data_3SDF # _entry.id 3SDF # _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 3SDF RCSB RCSB066068 WWPDB D_1000066068 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 3RGY _pdbx_database_related.details Model _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3SDF _pdbx_database_status.recvd_initial_deposition_date 2011-06-09 _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 'Bhushan, A.' 4 'Kaur, P.' 5 'Sharma, S.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title 'Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Lipoteichoic acid at 2.1 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 'Bhushan, A.' 4 primary 'Kaur, P.' 5 primary 'Sharma, S.' 6 primary 'Singh, T.P.' 7 # _cell.entry_id 3SDF _cell.length_a 63.417 _cell.length_b 50.398 _cell.length_c 65.944 _cell.angle_alpha 90.00 _cell.angle_beta 107.72 _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 3SDF _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 37655.504 1 3.4.21.- ? 'UNP RESIDUES 361-705' ? 2 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 3 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 4 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 6 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 7 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 8 non-polymer syn ;(2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate ; 774.979 1 ? ? ? ? 9 water nat water 18.015 287 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Lactoferrin, Lactoferricin-B, Lfcin-B' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_seq_one_letter_code_can ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 TYR n 1 2 THR n 1 3 ARG n 1 4 VAL n 1 5 VAL n 1 6 TRP n 1 7 CYS n 1 8 ALA n 1 9 VAL n 1 10 GLY n 1 11 PRO n 1 12 GLU n 1 13 GLU n 1 14 GLN n 1 15 LYS n 1 16 LYS n 1 17 CYS n 1 18 GLN n 1 19 GLN n 1 20 TRP n 1 21 SER n 1 22 GLN n 1 23 GLN n 1 24 SER n 1 25 GLY n 1 26 GLN n 1 27 ASN n 1 28 VAL n 1 29 THR n 1 30 CYS n 1 31 ALA n 1 32 THR n 1 33 ALA n 1 34 SER n 1 35 THR n 1 36 THR n 1 37 ASP n 1 38 ASP n 1 39 CYS n 1 40 ILE n 1 41 VAL n 1 42 LEU n 1 43 VAL n 1 44 LEU n 1 45 LYS n 1 46 GLY n 1 47 GLU n 1 48 ALA n 1 49 ASP n 1 50 ALA n 1 51 LEU n 1 52 ASN n 1 53 LEU n 1 54 ASP n 1 55 GLY n 1 56 GLY n 1 57 TYR n 1 58 ILE n 1 59 TYR n 1 60 THR n 1 61 ALA n 1 62 GLY n 1 63 LYS n 1 64 CYS n 1 65 GLY n 1 66 LEU n 1 67 VAL n 1 68 PRO n 1 69 VAL n 1 70 LEU n 1 71 ALA n 1 72 GLU n 1 73 ASN n 1 74 ARG n 1 75 LYS n 1 76 SER n 1 77 SER n 1 78 LYS n 1 79 HIS n 1 80 SER n 1 81 SER n 1 82 LEU n 1 83 ASP n 1 84 CYS n 1 85 VAL n 1 86 LEU n 1 87 ARG n 1 88 PRO n 1 89 THR n 1 90 GLU n 1 91 GLY n 1 92 TYR n 1 93 LEU n 1 94 ALA n 1 95 VAL n 1 96 ALA n 1 97 VAL n 1 98 VAL n 1 99 LYS n 1 100 LYS n 1 101 ALA n 1 102 ASN n 1 103 GLU n 1 104 GLY n 1 105 LEU n 1 106 THR n 1 107 TRP n 1 108 ASN n 1 109 SER n 1 110 LEU n 1 111 LYS n 1 112 ASP n 1 113 LYS n 1 114 LYS n 1 115 SER n 1 116 CYS n 1 117 HIS n 1 118 THR n 1 119 ALA n 1 120 VAL n 1 121 ASP n 1 122 ARG n 1 123 THR n 1 124 ALA n 1 125 GLY n 1 126 TRP n 1 127 ASN n 1 128 ILE n 1 129 PRO n 1 130 MET n 1 131 GLY n 1 132 LEU n 1 133 ILE n 1 134 VAL n 1 135 ASN n 1 136 GLN n 1 137 THR n 1 138 GLY n 1 139 SER n 1 140 CYS n 1 141 ALA n 1 142 PHE n 1 143 ASP n 1 144 GLU n 1 145 PHE n 1 146 PHE n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 CYS n 1 151 ALA n 1 152 PRO n 1 153 GLY n 1 154 ALA n 1 155 ASP n 1 156 PRO n 1 157 LYS n 1 158 SER n 1 159 ARG n 1 160 LEU n 1 161 CYS n 1 162 ALA n 1 163 LEU n 1 164 CYS n 1 165 ALA n 1 166 GLY n 1 167 ASP n 1 168 ASP n 1 169 GLN n 1 170 GLY n 1 171 LEU n 1 172 ASP n 1 173 LYS n 1 174 CYS n 1 175 VAL n 1 176 PRO n 1 177 ASN n 1 178 SER n 1 179 LYS n 1 180 GLU n 1 181 LYS n 1 182 TYR n 1 183 TYR n 1 184 GLY n 1 185 TYR n 1 186 THR n 1 187 GLY n 1 188 ALA n 1 189 PHE n 1 190 ARG n 1 191 CYS n 1 192 LEU n 1 193 ALA n 1 194 GLU n 1 195 ASP n 1 196 VAL n 1 197 GLY n 1 198 ASP n 1 199 VAL n 1 200 ALA n 1 201 PHE n 1 202 VAL n 1 203 LYS n 1 204 ASN n 1 205 ASP n 1 206 THR n 1 207 VAL n 1 208 TRP n 1 209 GLU n 1 210 ASN n 1 211 THR n 1 212 ASN n 1 213 GLY n 1 214 GLU n 1 215 SER n 1 216 THR n 1 217 ALA n 1 218 ASP n 1 219 TRP n 1 220 ALA n 1 221 LYS n 1 222 ASN n 1 223 LEU n 1 224 LYS n 1 225 ARG n 1 226 GLU n 1 227 ASP n 1 228 PHE n 1 229 ARG n 1 230 LEU n 1 231 LEU n 1 232 CYS n 1 233 LEU n 1 234 ASP n 1 235 GLY n 1 236 THR n 1 237 ARG n 1 238 LYS n 1 239 PRO n 1 240 VAL n 1 241 THR n 1 242 GLU n 1 243 ALA n 1 244 GLN n 1 245 SER n 1 246 CYS n 1 247 HIS n 1 248 LEU n 1 249 ALA n 1 250 VAL n 1 251 ALA n 1 252 PRO n 1 253 ASN n 1 254 HIS n 1 255 ALA n 1 256 VAL n 1 257 VAL n 1 258 SER n 1 259 ARG n 1 260 SER n 1 261 ASP n 1 262 ARG n 1 263 ALA n 1 264 ALA n 1 265 HIS n 1 266 VAL n 1 267 GLU n 1 268 GLN n 1 269 VAL n 1 270 LEU n 1 271 LEU n 1 272 HIS n 1 273 GLN n 1 274 GLN n 1 275 ALA n 1 276 LEU n 1 277 PHE n 1 278 GLY n 1 279 LYS n 1 280 ASN n 1 281 GLY n 1 282 LYS n 1 283 ASN n 1 284 CYS n 1 285 PRO n 1 286 ASP n 1 287 LYS n 1 288 PHE n 1 289 CYS n 1 290 LEU n 1 291 PHE n 1 292 LYS n 1 293 SER n 1 294 GLU n 1 295 THR n 1 296 LYS n 1 297 ASN n 1 298 LEU n 1 299 LEU n 1 300 PHE n 1 301 ASN n 1 302 ASP n 1 303 ASN n 1 304 THR n 1 305 GLU n 1 306 CYS n 1 307 LEU n 1 308 ALA n 1 309 LYS n 1 310 LEU n 1 311 GLY n 1 312 GLY n 1 313 ARG n 1 314 PRO n 1 315 THR n 1 316 TYR n 1 317 GLU n 1 318 GLU n 1 319 TYR n 1 320 LEU n 1 321 GLY n 1 322 THR n 1 323 GLU n 1 324 TYR n 1 325 VAL n 1 326 THR n 1 327 ALA n 1 328 ILE n 1 329 ALA n 1 330 ASN n 1 331 LEU n 1 332 LYS n 1 333 LYS n 1 334 CYS n 1 335 SER n 1 336 THR n 1 337 SER n 1 338 PRO n 1 339 LEU n 1 340 LEU n 1 341 GLU n 1 342 ALA n 1 343 CYS n 1 344 ALA n 1 345 PHE n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name bovine _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRFL_BOVIN _struct_ref.pdbx_db_accession P24627 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _struct_ref.pdbx_align_begin 361 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3SDF _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 345 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P24627 _struct_ref_seq.db_align_beg 361 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 705 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 342 _struct_ref_seq.pdbx_auth_seq_align_end 686 