.921 0.835 22.124 1.00 15.11 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? -20.147 -1.100 24.185 1.00 15.22 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? -20.863 -1.212 25.472 1.00 21.33 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? -22.138 -1.104 25.453 1.00 24.76 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? -20.159 -1.421 26.519 1.00 22.32 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? -20.247 -0.867 20.675 1.00 12.72 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? -19.652 -0.085 19.578 1.00 12.83 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? -20.749 0.663 18.774 1.00 11.92 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? -21.900 0.264 18.777 1.00 10.73 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? -18.820 -1.039 18.700 1.00 13.31 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? -17.457 -1.397 19.375 1.00 15.72 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? -16.600 -2.354 18.505 1.00 15.69 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? -16.100 -1.716 17.288 1.00 16.78 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? -15.026 -2.102 16.578 1.00 19.58 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? -14.332 -3.185 16.940 1.00 16.79 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? -14.696 -1.489 15.413 1.00 16.97 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? -20.363 1.767 18.121 1.00 11.34 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? -21.318 2.594 17.429 1.00 9.42 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? -22.161 1.942 16.269 1.00 11.28 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? -23.440 1.877 16.364 1.00 6.82 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? -20.613 3.849 16.856 1.00 8.67 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? -19.945 4.589 17.963 1.00 7.51 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? -21.656 4.838 16.217 1.00 10.41 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? -21.501 1.540 15.203 1.00 8.76 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? -22.246 0.976 14.054 1.00 10.95 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? -22.647 -0.453 14.378 1.00 11.97 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? -23.729 -0.965 13.920 1.00 10.35 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? -21.433 1.026 12.793 1.00 14.49 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? -21.826 -1.127 15.189 1.00 7.31 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? -22.148 -2.545 15.426 1.00 11.84 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? -23.274 -2.774 16.411 1.00 12.17 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? -23.823 -3.914 16.471 1.00 12.74 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? -23.520 -1.823 17.283 1.00 11.14 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? -24.438 -2.072 18.415 1.00 13.02 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? -25.304 -0.909 18.850 1.00 13.65 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? -26.542 -1.024 18.831 1.00 14.76 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? -23.598 -2.498 19.639 1.00 14.17 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? -24.456 -2.929 20.805 1.00 15.02 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? -24.816 -2.148 21.890 1.00 16.12 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? -25.057 -4.215 20.998 1.00 13.58 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? -25.627 -2.886 22.751 1.00 19.72 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? -25.804 -4.149 22.222 1.00 19.04 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? -25.048 -5.405 20.266 1.00 14.66 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? -26.524 -5.238 22.734 1.00 19.70 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? -25.795 -6.521 20.760 1.00 18.01 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? -26.498 -6.435 22.000 1.00 20.00 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? -24.693 0.200 19.312 1.00 12.61 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? -25.485 1.342 19.820 1.00 12.50 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? -26.566 1.828 18.801 1.00 11.47 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? -27.725 2.047 19.169 1.00 11.71 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? -24.589 2.474 20.192 1.00 11.76 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? -23.718 2.132 21.445 1.00 16.24 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? -24.012 1.185 22.169 1.00 14.80 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? -22.624 2.894 21.637 1.00 10.49 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? -26.165 2.014 17.592 1.00 13.55 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? -27.155 2.548 16.581 1.00 15.44 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? -28.260 1.560 16.291 1.00 15.10 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? -29.439 1.845 16.525 1.00 17.13 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? -26.415 2.988 15.272 1.00 16.58 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? -25.517 4.215 15.529 1.00 15.32 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? -27.424 3.279 14.102 1.00 17.26 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? -26.168 5.405 16.114 1.00 21.04 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? -27.923 0.366 15.777 1.00 14.83 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? -29.040 -0.581 15.440 1.00 15.39 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? -29.882 -1.066 16.618 1.00 15.78 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? -31.135 -1.175 16.478 1.00 16.44 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? -28.291 -1.772 14.760 1.00 14.03 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? -26.858 -1.790 15.460 1.00 9.57 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? -26.600 -0.209 15.463 1.00 14.91 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? -29.281 -1.353 17.785 1.00 15.13 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? -30.113 -1.826 18.913 1.00 17.09 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? -30.932 -0.692 19.551 1.00 17.08 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -32.024 -0.940 20.135 1.00 18.60 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? -29.280 -2.537 20.017 1.00 17.05 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? -28.617 -3.827 19.587 1.00 21.40 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? -29.608 -4.946 18.557 1.00 21.57 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? -31.080 -5.050 19.536 1.00 24.21 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? -30.393 0.517 19.507 1.00 16.24 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? -31.122 1.696 19.979 1.00 16.49 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -32.382 1.868 19.091 1.00 17.23 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -33.512 2.018 19.595 1.00 16.95 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -32.186 1.776 17.797 1.00 16.36 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -33.352 1.900 16.845 1.00 17.84 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -34.394 0.830 17.056 1.00 21.10 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -35.572 1.135 17.110 1.00 22.11 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -32.861 1.805 15.423 1.00 14.91 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -31.929 2.898 14.949 1.00 18.63 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -31.332 2.634 13.557 1.00 15.89 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -32.684 4.285 14.958 1.00 21.54 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -33.939 -0.443 17.190 1.00 21.75 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -34.799 -1.555 17.462 1.00 22.08 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -35.609 -1.521 18.745 1.00 22.04 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -36.779 -1.845 18.754 1.00 20.52 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -33.961 -2.891 17.349 1.00 23.13 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -33.616 -3.167 15.863 1.00 21.25 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -34.742 -4.153 17.911 1.00 21.14 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -32.523 -4.250 15.717 1.00 21.36 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -34.975 -1.156 19.847 1.00 23.32 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -35.649 -1.066 21.152 1.00 23.93 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -36.758 -0.012 21.038 1.00 25.89 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -37.863 -0.224 21.500 1.00 26.31 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -34.642 -0.633 22.252 1.00 23.21 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -35.354 0.104 23.441 1.00 21.87 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -33.822 -1.868 22.711 1.00 21.89 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -36.412 1.124 20.440 1.00 26.31 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -37.326 2.220 20.183 1.00 27.57 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -38.472 1.760 19.343 1.00 27.77 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -39.590 1.962 19.700 1.00 26.44 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -36.661 3.436 19.542 1.00 26.81 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -35.896 4.302 20.547 1.00 32.37 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -35.702 3.898 21.651 1.00 31.06 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -35.448 5.456 20.132 1.00 30.59 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -38.175 1.116 18.230 1.00 27.08 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -39.245 0.688 17.298 1.00 28.17 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -40.148 -0.385 17.858 1.00 28.06 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -41.346 -0.401 17.534 1.00 27.51 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -38.682 0.340 15.939 1.00 27.21 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -38.114 1.624 15.230 1.00 28.28 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -37.475 1.318 13.894 1.00 30.56 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -37.719 0.244 13.289 1.00 29.05 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -36.677 2.261 13.394 1.00 25.89 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -39.588 -1.291 18.677 1.00 27.38 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -40.407 -2.373 19.251 1.00 28.57 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -41.151 -1.998 20.581 1.00 30.19 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -42.018 -2.758 21.043 1.00 29.24 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -39.609 -3.655 19.469 1.00 28.90 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -38.584 -3.445 20.467 1.00 27.34 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -38.974 -4.117 18.140 1.00 28.72 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -40.789 -0.871 21.189 1.00 30.00 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -41.269 -0.523 22.526 1.00 31.74 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -40.849 -1.512 23.599 1.00 32.69 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -41.634 -1.829 24.517 1.00 33.27 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -39.634 -2.048 23.477 1.00 30.96 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -39.200 -3.102 24.379 1.00 28.99 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -37.693 -3.129 24.624 1.00 29.22 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -36.891 -3.070 23.685 1.00 28.14 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -39.662 -4.475 23.832 1.00 29.74 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -38.996 -5.568 24.508 1.00 27.94 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -37.320 -3.259 25.893 1.00 29.06 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -35.927 -3.373 26.280 1.00 31.18 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -35.320 -4.759 26.044 1.00 31.84 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -34.134 -4.971 26.281 1.00 32.72 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -35.737 -2.969 27.735 1.00 30.48 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -35.392 -1.192 27.934 1.00 31.17 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -36.144 -5.698 25.590 1.00 32.07 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -35.725 -7.074 25.440 1.00 32.43 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -34.888 -7.279 24.148 1.00 32.51 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -35.173 -8.148 23.314 1.00 30.43 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -36.979 -8.004 25.479 1.00 33.11 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -33.856 -6.450 23.982 1.00 32.90 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -33.027 -6.521 22.788 1.00 32.77 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -32.286 -7.869 22.615 1.00 33.18 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -31.786 -8.158 21.526 1.00 35.07 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -32.017 -5.365 22.749 1.00 31.80 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? -31.051 -5.369 23.888 1.00 31.77 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -31.094 -4.369 24.851 1.00 31.73 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? -30.089 -6.359 23.995 1.00 31.65 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? -30.164 -4.366 25.892 1.00 32.61 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? -29.178 -6.397 25.039 1.00 30.43 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? -29.225 -5.394 26.011 1.00 34.68 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -32.200 -8.683 23.657 1.00 33.17 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -31.518 -9.990 23.543 1.00 34.47 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -32.456 -11.099 23.162 1.00 32.79 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -32.046 -12.255 23.102 1.00 33.29 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -30.735 -10.392 24.824 1.00 34.71 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -31.655 -10.624 26.049 1.00 40.56 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -32.859 -10.170 26.073 1.00 37.57 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -31.123 -11.251 27.021 1.00 42.67 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -33.700 -10.758 22.909 1.00 31.05 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -34.648 -11.739 22.361 1.00 30.39 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -35.183 -11.361 20.974 1.00 27.38 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -36.164 -11.963 20.487 1.00 28.15 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -35.855 -11.920 23.317 1.00 30.19 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -35.494 -11.706 24.771 1.00 36.47 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -36.490 -12.330 25.713 1.00 41.38 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -36.118 -13.396 26.290 1.00 41.87 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -37.605 -11.742 25.860 1.00 38.32 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -34.612 -10.337 20.371 1.00 24.25 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -35.060 -9.906 19.029 1.00 22.82 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -34.537 -10.827 17.918 1.00 20.66 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -35.308 -11.298 17.071 1.00 20.73 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -34.681 -8.433 18.748 1.00 20.69 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -35.260 -7.897 17.457 1.00 21.05 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -36.641 -7.620 17.366 1.00 21.80 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -34.457 -7.652 16.358 1.00 21.10 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -37.221 -7.097 16.206 1.00 20.93 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -34.992 -7.126 15.166 1.00 23.14 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -36.393 -6.855 15.063 1.00 23.93 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -33.213 -11.050 17.890 1.00 18.71 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -32.659 -11.890 16.860 1.00 17.03 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -32.680 -13.339 17.423 1.00 18.49 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -32.514 -13.523 18.620 1.00 21.28 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -31.219 -11.441 16.452 1.00 16.69 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? -31.166 -10.062 15.813 1.00 13.28 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -31.635 -9.871 14.492 1.00 12.96 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? -30.656 -9.012 16.512 1.00 14.88 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -31.578 -8.591 13.877 1.00 14.19 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? -30.540 -7.725 15.967 1.00 17.16 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? -31.049 -7.499 14.602 1.00 20.07 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -32.857 -14.335 16.584 1.00 19.08 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -32.822 -15.722 17.032 1.00 21.24 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -31.455 -16.157 17.578 1.00 21.56 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -31.415 -16.789 18.629 1.00 21.78 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -33.199 -16.661 15.877 1.00 21.16 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -32.265 -16.518 14.821 1.00 21.21 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? -30.363 -15.795 16.875 1.00 21.09 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? -28.986 -16.005 17.306 1.00 21.37 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? -28.154 -14.817 16.780 1.00 20.85 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? -28.548 -14.177 15.795 1.00 17.51 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? -28.425 -17.287 16.656 1.00 23.15 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? -29.013 -18.576 17.206 1.00 26.36 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? -28.539 -19.788 16.406 1.00 31.04 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? -28.723 -19.857 15.210 1.00 31.62 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? -27.889 -20.715 17.067 1.00 29.16 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? -27.029 -14.522 17.444 1.00 16.24 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? -26.132 -13.487 16.983 1.00 15.68 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? -24.652 -13.777 17.358 1.00 14.07 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? -24.363 -14.692 18.147 1.00 12.94 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? -26.478 -12.117 17.635 1.00 15.01 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? -27.847 -11.897 17.705 1.00 16.80 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? -23.752 -12.976 16.794 1.00 14.02 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? -22.380 -12.914 17.316 1.00 12.71 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? -22.294 -11.454 17.670 1.00 13.88 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? -22.316 -10.572 16.774 1.00 13.54 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? -21.378 -13.317 16.259 1.00 14.12 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? -19.611 -13.055 16.977 1.00 14.63 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? -22.193 -11.153 18.955 1.00 13.89 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? -21.990 -9.755 19.431 1.00 9.89 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? -20.868 -9.864 20.528 1.00 10.57 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? -21.162 -9.978 21.723 1.00 11.14 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? -23.223 -9.274 20.044 1.00 10.88 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? -19.620 -9.872 20.115 1.00 10.28 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? -18.529 -10.010 21.093 1.00 10.35 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? -18.673 -9.148 22.288 1.00 12.45 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? -18.960 -7.874 22.191 1.00 11.85 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? -17.265 -9.716 20.265 1.00 10.48 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? -17.668 -10.266 18.806 1.00 9.12 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? -19.112 -9.719 18.717 1.00 10.80 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? -18.417 -9.722 23.453 1.00 14.97 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? -18.513 -8.973 24.741 1.00 14.52 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? -19.790 -9.337 25.497 1.00 15.03 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? -19.969 -8.945 26.640 1.00 13.19 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? -20.663 -10.131 24.862 1.00 16.72 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? -21.931 -10.537 25.536 1.00 17.53 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? -21.660 -11.841 26.337 1.00 16.76 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? -20.578 -12.388 26.273 1.00 17.65 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? -23.063 -10.733 24.548 1.00 14.50 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? -22.654 -12.296 27.063 1.00 16.69 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? -22.534 -13.636 27.771 1.00 20.21 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? -22.316 -14.775 26.784 1.00 18.43 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? -23.186 -15.069 25.955 1.00 19.85 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? -23.792 -13.880 28.645 1.00 19.38 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? -23.710 -15.236 29.421 1.00 21.55 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? -22.665 -15.932 29.391 1.00 18.87 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? -24.677 -15.585 30.071 1.00 20.88 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? -21.138 -15.433 26.838 1.00 19.52 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? -20.767 -16.558 25.922 1.00 20.06 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? -21.751 -17.736 25.809 1.00 20.50 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? -21.714 -18.463 24.818 1.00 19.35 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? -19.445 -17.075 26.550 1.00 19.76 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? -18.858 -15.765 27.110 1.00 21.56 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? -20.042 -15.163 27.802 1.00 19.85 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? -22.654 -17.900 26.774 1.00 21.42 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? -23.635 -18.954 26.674 1.00 22.99 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? -25.006 -18.436 26.257 1.00 23.50 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? -25.961 -19.225 26.157 1.00 23.37 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? -23.768 -19.727 27.991 1.00 23.51 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? -24.283 -18.902 29.146 1.00 25.98 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? -24.194 -19.719 30.483 1.00 26.83 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? -25.130 -19.045 31.531 1.00 30.44 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? -24.460 -17.729 31.935 1.00 26.84 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? -25.111 -17.123 25.997 1.00 21.87 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? -26.370 -16.572 25.543 1.00 21.76 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? -26.518 -16.694 24.038 1.00 21.12 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? -25.539 -16.845 23.309 1.00 18.57 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? -26.511 -15.088 25.972 1.00 22.31 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? -25.621 -14.316 25.190 1.00 19.73 