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3SDF LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3SDF GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LTC non-polymer . ;(2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate ; 'Lipoteichoic acid' 'C39 H70 N2 O13' 774.979 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 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 3SDF _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.67 _exptl_crystal.density_percent_sol 53.86 _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 300 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2011-05-18 _diffrn_detector.details mirror # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator Graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.541 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.541 # _reflns.entry_id 3SDF _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 62.82 _reflns.d_resolution_high 2.1 _reflns.number_obs 21244 _reflns.number_all 21475 _reflns.percent_possible_obs 94.3 _reflns.pdbx_Rmerge_I_obs 0.0 _reflns.pdbx_Rsym_value 0.059 _reflns.pdbx_netI_over_sigmaI 12 _reflns.B_iso_Wilson_estimate 31.1 _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 2.10 _reflns_shell.d_res_low 2.18 _reflns_shell.percent_possible_all 94.5 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.272 _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 3SDF _refine.ls_number_reflns_obs 21244 _refine.ls_number_reflns_all 21475 _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 62.0 _refine.ls_d_res_high 2.10 _refine.ls_percent_reflns_obs 95.74 _refine.ls_R_factor_obs 0.19910 _refine.ls_R_factor_all 0.19910 _refine.ls_R_factor_R_work 0.19708 _refine.ls_R_factor_R_free 0.23441 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.2 _refine.ls_number_reflns_R_free 1167 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.949 _refine.correlation_coeff_Fo_to_Fc_free 0.930 _refine.B_iso_mean 36.118 _refine.aniso_B[1][1] 0.07 _refine.aniso_B[2][2] -0.67 _refine.aniso_B[3][3] -0.17 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.26 _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 3RGY _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _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 0.192 _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _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 147 _refine_hist.number_atoms_solvent 287 _refine_hist.number_atoms_total 3038 _refine_hist.d_res_high 2.10 _refine_hist.d_res_low 62.0 # 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 0.007 0.022 ? 2809 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.246 2.004 ? 3811 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 4.025 5.000 ? 339 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 37.785 25.169 ? 118 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 14.396 15.000 ? 448 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15.135 15.000 ? 12 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.073 0.200 ? 439 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.004 0.021 ? 2052 ? 'X-RAY DIFFRACTION' r_mcbond_it 0.628 1.500 ? 1692 ? 'X-RAY DIFFRACTION' r_mcangle_it 1.168 2.000 ? 2699 ? 'X-RAY DIFFRACTION' r_scbond_it 1.033 3.000 ? 1117 ? 'X-RAY DIFFRACTION' r_scangle_it 1.807 4.500 ? 1112 ? '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 2.100 _refine_ls_shell.d_res_low 2.155 _refine_ls_shell.number_reflns_R_work 1528 _refine_ls_shell.R_factor_R_work 0.258 _refine_ls_shell.percent_reflns_obs 95.54 _refine_ls_shell.R_factor_R_free 0.328 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 78 _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 3SDF _struct.title 'Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Lipoteichoic acid at 2.1 A Resolution' _struct.pdbx_descriptor 'Lactotransferrin (E.C.3.4.21.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3SDF _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'Complex, C-Lobe, Lipoteichoic acid, Iron binding, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 5 ? G N N 6 ? H N N 6 ? I N N 6 ? J N N 7 ? K N N 6 ? L N N 6 ? M N N 8 ? N N N 9 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P5 5 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P6 6 ALA A 141 ? PHE A 145 ? ALA A 482 PHE A 486 5 ? 5 HELX_P HELX_P7 7 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 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 ? LYS A 332 ? THR A 656 LYS A 673 1 ? 18 # _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 ? ? ? ? ? ? ? 2.031 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.029 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.035 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.033 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.034 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.034 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.036 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.029 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.035 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.031 ? covale1 covale ? ? I NAG . O4 ? ? ? 1_555 J BMA . C1 ? ? A NAG 4 A BMA 5 1_555 ? ? ? ? ? ? ? 1.424 ? covale2 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 3 A NAG 4 1_555 ? ? ? ? ? ? ? 1.446 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 545 A NAG 8 1_555 ? ? ? ? ? ? ? 1.449 ? covale4 covale ? ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? A NAG 8 A NAG 9 1_555 ? ? ? ? ? ? ? 1.455 ? covale5 covale ? ? A ASN 135 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 476 A NAG 3 1_555 ? ? ? ? ? ? ? 1.458 ? metalc1 metalc ? ? A TYR 185 OH ? ? ? 1_555 D FE . FE ? ? A TYR 526 A FE 84 1_555 ? ? ? ? ? ? ? 1.923 ? metalc2 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 588 A ZN 82 1_555 ? ? ? ? ? ? ? 2.045 ? metalc3 metalc ? ? A TYR 92 OH ? ? ? 1_555 D FE . FE ? ? A TYR 433 A FE 84 1_555 ? ? ? ? ? ? ? 2.055 ? metalc4 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 D FE . FE ? ? A ASP 395 A FE 84 1_555 ? ? ? ? ? ? ? 2.058 ? metalc5 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 B ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.097 ? metalc6 metalc ? ? D FE . FE ? ? ? 1_555 E CO3 . O2 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.130 ? metalc7 metalc ? ? D FE . FE ? ? ? 1_555 E CO3 . O1 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.147 ? metalc8 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 D FE . FE ? ? A HIS 595 A FE 84 1_555 ? ? ? ? ? ? ? 2.330 ? metalc9 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 B ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.429 ? # 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 5.17 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ASN A 73 ? LEU A 407 ASN A 414 B 4 CYS A 306 ? ALA A 308 ? CYS A 647 ALA A 649 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 VAL A 98 ? N VAL A 439 O ARG A 229 ? O ARG A 570 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 D 3 4 O 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 ? ? ? ? 1 '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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 692' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 1' AC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 3' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 4' AC9 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 5' BC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 8' BC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 9' BC3 Software ? ? ? ? 16 'BINDING SITE FOR RESIDUE LTC A 172' # 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 1 HIS A 247 ? HIS A 588 . ? 1_555 ? 3 AC3 5 CO3 E . ? CO3 A 85 . ? 1_555 ? 4 AC3 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 5 AC3 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 6 AC3 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 7 AC3 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 8 AC4 10 FE D . ? FE A 84 . ? 1_555 ? 9 AC4 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 10 AC4 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 11 AC4 10 THR A 118 ? THR A 459 . ? 1_555 ? 12 AC4 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 13 AC4 10 THR A 123 ? THR A 464 . ? 1_555 ? 14 AC4 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 15 AC4 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 16 AC4 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 17 AC4 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 18 AC5 5 LYS A 100 ? LYS A 441 . ? 1_555 ? 19 AC5 5 ARG A 229 ? ARG A 570 . ? 1_555 ? 20 AC5 5 ARG A 237 ? ARG A 578 . ? 1_555 ? 21 AC5 5 HOH N . ? HOH A 932 . ? 1_555 ? 22 AC5 5 HOH N . ? HOH A 1003 . ? 1_555 ? 23 AC6 6 SER A 24 ? SER A 365 . ? 1_555 ? 24 AC6 6 ASN A 27 ? ASN A 368 . ? 1_555 ? 25 AC6 6 HIS A 272 ? HIS A 613 . ? 1_555 ? 26 AC6 6 GLN A 273 ? GLN A 614 . ? 1_555 ? 27 AC6 6 LEU A 276 ? LEU A 617 . ? 1_555 ? 28 AC6 6 HOH N . ? HOH A 829 . ? 1_555 ? 29 AC7 4 NAG I . ? NAG A 4 . ? 1_555 ? 30 AC7 4 ASN A 135 ? ASN A 476 . ? 1_555 ? 31 AC7 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 32 AC7 4 HOH N . ? HOH A 861 . ? 1_555 ? 33 AC8 5 NAG H . ? NAG A 3 . ? 1_555 ? 34 AC8 5 BMA J . ? BMA A 5 . ? 1_555 ? 35 AC8 5 THR A 326 ? THR A 667 . ? 1_555 ? 36 AC8 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 37 AC8 5 HOH N . ? HOH A 877 . ? 1_555 ? 38 AC9 2 NAG I . ? NAG A 4 . ? 1_555 ? 39 AC9 2 HOH N . ? HOH A 996 . ? 1_555 ? 40 BC1 6 NAG L . ? NAG A 9 . ? 1_555 ? 41 BC1 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 42 BC1 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 43 BC1 6 HOH N . ? HOH A 893 . ? 1_555 ? 44 BC1 6 HOH N . ? HOH A 972 . ? 1_555 ? 45 BC1 6 HOH N . ? HOH A 999 . ? 1_555 ? 46 BC2 3 NAG K . ? NAG A 8 . ? 1_555 ? 47 BC2 3 SER A 77 ? SER A 418 . ? 1_555 ? 48 BC2 3 HOH N . ? HOH A 870 . ? 1_555 ? 49 BC3 16 LYS A 78 ? LYS A 419 . ? 1_555 ? 50 BC3 16 HIS A 79 ? HIS A 420 . ? 1_555 ? 51 BC3 16 PRO A 88 ? PRO A 429 . ? 1_555 ? 52 BC3 16 THR A 89 ? THR A 430 . ? 1_555 ? 53 BC3 16 GLU A 90 ? GLU A 431 . ? 1_555 ? 54 BC3 16 GLY A 91 ? GLY A 432 . ? 1_555 ? 55 BC3 16 ASP A 168 ? ASP A 509 . ? 1_565 ? 56 BC3 16 VAL A 250 ? VAL A 591 . ? 1_555 ? 57 BC3 16 PRO A 252 ? PRO A 593 . ? 1_555 ? 58 BC3 16 GLU A 318 ? GLU A 659 . ? 1_555 ? 59 BC3 16 TYR A 319 ? TYR A 660 . ? 1_555 ? 60 BC3 16 GLY A 321 ? GLY A 662 . ? 1_555 ? 61 BC3 16 THR A 322 ? THR A 663 . ? 1_555 ? 62 BC3 16 HOH N . ? HOH A 994 . ? 1_555 ? 63 BC3 16 HOH N . ? HOH A 1001 . ? 1_555 ? 64 BC3 16 HOH N . ? HOH A 1005 . ? 1_555 ? # _database_PDB_matrix.entry_id 3SDF _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 3SDF _atom_sites.fract_transf_matrix[1][1] 0.015769 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005038 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019842 _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] 0.015920 _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 ? 11.164 12.705 29.104 1.00 58.05 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 10.108 12.092 29.968 1.00 57.91 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 8.804 11.926 29.186 1.00 56.97 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 7.749 11.632 29.758 1.00 57.06 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 9.878 12.944 31.223 1.00 58.42 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 11.140 13.395 31.940 1.00 59.78 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 12.163 12.492 32.244 1.00 60.94 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 11.298 14.723 32.337 1.00 60.87 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 13.317 12.906 32.906 1.00 61.64 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 12.446 15.147 33.004 1.00 61.60 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 13.450 14.233 33.284 1.00 61.90 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 14.586 14.648 33.943 1.00 62.23 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 8.901 12.105 27.871 1.00 55.39 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 7.751 12.058 26.971 1.00 53.53 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 7.767 10.602 26.501 1.00 51.71 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 8.163 10.306 25.368 1.00 51.68 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 7.945 13.015 25.771 1.00 53.79 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 9.159 12.684 25.084 1.00 53.92 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 8.010 14.466 26.239 1.00 53.85 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 7.336 9.695 27.374 1.00 49.03 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 