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? -27.744 -16.556 23.555 1.00 21.52 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? -27.965 -16.559 22.119 1.00 22.92 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? -27.205 -15.372 21.437 1.00 21.61 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? -26.907 -15.412 20.275 1.00 21.65 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? -29.474 -16.489 21.834 1.00 25.96 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? -30.127 -15.129 22.112 1.00 27.76 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -31.497 -15.035 21.323 1.00 35.23 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -32.673 -15.470 22.104 1.00 39.34 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -33.960 -15.314 21.715 1.00 43.63 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -34.264 -14.790 20.530 1.00 37.36 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -34.974 -15.692 22.524 1.00 43.76 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? -26.825 -14.351 22.216 1.00 19.63 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? -26.146 -13.210 21.631 1.00 18.04 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? -24.731 -13.583 21.225 1.00 17.32 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? -24.104 -12.884 20.476 1.00 16.97 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? -26.159 -12.005 22.601 1.00 19.16 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? -27.465 -11.138 22.595 1.00 18.10 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? -27.451 -10.088 23.666 1.00 17.29 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? -27.635 -10.436 21.229 1.00 15.46 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? -24.204 -14.675 21.727 1.00 17.05 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? -22.890 -15.168 21.348 1.00 18.01 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? -22.922 -16.466 20.535 1.00 17.67 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? -21.915 -16.934 20.088 1.00 19.43 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? -22.002 -15.395 22.575 1.00 17.79 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? -21.450 -13.936 23.397 1.00 18.01 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? -24.103 -17.034 20.370 1.00 17.17 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? -24.241 -18.356 19.666 1.00 18.47 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? -23.550 -18.500 18.329 1.00 19.09 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? -23.125 -19.619 17.949 1.00 20.77 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? -25.763 -18.798 19.546 1.00 18.97 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? -23.383 -17.404 17.588 1.00 17.43 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? -22.766 -17.462 16.290 1.00 15.31 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? -21.276 -17.218 16.258 1.00 15.30 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? -20.652 -17.406 15.257 1.00 15.88 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? -23.475 -16.486 15.294 1.00 14.90 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? -25.012 -16.665 15.092 1.00 18.34 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? -25.530 -15.618 14.072 1.00 19.35 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? -25.328 -18.049 14.613 1.00 19.25 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? -20.702 -16.692 17.340 1.00 17.98 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? -19.252 -16.365 17.355 1.00 16.49 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? -18.460 -17.630 17.295 1.00 16.88 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? -18.926 -18.682 17.771 1.00 16.89 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? -18.880 -15.602 18.638 1.00 16.23 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? -19.671 -13.887 18.808 1.00 17.23 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? -17.242 -17.549 16.777 1.00 15.90 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? -16.434 -18.694 16.569 1.00 19.16 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? -15.124 -18.847 17.395 1.00 18.82 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? -14.526 -19.916 17.338 1.00 19.40 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? -16.058 -18.811 15.041 1.00 16.65 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? -14.659 -17.818 18.090 1.00 16.47 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? -13.426 -18.022 18.903 1.00 15.02 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? -12.205 -18.005 17.956 1.00 16.83 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? -12.356 -17.618 16.768 1.00 12.17 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? -11.035 -18.346 18.463 1.00 16.10 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? -9.785 -18.307 17.718 1.00 19.70 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? -9.544 -19.678 16.971 1.00 24.14 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? -10.425 -20.515 16.938 1.00 24.49 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? -8.642 -17.976 18.679 1.00 21.03 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? -8.310 -19.108 19.624 1.00 19.94 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? -8.818 -20.282 19.453 1.00 17.29 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? -7.494 -18.856 20.545 1.00 23.28 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? -8.435 -19.843 16.280 1.00 27.32 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? -8.348 -21.014 15.371 1.00 33.45 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? -8.272 -22.333 16.125 1.00 35.49 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? -8.571 -23.385 15.549 1.00 37.57 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? -7.153 -20.909 14.415 1.00 35.04 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? -5.915 -20.500 15.111 1.00 39.31 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? -5.811 -20.704 16.372 1.00 48.92 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? -5.040 -19.957 14.417 1.00 45.46 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? -7.910 -22.284 17.390 1.00 36.04 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? -8.087 -23.410 18.282 1.00 37.17 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? -9.489 -23.596 18.753 1.00 36.02 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? -9.808 -24.597 19.262 1.00 37.14 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? -7.211 -23.301 19.501 1.00 37.23 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? -5.819 -22.843 19.177 1.00 41.69 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? -5.143 -22.289 20.370 1.00 46.01 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? -5.025 -22.959 21.369 1.00 47.04 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? -4.766 -21.037 20.303 1.00 49.62 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? -10.318 -22.616 18.573 1.00 35.33 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? -11.712 -22.656 19.096 1.00 33.50 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? -11.849 -22.086 20.512 1.00 32.90 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? -12.930 -22.141 21.097 1.00 33.96 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? -10.757 -21.536 21.078 1.00 29.71 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? -10.810 -20.901 22.382 1.00 26.95 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? -11.257 -19.417 22.256 1.00 25.09 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? -11.274 -18.877 21.139 1.00 23.83 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? -9.417 -20.932 22.987 1.00 27.50 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? -8.858 -22.264 23.547 1.00 30.23 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? -7.432 -22.083 23.922 1.00 27.30 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? -9.605 -22.685 24.803 1.00 25.38 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? -11.614 -18.801 23.392 1.00 21.63 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? -11.978 -17.353 23.467 1.00 20.49 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? -13.236 -17.014 22.660 1.00 19.67 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? -13.420 -15.848 22.274 1.00 17.60 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? -10.839 -16.491 22.999 1.00 18.79 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? -9.679 -16.386 24.040 1.00 26.78 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? -9.834 -16.786 25.222 1.00 29.69 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? -8.612 -15.922 23.648 1.00 27.18 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? -14.130 -17.994 22.458 1.00 18.77 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? -15.424 -17.674 21.807 1.00 17.74 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? -16.047 -16.397 22.390 1.00 15.87 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? -16.180 -16.254 23.618 1.00 13.38 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? -16.382 -18.839 21.939 1.00 19.11 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? -17.699 -18.618 21.264 1.00 27.54 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? -18.753 -19.568 21.958 1.00 32.24 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? -20.162 -19.350 21.406 1.00 31.40 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? -20.321 -19.654 19.996 1.00 29.72 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? -16.412 -15.470 21.511 1.00 15.86 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? -17.143 -14.269 21.905 1.00 17.16 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? -16.362 -13.268 22.762 1.00 18.03 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? -16.965 -12.466 23.476 1.00 19.26 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? -18.443 -14.653 22.618 1.00 17.14 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? -19.884 -13.682 22.118 1.00 15.57 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? -15.034 -13.297 22.692 1.00 15.50 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? -14.234 -12.290 23.398 1.00 18.75 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? -14.098 -11.047 22.484 1.00 16.09 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? -13.986 -11.180 21.244 1.00 13.29 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? -12.747 -12.789 23.622 1.00 20.28 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? -12.754 -14.009 24.536 1.00 22.43 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? -12.074 -13.139 22.275 1.00 25.22 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? -14.122 -9.834 23.094 1.00 15.75 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? -14.072 -8.642 22.250 1.00 12.51 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? -12.684 -8.144 21.880 1.00 13.81 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? -12.285 -6.955 22.239 1.00 13.35 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? -14.889 -7.627 23.046 1.00 12.74 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? -14.631 -8.015 24.506 1.00 13.59 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? -14.695 -9.549 24.431 1.00 12.74 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? -11.939 -8.959 21.160 1.00 12.27 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? -10.634 -8.603 20.649 1.00 12.96 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? -10.444 -9.383 19.385 1.00 14.02 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? -11.245 -10.311 19.121 1.00 15.93 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? -9.484 -8.796 21.736 1.00 10.31 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? -9.158 -10.273 22.022 1.00 13.00 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? -9.090 -11.107 21.132 1.00 11.24 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? -8.964 -10.580 23.319 1.00 11.16 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? -9.404 -9.054 18.587 1.00 14.62 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? -9.222 -9.624 17.292 1.00 15.24 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? -9.044 -11.144 17.235 1.00 17.78 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? -9.112 -11.679 16.123 1.00 19.16 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? -8.076 -8.945 16.523 1.00 14.88 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? -6.879 -9.074 17.284 1.00 14.36 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? -8.859 -11.824 18.376 1.00 17.14 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? -8.650 -13.271 18.316 1.00 18.14 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? -9.956 -13.966 17.951 1.00 17.86 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? -9.935 -15.113 17.440 1.00 16.79 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? -8.145 -13.819 19.671 1.00 16.11 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? -6.674 -13.474 19.983 1.00 19.82 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? -5.744 -13.814 18.838 1.00 26.01 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? -5.435 -15.368 18.834 1.00 34.11 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? -4.305 -15.698 17.891 1.00 37.27 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? -11.084 -13.327 18.291 1.00 16.91 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? -12.389 -13.834 17.872 1.00 15.76 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? -12.552 -13.613 16.352 1.00 15.81 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? -12.514 -12.464 15.844 1.00 13.40 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? -13.547 -13.171 18.705 1.00 15.57 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? -14.949 -13.208 18.007 1.00 14.15 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? -15.477 -14.666 17.832 1.00 18.78 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? -15.505 -15.442 18.844 1.00 17.39 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? -15.860 -15.028 16.698 1.00 16.91 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? -12.737 -14.703 15.615 1.00 15.40 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? -12.901 -14.660 14.160 1.00 13.41 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? -13.883 -13.609 13.625 1.00 13.01 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? -13.594 -12.967 12.590 1.00 12.88 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? -13.297 -16.080 13.650 1.00 12.19 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? -13.532 -16.100 12.151 1.00 16.36 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? -14.214 -17.523 11.741 1.00 20.58 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? -13.229 -18.441 11.241 1.00 23.73 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? -13.946 -19.729 10.572 1.00 29.14 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? -15.046 -13.445 14.289 1.00 11.77 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? -16.011 -12.485 13.899 1.00 12.21 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? -16.047 -11.151 14.685 1.00 14.54 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? -17.145 -10.474 14.792 1.00 12.53 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? -17.426 -13.113 13.838 1.00 8.40 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? -17.498 -14.324 12.987 1.00 13.02 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? -16.952 -14.336 11.690 1.00 18.53 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? -18.061 -15.527 13.485 1.00 17.59 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? -16.969 -15.525 10.874 1.00 17.18 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? -18.133 -16.677 12.667 1.00 17.91 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? -17.585 -16.676 11.399 1.00 20.99 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? -17.610 -17.853 10.604 1.00 21.48 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? -14.883 -10.720 15.182 1.00 13.32 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? -14.833 -9.476 15.953 1.00 12.00 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? -14.560 -8.285 15.031 1.00 11.44 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? -13.829 -8.403 14.014 1.00 11.63 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? -13.736 -9.563 17.053 1.00 12.46 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? -13.494 -8.209 17.738 1.00 11.20 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? -14.396 -7.739 18.700 1.00 9.41 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? -12.434 -7.388 17.361 1.00 12.67 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? -14.223 -6.486 19.311 1.00 17.02 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? -12.254 -6.047 17.960 1.00 10.91 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? -13.155 -5.660 18.930 1.00 11.82 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? -13.057 -4.400 19.506 1.00 15.64 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? -15.149 -7.138 15.363 1.00 11.89 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? -14.777 -5.926 14.636 1.00 13.23 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? -15.548 -5.775 13.323 1.00 13.48 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? -16.329 -6.633 12.960 1.00 14.02 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? -15.303 -4.649 12.646 1.00 14.04 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? -15.900 -4.414 11.332 1.00 12.53 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? -15.666 -5.659 10.423 1.00 13.66 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? -16.599 -6.139 9.748 1.00 8.78 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? -15.243 -3.231 10.662 1.00 12.00 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? -15.551 -1.881 11.338 1.00 13.16 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? -16.863 -1.453 11.506 1.00 10.71 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? -14.502 -1.093 11.827 1.00 10.30 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? -17.141 -0.186 12.097 1.00 10.38 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? -14.741 0.152 12.410 1.00 9.87 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? -16.074 0.575 12.548 1.00 11.40 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? -16.334 1.804 13.139 1.00 15.71 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? -14.388 -6.050 10.299 1.00 11.47 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? -14.052 -7.119 9.352 1.00 14.95 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? -14.589 -8.483 9.783 1.00 12.90 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? -15.039 -9.258 8.911 1.00 14.35 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? -12.462 -7.217 9.208 1.00 16.98 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? -12.048 -6.038 8.452 1.00 20.94 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? -12.115 -8.464 8.470 1.00 20.56 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? -14.572 -8.777 11.085 1.00 12.99 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? -15.116 -10.068 11.572 1.00 9.82 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? -16.658 -10.129 11.351 1.00 12.94 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? -17.183 -11.171 10.966 1.00 11.74 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? -17.361 -9.033 11.646 1.00 8.93 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? -18.805 -9.024 11.503 1.00 12.24 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? -19.177 -9.123 10.019 1.00 12.50 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? -20.081 -9.863 9.677 1.00 14.88 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? -19.427 -7.694 12.103 1.00 12.02 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? -18.434 -8.453 9.143 1.00 11.72 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? -18.725 -8.554 7.700 1.00 14.54 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? -18.397 -9.972 7.170 1.00 14.48 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? -19.096 -10.485 6.321 1.00 12.40 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? -17.970 -7.490 6.890 1.00 13.92 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? -18.294 -7.511 5.421 1.00 15.94 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? -19.591 -7.245 4.990 1.00 16.54 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? -17.304 -7.844 4.482 1.00 15.04 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? -19.940 -7.292 3.606 1.00 13.51 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? -17.624 -7.925 3.071 1.00 17.53 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? -18.922 -7.629 2.643 1.00 17.65 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? -17.376 -10.598 7.746 1.00 12.55 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? -17.048 -12.043 7.425 1.00 13.75 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? -18.118 -12.995 7.853 1.00 12.89 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? -18.378 -13.996 7.170 1.00 15.35 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? -15.712 -12.449 8.046 1.00 14.34 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? -15.321 -13.940 7.789 1.00 13.98 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? -13.882 -14.201 8.417 1.00 15.01 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? -13.422 -15.542 8.053 1.00 16.42 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? -12.203 -16.001 8.260 1.00 17.23 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? -11.306 -15.250 8.935 1.00 14.37 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? -11.916 -17.244 7.843 1.00 17.48 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? -18.747 -12.698 8.995 1.00 13.87 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? -19.833 -13.458 9.566 1.00 13.81 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? -21.038 -13.473 8.563 1.00 13.48 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? -21.762 -14.499 8.391 1.00 9.33 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? -20.191 -12.879 10.920 1.00 14.44 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? -21.747 -13.326 11.781 1.00 15.67 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? -21.232 -12.363 7.911 1.00 13.78 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? -22.284 -12.265 6.851 1.00 12.15 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? -21.801 -12.980 5.576 1.00 12.79 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? -22.531 -13.702 4.949 1.00 15.00 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? -22.533 -10.787 6.536 1.00 13.23 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? -23.433 -10.529 5.289 1.00 9.85 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? -24.940 -10.923 5.608 1.00 9.75 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? -23.314 -8.963 4.976 1.00 10.36 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? -20.565 -12.736 5.182 1.00 14.74 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? -20.039 -13.272 3.951 1.00 16.28 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? -20.144 -14.814 3.921 1.00 15.43 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? -20.511 -15.393 2.897 1.00 15.16 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? -18.589 -12.832 3.714 1.00 13.96 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? -19.821 -15.440 5.025 1.00 14.80 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? -19.810 -16.905 5.074 1.00 15.49 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? -21.221 -17.411 5.354 1.00 14.73 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? -21.407 -18.576 5.606 1.00 15.85 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? -18.810 -17.357 6.210 1.00 12.84 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? -17.306 -17.052 5.816 1.00 14.38 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? -16.300 -17.448 6.933 1.00 17.65 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? -16.725 -17.760 8.045 1.00 16.85 