7.048 8.311 27.015 1.00 46.22 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 5.560 8.011 27.201 1.00 43.62 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 4.972 8.360 28.227 1.00 43.42 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 7.907 7.353 27.844 1.00 46.67 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 7.962 5.941 27.289 1.00 47.72 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 9.030 5.085 27.971 1.00 49.73 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 8.749 4.832 29.385 1.00 51.18 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 7.732 4.100 29.840 1.00 51.98 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 6.863 3.542 29.004 1.00 52.27 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 7.576 3.933 31.146 1.00 52.29 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 4.963 7.366 26.201 1.00 40.13 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 3.530 7.061 26.206 1.00 36.63 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 3.268 5.554 26.201 1.00 34.31 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 3.839 4.818 25.396 1.00 33.96 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 2.802 7.759 25.018 1.00 36.73 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 1.529 7.012 24.608 1.00 36.43 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 2.483 9.208 25.370 1.00 36.33 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 2.403 5.109 27.109 1.00 31.40 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 2.016 3.703 27.192 1.00 28.85 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 0.668 3.488 26.504 1.00 27.38 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? -0.368 3.965 26.975 1.00 26.97 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 1.950 3.202 28.659 1.00 28.81 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 1.551 1.728 28.710 1.00 28.52 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 3.291 3.410 29.362 1.00 28.60 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 0.697 2.773 25.384 1.00 25.83 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? -0.508 2.460 24.626 1.00 24.73 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? -1.189 1.222 25.205 1.00 24.13 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? -0.511 0.327 25.713 1.00 24.12 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? -0.161 2.227 23.154 1.00 24.57 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? -1.327 2.469 22.273 1.00 24.07 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? -2.193 1.537 21.782 1.00 23.76 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? -1.791 3.737 21.810 1.00 23.56 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? -3.165 2.148 21.027 1.00 23.95 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? -2.943 3.500 21.029 1.00 23.68 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? -1.344 5.056 21.977 1.00 23.47 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? -3.655 4.533 20.408 1.00 23.72 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? -2.052 6.083 21.362 1.00 23.25 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? -3.195 5.814 20.588 1.00 23.60 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? -2.518 1.168 25.143 1.00 23.39 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? -3.228 -0.039 25.570 1.00 22.73 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? -3.731 -0.833 24.374 1.00 22.70 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? -4.579 -0.363 23.611 1.00 22.67 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? -4.384 0.279 26.524 1.00 22.62 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? -4.903 -1.156 27.519 1.00 21.59 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? -3.189 -2.037 24.219 1.00 22.66 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? -3.594 -2.946 23.158 1.00 22.56 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? -4.690 -3.879 23.660 1.00 22.49 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? -4.644 -4.349 24.799 1.00 22.48 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? -2.398 -3.743 22.668 1.00 22.65 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? -5.675 -4.139 22.805 1.00 22.28 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? -6.786 -5.019 23.154 1.00 22.24 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? -6.616 -6.369 22.451 1.00 22.67 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? -6.851 -6.485 21.245 1.00 22.46 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? -8.158 -4.378 22.797 1.00 22.09 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? -9.309 -5.318 23.136 1.00 21.75 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? -8.337 -3.045 23.520 1.00 21.73 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? -6.197 -7.382 23.207 1.00 23.28 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? -5.981 -8.723 22.656 1.00 24.27 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? -4.564 -8.940 22.143 1.00 25.11 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? -3.808 -7.977 21.994 1.00 24.95 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? -4.196 -10.208 21.862 1.00 25.95 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? -2.821 -10.559 21.469 1.00 26.54 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? -2.365 -10.064 20.090 1.00 27.08 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? -1.169 -9.835 19.901 1.00 27.12 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? -2.819 -12.093 21.523 1.00 26.60 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? -4.226 -12.473 21.321 1.00 26.46 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? -5.040 -11.408 21.999 1.00 26.04 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? -3.287 -9.906 19.141 1.00 27.64 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? -2.921 -9.397 17.817 1.00 28.24 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? -2.518 -7.930 17.875 1.00 28.21 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? -1.521 -7.530 17.269 1.00 28.24 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? -4.056 -9.587 16.812 1.00 28.48 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? -4.220 -11.011 16.319 1.00 29.79 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? -5.175 -11.110 15.146 1.00 31.34 