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? -15.067 -17.400 6.709 1.00 20.31 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? -22.189 -16.484 5.415 1.00 18.90 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? -23.595 -16.761 5.738 1.00 18.28 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? -23.881 -17.368 7.086 1.00 19.94 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? -24.910 -18.129 7.264 1.00 19.35 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? -24.190 -17.693 4.649 1.00 20.64 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? -24.472 -16.957 3.347 1.00 21.68 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? -24.954 -15.779 3.358 1.00 20.86 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? -24.164 -17.563 2.311 1.00 25.61 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? -23.037 -17.053 8.102 1.00 17.31 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? -23.350 -17.461 9.432 1.00 13.85 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? -24.501 -16.650 9.940 1.00 12.55 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? -25.344 -17.124 10.689 1.00 11.47 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? -22.084 -17.270 10.402 1.00 16.57 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? -22.478 -17.494 11.795 1.00 13.05 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? -20.968 -18.283 9.978 1.00 17.34 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? -24.504 -15.366 9.561 1.00 13.08 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? -25.572 -14.458 9.949 1.00 13.53 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? -26.363 -13.981 8.722 1.00 10.82 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? -25.877 -14.029 7.616 1.00 13.03 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? -27.611 -13.550 8.941 1.00 14.12 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? -28.437 -12.927 7.890 1.00 14.11 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? -28.102 -11.432 7.641 1.00 14.48 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? -28.326 -10.882 6.504 1.00 14.46 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? -29.920 -13.000 8.304 1.00 15.93 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? -30.450 -14.436 8.282 1.00 16.30 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? -30.377 -15.087 7.232 1.00 19.91 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? -30.894 -14.923 9.329 1.00 22.70 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? -27.656 -10.733 8.687 1.00 14.08 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? -27.409 -9.295 8.584 1.00 12.21 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? -26.129 -8.944 9.387 1.00 13.58 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? -25.818 -9.604 10.408 1.00 15.92 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? -28.635 -8.524 9.118 1.00 12.84 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? -28.949 -8.821 10.544 1.00 10.59 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? -28.379 -6.932 9.026 1.00 11.49 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? -25.381 -7.951 8.907 1.00 13.73 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? -24.182 -7.498 9.625 1.00 11.29 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? -24.314 -5.946 9.829 1.00 11.16 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? -24.704 -5.220 8.908 1.00 9.53 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? -22.967 -7.762 8.835 1.00 9.35 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? -24.015 -5.492 11.037 1.00 9.44 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? -24.071 -4.035 11.361 1.00 11.00 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? -22.632 -3.535 11.383 1.00 12.39 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? -21.868 -3.811 12.365 1.00 12.03 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? -24.810 -3.874 12.716 1.00 9.02 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? -26.282 -4.333 12.668 1.00 11.30 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? -27.222 -3.610 11.914 1.00 12.72 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? -26.693 -5.525 13.272 1.00 8.40 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? -28.559 -4.040 11.805 1.00 11.40 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? -28.038 -5.983 13.195 1.00 15.11 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? -28.999 -5.265 12.473 1.00 10.97 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? -22.246 -2.820 10.326 1.00 11.30 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? -20.933 -2.315 10.127 1.00 13.20 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? -20.992 -0.923 9.572 1.00 12.44 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? -21.980 -0.253 9.681 1.00 12.72 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? -20.092 -3.216 9.185 1.00 8.38 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? -19.852 -4.622 9.833 1.00 12.92 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? -20.867 -3.416 7.841 1.00 16.56 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? -19.917 -0.496 8.961 1.00 15.62 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? -19.893 0.828 8.328 1.00 17.42 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? -19.651 0.670 6.858 1.00 15.18 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? -19.232 -0.373 6.374 1.00 14.48 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? -18.842 1.755 8.950 1.00 16.15 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? -17.394 1.331 8.588 1.00 18.18 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? -16.323 2.223 9.297 1.00 18.97 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? -14.977 1.511 9.223 1.00 14.44 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? -13.822 2.387 9.583 1.00 20.55 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? -19.991 1.719 6.115 1.00 15.79 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? -19.976 1.675 4.657 1.00 16.43 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? -18.626 1.272 4.081 1.00 17.57 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? -18.550 0.496 3.129 1.00 16.18 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? -20.410 3.023 4.078 1.00 19.62 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? -19.899 3.243 2.668 1.00 21.08 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? -20.456 2.719 1.704 1.00 21.07 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? -18.832 4.023 2.540 1.00 21.90 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? -17.562 1.809 4.665 1.00 14.67 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? -16.211 1.549 4.185 1.00 15.75 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? -15.860 0.029 4.222 1.00 13.84 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? -15.123 -0.458 3.371 1.00 14.70 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? -15.244 2.302 5.084 1.00 16.69 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? -15.559 3.840 5.094 1.00 23.72 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? -16.386 4.298 5.918 1.00 28.30 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? -15.016 4.562 4.233 1.00 24.51 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? -16.331 -0.634 5.225 1.00 13.74 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? -15.967 -2.111 5.440 1.00 14.01 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? -16.445 -2.910 4.197 1.00 14.00 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? -15.734 -3.820 3.707 1.00 14.39 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? -16.661 -2.627 6.710 1.00 11.75 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? -16.295 -1.790 7.840 1.00 11.96 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? -16.303 -4.124 6.991 1.00 10.05 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? -17.664 -2.662 3.744 1.00 16.14 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? -18.155 -3.368 2.577 1.00 16.03 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? -17.210 -3.204 1.361 1.00 16.85 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? -16.756 -4.184 0.768 1.00 16.59 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? -19.531 -2.941 2.206 1.00 17.92 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? -20.033 -3.902 1.017 1.00 21.46 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? -20.519 -3.066 3.363 1.00 17.86 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? -16.861 -1.938 1.035 1.00 16.21 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? -15.970 -1.624 -0.087 1.00 17.17 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? -14.550 -2.160 0.048 1.00 17.46 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? -14.004 -2.696 -0.926 1.00 18.58 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? -15.919 -0.067 -0.329 1.00 18.43 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? -17.216 0.429 -0.807 1.00 21.64 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? -18.395 0.620 -0.074 1.00 22.78 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? -17.572 0.623 -2.176 1.00 22.97 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? -19.434 0.954 -0.926 1.00 20.99 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? -18.959 0.957 -2.212 1.00 25.48 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? -16.847 0.585 -3.371 1.00 22.55 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? -19.629 1.242 -3.411 1.00 26.97 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? -17.541 0.851 -4.571 1.00 26.09 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? -18.899 1.162 -4.570 1.00 28.01 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? -13.951 -2.068 1.256 1.00 16.83 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? -12.606 -2.519 1.438 1.00 16.88 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? -12.409 -4.067 1.463 1.00 17.91 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? -11.278 -4.574 1.467 1.00 16.70 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? -12.048 -1.923 2.763 1.00 18.14 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? -11.977 -0.352 2.635 1.00 17.07 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? -11.557 0.343 3.898 1.00 26.75 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? -11.400 -0.343 4.962 1.00 27.24 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? -11.493 1.635 3.866 1.00 25.47 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? -13.512 -4.799 1.531 1.00 17.63 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? -13.396 -6.286 1.555 1.00 18.78 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? -14.133 -6.959 0.413 1.00 19.26 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? -14.517 -8.168 0.498 1.00 18.52 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? -13.828 -6.850 2.917 1.00 17.30 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? -12.917 -6.321 4.048 1.00 22.54 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? -11.817 -6.839 4.269 1.00 21.28 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? -13.340 -5.197 4.694 1.00 19.05 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? -14.291 -6.215 -0.667 1.00 19.11 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? -14.939 -6.783 -1.879 1.00 19.24 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? -14.147 -6.391 -3.119 1.00 22.26 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? -13.232 -5.549 -3.050 1.00 23.07 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? -16.349 -6.318 -2.005 1.00 17.82 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? -16.398 -4.890 -1.774 1.00 14.66 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? -17.232 -7.008 -0.973 1.00 14.24 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? -14.491 -7.022 -4.264 1.00 23.18 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? -13.932 -6.704 -5.561 1.00 24.29 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? -12.399 -6.645 -5.624 1.00 25.80 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? -11.820 -5.738 -6.244 1.00 26.52 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? -14.564 -5.410 -6.114 1.00 22.74 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? -16.054 -5.623 -6.455 1.00 24.21 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? -16.757 -6.382 -5.747 1.00 27.55 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? -16.524 -5.022 -7.531 1.00 22.00 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? -11.756 -7.571 -4.939 1.00 26.76 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? -10.285 -7.646 -4.965 1.00 27.37 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? -9.591 -6.678 -4.031 1.00 27.22 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? -8.363 -6.638 -4.017 1.00 27.07 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? -10.355 -5.929 -3.221 1.00 27.56 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? -9.685 -4.907 -2.359 1.00 28.78 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? -9.031 -5.568 -1.142 1.00 29.03 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? -8.068 -5.037 -0.528 1.00 28.56 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? -10.608 -3.764 -1.927 1.00 27.47 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? -11.111 -2.911 -3.046 1.00 29.70 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? -10.042 -1.899 -3.528 1.00 36.17 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? -9.317 -1.292 -2.684 1.00 35.67 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? -9.923 -1.709 -4.752 1.00 34.82 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? -9.526 -6.740 -0.827 1.00 29.65 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? -8.850 -7.609 0.144 1.00 31.65 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? -8.444 -8.919 -0.566 1.00 32.42 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? -9.228 -9.439 -1.360 1.00 31.68 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? -9.794 -7.907 1.315 1.00 29.15 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? -9.223 -8.885 2.161 1.00 30.89 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? -7.268 -9.453 -0.246 1.00 33.24 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? -6.865 -10.752 -0.800 1.00 35.65 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? -6.918 -11.863 0.252 1.00 35.87 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? -6.453 -13.015 -0.008 1.00 36.03 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? -5.417 -10.733 -1.387 1.00 36.16 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? -4.490 -10.635 -0.299 1.00 38.43 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? -5.222 -9.528 -2.361 1.00 38.45 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? -7.501 -11.547 1.422 1.00 34.68 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? -7.617 -12.536 2.492 1.00 33.40 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? -8.497 -13.626 1.973 1.00 32.76 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? -9.437 -13.338 1.185 1.00 32.44 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? -8.210 -11.884 3.749 1.00 33.25 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? -8.245 -14.874 2.393 1.00 31.92 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? -8.967 -16.016 1.809 1.00 31.97 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? -10.501 -15.943 1.849 1.00 30.86 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? -11.158 -16.339 0.879 1.00 32.10 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? -8.461 -17.335 2.411 1.00 33.96 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? -9.091 -18.572 1.741 1.00 41.04 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? -10.113 -19.075 2.288 1.00 45.49 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? -8.583 -19.051 0.676 1.00 43.88 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? -11.095 -15.501 2.967 1.00 27.02 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? -12.553 -15.471 3.056 1.00 25.66 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? -13.118 -14.323 2.175 1.00 24.28 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? -14.293 -14.342 1.794 1.00 22.78 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? -13.032 -15.256 4.516 1.00 23.64 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? -12.571 -13.933 5.105 1.00 23.81 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? -11.403 -13.684 5.753 1.00 20.95 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? -13.297 -12.693 5.080 1.00 21.36 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? -11.350 -12.349 6.157 1.00 24.20 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? -12.506 -11.727 5.747 1.00 24.51 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? -14.536 -12.321 4.592 1.00 21.34 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? -12.915 -10.373 5.901 1.00 25.04 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? -14.950 -10.925 4.766 1.00 23.36 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? -14.146 -10.022 5.439 1.00 20.18 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? -12.287 -13.339 1.884 1.00 23.62 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? -12.748 -12.128 1.164 1.00 24.35 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? -12.289 -11.982 -0.314 1.00 26.33 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? -12.996 -11.310 -1.088 1.00 25.65 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? -12.384 -10.957 1.911 1.00 22.68 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? -11.156 -12.627 -0.688 1.00 26.94 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? -10.560 -12.458 -2.022 1.00 28.34 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? -11.565 -12.624 -3.162 1.00 29.23 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? -11.367 -12.077 -4.257 1.00 30.96 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? -9.390 -13.410 -2.225 1.00 26.97 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? -9.793 -14.907 -2.396 1.00 29.16 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? -8.556 -15.808 -2.343 1.00 30.41 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? -8.932 -17.282 -2.442 1.00 28.72 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? -7.687 -18.091 -2.323 1.00 27.50 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? -12.629 -13.382 -2.921 1.00 28.52 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? -13.557 -13.685 -3.964 1.00 28.79 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? -14.971 -13.130 -3.771 1.00 27.54 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? -15.887 -13.575 -4.454 1.00 26.70 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? -13.588 -15.210 -4.215 1.00 30.59 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? -13.987 -15.543 -5.629 1.00 30.20 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? -13.737 -14.768 -6.541 1.00 30.94 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? -14.638 -16.659 -5.811 1.00 30.69 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? -15.134 -12.125 -2.894 1.00 24.55 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? -16.474 -11.507 -2.709 1.00 24.23 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? -16.694 -10.361 -3.717 1.00 22.74 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? -15.765 -9.637 -4.017 1.00 19.93 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? -16.617 -10.936 -1.279 1.00 22.80 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? -16.364 -11.943 -0.117 1.00 22.37 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? -16.227 -11.145 1.213 1.00 19.62 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? -17.521 -12.948 -0.039 1.00 21.37 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? -17.941 -10.205 -4.180 1.00 23.29 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? -18.293 -9.175 -5.160 1.00 23.53 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? -19.385 -8.287 -4.578 1.00 22.47 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? -20.364 -8.790 -4.099 1.00 22.21 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? -18.761 -9.807 -6.465 1.00 25.22 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? -17.729 -10.731 -7.175 1.00 33.03 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? -16.396 -10.003 -7.503 1.00 35.53 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? -15.676 -10.670 -8.656 1.00 40.10 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? -15.321 -9.551 -9.670 1.00 45.49 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? -19.216 -6.972 -4.678 1.00 23.28 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? -20.159 -6.002 -4.077 1.00 25.72 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? -21.600 -6.177 -4.536 1.00 26.40 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? -22.547 -5.911 -3.799 1.00 24.77 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? -19.771 -4.617 -4.567 1.00 27.39 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? -19.023 -3.797 -3.606 1.00 29.93 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? -18.202 -2.745 -4.391 1.00 28.19 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? -16.841 -2.787 -3.885 1.00 26.28 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? -15.785 -2.314 -4.535 1.00 28.98 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? -15.951 -1.733 -5.768 1.00 20.76 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? -14.579 -2.392 -3.930 1.00 23.12 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? -21.782 -6.611 -5.758 1.00 26.91 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? -23.101 -6.777 -6.299 1.00 29.03 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? -23.892 -7.873 -5.578 1.00 27.47 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? -25.080 -7.928 -5.677 1.00 27.80 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? -23.054 -7.041 -7.780 1.00 29.37 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? -23.661 -5.937 -8.612 1.00 35.03 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? -25.084 -5.706 -8.220 1.00 39.36 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? -25.377 -4.576 -7.837 1.00 40.01 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? -25.880 -6.654 -8.285 1.00 39.42 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? -23.202 -8.698 -4.815 1.00 25.14 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? -23.881 -9.760 -4.053 1.00 23.47 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? -24.457 -9.313 -2.709 1.00 20.89 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? -25.077 -10.108 -1.974 1.00 19.93 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? -22.978 -11.004 -3.905 1.00 23.75 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? -22.661 -11.674 -5.262 1.00 24.95 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? -23.478 -11.560 -6.194 1.00 23.74 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? -21.566 -12.236 -5.411 1.00 26.55 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? -24.339 -8.029 -2.432 1.00 19.62 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? -24.773 -7.429 -1.174 1.00 19.92 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? -25.760 -6.277 -1.386 1.00 19.22 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? -25.702 -5.596 -2.402 1.00 18.70 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? -23.536 -6.875 -0.426 1.00 19.88 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? -22.584 -7.953 -0.005 1.00 20.04 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? -22.797 -8.666 1.184 1.00 19.21 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? -21.520 -8.305 -0.818 1.00 18.89 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? -21.909 -9.719 1.578 1.00 19.47 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? -20.631 -9.372 -0.449 1.00 22.08 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? -20.812 -10.039 0.777 1.00 16.51 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? -26.621 -6.082 -0.406 1.00 18.10 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? -27.554 -4.990 -0.340 1.00 18.22 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? -27.520 -4.309 1.038 1.00 17.37 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? -27.202 -4.930 2.027 1.00 17.55 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? -29.009 -5.444 -0.635 1.00 16.87 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? -29.223 -5.875 -2.093 1.00 17.65 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? -29.118 -4.657 -3.016 1.00 22.89 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? -29.468 -5.031 -4.395 1.00 26.11 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? -28.553 -5.244 -5.325 1.00 28.31 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? -27.261 -5.147 -5.002 1.00 27.81 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? -28.918 -5.559 -6.564 1.00 26.29 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? -27.845 -3.012 1.066 1.00 15.85 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? -28.026 -2.283 2.302 1.00 14.32 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? -29.485 -2.303 2.665 1.00 14.19 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? -30.353 -2.245 1.737 1.00 16.32 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? -27.518 -0.850 2.139 1.00 12.71 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? -26.083 -0.644 1.607 1.00 13.49 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? -25.771 0.901 1.573 1.00 12.79 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? -25.079 -1.298 2.551 1.00 12.72 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? -29.805 -2.335 3.953 1.00 13.44 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? -31.204 -2.144 4.413 1.00 14.40 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -31.465 -0.679 4.841 1.00 14.48 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? -30.796 -0.164 5.746 1.00 13.78 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -31.553 -3.079 5.541 1.00 13.63 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? -31.246 -4.568 5.359 1.00 15.71 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -31.543 -5.305 6.629 1.00 11.49 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -32.148 -5.063 4.197 1.00 16.10 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -32.459 -0.001 4.228 1.00 13.11 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -32.760 1.380 4.589 1.00 13.83 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -33.897 1.404 5.574 1.00 16.24 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -34.729 0.444 5.666 1.00 17.27 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -33.161 2.189 3.284 1.00 16.04 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -32.294 1.732 1.809 1.00 18.84 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -33.982 2.477 6.372 1.00 17.17 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -34.964 2.536 7.419 1.00 17.83 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -36.420 2.652 6.904 1.00 21.01 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -37.376 2.359 7.651 1.00 21.41 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -34.650 3.693 8.339 1.00 18.42 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -33.418 3.541 9.269 1.00 14.04 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -33.197 4.835 9.946 1.00 14.97 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -33.653 2.409 10.300 1.00 18.41 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -36.588 3.032 5.659 1.00 22.20 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -37.979 3.010 5.073 1.00 25.28 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -38.446 1.665 4.492 1.00 25.76 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -39.465 1.600 3.781 1.00 27.50 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -38.125 4.085 3.989 1.00 25.04 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -37.303 3.819 2.756 1.00 23.86 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -36.633 2.799 2.607 1.00 25.95 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -37.317 4.689 1.852 1.00 29.50 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -37.733 0.596 4.777 1.00 24.00 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -38.201 -0.714 4.319 1.00 24.33 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -37.635 -1.171 2.994 1.00 23.41 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -37.803 -2.347 2.629 1.00 24.72 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -36.910 -0.297 2.302 1.00 22.63 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -36.339 -0.598 1.032 1.00 22.32 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -34.930 -1.172 1.099 1.00 21.78 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -34.236 -1.041 2.127 1.00 23.19 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -36.294 0.674 0.144 1.00 24.32 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -35.321 1.621 0.658 1.00 19.87 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -37.741 1.323 0.003 1.00 22.57 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -34.469 -1.723 -0.018 1.00 21.13 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -33.114 -2.308 -0.096 1.00 20.27 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -32.355 -1.605 -1.250 1.00 19.89 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -32.919 -1.402 -2.369 1.00 18.64 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -33.218 -3.809 -0.411 1.00 18.16 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -33.802 -4.665 0.655 1.00 19.85 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -34.480 -5.933 0.058 1.00 22.14 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -33.558 -6.736 -0.759 1.00 19.47 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -32.959 -7.862 -0.376 1.00 20.08 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -33.079 -8.296 0.870 1.00 20.85 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -32.169 -8.521 -1.230 1.00 22.09 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? -31.095 -1.284 -1.036 1.00 16.98 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? -30.302 -0.655 -2.066 1.00 18.17 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? -28.946 -1.230 -2.293 1.00 19.72 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? -28.346 -1.811 -1.358 1.00 21.07 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? -30.128 0.907 -1.747 1.00 18.20 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -31.410 1.704 -1.759 1.00 21.92 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -31.106 3.196 -1.776 1.00 24.65 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -32.202 4.052 -1.179 1.00 28.34 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -33.617 3.573 -1.503 1.00 31.18 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? -28.366 -0.991 -3.485 1.00 18.75 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? -26.974 -1.315 -3.786 1.00 20.37 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? -26.000 -0.605 -2.849 1.00 19.40 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? -26.301 0.486 -2.356 1.00 18.88 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? -26.785 -0.830 -5.235 1.00 19.91 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? -28.209 -1.032 -5.841 1.00 21.56 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? -29.128 -0.605 -4.705 1.00 21.32 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? -24.859 -1.217 -2.583 1.00 20.58 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? -23.931 -0.648 -1.584 1.00 21.82 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? -23.327 0.629 -2.072 1.00 23.65 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? -22.489 1.218 -1.396 1.00 25.54 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? -22.849 -1.629 -1.190 1.00 22.72 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? -23.480 -2.972 -0.741 1.00 19.40 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? -21.792 -1.842 -2.353 1.00 20.90 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? -23.752 1.079 -3.272 1.00 23.39 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? -23.198 2.333 -3.830 1.00 24.05 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? -24.033 3.499 -3.364 1.00 23.17 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? -23.654 4.658 -3.572 1.00 22.92 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? -23.171 2.314 -5.354 1.00 25.16 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? -24.433 1.870 -5.824 1.00 25.69 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? -22.076 1.335 -5.871 1.00 28.22 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? -25.166 3.185 -2.715 1.00 21.30 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? -26.110 4.177 -2.245 1.00 21.59 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? -26.080 4.447 -0.763 1.00 20.58 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? -27.095 4.805 -0.194 1.00 19.79 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? -27.544 3.768 -2.639 1.00 22.22 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? -27.656 3.357 -4.119 1.00 23.83 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? -27.074 4.408 -4.999 1.00 31.88 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? -27.490 5.582 -4.871 1.00 33.75 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? -26.153 4.079 -5.791 1.00 35.25 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? -24.943 4.177 -0.097 1.00 19.12 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? -24.918 4.324 1.336 1.00 16.71 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? -25.373 5.718 1.804 1.00 18.14 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? -26.008 5.858 2.841 1.00 16.92 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? -23.552 4.000 1.863 1.00 19.89 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? -25.093 6.750 1.012 1.00 18.78 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? -25.502 8.107 1.388 1.00 19.79 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? -27.010 8.284 1.551 1.00 18.85 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? -27.460 9.247 2.199 1.00 18.18 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? -24.900 9.147 0.433 1.00 19.53 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? -24.748 10.540 1.067 1.00 27.95 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? -23.782 11.465 0.344 1.00 31.61 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? -23.612 12.607 0.759 1.00 37.31 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? -23.145 11.000 -0.722 1.00 31.56 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? -27.811 7.445 0.885 1.00 18.79 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? -29.281 7.567 1.061 1.00 19.19 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? -29.864 6.323 1.700 1.00 20.17 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? -31.112 6.094 1.694 1.00 22.11 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? -29.954 7.860 -0.309 1.00 20.55 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? -29.425 6.939 -1.276 1.00 25.46 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? -29.005 5.474 2.292 1.00 17.35 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? -29.505 4.285 2.909 1.00 14.89 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? -28.556 3.825 4.073 1.00 17.32 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? -27.979 2.726 3.999 1.00 17.66 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? -29.589 3.183 1.851 1.00 15.33 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? -30.341 1.668 2.354 1.00 16.45 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? -28.500 4.605 5.156 1.00 16.41 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? -27.681 4.268 6.323 1.00 16.39 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? -28.589 4.406 7.567 1.00 18.40 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? -29.728 4.857 7.481 1.00 14.96 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? -26.512 5.210 6.459 1.00 15.03 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? -26.877 6.656 6.331 1.00 13.55 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? -26.861 7.316 5.117 1.00 16.12 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? -27.266 7.569 7.255 1.00 14.44 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? -27.196 8.581 5.300 1.00 14.08 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? -27.481 8.748 6.581 1.00 15.45 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? -28.047 3.997 8.708 1.00 16.12 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? -28.752 4.037 9.948 1.00 16.28 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? -28.372 5.285 10.684 1.00 15.51 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? -29.168 5.846 11.422 1.00 16.81 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? -28.443 2.799 10.834 1.00 14.21 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? -28.632 1.414 10.233 1.00 16.43 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? -28.575 0.357 11.357 1.00 15.99 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? -30.036 1.287 9.487 1.00 15.55 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? -27.139 5.717 10.490 1.00 16.69 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? -26.672 6.915 11.147 1.00 16.48 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? -25.325 7.358 10.619 1.00 16.79 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? -24.653 6.591 9.949 1.00 13.90 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? -26.594 6.643 12.734 1.00 16.18 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? -24.937 8.610 10.979 1.00 13.20 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? -23.654 9.093 10.728 1.00 15.17 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? -22.934 8.980 12.130 1.00 15.86 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? -23.423 9.425 13.135 1.00 14.85 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? -23.708 10.621 10.319 1.00 16.74 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? -22.308 11.179 10.151 1.00 17.59 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? -24.468 10.795 9.009 1.00 15.52 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? -21.784 8.358 12.159 1.00 17.06 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? -21.095 8.117 13.444 1.00 14.91 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? -19.814 8.955 13.562 1.00 16.27 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? -19.098 9.161 12.591 1.00 13.30 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? -20.735 6.665 13.490 1.00 16.23 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? -19.458 9.340 14.808 1.00 17.20 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? -18.212 10.103 15.021 1.00 16.22 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? -16.972 9.235 14.843 1.00 16.17 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? -16.952 8.112 15.302 1.00 18.40 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? -18.350 10.589 16.487 1.00 17.91 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? -19.187 9.429 17.182 1.00 18.34 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? -20.189 9.041 16.073 1.00 15.48 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? -15.970 9.752 14.149 1.00 12.59 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? -14.736 9.000 13.870 1.00 15.65 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? -14.073 8.432 15.151 1.00 12.51 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? -14.164 9.033 16.237 1.00 12.18 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? -13.705 9.926 13.173 1.00 16.29 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? -14.034 10.220 11.716 1.00 22.51 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? -15.185 10.217 11.296 1.00 28.19 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? -13.010 10.512 10.937 1.00 22.13 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? -13.493 7.255 15.043 1.00 11.03 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? -12.733 6.679 16.144 1.00 10.63 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? -11.698 7.750 16.550 1.00 10.05 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? -11.265 8.549 15.709 1.00 11.96 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? -12.037 5.399 15.700 1.00 11.08 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? -13.003 4.228 15.557 1.00 11.63 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? -12.563 2.902 15.496 1.00 10.83 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? -14.366 4.183 15.477 1.00 10.27 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? -13.604 2.086 15.437 1.00 10.62 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? -14.719 2.802 15.381 1.00 7.38 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? -11.325 7.766 17.813 1.00 12.04 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? -10.369 8.773 18.281 1.00 12.11 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? -9.516 8.283 19.483 1.00 11.97 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? -9.897 7.402 20.217 1.00 11.91 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? -11.078 10.117 18.667 1.00 10.14 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? -8.316 8.864 19.602 1.00 10.26 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? -7.460 8.611 20.720 1.00 9.50 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? -7.941 9.290 21.996 1.00 11.14 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? -8.233 10.534 22.002 1.00 11.71 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? -5.984 9.086 20.374 1.00 9.02 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? -5.024 8.871 21.632 1.00 10.83 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? -5.459 8.372 19.188 1.00 9.57 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? -7.949 8.584 23.136 1.00 11.24 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? -8.254 9.174 24.385 1.00 12.18 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? -7.044 9.010 25.352 1.00 14.50 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? -6.211 8.089 25.191 1.00 13.78 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? -9.545 8.557 25.030 1.00 13.35 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? -10.784 8.667 24.020 1.00 13.34 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? -9.284 7.092 25.427 1.00 15.17 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? -6.982 9.869 26.357 1.00 13.25 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? -5.969 9.764 27.386 1.00 15.11 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? -6.445 10.492 28.619 1.00 16.43 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? -7.437 11.230 28.595 1.00 15.89 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? -4.627 10.323 26.918 1.00 12.10 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? -4.684 11.805 27.007 1.00 13.74 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? -5.718 10.313 29.732 1.00 19.83 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? -5.983 11.191 30.888 1.00 19.60 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? -5.726 12.607 30.513 1.00 20.95 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? -4.790 12.936 29.731 1.00 19.01 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? -5.009 10.872 32.034 1.00 23.05 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? -5.430 9.773 32.912 1.00 20.53 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? -4.526 10.043 34.199 1.00 20.66 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? -4.623 8.987 35.119 1.00 23.05 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? -3.946 8.987 36.266 1.00 23.94 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? -4.094 7.961 37.056 1.00 16.35 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? -3.239 10.105 36.649 1.00 20.94 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? -6.562 13.490 31.056 1.00 20.50 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? -6.400 14.910 30.806 1.00 22.44 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? -4.998 15.393 31.151 1.00 22.23 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? -4.401 16.225 30.429 1.00 23.27 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? -7.490 15.665 31.639 1.00 23.83 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? -7.311 17.031 31.440 1.00 30.13 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? -4.400 14.851 32.205 1.00 22.86 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? -3.049 15.294 32.605 1.00 24.64 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? -1.927 14.821 31.676 1.00 25.10 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? -0.793 15.286 31.818 1.00 25.02 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? -2.735 14.917 34.112 1.00 26.65 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? -2.819 13.377 34.417 1.00 32.26 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? -2.693 12.562 33.506 1.00 39.73 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? -2.998 12.979 35.590 1.00 34.42 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? -2.235 13.890 30.739 1.00 20.82 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? -1.225 13.377 29.817 1.00 20.29 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? -1.516 13.784 28.341 1.00 18.32 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? -0.716 13.589 27.494 1.00 16.37 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? -1.192 11.806 29.905 1.00 19.46 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? -0.608 11.293 31.288 1.00 22.35 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 0.932 11.605 31.364 1.00 17.57 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 1.662 10.682 30.499 1.00 20.44 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 2.929 10.911 30.081 1.00 25.38 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 3.575 12.052 30.430 1.00 22.70 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 3.573 10.005 29.319 1.00 21.69 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? -2.698 14.382 28.105 1.00 18.67 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? -3.181 14.726 26.748 1.00 17.41 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? -2.185 15.464 25.884 1.00 18.18 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? -1.941 15.097 24.727 1.00 17.43 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? -4.415 15.526 26.861 1.00 14.15 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? -1.586 16.509 26.442 1.00 18.56 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? -0.627 17.314 25.725 1.00 20.49 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 0.595 16.542 25.311 1.00 21.15 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 1.057 16.684 24.164 1.00 20.92 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? -0.189 18.585 26.659 1.00 21.09 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 1.159 15.735 26.218 1.00 21.18 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 2.388 14.959 25.866 1.00 23.12 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 2.012 13.832 24.852 1.00 21.57 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 2.759 13.516 23.909 1.00 22.00 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 2.985 14.259 27.076 1.00 24.96 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 3.416 15.182 28.173 1.00 36.67 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 4.388 16.147 27.992 1.00 44.06 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 3.052 15.251 29.484 1.00 42.76 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 4.588 16.781 29.140 1.00 47.32 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 3.796 16.251 30.061 1.00 44.58 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 0.855 13.240 25.066 1.00 21.12 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 0.374 12.199 24.103 1.00 22.29 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 0.197 12.792 22.687 1.00 20.79 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 0.670 