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? -6.344 -10.695 15.283 1.00 31.62 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? -4.757 -11.611 14.082 1.00 32.35 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? -3.299 -7.133 18.601 1.00 28.23 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? -2.974 -5.725 18.801 1.00 28.31 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? -1.673 -5.575 19.582 1.00 28.60 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? -0.875 -4.683 19.293 1.00 28.52 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? -4.110 -4.989 19.513 1.00 28.17 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? -5.335 -4.742 18.639 1.00 27.63 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? -6.092 -3.482 19.028 1.00 27.05 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? -5.991 -3.050 20.197 1.00 26.69 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? -6.794 -2.923 18.159 1.00 26.33 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? -1.464 -6.455 20.563 1.00 29.08 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? -0.229 -6.469 21.349 1.00 29.58 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 0.980 -6.621 20.432 1.00 29.53 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 1.969 -5.900 20.571 1.00 29.52 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? -0.254 -7.593 22.390 1.00 29.79 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 1.017 -7.694 23.233 1.00 31.06 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 0.981 -8.833 24.235 1.00 32.65 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 0.513 -9.932 23.934 1.00 33.49 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 1.487 -8.578 25.435 1.00 33.32 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 0.876 -7.556 19.490 1.00 29.59 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 1.931 -7.823 18.521 1.00 29.68 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 2.251 -6.591 17.669 1.00 29.32 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 3.423 -6.264 17.478 1.00 29.27 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 1.550 -9.017 17.641 1.00 29.95 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 2.685 -9.570 16.794 1.00 31.20 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 2.308 -10.911 16.178 1.00 33.12 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 3.265 -11.309 15.061 1.00 34.14 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 4.694 -11.415 15.527 1.00 34.84 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 1.217 -5.913 17.167 1.00 28.95 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 1.415 -4.693 16.379 1.00 28.71 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 2.027 -3.585 17.233 1.00 28.78 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 2.910 -2.857 16.774 1.00 28.66 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 0.106 -4.207 15.740 1.00 28.58 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 0.296 -3.003 14.812 1.00 28.25 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? -1.007 -2.506 14.211 1.00 27.96 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? -0.771 -1.249 13.383 1.00 27.56 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? -2.014 -0.766 12.716 1.00 27.78 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 1.557 -3.468 18.473 1.00 29.08 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 2.058 -2.455 19.394 1.00 29.56 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 3.547 -2.643 19.690 1.00 30.09 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 4.300 -1.668 19.716 1.00 30.14 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 1.240 -2.442 20.691 1.00 29.48 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 1.630 -1.068 21.803 1.00 29.16 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 3.965 -3.890 19.906 1.00 30.84 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 5.370 -4.207 20.175 1.00 31.67 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 6.281 -3.800 19.020 1.00 31.98 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 7.383 -3.293 19.242 1.00 31.99 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 5.541 -5.696 20.475 1.00 31.83 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 5.074 -6.104 21.864 1.00 32.89 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 5.038 -7.611 22.065 1.00 34.27 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 4.824 -8.089 23.179 1.00 34.75 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 5.245 -8.366 20.990 1.00 34.73 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 5.813 -4.030 17.796 1.00 32.45 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 6.526 -3.610 16.593 1.00 33.04 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 6.683 -2.093 16.570 1.00 33.00 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 7.782 -1.578 16.357 1.00 32.98 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 5.787 -4.092 15.343 1.00 33.27 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 5.958 -5.582 15.065 1.00 34.66 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 4.767 -6.204 14.347 1.00 36.40 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 3.857 -5.508 13.891 1.00 37.17 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 4.770 -7.529 14.247 1.00 36.94 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 5.575 -1.391 16.803 1.00 33.05 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 5.560 0.067 16.909 1.00 33.05 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 6.515 0.540 18.002 1.00 33.45 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 7.287 1.476 17.792 1.00 33.34 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 4.129 0.551 17.177 1.00 32.86 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 3.940 2.044 17.332 1.00 32.12 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 4.785 3.040 16.921 1.00 31.63 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 2.803 2.699 17.909 1.00 31.41 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 4.255 4.270 17.230 1.00 31.15 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 3.037 4.090 17.832 1.00 31.16 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 1.611 2.244 18.490 1.00 30.98 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 2.122 5.034 18.317 1.00 30.85 