12.258 21.702 1.00 21.62 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? -0.953 11.504 24.614 1.00 21.30 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? -1.487 10.453 23.535 1.00 19.99 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? -0.737 10.809 25.945 1.00 15.73 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? -0.434 13.928 22.613 1.00 22.97 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? -0.612 14.610 21.333 1.00 23.63 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 0.739 14.880 20.583 1.00 24.65 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 0.881 14.530 19.407 1.00 24.49 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? -1.362 15.925 21.529 1.00 23.97 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? -1.758 16.583 20.214 1.00 25.61 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? -2.313 17.994 20.369 1.00 35.15 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? -2.344 18.517 21.520 1.00 35.98 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? -2.705 18.637 19.322 1.00 36.53 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 1.704 15.491 21.266 1.00 24.40 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 3.006 15.801 20.658 1.00 26.15 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 3.796 14.586 20.148 1.00 24.18 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 4.335 14.623 19.037 1.00 23.72 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 3.909 16.619 21.645 1.00 27.95 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 4.201 15.931 22.927 1.00 34.10 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 5.560 16.363 23.586 1.00 43.29 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 5.603 16.761 24.759 1.00 45.12 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 6.653 16.273 22.818 1.00 44.86 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 3.826 13.499 20.935 1.00 21.98 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 4.474 12.276 20.568 1.00 20.02 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 3.812 11.657 19.338 1.00 19.14 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 4.451 11.263 18.394 1.00 19.71 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 4.455 11.262 21.739 1.00 18.80 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 4.818 9.847 21.258 1.00 16.58 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 5.501 11.727 22.861 1.00 21.99 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 2.502 11.539 19.380 1.00 19.43 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 1.736 11.056 18.183 1.00 17.49 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 1.917 11.842 16.897 1.00 18.86 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 2.081 11.282 15.802 1.00 19.79 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 0.252 10.988 18.553 1.00 16.27 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? -0.120 9.753 19.409 1.00 18.80 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? -1.618 9.781 19.698 1.00 12.43 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 0.307 8.370 18.707 1.00 14.00 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 1.882 13.158 16.980 1.00 20.54 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 2.151 13.987 15.790 1.00 19.62 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 3.506 13.715 15.179 1.00 20.21 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 3.631 13.603 13.923 1.00 20.90 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 2.025 15.516 16.143 1.00 19.41 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 0.615 15.957 16.547 1.00 19.09 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 0.565 17.479 16.930 1.00 24.27 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? -0.362 15.654 15.376 1.00 23.19 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 4.523 13.569 16.006 1.00 19.28 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 5.830 13.184 15.503 1.00 21.71 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 5.888 11.690 15.051 1.00 22.44 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 6.568 11.336 14.082 1.00 22.28 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 6.888 13.411 16.582 1.00 22.04 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 8.268 13.036 16.131 1.00 29.77 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 9.079 12.160 16.831 1.00 36.68 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 8.967 13.383 15.015 1.00 31.49 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 10.234 12.034 16.195 1.00 33.46 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 10.190 12.761 15.095 1.00 31.81 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 5.182 10.806 15.762 1.00 20.98 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 5.248 9.376 15.375 1.00 18.25 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 4.625 9.183 14.002 1.00 20.51 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 5.126 8.382 13.220 1.00 21.51 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 4.545 8.493 16.427 1.00 20.84 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 5.326 8.334 17.768 1.00 17.95 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 6.693 7.745 17.496 1.00 18.82 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 6.806 6.628 17.029 1.00 19.14 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 7.736 8.503 17.763 1.00 22.24 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 3.517 9.871 13.696 1.00 21.29 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 2.900 9.712 12.381 1.00 22.72 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 3.727 10.373 11.232 1.00 23.08 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 3.640 9.941 10.080 1.00 21.88 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 1.418 10.133 12.366 1.00 22.30 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 1.127 11.651 12.439 1.00 24.21 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? -0.353 11.912 12.343 1.00 24.14 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? -1.153 10.985 12.090 1.00 22.73 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? -0.756 13.170 12.536 1.00 18.70 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 4.610 11.309 11.587 1.00 24.75 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 5.471 11.929 10.604 1.00 26.20 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 6.483 10.880 10.153 1.00 27.27 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 6.917 10.896 8.972 1.00 29.28 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 6.206 13.134 11.183 1.00 27.98 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 6.827 9.977 11.067 1.00 24.65 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 7.742 8.864 10.790 1.00 25.69 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 7.057 7.618 10.187 1.00 25.01 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 7.609 6.989 9.258 1.00 26.23 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 8.445 8.414 12.089 1.00 25.98 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 9.526 9.365 12.691 1.00 27.64 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 9.999 8.816 14.019 1.00 28.89 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 10.721 9.446 11.745 1.00 27.24 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 5.858 7.271 10.682 1.00 22.72 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 5.264 5.978 10.321 1.00 22.17 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 3.860 6.069 9.726 1.00 23.40 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 3.273 5.018 9.376 1.00 21.83 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 5.251 5.025 11.538 1.00 21.28 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 6.595 4.936 12.249 1.00 16.80 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 7.732 4.533 11.558 1.00 20.77 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 6.707 5.302 13.564 1.00 18.34 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 8.994 4.458 12.203 1.00 22.03 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 7.949 5.266 14.245 1.00 19.05 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 9.096 4.874 13.569 1.00 20.35 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 3.332 7.275 9.572 1.00 21.83 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 1.981 7.411 9.022 1.00 24.68 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 1.952 7.270 7.519 1.00 25.77 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 2.928 6.822 6.923 1.00 26.12 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 0.838 7.635 6.908 1.00 29.09 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 0.594 7.337 5.491 1.00 33.07 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 1.685 7.625 4.465 1.00 35.04 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 1.994 6.753 3.614 1.00 38.37 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? -0.734 7.882 5.026 1.00 33.00 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? -1.112 7.362 3.578 1.00 35.70 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? -2.606 7.589 3.222 1.00 37.80 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? -2.876 7.064 1.764 1.00 42.35 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? -1.951 7.821 0.806 1.00 41.28 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 2.280 8.807 4.509 1.00 36.24 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 3.512 9.026 3.701 1.00 37.40 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 4.689 9.262 4.634 1.00 35.72 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 5.598 10.008 4.300 1.00 35.84 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 3.394 10.298 2.810 1.00 38.51 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 2.246 10.220 1.824 1.00 43.08 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 2.371 9.596 0.755 1.00 45.06 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 1.110 10.860 2.169 1.00 46.15 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 4.638 8.686 5.833 1.00 34.76 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 5.679 8.908 6.814 1.00 32.81 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 7.040 8.584 6.216 1.00 32.68 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 7.134 7.800 5.273 1.00 30.67 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 8.112 9.105 6.836 1.00 31.44 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 9.432 8.960 6.237 1.00 31.55 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 10.072 7.590 6.414 1.00 32.08 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 11.066 7.298 5.768 1.00 31.61 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 10.368 10.098 6.677 1.00 33.14 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 10.689 10.156 8.122 1.00 33.63 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 11.648 11.323 8.401 1.00 38.52 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 12.018 11.424 9.933 1.00 37.21 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 12.973 12.563 10.305 1.00 30.95 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 9.491 6.727 7.253 1.00 30.99 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 9.956 5.337 7.313 1.00 31.27 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 8.876 4.301 7.013 1.00 29.20 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 9.040 3.150 7.314 1.00 29.81 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 10.628 5.022 8.647 1.00 33.22 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 11.668 6.094 9.053 1.00 38.47 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 12.612 6.398 8.309 1.00 39.24 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 11.508 6.635 10.256 1.00 41.14 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 7.773 4.732 6.400 1.00 29.25 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 6.720 3.829 5.949 1.00 29.19 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 6.639 4.003 4.456 1.00 30.59 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 6.510 5.121 3.979 1.00 31.19 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 5.372 4.159 6.613 1.00 27.91 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 3.863 3.462 5.767 1.00 23.85 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 6.650 2.899 3.695 1.00 33.57 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 6.642 1.472 4.097 1.00 34.25 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 7.990 0.847 4.499 1.00 36.26 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 8.026 -0.320 4.937 1.00 36.21 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 6.090 0.781 2.854 1.00 34.33 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 6.624 1.677 1.713 1.00 34.98 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 6.364 3.054 2.245 1.00 33.49 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 9.091 1.591 4.352 1.00 37.17 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 10.425 1.002 4.570 1.00 39.05 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 10.564 0.211 5.863 1.00 38.94 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 10.980 -0.975 5.835 1.00 37.78 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 11.501 2.087 4.479 1.00 40.88 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 12.898 1.499 4.677 1.00 45.63 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 13.288 0.681 3.777 1.00 48.45 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 13.623 1.913 5.663 1.00 44.33 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 10.227 0.865 6.985 1.00 37.20 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 10.481 0.269 8.298 1.00 36.98 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 9.285 -0.098 9.178 1.00 35.48 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 9.304 -1.145 9.837 1.00 36.63 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 11.367 1.186 9.133 1.00 38.41 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 12.827 1.152 8.667 1.00 40.27 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 13.572 2.348 9.149 1.00 43.55 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 15.038 2.255 8.736 1.00 49.20 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 15.694 1.020 9.282 1.00 51.51 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 8.239 0.722 9.156 1.00 31.29 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 7.033 0.405 9.876 1.00 27.49 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 5.910 1.335 9.402 1.00 26.18 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 6.151 2.553 9.213 1.00 24.97 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 7.288 0.595 11.392 1.00 27.00 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 6.058 0.338 12.265 1.00 24.19 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 5.522 -0.939 12.365 1.00 24.69 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 5.473 1.374 12.977 1.00 21.38 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 4.381 -1.186 13.157 1.00 22.48 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 4.341 1.169 13.737 1.00 23.48 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 3.804 -0.167 13.838 1.00 23.73 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 4.716 0.764 9.253 1.00 24.53 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 3.504 1.504 8.922 1.00 23.87 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 2.478 1.362 10.048 1.00 23.27 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 1.922 0.287 10.274 1.00 20.05 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 2.913 1.005 7.602 1.00 26.31 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 3.875 1.451 6.138 1.00 25.73 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 2.244 2.466 10.748 1.00 22.66 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 1.366 2.534 11.873 1.00 22.56 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? -0.107 2.289 11.486 1.00 23.30 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? -0.854 1.815 12.330 1.00 23.77 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 1.518 3.928 12.506 1.00 22.23 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 0.813 4.253 13.847 1.00 24.22 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 1.252 3.289 15.008 1.00 22.87 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 1.067 5.710 14.247 1.00 21.75 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? -0.502 2.597 10.232 1.00 21.84 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? -1.904 2.494 9.808 1.00 21.55 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? -2.124 1.315 8.873 1.00 23.51 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? -3.092 1.297 8.083 1.00 22.93 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? -2.378 3.810 9.161 1.00 21.64 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? -2.170 5.018 10.041 1.00 22.42 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? -2.441 4.946 11.431 1.00 23.34 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? -1.726 6.250 9.505 1.00 23.36 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? -2.210 6.027 12.267 1.00 23.42 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? -1.489 7.342 10.332 1.00 19.57 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? -1.720 7.267 11.683 1.00 22.15 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? -1.241 0.321 8.955 1.00 22.63 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? -1.494 -0.947 8.227 1.00 25.64 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? -1.383 -2.169 9.131 1.00 25.55 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? -0.564 -2.185 10.085 1.00 24.14 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? -0.531 -1.073 7.033 1.00 26.49 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? -0.810 0.002 5.915 1.00 28.18 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? -2.073 -0.376 5.192 1.00 32.93 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? -2.870 0.903 4.758 1.00 38.78 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? -4.143 0.548 4.016 1.00 37.10 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? -2.169 -3.183 8.842 1.00 26.37 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? -2.151 -4.455 9.595 1.00 28.49 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? -2.904 -5.579 8.819 1.00 31.23 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? -3.608 -6.438 9.380 1.00 32.73 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? -2.739 -4.263 10.978 1.00 28.09 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? -4.099 -3.905 10.943 1.00 24.79 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? -2.781 -5.533 7.507 1.00 33.90 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? -3.456 -6.499 6.619 1.00 35.80 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? -4.965 -6.565 6.808 1.00 34.40 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? -5.553 -7.652 6.989 1.00 34.10 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? -2.833 -7.879 6.765 1.00 36.46 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? -1.725 -8.104 5.765 1.00 43.81 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? -0.344 -7.922 6.356 1.00 51.00 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 0.523 -8.823 6.118 1.00 53.51 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? -0.118 -6.867 7.023 1.00 54.86 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? -5.580 -5.396 6.775 1.00 32.85 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? -7.044 -5.239 6.896 1.00 32.80 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? -7.667 -5.632 8.241 1.00 31.42 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? -8.935 -5.648 8.388 1.00 34.43 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? -7.827 -5.969 5.777 1.00 32.46 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? -7.965 -7.345 6.166 1.00 35.15 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? -7.101 -5.843 4.461 1.00 32.40 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? -6.829 -5.940 9.220 1.00 27.64 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? -7.326 -6.319 10.506 1.00 24.91 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? -7.534 -5.137 11.476 1.00 22.13 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? -7.956 -5.327 12.581 1.00 22.40 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? -6.377 -7.304 11.162 1.00 26.33 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? -6.401 -8.716 10.519 1.00 31.53 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? -5.429 -9.636 11.284 1.00 35.98 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? -3.998 -9.221 11.116 1.00 40.91 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? -3.595 -9.102 9.675 1.00 41.96 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? -7.253 -3.927 11.042 1.00 19.83 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? -7.574 -2.728 11.839 1.00 16.20 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? -6.978 -2.789 13.230 1.00 16.23 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? -7.702 -2.601 14.249 1.00 16.13 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? -9.068 -2.536 11.941 1.00 17.74 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? -9.748 -2.302 10.521 1.00 16.41 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? -9.251 -1.589 9.719 1.00 18.15 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? -10.896 -2.922 10.291 1.00 18.25 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? -5.656 -3.045 13.316 1.00 12.50 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? -4.996 -3.220 14.651 1.00 12.44 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? -4.413 -1.884 15.132 1.00 12.24 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? -3.576 -1.307 14.430 1.00 14.05 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? -3.916 -4.253 14.565 1.00 12.05 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? -4.354 -5.700 14.164 1.00 14.53 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? -3.121 -6.570 14.017 1.00 16.70 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? -5.295 -6.342 15.211 1.00 10.83 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? -4.945 -1.401 16.255 1.00 12.12 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? -4.547 -0.081 16.909 1.00 12.76 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? -5.233 1.085 16.244 1.00 12.26 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? -5.790 2.009 16.949 1.00 14.44 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? -3.033 0.177 16.925 1.00 13.61 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? -2.097 -0.869 17.492 1.00 12.78 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? -0.629 -0.287 17.372 1.00 14.74 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? -2.377 -1.169 18.986 1.00 17.51 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? -5.223 1.091 14.910 1.00 14.16 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? -5.931 2.131 14.128 1.00 12.32 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? -6.672 1.453 13.003 1.00 12.53 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? -6.332 0.326 12.651 1.00 11.67 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? -4.876 3.098 13.571 1.00 11.82 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? -4.162 3.853 14.655 1.00 11.58 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? -4.760 4.966 15.234 1.00 13.62 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? -2.917 3.412 15.110 1.00 13.78 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? -4.096 5.646 16.316 1.00 16.02 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? -2.245 4.110 16.130 1.00 11.17 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? -2.842 5.169 16.721 1.00 12.19 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? -7.686 2.112 12.423 1.00 13.36 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? -8.302 1.503 11.227 1.00 16.22 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? -7.278 1.588 10.113 1.00 17.75 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? -6.536 2.605 9.994 1.00 16.50 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? -9.631 2.258 10.823 1.00 12.71 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? -10.813 1.770 11.636 1.00 15.60 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? -10.970 0.578 11.851 1.00 13.76 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? -11.634 2.703 12.159 1.00 12.34 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? -7.211 0.548 9.301 1.00 18.52 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? -6.219 0.532 8.183 1.00 20.53 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? -6.497 1.602 7.122 1.00 20.62 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? -5.593 1.908 6.319 1.00 20.93 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? -6.223 -0.830 7.443 1.00 20.55 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? -5.962 -2.005 8.363 1.00 25.16 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? -5.017 -1.955 9.211 1.00 25.87 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? -6.783 -2.928 8.351 1.00 28.00 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? -7.697 2.154 7.104 1.00 20.90 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? -8.024 3.252 6.142 1.00 23.58 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? -7.697 4.679 6.637 1.00 22.52 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? -8.034 5.708 5.967 1.00 22.13 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? -9.487 3.164 5.695 1.00 22.83 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? -10.435 3.510 6.787 1.00 27.09 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? -10.036 3.758 7.920 1.00 23.37 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? -11.720 3.563 6.458 1.00 25.80 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? -7.040 4.759 7.798 1.00 22.07 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? -6.644 6.052 8.374 1.00 19.08 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? -5.569 6.741 7.537 1.00 20.18 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? -4.556 6.164 7.240 1.00 18.60 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? -6.077 5.886 9.836 1.00 20.03 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? -6.996 5.172 10.652 1.00 17.78 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? -5.896 7.259 10.482 1.00 17.29 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? -5.794 7.999 7.199 1.00 20.20 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? -4.785 8.772 6.485 1.00 24.05 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? -3.865 9.482 7.490 1.00 24.45 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? -2.655 9.594 7.268 1.00 24.86 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? -5.454 9.824 5.564 1.00 23.53 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? -4.415 10.821 4.929 1.00 32.00 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? -5.044 11.800 3.976 1.00 32.55 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? -6.288 11.989 3.949 1.00 36.37 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? -4.271 12.432 3.257 1.00 41.44 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? -4.464 10.009 8.574 1.00 22.79 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? -3.677 10.663 9.631 1.00 21.32 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? -4.568 10.766 10.882 1.00 19.10 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? -5.810 10.614 10.793 1.00 19.16 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? -3.243 12.084 9.150 1.00 22.47 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? -4.538 13.309 9.255 1.00 23.96 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? -3.957 11.087 12.007 1.00 17.28 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? -4.684 11.473 13.197 1.00 18.12 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? -4.759 13.034 13.149 1.00 19.42 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? -3.719 13.711 12.970 1.00 19.75 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? -3.907 11.044 14.406 1.00 17.59 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? -3.756 9.488 14.476 1.00 17.90 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? -2.709 9.162 15.593 1.00 14.80 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? -5.144 8.917 14.785 1.00 10.35 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? -5.968 13.576 13.262 1.00 17.99 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? -6.146 15.054 13.052 1.00 19.82 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? -6.407 15.758 14.383 1.00 19.30 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? -7.034 15.227 15.301 1.00 20.10 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? -7.288 15.359 12.113 1.00 14.27 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? -5.943 17.007 14.440 1.00 19.86 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? -6.167 17.848 15.606 1.00 19.96 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? -7.623 18.127 15.719 1.00 19.55 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? -8.313 18.183 14.667 1.00 18.96 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? -5.353 19.157 15.495 1.00 22.18 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? -3.849 18.955 15.862 1.00 25.92 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? -2.976 20.005 15.154 1.00 30.33 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? -1.697 20.216 15.872 1.00 34.58 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? -1.374 21.693 15.983 1.00 37.64 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? -8.106 18.269 16.957 1.00 18.58 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? -9.522 18.558 17.148 1.00 20.47 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? -9.784 20.069 17.186 1.00 23.71 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? -8.922 20.820 17.657 1.00 26.34 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? -10.028 17.892 18.402 1.00 17.60 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? -9.723 16.346 18.353 1.00 17.35 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? -9.936 15.762 19.673 1.00 15.27 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? -10.650 15.714 17.210 1.00 16.44 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? -10.975 20.484 16.736 1.00 24.53 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? -11.418 21.886 16.849 1.00 25.45 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? -12.103 22.143 18.191 1.00 26.39 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? -12.963 21.366 18.619 1.00 28.11 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? -11.727 23.242 18.865 1.00 24.87 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? -12.404 23.670 20.079 1.00 23.99 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? -12.122 22.887 21.372 1.00 22.24 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? -12.951 22.875 22.255 1.00 21.30 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? -10.969 22.244 21.483 1.00 21.66 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? -10.701 21.432 22.718 1.00 22.11 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? -12.011 20.782 23.293 1.00 20.54 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? -12.450 21.089 24.411 1.00 17.08 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? -10.064 22.315 23.772 1.00 24.11 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? -8.816 22.972 23.300 1.00 28.32 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? -7.834 22.944 24.425 1.00 35.96 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? -6.532 23.426 23.997 1.00 44.00 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? -5.386 23.046 24.560 1.00 44.37 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? -5.410 22.199 25.578 1.00 39.72 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? -4.221 23.505 24.080 1.00 45.71 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? -12.679 19.919 22.499 1.00 17.84 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? -13.944 19.352 22.964 1.00 17.05 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? -13.927 18.330 24.125 1.00 16.51 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? -13.027 17.476 24.248 1.00 17.19 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? -14.549 18.696 21.673 1.00 15.01 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? -13.285 18.186 20.984 1.00 17.33 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? -12.191 19.297 21.243 1.00 18.97 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? -15.008 18.368 24.887 1.00 15.71 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? -15.260 17.381 25.929 1.00 14.94 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? -15.676 16.112 25.168 1.00 16.56 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? -16.023 16.191 23.929 1.00 11.03 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? -16.349 17.809 26.801 1.00 15.41 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? -17.572 17.967 26.022 1.00 17.76 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? -16.056 19.136 27.549 1.00 16.63 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? -15.685 14.977 25.860 1.00 14.29 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? -16.100 13.791 25.150 1.00 18.61 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? -17.586 13.932 24.623 1.00 19.72 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? -17.931 13.326 23.609 1.00 18.88 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? -15.946 12.521 26.063 1.00 17.60 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? -17.157 12.287 27.003 1.00 18.76 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? -18.203 11.451 26.608 1.00 18.06 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? -17.272 12.961 28.237 1.00 18.90 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? -19.342 11.284 27.419 1.00 21.77 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? -18.357 12.753 29.083 1.00 19.58 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? -19.391 11.916 28.663 1.00 23.77 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? -20.477 11.699 29.454 1.00 27.55 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? -18.396 14.742 25.302 1.00 21.09 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? -19.789 14.977 24.908 1.00 21.91 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? -19.867 15.847 23.665 1.00 21.53 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? -20.734 15.597 22.790 1.00 22.20 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? -20.610 15.627 25.999 1.00 24.08 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? -20.909 14.752 27.234 1.00 30.36 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? -21.893 15.433 28.212 1.00 37.23 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? -21.928 16.691 28.253 1.00 41.85 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? -22.621 14.723 28.953 1.00 39.94 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? -18.969 16.828 23.557 1.00 17.00 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? -18.952 17.679 22.443 1.00 19.34 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? -18.382 16.927 21.211 1.00 18.78 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? -18.817 17.149 20.045 1.00 14.30 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? -18.134 18.952 22.720 1.00 19.27 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? -18.892 19.965 23.568 1.00 17.20 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? -17.945 21.134 23.948 1.00 17.91 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? -16.805 20.884 24.338 1.00 12.89 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? -18.377 22.317 23.781 1.00 17.68 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? -17.414 16.066 21.474 1.00 17.16 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? -16.871 15.222 20.395 1.00 18.75 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? -17.924 14.282 19.796 1.00 18.71 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? -18.110 14.253 18.570 1.00 20.35 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? -15.650 14.410 20.843 1.00 17.61 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? -15.078 13.666 19.661 1.00 18.01 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? -14.329 14.327 18.670 1.00 16.52 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? -15.339 12.283 19.496 1.00 17.50 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? -13.854 13.608 17.545 1.00 13.99 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? -14.825 11.576 18.440 1.00 11.01 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? -14.105 12.228 17.459 1.00 12.58 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? -13.644 11.522 16.359 1.00 12.35 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? -18.585 13.527 20.657 1.00 18.56 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? -19.574 12.566 20.241 1.00 19.91 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? -20.871 13.226 19.689 1.00 22.31 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? -21.567 12.647 18.866 1.00 18.11 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? -19.943 11.657 21.411 1.00 18.84 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? -18.863 10.636 21.904 1.00 18.89 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? -19.566 9.702 23.051 1.00 15.61 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? -18.419 9.730 20.710 1.00 15.27 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? -21.191 14.414 20.208 1.00 22.08 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? -22.431 15.065 19.852 1.00 24.27 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? -23.577 14.704 20.777 1.00 25.33 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? -23.845 13.523 21.114 1.00 23.83 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? -24.315 15.733 21.154 1.00 27.22 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? -25.424 15.620 22.092 1.00 27.28 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? -26.473 14.533 21.729 1.00 27.57 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? -26.875 13.767 22.584 1.00 25.87 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? -26.155 16.982 22.238 1.00 29.46 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? -25.177 18.027 22.401 1.00 31.34 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? -27.079 16.953 23.422 1.00 30.21 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? -26.905 14.495 20.479 1.00 27.08 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? -27.913 13.507 20.099 1.00 29.61 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? -27.392 12.050 20.249 1.00 26.48 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? -28.113 11.194 20.770 1.00 26.80 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? -28.387 13.750 18.665 1.00 30.71 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? -28.660 15.246 18.361 1.00 40.30 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? -29.387 15.417 17.032 1.00 48.46 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? -29.290 14.485 16.190 1.00 51.66 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? -30.051 16.475 16.831 1.00 50.71 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? -26.172 11.779 19.808 1.00 23.95 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? -25.615 10.393 19.968 1.00 22.40 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? -25.492 10.058 21.436 1.00 22.60 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? -25.815 8.931 21.857 1.00 22.02 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? -24.235 10.227 19.207 1.00 19.51 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? -23.625 8.841 19.318 1.00 16.55 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? -24.391 7.681 19.092 1.00 15.00 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? -22.263 8.675 19.578 1.00 15.43 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? -23.810 6.393 19.187 1.00 16.27 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? -21.697 7.390 19.674 1.00 13.00 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? -22.451 6.287 19.507 1.00 14.34 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? -21.859 5.046 19.650 1.00 13.11 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? -25.032 11.030 22.251 1.00 22.31 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? -24.836 10.738 23.674 1.00 23.79 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? -26.186 10.383 24.313 1.00 24.85 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? -26.297 9.418 25.093 1.00 26.32 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? -24.191 11.967 24.454 1.00 24.46 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? -24.246 11.772 25.929 1.00 24.18 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? -22.761 12.164 24.036 1.00 23.23 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? -27.196 11.156 23.970 1.00 24.98 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? -28.552 10.874 24.453 1.00 26.60 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? -29.110 9.513 23.971 1.00 24.90 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? -29.921 8.913 24.669 1.00 28.10 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? -29.552 11.959 23.989 1.00 25.77 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? -29.019 13.250 24.325 1.00 24.67 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? -30.883 11.748 24.733 1.00 27.56 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? -28.774 9.115 22.752 1.00 23.68 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? -29.230 7.784 22.229 1.00 23.92 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? -28.615 6.672 23.023 1.00 23.02 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? -29.289 5.673 23.338 1.00 22.83 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? -28.886 7.636 20.733 1.00 24.16 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? -27.330 6.847 23.379 1.00 22.71 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? -26.616 5.862 24.142 1.00 22.41 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? -27.194 5.763 25.523 1.00 24.74 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? -27.447 4.670 26.046 1.00 25.05 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? -25.097 6.164 24.239 1.00 21.46 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? -24.472 6.223 22.862 1.00 19.96 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? -24.398 5.059 25.096 1.00 23.02 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? -22.916 6.603 22.857 1.00 21.22 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? -27.390 6.935 26.138 1.00 26.62 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? -27.928 7.049 27.492 1.00 25.33 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? -29.287 6.321 27.506 1.00 25.24 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? -29.530 5.500 28.375 1.00 26.43 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? -28.117 8.546 27.801 1.00 25.54 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? -30.169 6.657 26.548 1.00 24.61 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -31.503 5.983 26.442 1.00 24.54 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -31.428 4.447 26.297 1.00 24.03 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -32.216 3.693 26.918 1.00 22.09 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -32.279 6.510 25.238 1.00 24.73 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -33.116 7.759 25.569 1.00 33.15 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -34.136 7.653 26.252 1.00 33.93 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -32.718 8.943 25.035 1.00 33.21 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? -30.512 3.982 25.445 1.00 22.04 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? -30.366 2.573 25.248 1.00 22.41 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? -29.891 1.909 26.542 1.00 23.41 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? -30.317 0.796 26.886 1.00 21.75 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? -29.395 2.274 24.078 1.00 20.69 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? -28.936 0.811 23.850 1.00 21.08 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? -30.120 -0.019 23.468 1.00 20.15 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? -27.845 0.751 22.729 1.00 17.75 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? -29.012 2.589 27.277 1.00 26.41 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? -28.512 1.973 28.532 1.00 29.53 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? -29.555 1.920 29.681 1.00 30.33 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? -29.301 1.312 30.675 1.00 31.28 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? -27.270 2.663 29.036 1.00 30.39 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? -26.056 2.477 28.115 1.00 30.89 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? -24.818 2.500 28.928 1.00 34.66 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? -23.626 2.164 28.059 1.00 30.97 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? -23.409 3.320 27.283 1.00 36.85 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? -30.717 2.531 29.516 1.00 31.95 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -31.807 2.363 30.473 1.00 33.33 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -32.231 0.907 30.518 1.00 33.61 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -32.658 0.423 31.543 1.00 33.94 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -33.027 3.246 30.105 1.00 34.25 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -32.708 4.698 29.844 1.00 36.63 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -33.027 5.564 31.007 1.00 38.82 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -32.426 6.957 30.864 1.00 44.73 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -32.806 7.638 29.534 1.00 49.37 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -32.083 0.209 29.396 1.00 34.09 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -32.453 -1.196 29.252 1.00 34.18 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -31.655 -2.234 30.038 1.00 36.10 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -32.162 -3.314 30.330 1.00 37.57 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -32.412 -1.582 27.780 1.00 33.91 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -33.711 -0.909 26.813 1.00 31.49 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? -30.399 -1.976 30.346 1.00 38.34 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? -29.652 -2.999 31.059 1.00 40.59 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? -28.696 -2.408 32.048 1.00 41.67 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? -29.074 -2.188 33.203 1.00 42.01 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? -28.943 -3.962 30.096 1.00 41.91 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? -27.996 -3.282 29.289 1.00 44.28 ? 676 SER A OG 1 ATOM 2561 N N . LEU B 2 1 ? -28.513 9.169 35.625 1.00 62.70 ? 681 LEU B N 1 ATOM 2562 C CA . LEU B 2 1 ? -28.069 9.219 34.226 1.00 62.68 ? 681 LEU B CA 1 ATOM 2563 C C . LEU B 2 1 ? -26.553 9.515 34.005 1.00 62.01 ? 681 LEU B C 1 ATOM 2564 O O . LEU B 2 1 ? -26.159 9.995 32.929 1.00 62.29 ? 681 LEU B O 1 ATOM 2565 C CB . LEU B 2 1 ? -28.962 10.195 33.432 1.00 62.91 ? 681 LEU B CB 1 ATOM 2566 C CG . LEU B 2 1 ? -30.288 9.662 32.851 1.00 63.56 ? 681 LEU B CG 1 ATOM 2567 C CD1 . LEU B 2 1 ? -31.278 9.274 33.948 1.00 63.35 ? 681 LEU B CD1 1 ATOM 2568 C CD2 . LEU B 2 1 ? -30.909 10.673 31.875 1.00 62.12 ? 681 LEU B CD2 1 ATOM 2569 N N . GLU B 2 2 ? -25.715 9.218 35.014 1.00 60.80 ? 682 GLU B N 1 ATOM 2570 C CA . GLU B 2 2 ? -24.286 9.600 34.980 1.00 59.76 ? 682 GLU B CA 1 ATOM 2571 C C . GLU B 2 2 ? -23.447 8.980 36.091 1.00 58.25 ? 682 GLU B C 1 ATOM 2572 O O . GLU B 2 2 ? -23.755 9.135 37.287 1.00 58.94 ? 682 GLU B O 1 ATOM 2573 C CB . GLU B 2 2 ? -24.088 11.148 34.965 1.00 60.31 ? 682 GLU B CB 1 ATOM 2574 C CG . GLU B 2 2 ? -24.554 11.938 36.223 1.00 61.55 ? 