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 0.701 3.182 18.972 1.00 30.92 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 0.964 4.561 18.880 1.00 30.84 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 6.467 -0.124 19.156 1.00 34.04 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 7.337 0.200 20.285 1.00 34.84 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 8.812 0.102 19.908 1.00 35.66 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 9.598 1.001 20.218 1.00 35.61 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 7.043 -0.717 21.474 1.00 34.68 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 7.850 -0.376 22.589 1.00 34.36 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 9.174 -0.993 19.241 1.00 36.83 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 10.545 -1.219 18.793 1.00 38.06 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 11.009 -0.098 17.864 1.00 38.45 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 12.078 0.480 18.069 1.00 38.58 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 10.661 -2.576 18.095 1.00 38.27 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 12.094 -3.044 17.868 1.00 39.53 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 12.170 -4.388 17.167 1.00 40.97 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 11.407 -5.308 17.469 1.00 41.59 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 13.100 -4.510 16.227 1.00 41.40 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 10.189 0.210 16.860 1.00 38.91 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 10.507 1.239 15.869 1.00 39.32 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 10.525 2.654 16.446 1.00 39.31 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 11.235 3.523 15.936 1.00 39.37 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 9.533 1.170 14.686 1.00 39.45 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 9.551 -0.154 13.929 1.00 40.15 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 10.918 -0.492 13.361 1.00 41.00 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 11.465 0.246 12.541 1.00 41.36 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 11.473 -1.618 13.792 1.00 41.29 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 9.746 2.881 17.502 1.00 39.35 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 9.674 4.194 18.143 1.00 39.35 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 10.845 4.441 19.092 1.00 39.53 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 10.988 5.539 19.637 1.00 39.48 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 8.352 4.355 18.898 1.00 39.28 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 8.322 3.543 20.063 1.00 38.96 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 11.673 3.418 19.289 1.00 39.80 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 12.800 3.501 20.213 1.00 40.13 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 12.333 3.694 21.641 1.00 40.32 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 12.967 4.416 22.416 1.00 40.36 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 11.215 3.051 21.976 1.00 40.37 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 10.636 3.085 23.323 1.00 40.35 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 9.909 4.384 23.649 1.00 39.74 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 9.579 4.624 24.811 1.00 39.80 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 11.697 2.817 24.404 1.00 40.65 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 12.461 1.509 24.273 1.00 41.81 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 11.631 0.309 24.663 1.00 43.12 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 10.874 -0.227 23.854 1.00 43.71 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 11.777 -0.130 25.908 1.00 43.50 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 9.664 5.229 22.652 1.00 38.88 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 8.844 6.418 22.887 1.00 37.90 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 7.416 6.018 23.197 1.00 36.91 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 6.694 6.721 23.909 1.00 36.89 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 8.865 7.340 21.682 1.00 38.11 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 10.078 8.225 21.654 1.00 38.60 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 10.948 8.164 22.529 1.00 39.05 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 10.140 9.072 20.644 1.00 39.15 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 7.024 4.880 22.634 1.00 35.50 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 5.744 4.261 22.914 1.00 34.16 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 6.037 2.867 23.444 1.00 33.14 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 6.862 2.145 22.884 1.00 32.83 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 4.863 4.160 21.644 1.00 34.24 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 3.519 3.512 21.965 1.00 34.27 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 4.649 5.537 21.020 1.00 34.28 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 5.383 2.509 24.543 1.00 32.00 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 5.468 1.159 25.088 1.00 31.00 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 4.052 0.607 25.194 1.00 30.48 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 3.082 1.344 24.997 1.00 30.32 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 6.158 1.134 26.463 1.00 31.00 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 5.410 1.927 27.390 1.00 31.03 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 7.587 1.663 26.368 1.00 30.88 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 3.928 -0.679 25.512 1.00 29.93 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 2.626 -1.334 25.416 1.00 29.52 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 2.121 -1.961 26.704 1.00 29.27 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 2.873 -2.581 27.459 1.00 29.27 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 2.652 -2.380 24.304 1.00 29.44 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 3.292 -1.719 22.767 1.00 29.49 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 0.825 -1.769 26.933 1.00 28.92 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 0.086 -2.466 27.971 