682 GLU B CG 1 ATOM 2575 C CD . GLU B 2 2 ? -26.073 12.020 36.361 1.00 63.20 ? 682 GLU B CD 1 ATOM 2576 O OE1 . GLU B 2 2 ? -26.745 12.352 35.354 1.00 65.54 ? 682 GLU B OE1 1 ATOM 2577 O OE2 . GLU B 2 2 ? -26.601 11.751 37.466 1.00 62.42 ? 682 GLU B OE2 1 ATOM 2578 N N . ALA B 2 3 ? -22.381 8.288 35.680 1.00 55.63 ? 683 ALA B N 1 ATOM 2579 C CA . ALA B 2 3 ? -21.411 7.674 36.597 1.00 52.44 ? 683 ALA B CA 1 ATOM 2580 C C . ALA B 2 3 ? -20.440 6.772 35.829 1.00 49.60 ? 683 ALA B C 1 ATOM 2581 O O . ALA B 2 3 ? -20.856 6.063 34.893 1.00 49.10 ? 683 ALA B O 1 ATOM 2582 C CB . ALA B 2 3 ? -22.130 6.861 37.722 1.00 52.69 ? 683 ALA B CB 1 ATOM 2583 N N . CYS B 2 4 ? -19.164 6.802 36.225 1.00 45.82 ? 684 CYS B N 1 ATOM 2584 C CA . CYS B 2 4 ? -18.158 5.945 35.623 1.00 42.79 ? 684 CYS B CA 1 ATOM 2585 C C . CYS B 2 4 ? -18.469 4.503 36.006 1.00 43.77 ? 684 CYS B C 1 ATOM 2586 O O . CYS B 2 4 ? -18.546 4.181 37.210 1.00 44.59 ? 684 CYS B O 1 ATOM 2587 C CB . CYS B 2 4 ? -16.756 6.325 36.097 1.00 40.38 ? 684 CYS B CB 1 ATOM 2588 S SG . CYS B 2 4 ? -15.494 5.162 35.596 1.00 32.28 ? 684 CYS B SG 1 ATOM 2589 N N . ALA B 2 5 ? -18.637 3.654 34.985 1.00 43.24 ? 685 ALA B N 1 ATOM 2590 C CA . ALA B 2 5 ? -18.971 2.229 35.145 1.00 43.49 ? 685 ALA B CA 1 ATOM 2591 C C . ALA B 2 5 ? -17.908 1.391 35.888 1.00 43.52 ? 685 ALA B C 1 ATOM 2592 O O . ALA B 2 5 ? -18.099 0.188 36.048 1.00 44.34 ? 685 ALA B O 1 ATOM 2593 C CB . ALA B 2 5 ? -19.287 1.579 33.781 1.00 42.78 ? 685 ALA B CB 1 ATOM 2594 N N . PHE B 2 6 ? -16.829 2.014 36.359 1.00 42.65 ? 686 PHE B N 1 ATOM 2595 C CA . PHE B 2 6 ? -15.771 1.299 37.102 1.00 42.08 ? 686 PHE B CA 1 ATOM 2596 C C . PHE B 2 6 ? -15.555 1.911 38.505 1.00 43.01 ? 686 PHE B C 1 ATOM 2597 O O . PHE B 2 6 ? -16.165 2.929 38.858 1.00 43.83 ? 686 PHE B O 1 ATOM 2598 C CB . PHE B 2 6 ? -14.439 1.274 36.306 1.00 41.23 ? 686 PHE B CB 1 ATOM 2599 C CG . PHE B 2 6 ? -14.601 0.896 34.846 1.00 37.57 ? 686 PHE B CG 1 ATOM 2600 C CD1 . PHE B 2 6 ? -14.845 -0.466 34.458 1.00 37.93 ? 686 PHE B CD1 1 ATOM 2601 C CD2 . PHE B 2 6 ? -14.518 1.868 33.851 1.00 32.34 ? 686 PHE B CD2 1 ATOM 2602 C CE1 . PHE B 2 6 ? -15.023 -0.801 33.065 1.00 33.45 ? 686 PHE B CE1 1 ATOM 2603 C CE2 . PHE B 2 6 ? -14.669 1.522 32.484 1.00 34.65 ? 686 PHE B CE2 1 ATOM 2604 C CZ . PHE B 2 6 ? -14.939 0.185 32.113 1.00 31.09 ? 686 PHE B CZ 1 HETATM 2605 ZN ZN . ZN C 3 . ? -16.319 23.088 24.336 1.00 20.16 ? 81 ZN A ZN 1 HETATM 2606 ZN ZN . ZN D 3 . ? -28.205 10.633 7.287 1.00 24.42 ? 82 ZN A ZN 1 HETATM 2607 FE FE . FE E 4 . ? -16.896 2.378 14.986 1.00 12.99 ? 84 FE A FE 1 HETATM 2608 C C . CO3 F 5 . ? -18.480 0.276 15.244 1.00 15.98 ? 85 CO3 A C 1 HETATM 2609 O O1 . CO3 F 5 . ? -18.994 1.412 14.792 1.00 14.16 ? 85 CO3 A O1 1 HETATM 2610 O O2 . CO3 F 5 . ? -17.169 0.199 15.556 1.00 15.72 ? 85 CO3 A O2 1 HETATM 2611 O O3 . CO3 F 5 . ? -19.242 -0.765 15.394 1.00 11.33 ? 85 CO3 A O3 1 HETATM 2612 S S . SO4 G 6 . ? -32.841 -6.244 -4.595 1.00 46.76 ? 692 SO4 A S 1 HETATM 2613 O O1 . SO4 G 6 . ? -31.898 -5.758 -5.592 1.00 48.09 ? 692 SO4 A O1 1 HETATM 2614 O O2 . SO4 G 6 . ? -34.237 -6.062 -5.007 1.00 48.86 ? 692 SO4 A O2 1 HETATM 2615 O O3 . SO4 G 6 . ? -32.643 -7.696 -4.377 1.00 46.43 ? 692 SO4 A O3 1 HETATM 2616 O O4 . SO4 G 6 . ? -32.541 -5.495 -3.407 1.00 47.00 ? 692 SO4 A O4 1 HETATM 2617 C C1 . NAG H 7 . ? 12.206 9.831 20.130 1.00 47.83 ? 1 NAG A C1 1 HETATM 2618 C C2 . NAG H 7 . ? 12.556 10.071 18.667 1.00 47.06 ? 1 NAG A C2 1 HETATM 2619 C C3 . NAG H 7 . ? 13.655 11.119 18.534 1.00 48.41 ? 1 NAG A C3 1 HETATM 2620 C C4 . NAG H 7 . ? 13.329 12.360 19.357 1.00 49.42 ? 1 NAG A C4 1 HETATM 2621 C C5 . NAG H 7 . ? 12.930 11.983 20.779 1.00 50.78 ? 1 NAG A C5 1 HETATM 2622 C C6 . NAG H 7 . ? 12.529 13.217 21.579 1.00 49.97 ? 1 NAG A C6 1 HETATM 2623 C C7 . NAG H 7 . ? 12.143 8.107 17.305 1.00 44.10 ? 1 NAG A C7 1 HETATM 2624 C C8 . NAG H 7 . ? 12.787 7.217 16.283 1.00 38.63 ? 1 NAG A C8 1 HETATM 2625 N N2 . NAG H 7 . ? 12.977 8.830 18.046 1.00 43.64 ? 1 NAG A N2 1 HETATM 2626 O O3 . NAG H 7 . ? 13.803 11.484 17.158 1.00 48.92 ? 1 NAG A O3 1 HETATM 2627 O O4 . NAG H 7 . ? 14.471 13.222 19.394 1.00 53.02 ? 1 NAG A O4 1 HETATM 2628 O O5 . NAG H 7 . ? 11.839 11.066 20.740 1.00 47.00 ? 1 NAG A O5 1 HETATM 2629 O O6 . NAG H 7 . ? 11.178 13.572 21.263 1.00 55.21 ? 1 NAG A O6 1 HETATM 2630 O O7 . NAG H 7 . ? 10.932 8.163 17.446 1.00 34.81 ? 1 NAG A O7 1 HETATM 2631 C C1 . NAG I 7 . ? -34.835 6.490 20.945 1.00 44.76 ? 3 NAG A C1 1 HETATM 2632 C C2 . NAG I 7 . ? -33.788 7.405 20.331 1.00 42.87 ? 3 NAG A C2 1 HETATM 2633 C C3 . NAG I 7 . ? -33.385 8.696 21.091 1.00 43.57 ? 3 NAG A C3 1 HETATM 2634 C C4 . NAG I 7 . ? -34.604 9.447 21.618 1.00 44.05 ? 3 NAG A C4 1 HETATM 2635 C C5 . NAG I 7 . ? -35.440 8.394 22.339 1.00 46.12 ? 3 NAG A C5 1 HETATM 2636 C C6 . NAG I 7 . ? -36.671 9.037 22.935 1.00 46.92 ? 3 NAG A C6 1 HETATM 2637 C C7 . NAG I 7 . ? -32.186 6.555 18.781 1.00 38.12 ? 3 NAG A C7 1 HETATM 2638 C C8 . NAG I 7 . ? -30.908 5.825 18.555 1.00 35.44 ? 3 NAG A C8 1 HETATM 2639 N N2 . NAG I 7 . ? -32.618 6.645 20.008 1.00 39.85 ? 3 NAG A N2 1 HETATM 2640 O O3 . NAG I 7 . ? -32.601 9.528 20.233 1.00 39.65 ? 3 NAG A O3 1 HETATM 2641 O O4 . NAG I 7 . ? -34.275 10.542 22.494 1.00 47.89 ? 3 NAG A O4 1 HETATM 2642 O O5 . NAG I 7 . ? -35.836 7.267 21.555 1.00 44.30 ? 3 NAG A O5 1 HETATM 2643 O O6 . NAG I 7 . ? -37.323 9.770 21.942 1.00 45.94 ? 3 NAG A O6 1 HETATM 2644 O O7 . NAG I 7 . ? -32.788 7.047 17.872 1.00 38.46 ? 3 NAG A O7 1 HETATM 2645 C C1 . NAG J 7 . ? -34.702 11.856 22.084 1.00 47.59 ? 4 NAG A C1 1 HETATM 2646 C C2 . NAG J 7 . ? -34.692 12.675 23.359 1.00 47.26 ? 4 NAG A C2 1 HETATM 2647 C C3 . NAG J 7 . ? -34.951 14.137 22.972 1.00 46.53 ? 4 NAG A C3 1 HETATM 2648 C C4 . NAG J 7 . ? -34.070 14.608 21.810 1.00 48.46 ? 4 NAG A C4 1 HETATM 2649 C C5 . NAG J 7 . ? -33.936 13.561 20.682 1.00 46.95 ? 4 NAG A C5 1 HETATM 2650 C C6 . NAG J 7 . ? -32.839 13.853 19.683 1.00 46.13 ? 4 NAG A C6 1 HETATM 2651 C C7 . NAG J 7 . ? -35.413 11.596 25.455 1.00 42.10 ? 4 NAG A C7 1 HETATM 2652 C C8 . NAG J 7 . ? -36.586 11.125 26.282 1.00 37.90 ? 4 NAG A C8 1 HETATM 2653 N N2 . NAG J 7 . ? -35.685 12.157 24.269 1.00 40.82 ? 4 NAG A N2 1 HETATM 2654 O O3 . NAG J 7 . ? -34.661 14.936 24.099 1.00 52.44 ? 4 NAG A O3 1 HETATM 2655 O O4 . NAG J 7 . ? -34.588 15.837 21.299 1.00 48.74 ? 4 NAG A O4 1 HETATM 2656 O O5 . NAG J 7 . ? -33.626 12.304 21.270 1.00 49.51 ? 4 NAG A O5 1 HETATM 2657 O O6 . NAG J 7 . ? -31.617 13.821 20.377 1.00 45.23 ? 4 NAG A O6 1 HETATM 2658 O O7 . NAG J 7 . ? -34.278 11.446 25.918 1.00 41.82 ? 4 NAG A O7 1 HETATM 2659 C C1 . NAG K 7 . ? -18.143 4.164 1.297 1.00 31.35 ? 8 NAG A C1 1 HETATM 2660 C C2 . NAG K 7 . ? -18.114 5.513 0.578 1.00 32.61 ? 8 NAG A C2 1 HETATM 2661 C C3 . NAG K 7 . ? -17.234 5.506 -0.684 1.00 33.43 ? 8 NAG A C3 1 HETATM 2662 C C4 . NAG K 7 . ? -15.862 4.964 -0.369 1.00 31.52 ? 8 NAG A C4 1 HETATM 2663 C C5 . NAG K 7 . ? -16.032 3.598 0.326 1.00 33.08 ? 8 NAG A C5 1 HETATM 2664 C C6 . NAG K 7 . ? -14.705 2.984 0.719 1.00 27.25 ? 8 NAG A C6 1 HETATM 2665 C C7 . NAG K 7 . ? -20.003 6.998 0.864 1.00 29.69 ? 8 NAG A C7 1 HETATM 2666 C C8 . NAG K 7 . ? -21.290 7.469 0.291 1.00 27.20 ? 8 NAG A C8 1 HETATM 2667 N N2 . NAG K 7 . ? -19.451 5.942 0.294 1.00 33.17 ? 8 NAG A N2 1 HETATM 2668 O O3 . NAG K 7 . ? -17.070 6.786 -1.219 1.00 37.96 ? 8 NAG A O3 1 HETATM 2669 O O4 . NAG K 7 . ? -15.122 4.856 -1.564 1.00 38.35 ? 8 NAG A O4 1 HETATM 2670 O O5 . NAG K 7 . ? -16.853 3.661 1.459 1.00 27.23 ? 8 NAG A O5 1 HETATM 2671 O O6 . NAG K 7 . ? -14.011 3.845 1.558 1.00 31.95 ? 8 NAG A O6 1 HETATM 2672 O O7 . NAG K 7 . ? -19.518 7.563 1.774 1.00 32.04 ? 8 NAG A O7 1 HETATM 2673 C C1 . NAG L 7 . ? -13.801 5.421 -1.578 1.00 42.73 ? 9 NAG A C1 1 HETATM 2674 C C2 . NAG L 7 . ? -12.961 4.689 -2.636 1.00 41.49 ? 9 NAG A C2 1 HETATM 2675 C C3 . NAG L 7 . ? -11.695 5.423 -3.122 1.00 41.09 ? 9 NAG A C3 1 HETATM 2676 C C4 . NAG L 7 . ? -12.070 6.823 -3.526 1.00 42.90 ? 9 NAG A C4 1 HETATM 2677 C C5 . NAG L 7 . ? -12.679 7.448 -2.287 1.00 44.77 ? 9 NAG A C5 1 HETATM 2678 C C6 . NAG L 7 . ? -12.939 8.911 -2.575 1.00 46.91 ? 9 NAG A C6 1 HETATM 2679 C C7 . NAG L 7 . ? -12.937 2.347 -3.033 1.00 38.39 ? 9 NAG A C7 1 HETATM 2680 C C8 . NAG L 7 . ? -12.393 1.014 -2.696 1.00 38.51 ? 9 NAG A C8 1 HETATM 2681 N N2 . NAG L 7 . ? -12.642 3.336 -2.237 1.00 39.37 ? 9 NAG A N2 1 HETATM 2682 O O3 . NAG L 7 . ? -11.169 4.841 -4.283 1.00 40.33 ? 9 NAG A O3 1 HETATM 2683 O O4 . NAG L 7 . ? -10.885 7.497 -3.949 1.00 43.62 ? 9 NAG A O4 1 HETATM 2684 O O5 . NAG L 7 . ? -13.853 6.812 -1.825 1.00 41.91 ? 9 NAG A O5 1 HETATM 2685 O O6 . NAG L 7 . ? -14.314 9.268 -2.553 1.00 49.33 ? 9 NAG A O6 1 HETATM 2686 O O7 . NAG L 7 . ? -13.634 2.506 -3.950 1.00 39.35 ? 9 NAG A O7 1 HETATM 2687 O O1 . XXD M 8 . ? -23.383 18.373 20.259 1.00 40.45 ? 677 XXD A O1 1 HETATM 2688 O O5 . XXD M 8 . ? -22.096 16.135 15.078 1.00 46.63 ? 677 XXD A O5 1 HETATM 2689 O O7 . XXD M 8 . ? -25.309 16.484 18.181 1.00 44.06 ? 677 XXD A O7 1 HETATM 2690 C C10 . XXD M 8 . ? -22.485 17.534 14.991 1.00 48.39 ? 677 XXD A C10 1 HETATM 2691 C C11 . XXD M 8 . ? -24.472 18.499 19.310 1.00 42.35 ? 677 XXD A C11 1 HETATM 2692 C C13 . XXD M 8 . ? -24.229 17.462 18.230 1.00 44.75 ? 677 XXD A C13 1 HETATM 2693 C C14 . XXD M 8 . ? -24.065 18.145 16.876 1.00 46.34 ? 677 XXD A C14 1 HETATM 2694 C C15 . XXD M 8 . ? -22.615 18.056 16.426 1.00 45.91 ? 677 XXD A C15 1 HETATM 2695 O O . HOH N 9 . ? -7.175 -7.724 30.671 1.00 18.82 ? 2 HOH A O 1 HETATM 2696 O O . HOH N 9 . ? -29.803 10.372 7.814 1.00 16.79 ? 5 HOH A O 1 HETATM 2697 O O . HOH N 9 . ? -8.288 0.110 20.734 1.00 9.80 ? 6 HOH A O 1 HETATM 2698 O O . HOH N 9 . ? -0.218 10.112 8.356 1.00 22.98 ? 7 HOH A O 1 HETATM 2699 O O . HOH N 9 . ? -17.312 -4.607 23.603 1.00 16.62 ? 10 HOH A O 1 HETATM 2700 O O . HOH N 9 . ? -8.886 -4.277 17.705 1.00 14.57 ? 11 HOH A O 1 HETATM 2701 O O . HOH N 9 . ? 2.727 7.100 31.781 1.00 21.16 ? 12 HOH A O 1 HETATM 2702 O O . HOH N 9 . ? 6.855 -2.312 25.540 1.00 26.61 ? 13 HOH A O 1 HETATM 2703 O O . HOH N 9 . ? -6.066 -19.071 23.502 1.00 43.69 ? 14 HOH A O 1 HETATM 2704 O O . HOH N 9 . ? -13.760 -1.813 8.110 1.00 14.03 ? 15 HOH A O 1 HETATM 2705 O O . HOH N 9 . ? -8.626 -0.040 15.444 1.00 14.47 ? 16 HOH A O 1 HETATM 2706 O O . HOH N 9 . ? -19.442 -5.705 -8.166 1.00 34.32 ? 17 HOH A O 1 HETATM 2707 O O . HOH N 9 . ? -12.089 0.257 9.330 1.00 15.76 ? 18 HOH A O 1 HETATM 2708 O O . HOH N 9 . ? -10.022 0.130 7.450 1.00 15.51 ? 19 HOH A O 1 HETATM 2709 O O . HOH N 9 . ? -11.731 -18.875 4.634 1.00 47.02 ? 20 HOH A O 1 HETATM 2710 O O . HOH N 9 . ? -11.903 -0.991 14.055 1.00 17.14 ? 21 HOH A O 1 HETATM 2711 O O . HOH N 9 . ? -12.429 0.624 19.372 1.00 16.98 ? 22 HOH A O 1 HETATM 2712 O O . HOH N 9 . ? -5.436 -5.430 -3.478 1.00 44.05 ? 23 HOH A O 1 HETATM 2713 O O . HOH N 9 . ? -28.122 0.576 6.009 1.00 12.65 ? 24 HOH A O 1 HETATM 2714 O O . HOH N 9 . ? -12.979 -4.623 23.192 1.00 17.24 ? 25 HOH A O 1 HETATM 2715 O O . HOH N 9 . ? -30.363 7.070 5.013 1.00 18.59 ? 26 HOH A O 1 HETATM 2716 O O . HOH N 9 . ? -33.117 2.928 22.687 1.00 23.49 ? 27 HOH A O 1 HETATM 2717 O O . HOH N 9 . ? -9.600 -4.582 15.082 1.00 23.97 ? 28 HOH A O 1 HETATM 2718 O O . HOH N 9 . ? -11.136 -0.651 17.011 1.00 21.35 ? 29 HOH A O 1 HETATM 2719 O O . HOH N 9 . ? -17.890 -20.305 12.006 1.00 41.36 ? 30 HOH A O 1 HETATM 2720 O O . HOH N 9 . ? -11.692 -12.961 10.809 1.00 17.49 ? 31 HOH A O 1 HETATM 2721 O O . HOH N 9 . ? -8.101 -16.073 15.905 1.00 40.10 ? 32 HOH A O 1 HETATM 2722 O O . HOH N 9 . ? -26.438 -14.277 4.929 1.00 14.94 ? 33 HOH A O 1 HETATM 2723 O O . HOH N 9 . ? -8.370 -6.487 19.325 1.00 15.26 ? 34 HOH A O 1 HETATM 2724 O O . HOH N 9 . ? -17.754 -0.106 26.960 1.00 23.99 ? 35 HOH A O 1 HETATM 2725 O O . HOH N 9 . ? -19.845 -12.428 -3.393 1.00 26.64 ? 36 HOH A O 1 HETATM 2726 O O . HOH N 9 . ? -14.503 15.085 28.278 1.00 23.17 ? 37 HOH A O 1 HETATM 2727 O O . HOH N 9 . ? -27.798 -18.287 7.169 1.00 42.24 ? 38 HOH A O 1 HETATM 2728 O O . HOH N 9 . ? -14.651 -4.154 26.141 1.00 18.53 ? 39 HOH A O 1 HETATM 2729 O O . HOH N 9 . ? -20.750 -2.683 -7.712 1.00 39.65 ? 40 HOH A O 1 HETATM 2730 O O . HOH N 9 . ? -25.038 -0.055 11.814 1.00 16.90 ? 41 HOH A O 1 HETATM 2731 O O . HOH N 9 . ? -11.858 -8.718 -2.045 1.00 22.44 ? 42 HOH A O 1 HETATM 2732 O O . HOH N 9 . ? -25.303 -11.137 27.140 1.00 27.51 ? 43 HOH A O 1 HETATM 2733 O O . HOH N 9 . ? -7.890 -0.763 18.279 1.00 21.50 ? 45 HOH A O 1 HETATM 2734 O O . HOH N 9 . ? -31.494 5.004 21.931 1.00 16.89 ? 46 HOH A O 1 HETATM 2735 O O . HOH N 9 . ? -3.195 9.150 30.072 1.00 15.49 ? 47 HOH A O 1 HETATM 2736 O O . HOH N 9 . ? -26.102 -12.595 -2.564 1.00 15.99 ? 48 HOH A O 1 HETATM 2737 O O . HOH N 9 . ? -21.244 -14.215 -1.363 1.00 39.57 ? 49 HOH A O 1 HETATM 2738 O O . HOH N 9 . ? 8.024 11.089 19.380 1.00 27.02 ? 50 HOH A O 1 HETATM 2739 O O . HOH N 9 . ? -31.873 4.570 5.927 1.00 18.56 ? 51 HOH A O 1 HETATM 2740 O O . HOH N 9 . ? -12.932 5.990 12.526 1.00 9.59 ? 52 HOH A O 1 HETATM 2741 O O . HOH N 9 . ? 5.426 -0.242 29.193 1.00 32.01 ? 53 HOH A O 1 HETATM 2742 O O . HOH N 9 . ? 1.075 3.878 8.080 1.00 21.23 ? 54 HOH A O 1 HETATM 2743 O O . HOH N 9 . ? -5.307 -8.553 19.164 1.00 19.22 ? 55 HOH A O 1 HETATM 2744 O O . HOH N 9 . ? -16.228 -15.967 2.327 1.00 37.37 ? 56 HOH A O 1 HETATM 2745 O O . HOH N 9 . ? -21.779 3.691 -0.800 1.00 27.58 ? 57 HOH A O 1 HETATM 2746 O O . HOH N 9 . ? -9.975 2.147 14.959 1.00 18.74 ? 58 HOH A O 1 HETATM 2747 O O . HOH N 9 . ? 0.969 -5.006 29.932 1.00 25.13 ? 60 HOH A O 1 HETATM 2748 O O . HOH N 9 . ? -10.413 5.944 9.417 1.00 19.77 ? 61 HOH A O 1 HETATM 2749 O O . HOH N 9 . ? -19.533 19.281 27.251 1.00 31.24 ? 62 HOH A O 1 HETATM 2750 O O . HOH N 9 . ? -11.876 -4.956 11.696 1.00 18.85 ? 63 HOH A O 1 HETATM 2751 O O . HOH N 9 . ? -29.911 -12.728 19.410 1.00 19.50 ? 64 HOH A O 1 HETATM 2752 O O . HOH N 9 . ? -26.634 -1.811 25.520 1.00 22.78 ? 65 HOH A O 1 HETATM 2753 O O . HOH N 9 . ? -20.457 -11.056 29.294 1.00 36.97 ? 66 HOH A O 1 HETATM 2754 O O . HOH N 9 . ? -34.489 5.160 4.552 1.00 32.84 ? 67 HOH A O 1 HETATM 2755 O O . HOH N 9 . ? -35.849 6.179 17.368 1.00 36.05 ? 68 HOH A O 1 HETATM 2756 O O . HOH N 9 . ? 1.874 14.779 12.271 1.00 19.31 ? 69 HOH A O 1 HETATM 2757 O O . HOH N 9 . ? -2.075 7.412 32.085 1.00 23.89 ? 70 HOH A O 1 HETATM 2758 O O . HOH N 9 . ? -25.405 5.877 31.091 1.00 43.12 ? 71 HOH A O 1 HETATM 2759 O O . HOH N 9 . ? -8.635 -3.741 2.304 1.00 49.13 ? 72 HOH A O 1 HETATM 2760 O O . HOH N 9 . ? -32.373 -15.556 -4.251 1.00 19.89 ? 73 HOH A O 1 HETATM 2761 O O . HOH N 9 . ? -31.374 -10.246 19.848 1.00 21.89 ? 74 HOH A O 1 HETATM 2762 O O . HOH N 9 . ? -11.752 -16.437 27.378 1.00 22.71 ? 75 HOH A O 1 HETATM 2763 O O . HOH N 9 . ? -5.134 18.717 32.892 1.00 32.81 ? 76 HOH A O 1 HETATM 2764 O O . HOH N 9 . ? -17.321 -3.753 26.364 1.00 47.61 ? 77 HOH A O 1 HETATM 2765 O O . HOH N 9 . ? -6.325 18.004 19.132 1.00 20.92 ? 78 HOH A O 1 HETATM 2766 O O . HOH N 9 . ? 14.428 0.062 19.716 1.00 44.14 ? 79 HOH A O 1 HETATM 2767 O O . HOH N 9 . ? -13.762 -10.174 -5.563 1.00 32.30 ? 80 HOH A O 1 HETATM 2768 O O . HOH N 9 . ? -29.696 -16.510 25.606 1.00 24.18 ? 83 HOH A O 1 HETATM 2769 O O . HOH N 9 . ? -18.013 5.753 16.583 1.00 10.89 ? 86 HOH A O 1 HETATM 2770 O O . HOH N 9 . ? -39.091 -7.333 12.095 1.00 36.44 ? 87 HOH A O 1 HETATM 2771 O O . HOH N 9 . ? -35.095 -2.103 4.755 1.00 21.46 ? 88 HOH A O 1 HETATM 2772 O O . HOH N 9 . ? -5.035 -18.658 17.743 1.00 62.31 ? 89 HOH A O 1 HETATM 2773 O O . HOH N 9 . ? -14.214 13.222 30.202 1.00 24.13 ? 90 HOH A O 1 HETATM 2774 O O . HOH N 9 . ? -23.672 -18.952 23.010 1.00 13.36 ? 91 HOH A O 1 HETATM 2775 O O . HOH N 9 . ? -25.960 -19.668 11.036 1.00 25.57 ? 92 HOH A O 1 HETATM 2776 O O . HOH N 9 . ? -25.203 -21.300 22.904 1.00 49.51 ? 93 HOH A O 1 HETATM 2777 O O . HOH N 9 . ? -2.277 16.093 4.307 1.00 44.87 ? 94 HOH A O 1 HETATM 2778 O O . HOH N 9 . ? -2.956 20.121 32.125 1.00 39.05 ? 95 HOH A O 1 HETATM 2779 O O . HOH N 9 . ? -12.021 -2.714 6.227 1.00 25.38 ? 96 HOH A O 1 HETATM 2780 O O . HOH N 9 . ? -3.872 -0.097 11.127 1.00 17.81 ? 97 HOH A O 1 HETATM 2781 O O . HOH N 9 . ? -14.616 -18.138 4.147 1.00 29.00 ? 98 HOH A O 1 HETATM 2782 O O . HOH N 9 . ? 13.642 6.060 11.834 1.00 54.62 ? 100 HOH A O 1 HETATM 2783 O O . HOH N 9 . ? -24.449 -3.603 -4.136 1.00 21.07 ? 101 HOH A O 1 HETATM 2784 O O . HOH N 9 . ? -36.283 -1.977 -2.256 1.00 37.21 ? 102 HOH A O 1 HETATM 2785 O O . HOH N 9 . ? -3.407 18.494 34.689 1.00 27.38 ? 103 HOH A O 1 HETATM 2786 O O . HOH N 9 . ? -6.882 -11.681 13.056 1.00 34.73 ? 104 HOH A O 1 HETATM 2787 O O . HOH N 9 . ? -37.365 -7.793 21.345 1.00 37.71 ? 105 HOH A O 1 HETATM 2788 O O . HOH N 9 . ? -8.342 -21.635 0.845 1.00 56.92 ? 106 HOH A O 1 HETATM 2789 O O . HOH N 9 . ? -30.681 -14.779 -6.132 1.00 43.12 ? 107 HOH A O 1 HETATM 2790 O O . HOH N 9 . ? -35.247 -14.301 2.332 1.00 22.53 ? 108 HOH A O 1 HETATM 2791 O O . HOH N 9 . ? -24.713 -1.942 27.359 1.00 49.39 ? 110 HOH A O 1 HETATM 2792 O O . HOH N 9 . ? -27.052 -2.130 35.141 1.00 41.02 ? 111 HOH A O 1 HETATM 2793 O O . HOH N 9 . ? 3.855 -8.375 27.054 1.00 45.95 ? 112 HOH A O 1 HETATM 2794 O O . HOH N 9 . ? -24.405 0.547 24.942 1.00 22.84 ? 113 HOH A O 1 HETATM 2795 O O . HOH N 9 . ? -0.138 4.138 5.883 1.00 26.72 ? 114 HOH A O 1 HETATM 2796 O O . HOH N 9 . ? -38.315 -12.541 -4.213 1.00 46.41 ? 115 HOH A O 1 HETATM 2797 O O . HOH N 9 . ? 0.623 16.557 7.909 1.00 46.14 ? 116 HOH A O 1 HETATM 2798 O O . HOH N 9 . ? -40.628 -6.982 26.315 1.00 43.89 ? 117 HOH A O 1 HETATM 2799 O O . HOH N 9 . ? -7.083 -16.273 21.629 1.00 31.61 ? 118 HOH A O 1 HETATM 2800 O O . HOH N 9 . ? -28.165 -12.302 4.200 1.00 16.95 ? 119 HOH A O 1 HETATM 2801 O O . HOH N 9 . ? -37.683 2.384 10.434 1.00 24.79 ? 120 HOH A O 1 HETATM 2802 O O . HOH N 9 . ? -0.262 -2.867 34.558 1.00 28.34 ? 121 HOH A O 1 HETATM 2803 O O . HOH N 9 . ? -32.711 -10.005 -6.160 1.00 37.73 ? 122 HOH A O 1 HETATM 2804 O O . HOH N 9 . ? -26.871 -12.482 -5.142 1.00 33.59 ? 124 HOH A O 1 HETATM 2805 O O . HOH N 9 . ? -17.925 -7.168 27.439 1.00 38.36 ? 125 HOH A O 1 HETATM 2806 O O . HOH N 9 . ? -35.641 -8.396 -2.438 1.00 37.41 ? 127 HOH A O 1 HETATM 2807 O O . HOH N 9 . ? -32.605 -16.557 5.782 1.00 46.94 ? 128 HOH A O 1 HETATM 2808 O O . HOH N 9 . ? -8.753 -10.967 7.657 1.00 40.37 ? 129 HOH A O 1 HETATM 2809 O O . HOH N 9 . ? -19.879 -21.173 16.436 1.00 52.85 ? 130 HOH A O 1 HETATM 2810 O O . HOH N 9 . ? -14.208 4.728 7.869 1.00 23.69 ? 131 HOH A O 1 HETATM 2811 O O . HOH N 9 . ? -22.356 -3.096 -10.389 1.00 42.65 ? 132 HOH A O 1 HETATM 2812 O O . HOH N 9 . ? -7.479 -12.621 25.008 1.00 43.83 ? 133 HOH A O 1 HETATM 2813 O O . HOH N 9 . ? -7.213 -3.908 33.344 1.00 30.29 ? 134 HOH A O 1 HETATM 2814 O O . HOH N 9 . ? -13.181 6.888 9.393 1.00 26.62 ? 135 HOH A O 1 HETATM 2815 O O . HOH N 9 . ? -24.157 6.984 -1.587 1.00 25.42 ? 136 HOH A O 1 HETATM 2816 O O . HOH N 9 . ? -40.063 -3.241 4.223 1.00 40.50 ? 137 HOH A O 1 HETATM 2817 O O . HOH N 9 . ? 10.762 -1.535 26.980 1.00 44.88 ? 138 HOH A O 1 HETATM 2818 O O . HOH N 9 . ? -36.698 -5.010 21.652 1.00 29.44 ? 140 HOH A O 1 HETATM 2819 O O . HOH N 9 . ? -10.312 17.451 23.779 1.00 30.28 ? 141 HOH A O 1 HETATM 2820 O O . HOH N 9 . ? -5.647 -16.168 0.122 1.00 51.18 ? 142 HOH A O 1 HETATM 2821 O O . HOH N 9 . ? -10.273 -10.754 13.522 1.00 40.24 ? 143 HOH A O 1 HETATM 2822 O O . HOH N 9 . ? -37.103 4.729 14.936 1.00 36.88 ? 144 HOH A O 1 HETATM 2823 O O . HOH N 9 . ? -16.006 12.909 33.815 1.00 55.47 ? 145 HOH A O 1 HETATM 2824 O O . HOH N 9 . ? -34.987 3.347 25.149 1.00 64.38 ? 146 HOH A O 1 HETATM 2825 O O . HOH N 9 . ? 2.986 2.402 32.921 1.00 26.20 ? 147 HOH A O 1 HETATM 2826 O O . HOH N 9 . ? -10.042 -8.852 4.575 1.00 20.79 ? 148 HOH A O 1 HETATM 2827 O O . HOH N 9 . ? -30.878 11.460 20.787 1.00 32.98 ? 149 HOH A O 1 HETATM 2828 O O . HOH N 9 . ? -18.745 -16.525 1.074 1.00 46.61 ? 150 HOH A O 1 HETATM 2829 O O . HOH N 9 . ? -8.917 22.550 19.934 1.00 44.97 ? 151 HOH A O 1 HETATM 2830 O O . HOH N 9 . ? -22.998 4.590 32.340 1.00 39.36 ? 152 HOH A O 1 HETATM 2831 O O . HOH N 9 . ? -35.393 -10.143 27.779 1.00 48.21 ? 153 HOH A O 1 HETATM 2832 O O . HOH N 9 . ? -2.082 17.643 29.185 1.00 28.42 ? 154 HOH A O 1 HETATM 2833 O O . HOH N 9 . ? 2.765 -3.294 31.400 1.00 42.98 ? 156 HOH A O 1 HETATM 2834 O O . HOH N 9 . ? -17.039 -5.284 -10.595 1.00 39.02 ? 157 HOH A O 1 HETATM 2835 O O . HOH N 9 . ? -31.546 -18.965 14.292 1.00 28.45 ? 158 HOH A O 1 HETATM 2836 O O . HOH N 9 . ? -39.708 0.910 11.105 1.00 46.02 ? 159 HOH A O 1 HETATM 2837 O O . HOH N 9 . ? 5.772 13.653 30.277 1.00 45.91 ? 160 HOH A O 1 HETATM 2838 O O . HOH N 9 . ? -34.675 18.370 21.334 1.00 56.69 ? 161 HOH A O 1 HETATM 2839 O O . HOH N 9 . ? -4.120 14.983 1.191 1.00 64.06 ? 162 HOH A O 1 HETATM 2840 O O . HOH N 9 . ? -0.932 -4.482 32.601 1.00 23.97 ? 163 HOH A O 1 HETATM 2841 O O . HOH N 9 . ? -1.012 12.935 37.144 1.00 22.68 ? 164 HOH A O 1 HETATM 2842 O O . HOH N 9 . ? -3.055 -6.197 31.613 1.00 19.65 ? 165 HOH A O 1 HETATM 2843 O O . HOH N 9 . ? 0.095 -8.268 14.786 1.00 24.84 ? 166 HOH A O 1 HETATM 2844 O O . HOH N 9 . ? -10.997 -3.070 18.934 1.00 33.52 ? 167 HOH A O 1 HETATM 2845 O O . HOH N 9 . ? -39.279 -13.116 7.622 1.00 44.09 ? 168 HOH A O 1 HETATM 2846 O O . HOH N 9 . ? -8.065 -2.389 4.430 1.00 28.13 ? 169 HOH A O 1 HETATM 2847 O O . HOH N 9 . ? 12.092 5.910 3.852 1.00 40.94 ? 170 HOH A O 1 HETATM 2848 O O . HOH N 9 . ? 1.281 7.349 -0.081 1.00 52.64 ? 171 HOH A O 1 HETATM 2849 O O . HOH N 9 . ? -30.787 -11.821 -5.905 1.00 39.34 ? 172 HOH A O 1 HETATM 2850 O O . HOH N 9 . ? -12.877 -3.727 32.707 1.00 38.61 ? 173 HOH A O 1 HETATM 2851 O O . HOH N 9 . ? -18.157 -1.399 -7.525 1.00 40.23 ? 174 HOH A O 1 HETATM 2852 O O . HOH N 9 . ? -36.300 -15.779 18.063 1.00 52.81 ? 176 HOH A O 1 HETATM 2853 O O . HOH N 9 . ? -25.452 -14.883 -1.770 1.00 37.98 ? 177 HOH A O 1 HETATM 2854 O O . HOH N 9 . ? 1.744 17.828 12.708 1.00 50.68 ? 178 HOH A O 1 HETATM 2855 O O . HOH N 9 . ? 12.391 3.223 12.066 1.00 34.04 ? 179 HOH A O 1 HETATM 2856 O O . HOH N 9 . ? -19.332 -4.990 -11.890 1.00 40.53 ? 180 HOH A O 1 HETATM 2857 O O . HOH N 9 . ? -32.710 -16.824 9.562 1.00 46.00 ? 181 HOH A O 1 HETATM 2858 O O . HOH N 9 . ? -27.087 -21.407 9.069 1.00 62.12 ? 182 HOH A O 1 HETATM 2859 O O . HOH N 9 . ? -38.393 5.424 22.618 1.00 49.61 ? 183 HOH A O 1 HETATM 2860 O O . HOH N 9 . ? -20.344 -8.295 -11.664 1.00 58.19 ? 184 HOH A O 1 HETATM 2861 O O . HOH N 9 . ? 10.607 -3.591 7.753 1.00 52.33 ? 185 HOH A O 1 HETATM 2862 O O . HOH N 9 . ? -39.370 6.587 2.510 1.00 40.62 ? 186 HOH A O 1 HETATM 2863 O O . HOH N 9 . ? -39.506 -11.683 10.888 1.00 33.96 ? 187 HOH A O 1 HETATM 2864 O O . HOH N 9 . ? -21.139 2.644 24.445 1.00 25.51 ? 188 HOH A O 1 HETATM 2865 O O . HOH N 9 . ? 13.169 4.405 5.805 1.00 36.64 ? 189 HOH A O 1 HETATM 2866 O O . HOH N 9 . ? -12.802 -6.834 33.428 1.00 39.65 ? 190 HOH A O 1 HETATM 2867 O O . HOH N 9 . ? -28.502 -13.735 24.437 1.00 39.95 ? 191 HOH A O 1 HETATM 2868 O O . HOH N 9 . ? -20.340 12.795 32.104 1.00 32.38 ? 192 HOH A O 1 HETATM 2869 O O . HOH N 9 . ? -40.195 1.488 7.544 1.00 36.37 ? 193 HOH A O 1 HETATM 2870 O O . HOH N 9 . ? -5.908 -6.224 32.403 1.00 38.08 ? 194 HOH A O 1 HETATM 2871 O O . HOH N 9 . ? -17.558 -21.512 19.109 1.00 41.70 ? 195 HOH A O 1 HETATM 2872 O O . HOH N 9 . ? 1.452 4.257 3.066 1.00 50.23 ? 196 HOH A O 1 HETATM 2873 O O . HOH N 9 . ? 2.665 1.930 35.489 1.00 44.07 ? 197 HOH A O 1 HETATM 2874 O O . HOH N 9 . ? -30.677 -18.914 25.820 1.00 47.91 ? 198 HOH A O 1 HETATM 2875 O O . HOH N 9 . ? -21.701 -17.651 1.399 1.00 45.41 ? 199 HOH A O 1 HETATM 2876 O O . HOH N 9 . ? -26.039 -14.996 -4.774 1.00 47.81 ? 201 HOH A O 1 HETATM 2877 O O . HOH N 9 . ? -27.078 0.703 36.647 1.00 54.32 ? 203 HOH A O 1 HETATM 2878 O O . HOH N 9 . ? -12.235 -19.985 14.942 1.00 44.12 ? 204 HOH A O 1 HETATM 2879 O O . HOH N 9 . ? -9.083 9.784 -4.368 1.00 65.80 ? 205 HOH A O 1 HETATM 2880 O O . HOH N 9 . ? 2.332 -7.025 30.543 1.00 50.22 ? 206 HOH A O 1 HETATM 2881 O O . HOH N 9 . ? -3.831 24.286 -0.137 1.00 41.67 ? 207 HOH A O 1 HETATM 2882 O O . HOH N 9 . ? 2.940 -5.173 26.159 1.00 38.81 ? 208 HOH A O 1 HETATM 2883 O O . HOH N 9 . ? 6.953 -11.376 13.042 1.00 46.44 ? 209 HOH A O 1 HETATM 2884 O O . HOH N 9 . ? 2.157 17.446 31.802 1.00 42.14 ? 210 HOH A O 1 HETATM 2885 O O . HOH N 9 . ? -41.216 -0.332 2.456 1.00 51.05 ? 211 HOH A O 1 HETATM 2886 O O . HOH N 9 . ? -24.365 -9.458 29.913 1.00 38.93 ? 212 HOH A O 1 HETATM 2887 O O . HOH N 9 . ? -4.675 -16.114 2.595 1.00 37.15 ? 213 HOH A O 1 HETATM 2888 O O . HOH N 9 . ? -24.485 1.028 37.592 1.00 43.08 ? 214 HOH A O 1 HETATM 2889 O O . HOH N 9 . ? -10.077 -20.490 12.955 1.00 53.83 ? 215 HOH A O 1 HETATM 2890 O O . HOH N 9 . ? -8.100 0.193 3.663 1.00 38.42 ? 216 HOH A O 1 HETATM 2891 O O . HOH N 9 . ? -38.549 -9.922 -3.375 1.00 52.95 ? 217 HOH A O 1 HETATM 2892 O O . HOH N 9 . ? 3.881 5.697 0.741 1.00 50.00 ? 218 HOH A O 1 HETATM 2893 O O . HOH N 9 . ? 14.114 15.806 18.389 1.00 66.58 ? 219 HOH A O 1 HETATM 2894 O O . HOH N 9 . ? -4.920 -2.337 4.611 1.00 44.21 ? 220 HOH A O 1 HETATM 2895 O O . HOH N 9 . ? -24.412 13.371 17.855 1.00 19.22 ? 221 HOH A O 1 HETATM 2896 O O . HOH N 9 . ? -24.528 15.852 26.312 1.00 51.48 ? 222 HOH A O 1 HETATM 2897 O O . HOH N 9 . ? 9.162 -6.505 17.595 1.00 43.39 ? 223 HOH A O 1 HETATM 2898 O O . HOH N 9 . ? -26.834 10.667 11.871 1.00 23.51 ? 224 HOH A O 1 HETATM 2899 O O . HOH N 9 . ? -6.523 -10.228 30.564 1.00 29.54 ? 225 HOH A O 1 HETATM 2900 O O . HOH N 9 . ? -15.762 7.249 3.804 1.00 33.22 ? 226 HOH A O 1 HETATM 2901 O O . HOH N 9 . ? -20.927 -0.410 29.193 1.00 45.26 ? 227 HOH A O 1 HETATM 2902 O O . HOH N 9 . ? -5.674 -0.338 21.356 1.00 15.35 ? 228 HOH A O 1 HETATM 2903 O O . HOH N 9 . ? -8.488 1.757 -3.227 1.00 82.09 ? 229 HOH A O 1 HETATM 2904 O O . HOH N 9 . ? -20.767 18.969 19.461 1.00 30.84 ? 230 HOH A O 1 HETATM 2905 O O . HOH N 9 . ? -23.025 -21.014 7.027 1.00 48.51 ? 231 HOH A O 1 HETATM 2906 O O . HOH N 9 . ? -16.877 14.640 16.104 1.00 40.04 ? 232 HOH A O 1 HETATM 2907 O O . HOH N 9 . ? -16.384 12.777 13.540 1.00 27.83 ? 233 HOH A O 1 HETATM 2908 O O . HOH N 9 . ? -10.629 -1.091 20.717 1.00 17.89 ? 234 HOH A O 1 HETATM 2909 O O . HOH N 9 . ? -15.412 -21.517 12.373 1.00 50.40 ? 235 HOH A O 1 HETATM 2910 O O . HOH N 9 . ? -10.979 -8.222 14.119 1.00 31.55 ? 236 HOH A O 1 HETATM 2911 O O . HOH N 9 . ? -38.866 6.618 20.341 1.00 47.33 ? 237 HOH A O 1 HETATM 2912 O O . HOH N 9 . ? 1.903 4.751 32.316 1.00 23.43 ? 238 HOH A O 1 HETATM 2913 O O . HOH N 9 . ? -39.296 -3.253 27.848 1.00 31.99 ? 239 HOH A O 1 HETATM 2914 O O . HOH N 9 . ? -20.970 22.891 23.556 1.00 47.06 ? 240 HOH A O 1 HETATM 2915 O O . HOH N 9 . ? 16.879 3.426 21.574 1.00 50.71 ? 241 HOH A O 1 HETATM 2916 O O . HOH N 9 . ? -1.587 22.589 18.970 1.00 44.62 ? 242 HOH A O 1 HETATM 2917 O O . HOH N 9 . ? -28.701 9.972 10.136 1.00 38.12 ? 243 HOH A O 1 HETATM 2918 O O . HOH N 9 . ? -6.143 -15.023 4.647 1.00 51.30 ? 244 HOH A O 1 HETATM 2919 O O . HOH N 9 . ? -6.990 -17.128 25.519 1.00 39.50 ? 245 HOH A O 1 HETATM 2920 O O . HOH N 9 . ? -22.583 12.577 13.840 1.00 48.24 ? 246 HOH A O 1 HETATM 2921 O O . HOH N 9 . ? -32.077 -2.370 -5.090 1.00 45.20 ? 247 HOH A O 1 HETATM 2922 O O . HOH N 9 . ? -1.965 1.987 39.617 1.00 33.42 ? 248 HOH A O 1 HETATM 2923 O O . HOH N 9 . ? -23.340 -2.655 -6.587 1.00 50.46 ? 249 HOH A O 1 HETATM 2924 O O . HOH N 9 . ? -28.341 5.795 31.014 1.00 46.06 ? 250 HOH A O 1 HETATM 2925 O O . HOH N 9 . ? -28.499 -1.635 27.254 1.00 29.68 ? 251 HOH A O 1 HETATM 2926 O O . HOH N 9 . ? -2.810 -11.937 1.770 1.00 59.79 ? 252 HOH A O 1 HETATM 2927 O O . HOH N 9 . ? -18.295 8.013 4.114 1.00 30.02 ? 253 HOH A O 1 HETATM 2928 O O . HOH N 9 . ? 0.519 1.892 2.998 1.00 43.74 ? 254 HOH A O 1 HETATM 2929 O O . HOH N 9 . ? -25.739 1.191 -8.165 1.00 38.60 ? 255 HOH A O 1 HETATM 2930 O O . HOH N 9 . ? -24.877 10.224 29.639 1.00 45.73 ? 256 HOH A O 1 HETATM 2931 O O . HOH N 9 . ? -9.051 6.197 3.485 1.00 47.26 ? 257 HOH A O 1 HETATM 2932 O O . HOH N 9 . ? -40.971 -9.014 11.508 1.00 45.82 ? 258 HOH A O 1 HETATM 2933 O O . HOH N 9 . ? -9.601 -2.916 7.023 1.00 25.37 ? 259 HOH A O 1 HETATM 2934 O O . HOH N 9 . ? 15.771 6.592 21.581 1.00 45.03 ? 260 HOH A O 1 HETATM 2935 O O . HOH N 9 . ? 2.139 -2.292 10.170 1.00 39.67 ? 261 HOH A O 1 HETATM 2936 O O . HOH N 9 . ? -12.616 18.743 15.586 1.00 39.30 ? 262 HOH A O 1 HETATM 2937 O O . HOH N 9 . ? -33.640 -13.872 27.327 1.00 43.94 ? 263 HOH A O 1 HETATM 2938 O O . HOH N 9 . ? -34.386 5.974 2.028 1.00 49.75 ? 264 HOH A O 1 HETATM 2939 O O . HOH N 9 . ? -22.371 -21.667 15.641 1.00 58.88 ? 265 HOH A O 1 HETATM 2940 O O . HOH N 9 . ? -1.403 2.825 1.563 1.00 59.12 ? 266 HOH A O 1 HETATM 2941 O O . HOH N 9 . ? -15.754 20.359 18.521 1.00 59.29 ? 267 HOH A O 1 HETATM 2942 O O . HOH N 9 . ? -1.928 -14.194 18.672 1.00 51.73 ? 268 HOH A O 1 HETATM 2943 O O . HOH N 9 . ? 1.798 -12.911 22.636 1.00 47.06 ? 269 HOH A O 1 HETATM 2944 O O . HOH N 9 . ? -8.542 18.474 -4.252 1.00 55.33 ? 270 HOH A O 1 HETATM 2945 O O . HOH N 9 . ? 10.801 -2.079 22.535 1.00 40.79 ? 271 HOH A O 1 HETATM 2946 O O . HOH N 9 . ? 9.874 17.059 23.688 1.00 46.08 ? 272 HOH A O 1 HETATM 2947 O O . HOH N 9 . ? 10.057 -3.114 14.404 1.00 51.00 ? 273 HOH A O 1 HETATM 2948 O O . HOH N 9 . ? -28.429 -16.475 5.369 1.00 37.74 ? 275 HOH A O 1 HETATM 2949 O O . HOH N 9 . ? 9.127 11.599 21.759 1.00 35.21 ? 276 HOH A O 1 HETATM 2950 O O . HOH N 9 . ? -5.928 -26.186 20.822 1.00 48.99 ? 277 HOH A O 1 HETATM 2951 O O . HOH N 9 . ? -1.030 -10.695 24.765 1.00 47.56 ? 278 HOH A O 1 HETATM 2952 O O . HOH N 9 . ? 0.018 19.169 22.707 1.00 40.64 ? 279 HOH A O 1 HETATM 2953 O O . HOH N 9 . ? 1.681 -10.719 21.256 1.00 44.78 ? 280 HOH A O 1 HETATM 2954 O O . HOH N 9 . ? -40.189 -7.480 4.809 1.00 43.50 ? 281 HOH A O 1 HETATM 2955 O O . HOH N 9 . ? -0.215 4.065 38.393 1.00 32.34 ? 282 HOH A O 1 HETATM 2956 O O . HOH N 9 . ? -14.027 -14.897 -1.052 1.00 31.22 ? 283 HOH A O 1 HETATM 2957 O O . HOH N 9 . ? -12.777 11.586 8.281 1.00 44.42 ? 284 HOH A O 1 HETATM 2958 O O . HOH N 9 . ? -4.789 -12.425 11.840 1.00 41.54 ? 285 HOH A O 1 HETATM 2959 O O . HOH N 9 . ? -6.972 -13.928 14.307 1.00 55.06 ? 286 HOH A O 1 HETATM 2960 O O . HOH N 9 . ? -20.596 -23.743 16.340 1.00 43.18 ? 287 HOH A O 1 HETATM 2961 O O . HOH N 9 . ? -29.159 0.447 33.433 1.00 48.37 ? 288 HOH A O 1 HETATM 2962 O O . HOH N 9 . ? -41.166 8.942 20.813 1.00 53.67 ? 289 HOH A O 1 HETATM 2963 O O . HOH N 9 . ? 6.267 1.954 31.525 1.00 43.30 ? 290 HOH A O 1 HETATM 2964 O O . HOH N 9 . ? -28.477 -18.542 28.049 1.00 56.01 ? 291 HOH A O 1 HETATM 2965 O O . HOH N 9 . ? 1.068 -1.734 32.417 1.00 54.71 ? 292 HOH A O 1 HETATM 2966 O O . HOH N 9 . ? -30.564 15.255 22.341 1.00 44.33 ? 293 HOH A O 1 HETATM 2967 O O . HOH N 9 . ? -24.684 7.437 -5.584 1.00 61.83 ? 294 HOH A O 1 HETATM 2968 O O . HOH N 9 . ? -5.991 -10.832 6.391 1.00 51.63 ? 295 HOH A O 1 HETATM 2969 O O . HOH N 9 . ? -37.129 -14.904 21.064 1.00 47.97 ? 296 HOH A O 1 HETATM 2970 O O . HOH N 9 . ? 17.284 1.437 6.603 1.00 45.53 ? 298 HOH A O 1 HETATM 2971 O O . HOH N 9 . ? -31.464 -14.677 25.501 1.00 41.88 ? 299 HOH A O 1 HETATM 2972 O O . HOH N 9 . ? -40.256 -9.810 2.257 1.00 50.25 ? 300 HOH A O 1 HETATM 2973 O O . HOH N 9 . ? -40.728 -7.385 1.862 1.00 42.69 ? 301 HOH A O 1 HETATM 2974 O O . HOH N 9 . ? -17.108 21.997 20.359 1.00 32.30 ? 302 HOH A O 1 HETATM 2975 O O . HOH N 9 . ? -7.891 -15.242 6.803 1.00 52.04 ? 303 HOH A O 1 HETATM 2976 O O . HOH N 9 . ? -22.513 -21.232 13.084 1.00 46.81 ? 305 HOH A O 1 HETATM 2977 O O . HOH N 9 . ? -38.970 -6.456 -0.712 1.00 38.42 ? 306 HOH A O 1 HETATM 2978 O O . HOH N 9 . ? 18.007 4.461 7.853 1.00 53.77 ? 307 HOH A O 1 HETATM 2979 O O . HOH N 9 . ? -18.564 20.591 17.464 1.00 42.98 ? 308 HOH A O 1 HETATM 2980 O O . HOH N 9 . ? 8.321 -3.974 12.053 1.00 48.44 ? 309 HOH A O 1 HETATM 2981 O O . HOH N 9 . ? -25.536 -22.339 14.902 1.00 45.28 ? 310 HOH A O 1 HETATM 2982 O O . HOH N 9 . ? 0.209 -12.932 17.625 1.00 57.52 ? 311 HOH A O 1 HETATM 2983 O O . HOH N 9 . ? -26.736 1.469 32.454 1.00 52.02 ? 312 HOH A O 1 HETATM 2984 O O . HOH N 9 . ? -9.297 -13.773 12.329 1.00 41.54 ? 313 HOH A O 1 HETATM 2985 O O . HOH N 9 . ? -42.511 -7.148 6.840 1.00 38.38 ? 314 HOH A O 1 HETATM 2986 O O . HOH N 9 . ? -21.777 6.789 -6.316 1.00 58.37 ? 315 HOH A O 1 HETATM 2987 O O . HOH N 9 . ? -40.785 -10.192 -0.537 1.00 45.22 ? 316 HOH A O 1 HETATM 2988 O O . HOH N 9 . ? -9.095 -16.261 11.781 1.00 41.65 ? 317 HOH A O 1 HETATM 2989 O O . HOH N 9 . ? -9.106 -11.579 11.121 1.00 39.01 ? 318 HOH A O 1 HETATM 2990 O O . HOH N 9 . ? -8.857 12.664 33.028 1.00 30.21 ? 319 HOH A O 1 HETATM 2991 O O . HOH N 9 . ? -12.575 -1.487 -6.322 1.00 59.79 ? 320 HOH A O 1 HETATM 2992 O O . HOH N 9 . ? -40.102 -3.088 13.826 1.00 52.44 ? 321 HOH A O 1 HETATM 2993 O O . HOH N 9 . ? -38.139 -4.226 12.606 1.00 31.55 ? 322 HOH A O 1 HETATM 2994 O O . HOH N 9 . ? -4.976 1.921 19.796 1.00 7.99 ? 678 HOH A O 1 HETATM 2995 O O . HOH N 9 . ? -27.120 -16.269 1.058 1.00 52.16 ? 679 HOH A O 1 HETATM 2996 O O . HOH N 9 . ? -18.699 -0.959 30.387 1.00 36.02 ? 680 HOH A O 1 HETATM 2997 O O . HOH N 9 . ? -19.920 -10.497 14.399 1.00 6.33 ? 681 HOH A O 1 HETATM 2998 O O . HOH N 9 . ? -12.285 -3.564 14.088 1.00 20.54 ? 682 HOH A O 1 HETATM 2999 O O . HOH N 9 . ? -12.102 -19.768 0.071 1.00 53.29 ? 683 HOH A O 1 HETATM 3000 O O . HOH N 9 . ? -20.701 -19.852 14.256 1.00 29.32 ? 684 HOH A O 1 HETATM 3001 O O . HOH N 9 . ? 1.895 3.841 36.927 1.00 31.08 ? 685 HOH A O 1 HETATM 3002 O O . HOH O 9 . ? -18.316 4.448 32.237 1.00 36.76 ? 274 HOH B O 1 HETATM 3003 O O . HOH O 9 . ? -24.753 8.552 39.964 1.00 52.41 ? 297 HOH B O 1 HETATM 3004 O O . HOH O 9 . ? -20.811 4.570 31.054 1.00 38.02 ? 304 HOH B 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 B 2 1 LEU 1 681 681 LEU LEU B . n B 2 2 GLU 2 682 682 GLU GLU B . n B 2 3 ALA 3 683 683 ALA ALA B . n B 2 4 CYS 4 684 684 CYS CYS B . n B 2 5 ALA 5 685 685 ALA ALA B . n B 2 6 PHE 6 686 686 PHE PHE B . 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 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 135 A ASN 476 ? 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 dimeric _pdbx_struct_assembly.oligomeric_count 2 # _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 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 2860 ? 1 MORE -52 ? 1 'SSA (A^2)' 15300 ? # _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 ? E FE . ? A FE 84 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 99.4 ? 2 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 167.3 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 88.4 ? 4 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 86.8 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 98.8 ? 6 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 82.0 ? 7 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 O1 ? F CO3 . ? A CO3 85 ? 1_555 93.3 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 O1 ? F CO3 . ? A CO3 85 ? 1_555 95.5 ? 9 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 O1 ? F CO3 . ? A CO3 85 ? 1_555 96.0 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 O1 ? F CO3 . ? A CO3 85 ? 1_555 165.4 ? 11 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 O2 ? F CO3 . ? A CO3 85 ? 1_555 89.4 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 O2 ? F CO3 . ? A CO3 85 ? 1_555 155.3 ? 13 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 O2 ? F CO3 . ? A CO3 85 ? 1_555 87.5 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 O2 ? F CO3 . ? A CO3 85 ? 1_555 104.7 ? 15 O1 ? F CO3 . ? A CO3 85 ? 1_555 FE ? E FE . ? A FE 84 ? 1_555 O2 ? F CO3 . ? A CO3 85 ? 1_555 60.8 ? 16 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? D ZN . ? A ZN 82 ? 1_555 O ? N HOH . ? A HOH 5 ? 1_555 106.5 ? 17 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? C ZN . ? A ZN 81 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 58.2 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2011-11-23 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 AMoRE phasing . ? 2 REFMAC refinement 5.5.0109 ? 3 DENZO 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3UK4 _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;PROTEINS IN THIS STRUCTURE WERE PREPARED FROM LACTOFERRIN (RESIDUES 1-686) BY PROTEOLYSIS USING SERINE PROTEASE PROTEINASE K. THE ENZYME CUT PROTEIN AT 342, 676, 680 THUS PRODUCING PEPTIDES OF 1-341, 342-676, 677-680, 681-686. CYS 684 FROM THE FRAGMENT 681-686 IS COVALENTLY BONDED TO CYS 405. THIS STRUCTURE CONTAINS PEPTIDE OF 342-676 AND COVALENTLY ATTACHED PEPTIDE 681- 686. (RESIDUE NUMBERING ABOVE FOLLOWS THE COORDINATES. RESIDUES 1-686 CORRESPOND TO RESIDUES 20-705 IN UNP P24627, TRFL_BOVIN.) THERE IS A CONFLICT 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_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CB A CYS 491 ? ? SG A CYS 491 ? ? 1.925 1.818 0.107 0.017 N 2 1 CE2 A TYR 524 ? ? CD2 A TYR 524 ? ? 1.480 1.389 0.091 0.015 N # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CA _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 CYS _pdbx_validate_rmsd_angle.auth_seq_id_1 532 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CB _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 CYS _pdbx_validate_rmsd_angle.auth_seq_id_2 532 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 SG _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 CYS _pdbx_validate_rmsd_angle.auth_seq_id_3 532 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 121.79 _pdbx_validate_rmsd_angle.angle_target_value 114.20 _pdbx_validate_rmsd_angle.angle_deviation 7.59 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.10 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LYS A 416 ? ? -37.50 124.75 2 1 SER A 417 ? ? -92.85 -140.06 3 1 SER A 418 ? ? 178.36 -74.86 4 1 ALA A 460 ? ? 179.35 153.65 5 1 TRP A 467 ? ? -144.51 -62.24 6 1 TYR A 523 ? ? -99.87 30.83 7 1 VAL A 543 ? ? -139.10 -159.47 8 1 VAL A 581 ? ? -68.68 2.90 9 1 CYS A 587 ? ? -152.63 68.12 10 1 SER A 634 ? ? -165.41 35.30 11 1 LEU A 640 ? ? 81.30 -45.92 12 1 ARG A 654 ? ? 33.28 60.89 13 1 GLU B 682 ? ? -170.21 124.68 14 1 ALA B 683 ? ? 171.00 140.77 15 1 ALA B 685 ? ? -62.68 2.56 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 'ZINC ION' ZN 4 'FE (III) ION' FE 5 'CARBONATE ION' CO3 6 'SULFATE ION' SO4 7 N-ACETYL-D-GLUCOSAMINE NAG 8 '(2S)-pentane-1,2,5-triol' XXD 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 C 3 ZN 1 81 81 ZN ZN A . D 3 ZN 1 82 82 ZN ZN A . E 4 FE 1 84 84 FE FE A . F 5 CO3 1 85 85 CO3 CO3 A . G 6 SO4 1 692 692 SO4 SO4 A . H 7 NAG 1 1 1 NAG NAG A . I 7 NAG 1 3 3 NAG NAG A . J 7 NAG 2 4 4 NAG NAG A . K 7 NAG 1 8 8 NAG NAG A . L 7 NAG 2 9 9 NAG NAG A . M 8 XXD 1 677 3 XXD XXX A . N 9 HOH 1 2 2 HOH HOH A . N 9 HOH 2 5 5 HOH HOH A . N 9 HOH 3 6 6 HOH HOH A . N 9 HOH 4 7 7 HOH HOH A . N 9 HOH 5 10 10 HOH HOH A . N 9 HOH 6 11 11 HOH HOH A . N 9 HOH 7 12 12 HOH HOH A . N 9 HOH 8 13 13 HOH HOH A . N 9 HOH 9 14 14 HOH HOH A . N 9 HOH 10 15 15 HOH HOH A . N 9 HOH 11 16 16 HOH HOH A . N 9 HOH 12 17 17 HOH HOH A . N 9 HOH 13 18 18 HOH HOH A . N 9 HOH 14 19 19 HOH HOH A . N 9 HOH 15 20 20 HOH HOH A . N 9 HOH 16 21 21 HOH HOH A . N 9 HOH 17 22 22 HOH HOH A . N 9 HOH 18 23 23 HOH HOH A . N 9 HOH 19 24 24 HOH HOH A . N 9 HOH 20 25 25 HOH HOH A . N 9 HOH 21 26 26 HOH HOH A . N 9 HOH 22 27 27 HOH HOH A . N 9 HOH 23 28 28 HOH HOH A . N 9 HOH 24 29 29 HOH HOH A . N 9 HOH 25 30 30 HOH HOH A . N 9 HOH 26 31 31 HOH HOH A . N 9 HOH 27 32 32 HOH HOH A . N 9 HOH 28 33 33 HOH HOH A . N 9 HOH 29 34 34 HOH HOH A . N 9 HOH 30 35 35 HOH HOH A . N 9 HOH 31 36 36 HOH HOH A . N 9 HOH 32 37 37 HOH HOH A . N 9 HOH 33 38 38 HOH HOH A . N 9 HOH 34 39 39 HOH HOH A . N 9 HOH 35 40 40 HOH HOH A . N 9 HOH 36 41 41 HOH HOH A . N 9 HOH 37 42 42 HOH HOH A . N 9 HOH 38 43 43 HOH HOH A . N 9 HOH 39 45 45 HOH HOH A . N 9 HOH 40 46 46 HOH HOH A . N 9 HOH 41 47 47 HOH HOH A . N 9 HOH 42 48 48 HOH HOH A . N 9 HOH 43 49 49 HOH HOH A . N 9 HOH 44 50 50 HOH HOH A . N 9 HOH 45 51 51 HOH HOH A . N 9 HOH 46 52 52 HOH HOH A . N 9 HOH 47 53 53 HOH HOH A . N 9 HOH 48 54 54 HOH HOH A . N 9 HOH 49 55 55 HOH HOH A . N 9 HOH 50 56 56 HOH HOH A . N 9 HOH 51 57 57 HOH HOH A . N 9 HOH 52 58 58 HOH HOH A . N 9 HOH 53 60 60 HOH HOH A . N 9 HOH 54 61 61 HOH HOH A . N 9 HOH 55 62 62 HOH HOH A . N 9 HOH 56 63 63 HOH HOH A . N 9 HOH 57 64 64 HOH HOH A . N 9 HOH 58 65 65 HOH HOH A . N 9 HOH 59 66 66 HOH HOH A . N 9 HOH 60 67 67 HOH HOH A . N 9 HOH 61 68 68 HOH HOH A . N 9 HOH 62 69 69 HOH HOH A . N 9 HOH 63 70 70 HOH HOH A . N 9 HOH 64 71 71 HOH HOH A . N 9 HOH 65 72 72 HOH HOH A . N 9 HOH 66 73 73 HOH HOH A . N 9 HOH 67 74 74 HOH HOH A . N 9 HOH 68 75 75 HOH HOH A . N 9 HOH 69 76 76 HOH HOH A . N 9 HOH 70 77 77 HOH HOH A . N 9 HOH 71 78 78 HOH HOH A . N 9 HOH 72 79 79 HOH HOH A . N 9 HOH 73 80 80 HOH HOH A . N 9 HOH 74 83 83 HOH HOH A . N 9 HOH 75 86 86 HOH HOH A . N 9 HOH 76 87 87 HOH HOH A . N 9 HOH 77 88 88 HOH HOH A . N 9 HOH 78 89 89 HOH HOH A . N 9 HOH 79 90 90 HOH HOH A . N 9 HOH 80 91 91 HOH HOH A . N 9 HOH 81 92 92 HOH HOH A . N 9 HOH 82 93 93 HOH HOH A . N 9 HOH 83 94 94 HOH HOH A . N 9 HOH 84 95 95 HOH HOH A . N 9 HOH 85 96 96 HOH HOH A . N 9 HOH 86 97 97 HOH HOH A . N 9 HOH 87 98 98 HOH HOH A . N 9 HOH 88 100 100 HOH HOH A . N 9 HOH 89 101 101 HOH HOH A . N 9 HOH 90 102 102 HOH HOH A . N 9 HOH 91 103 103 HOH HOH A . N 9 HOH 92 104 104 HOH HOH A . N 9 HOH 93 105 105 HOH HOH A . N 9 HOH 94 106 106 HOH HOH A . N 9 HOH 95 107 107 HOH HOH A . N 9 HOH 96 108 108 HOH HOH A . N 9 HOH 97 110 110 HOH HOH A . N 9 HOH 98 111 111 HOH HOH A . N 9 HOH 99 112 112 HOH HOH A . N 9 HOH 100 113 113 HOH HOH A . N 9 HOH 101 114 114 HOH HOH A . N 9 HOH 102 115 115 HOH HOH A . N 9 HOH 103 116 116 HOH HOH A . N 9 HOH 104 117 117 HOH HOH A . N 9 HOH 105 118 118 HOH HOH A . N 9 HOH 106 119 119 HOH HOH A . N 9 HOH 107 120 120 HOH HOH A . N 9 HOH 108 121 121 HOH HOH A . N 9 HOH 109 122 122 HOH HOH A . N 9 HOH 110 124 124 HOH HOH A . N 9 HOH 111 125 125 HOH HOH A . N 9 HOH 112 127 127 HOH HOH A . N 9 HOH 113 128 128 HOH HOH A . N 9 HOH 114 129 129 HOH HOH A . N 9 HOH 115 130 130 HOH HOH A . N 9 HOH 116 131 131 HOH HOH A . N 9 HOH 117 132 132 HOH HOH A . N 9 HOH 118 133 133 HOH HOH A . N 9 HOH 119 134 134 HOH HOH A . N 9 HOH 120 135 135 HOH HOH A . N 9 HOH 121 136 136 HOH HOH A . N 9 HOH 122 137 137 HOH HOH A . N 9 HOH 123 138 138 HOH HOH A . N 9 HOH 124 140 140 HOH HOH A . N 9 HOH 125 141 141 HOH HOH A . N 9 HOH 126 142 142 HOH HOH A . N 9 HOH 127 143 143 HOH HOH A . N 9 HOH 128 144 144 HOH HOH A . N 9 HOH 129 145 145 HOH HOH A . N 9 HOH 130 146 146 HOH HOH A . N 9 HOH 131 147 147 HOH HOH A . N 9 HOH 132 148 148 HOH HOH A . N 9 HOH 133 149 149 HOH HOH A . N 9 HOH 134 150 150 HOH HOH A . N 9 HOH 135 151 151 HOH HOH A . N 9 HOH 136 152 152 HOH HOH A . N 9 HOH 137 153 153 HOH HOH A . N 9 HOH 138 154 154 HOH HOH A . N 9 HOH 139 156 156 HOH HOH A . N 9 HOH 140 157 157 HOH HOH A . N 9 HOH 141 158 158 HOH HOH A . N 9 HOH 142 159 159 HOH HOH A . N 9 HOH 143 160 160 HOH HOH A . N 9 HOH 144 161 161 HOH HOH A . N 9 HOH 145 162 162 HOH HOH A . N 9 HOH 146 163 163 HOH HOH A . N 9 HOH 147 164 164 HOH HOH A . N 9 HOH 148 165 165 HOH HOH A . N 9 HOH 149 166 166 HOH HOH A . N 9 HOH 150 167 167 HOH HOH A . N 9 HOH 151 168 168 HOH HOH A . N 9 HOH 152 169 169 HOH HOH A . N 9 HOH 153 170 170 HOH HOH A . N 9 HOH 154 171 171 HOH HOH A . N 9 HOH 155 172 172 HOH HOH A . N 9 HOH 156 173 173 HOH HOH A . N 9 HOH 157 174 174 HOH HOH A . N 9 HOH 158 176 176 HOH HOH A . N 9 HOH 159 177 177 HOH HOH A . N 9 HOH 160 178 178 HOH HOH A . N 9 HOH 161 179 179 HOH HOH A . N 9 HOH 162 180 180 HOH HOH A . N 9 HOH 163 181 181 HOH HOH A . N 9 HOH 164 182 182 HOH HOH A . N 9 HOH 165 183 183 HOH HOH A . N 9 HOH 166 184 184 HOH HOH A . N 9 HOH 167 185 185 HOH HOH A . N 9 HOH 168 186 186 HOH HOH A . N 9 HOH 169 187 187 HOH HOH A . N 9 HOH 170 188 188 HOH HOH A . N 9 HOH 171 189 189 HOH HOH A . N 9 HOH 172 190 190 HOH HOH A . N 9 HOH 173 191 191 HOH HOH A . N 9 HOH 174 192 192 HOH HOH A . N 9 HOH 175 193 193 HOH HOH A . N 9 HOH 176 194 194 HOH HOH A . N 9 HOH 177 195 195 HOH HOH A . N 9 HOH 178 196 196 HOH HOH A . N 9 HOH 179 197 197 HOH HOH A . N 9 HOH 180 198 198 HOH HOH A . N 9 HOH 181 199 199 HOH HOH A . N 9 HOH 182 201 201 HOH HOH A . N 9 HOH 183 203 203 HOH HOH A . N 9 HOH 184 204 204 HOH HOH A . N 9 HOH 185 205 205 HOH HOH A . N 9 HOH 186 206 206 HOH HOH A . N 9 HOH 187 207 207 HOH HOH A . N 9 HOH 188 208 208 HOH HOH A . N 9 HOH 189 209 209 HOH HOH A . N 9 HOH 190 210 210 HOH HOH A . N 9 HOH 191 211 211 HOH HOH A . N 9 HOH 192 212 212 HOH HOH A . N 9 HOH 193 213 213 HOH HOH A . N 9 HOH 194 214 214 HOH HOH A . N 9 HOH 195 215 215 HOH HOH A . N 9 HOH 196 216 216 HOH HOH A . N 9 HOH 197 217 217 HOH HOH A . N 9 HOH 198 218 218 HOH HOH A . N 9 HOH 199 219 219 HOH HOH A . N 9 HOH 200 220 220 HOH HOH A . N 9 HOH 201 221 221 HOH HOH A . N 9 HOH 202 222 222 HOH HOH A . N 9 HOH 203 223 223 HOH HOH A . N 9 HOH 204 224 224 HOH HOH A . N 9 HOH 205 225 225 HOH HOH A . N 9 HOH 206 226 226 HOH HOH A . N 9 HOH 207 227 227 HOH HOH A . N 9 HOH 208 228 228 HOH HOH A . N 9 HOH 209 229 229 HOH HOH A . N 9 HOH 210 230 230 HOH HOH A . N 9 HOH 211 231 231 HOH HOH A . N 9 HOH 212 232 232 HOH HOH A . N 9 HOH 213 233 233 HOH HOH A . N 9 HOH 214 234 234 HOH HOH A . N 9 HOH 215 235 235 HOH HOH A . N 9 HOH 216 236 236 HOH HOH A . N 9 HOH 217 237 237 HOH HOH A . N 9 HOH 218 238 238 HOH HOH A . N 9 HOH 219 239 239 HOH HOH A . N 9 HOH 220 240 240 HOH HOH A . N 9 HOH 221 241 241 HOH HOH A . N 9 HOH 222 242 242 HOH HOH A . N 9 HOH 223 243 243 HOH HOH A . N 9 HOH 224 244 244 HOH HOH A . N 9 HOH 225 245 245 HOH HOH A . N 9 HOH 226 246 246 HOH HOH A . N 9 HOH 227 247 247 HOH HOH A . N 9 HOH 228 248 248 HOH HOH A . N 9 HOH 229 249 249 HOH HOH A . N 9 HOH 230 250 250 HOH HOH A . N 9 HOH 231 251 251 HOH HOH A . N 9 HOH 232 252 252 HOH HOH A . N 9 HOH 233 253 253 HOH HOH A . N 9 HOH 234 254 254 HOH HOH A . N 9 HOH 235 255 255 HOH HOH A . N 9 HOH 236 256 256 HOH HOH A . N 9 HOH 237 257 257 HOH HOH A . N 9 HOH 238 258 258 HOH HOH A . N 9 HOH 239 259 259 HOH HOH A . N 9 HOH 240 260 260 HOH HOH A . N 9 HOH 241 261 261 HOH HOH A . N 9 HOH 242 262 262 HOH HOH A . N 9 HOH 243 263 263 HOH HOH A . N 9 HOH 244 264 264 HOH HOH A . N 9 HOH 245 265 265 HOH HOH A . N 9 HOH 246 266 266 HOH HOH A . N 9 HOH 247 267 267 HOH HOH A . N 9 HOH 248 268 268 HOH HOH A . N 9 HOH 249 269 269 HOH HOH A . N 9 HOH 250 270 270 HOH HOH A . N 9 HOH 251 271 271 HOH HOH A . N 9 HOH 252 272 272 HOH HOH A . N 9 HOH 253 273 273 HOH HOH A . N 9 HOH 254 275 275 HOH HOH A . N 9 HOH 255 276 276 HOH HOH A . N 9 HOH 256 277 277 HOH HOH A . N 9 HOH 257 278 278 HOH HOH A . N 9 HOH 258 279 279 HOH HOH A . N 9 HOH 259 280 280 HOH HOH A . N 9 HOH 260 281 281 HOH HOH A . N 9 HOH 261 282 282 HOH HOH A . N 9 HOH 262 283 283 HOH HOH A . N 9 HOH 263 284 284 HOH HOH A . N 9 HOH 264 285 285 HOH HOH A . N 9 HOH 265 286 286 HOH HOH A . N 9 HOH 266 287 287 HOH HOH A . N 9 HOH 267 288 288 HOH HOH A . N 9 HOH 268 289 289 HOH HOH A . N 9 HOH 269 290 290 HOH HOH A . N 9 HOH 270 291 291 HOH HOH A . N 9 HOH 271 292 292 HOH HOH A . N 9 HOH 272 293 293 HOH HOH A . N 9 HOH 273 294 294 HOH HOH A . N 9 HOH 274 295 295 HOH HOH A . N 9 HOH 275 296 296 HOH HOH A . N 9 HOH 276 298 298 HOH HOH A . N 9 HOH 277 299 299 HOH HOH A . N 9 HOH 278 300 300 HOH HOH A . N 9 HOH 279 301 301 HOH HOH A . N 9 HOH 280 302 302 HOH HOH A . N 9 HOH 281 303 303 HOH HOH A . N 9 HOH 282 305 305 HOH HOH A . N 9 HOH 283 306 306 HOH HOH A . N 9 HOH 284 307 307 HOH HOH A . N 9 HOH 285 308 308 HOH HOH A . N 9 HOH 286 309 309 HOH HOH A . N 9 HOH 287 310 310 HOH HOH A . N 9 HOH 288 311 311 HOH HOH A . N 9 HOH 289 312 312 HOH HOH A . N 9 HOH 290 313 313 HOH HOH A . N 9 HOH 291 314 314 HOH HOH A . N 9 HOH 292 315 315 HOH HOH A . N 9 HOH 293 316 316 HOH HOH A . N 9 HOH 294 317 317 HOH HOH A . N 9 HOH 295 318 318 HOH HOH A . N 9 HOH 296 319 319 HOH HOH A . N 9 HOH 297 320 320 HOH HOH A . N 9 HOH 298 321 321 HOH HOH A . N 9 HOH 299 322 322 HOH HOH A . N 9 HOH 300 678 1 HOH HOH A . N 9 HOH 301 679 3 HOH HOH A . N 9 HOH 302 680 8 HOH HOH A . N 9 HOH 303 681 9 HOH HOH A . N 9 HOH 304 682 81 HOH HOH A . N 9 HOH 305 683 82 HOH HOH A . N 9 HOH 306 684 84 HOH HOH A . N 9 HOH 307 685 85 HOH HOH A . O 9 HOH 1 274 274 HOH HOH B . O 9 HOH 2 297 297 HOH HOH B . O 9 HOH 3 304 304 HOH HOH B . #