1.00 28.68 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? -0.968 -3.263 27.218 1.00 28.53 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? -1.421 -2.835 26.154 1.00 28.42 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? -0.565 -1.472 28.914 1.00 28.63 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? -1.352 -4.420 27.743 1.00 28.36 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? -2.338 -5.248 27.054 1.00 28.20 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? -3.438 -5.713 27.992 1.00 27.74 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? -3.183 -6.046 29.150 1.00 27.84 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? -1.683 -6.461 26.354 1.00 28.29 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? -0.574 -6.015 25.566 1.00 28.83 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? -2.676 -7.176 25.440 1.00 28.50 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? -4.662 -5.722 27.475 1.00 27.08 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? -5.820 -6.205 28.209 1.00 26.42 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? -6.684 -7.044 27.272 1.00 26.03 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? -6.555 -6.947 26.049 1.00 25.87 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? -6.609 -5.036 28.770 1.00 26.43 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? -7.562 -7.863 27.845 1.00 25.58 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? -8.429 -8.736 27.054 1.00 25.22 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? -9.606 -8.011 26.400 1.00 24.77 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? -10.074 -8.423 25.337 1.00 24.80 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? -8.936 -9.904 27.901 1.00 25.28 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? -7.912 -10.863 28.100 1.00 25.95 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? -10.091 -6.950 27.039 1.00 24.11 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? -11.228 -6.197 26.513 1.00 23.47 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? -10.939 -4.703 26.525 1.00 22.98 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? -10.018 -4.244 27.207 1.00 22.76 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? -12.530 -6.456 27.314 1.00 23.55 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? -12.495 -5.726 28.546 1.00 23.57 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? -12.727 -7.949 27.604 1.00 23.64 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? -11.739 -3.953 25.772 1.00 22.42 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? -11.606 -2.504 25.701 1.00 22.21 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? -11.897 -1.860 27.057 1.00 22.30 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? -11.214 -0.915 27.455 1.00 21.98 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? -12.522 -1.919 24.613 1.00 22.08 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? -12.176 -2.490 23.345 1.00 22.01 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? -12.383 -0.413 24.533 1.00 22.07 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? -12.897 -2.389 27.763 1.00 22.63 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? -13.254 -1.904 29.097 1.00 23.12 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? -12.098 -2.037 30.082 1.00 22.98 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? -11.871 -1.146 30.904 1.00 23.01 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? -14.479 -2.648 29.636 1.00 23.50 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? -15.775 -2.207 28.977 1.00 24.77 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? -15.763 -1.243 28.181 1.00 26.30 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? -16.818 -2.830 29.261 1.00 26.49 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? -11.379 -3.154 29.998 1.00 22.80 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? -10.203 -3.373 30.827 1.00 22.91 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? -9.105 -2.373 30.499 1.00 22.58 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? -8.393 -1.915 31.392 1.00 22.47 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? -9.674 -4.793 30.655 1.00 23.17 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? -10.460 -5.813 31.448 1.00 24.20 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? -11.411 -5.440 32.170 1.00 25.17 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? -10.115 -7.005 31.349 1.00 25.72 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? -8.966 -2.048 29.216 1.00 22.32 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? -8.017 -1.026 28.791 1.00 22.15 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? -8.391 0.338 29.363 1.00 22.25 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? -7.511 1.094 29.777 1.00 22.41 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? -7.914 -0.959 27.268 1.00 21.99 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? -6.537 -1.898 26.568 1.00 21.51 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? -9.689 0.639 29.395 1.00 22.29 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? -10.182 1.882 29.995 1.00 22.49 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? -9.781 1.951 31.467 1.00 22.22 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? -9.339 2.997 31.946 1.00 22.28 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? -11.730 2.037 29.867 1.00 22.62 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? -12.193 1.955 28.405 1.00 23.24 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? -12.219 3.341 30.520 1.00 22.82 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? -11.393 2.800 27.423 1.00 24.34 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? -9.930 0.831 32.173 1.00 22.00 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? -9.570 0.749 33.589 1.00 21.81 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? -8.078 1.005 33.798 1.00 21.67 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? -7.690 1.711 34.732 1.00 21.65 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? -9.984 -0.614 34.211 1.00 21.82 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? -9.340 -0.822 35.579 1.00 21.79 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? -11.497 -0.705 34.330 1.00 21.76 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? -7.248 0.440 32.923 1.00 21.45 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? -5.806 0.646 33.003 1.00 21.15 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? -5.442 2.121 32.856 1.00 21.10 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? -4.578 2.624 33.580 1.00 21.17 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? -5.069 -0.204 31.964 1.00 21.03 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? -4.971 -1.709 32.234 1.00 20.80 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? -4.244 -2.414 31.098 1.00 20.14 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? -4.285 -1.998 33.568 1.00 20.51 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? -6.111 2.809 31.931 1.00 20.96 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? -5.888 4.241 31.726 1.00 20.87 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? -6.267 5.031 32.979 1.00 21.20 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? -5.522 5.912 33.410 1.00 21.29 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? -6.658 4.787 30.494 1.00 20.72 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? -6.505 6.305 30.378 1.00 20.31 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? -6.174 4.121 29.221 1.00 20.18 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? -7.416 4.699 33.563 1.00 21.68 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? -7.893 5.362 34.774 1.00 22.18 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? -6.933 5.197 35.946 1.00 22.40 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? -6.750 6.121 36.741 1.00 22.26 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? -9.281 4.848 35.161 1.00 22.31 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? -10.461 5.381 34.347 1.00 23.03 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? -11.728 4.608 34.682 1.00 23.66 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? -10.657 6.872 34.590 1.00 23.18 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? -6.322 4.020 36.045 1.00 22.61 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? -5.369 3.738 37.114 1.00 22.97 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? -4.021 4.398 36.850 1.00 23.11 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? -3.182 4.490 37.748 1.00 23.30 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? -5.191 2.230 37.298 1.00 22.91 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? -6.411 1.522 37.874 1.00 23.42 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? -6.078 0.111 38.348 1.00 24.21 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? -5.711 -0.808 37.184 1.00 24.80 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? -5.289 -2.156 37.684 1.00 25.74 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? -3.825 4.862 35.618 1.00 23.24 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? -2.578 5.497 35.214 1.00 23.28 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? -1.511 4.492 34.828 1.00 23.29 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? -0.328 4.831 34.763 1.00 23.47 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? -1.928 3.256 34.570 1.00 23.10 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? -1.000 2.201 34.165 1.00 22.83 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? -0.834 2.149 32.647 1.00 22.47 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 0.087 1.512 32.133 1.00 22.51 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? -1.437 0.856 34.745 1.00 22.92 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? -1.203 0.787 36.251 1.00 23.55 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? -1.939 -0.349 36.937 1.00 24.40 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? -2.261 -0.201 38.136 1.00 24.81 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? -2.196 -1.390 36.296 1.00 24.74 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? -1.734 2.833 31.946 1.00 21.92 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? -1.644 3.040 30.506 1.00 21.41 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? -2.067 4.482 30.252 1.00 21.18 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? -2.733 5.090 31.093 1.00 20.98 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? -2.557 2.071 29.767 1.00 21.39 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? -1.680 5.033 29.104 1.00 20.99 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? -1.979 6.434 28.796 1.00 20.89 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? -3.125 6.636 27.816 1.00 20.64 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? -3.939 7.546 27.995 1.00 20.64 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? -0.738 7.143 28.257 1.00 21.06 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 0.321 7.346 29.316 1.00 21.56 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 0.020 7.966 30.357 1.00 22.40 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 1.462 6.889 29.103 1.00 22.06 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? -3.180 5.809 26.776 1.00 20.11 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? -4.143 6.032 25.707 1.00 19.67 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? -4.461 4.799 24.878 1.00 19.40 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? -3.800 3.765 24.975 1.00 19.33 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? -3.666 7.169 24.796 1.00 19.55 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? -5.502 4.952 24.066 1.00 19.41 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? -5.926 3.978 23.077 1.00 19.70 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? -6.975 4.646 22.195 1.00 19.95 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? -7.577 5.654 22.578 1.00 20.10 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? -6.474 2.696 23.726 1.00 19.55 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? -7.876 2.622 24.338 1.00 19.56 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? -8.328 1.168 24.368 1.00 19.33 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? -7.932 3.233 25.732 1.00 19.30 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? -7.171 4.081 21.012 1.00 20.24 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? -8.133 4.578 20.045 1.00 20.53 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? -9.464 3.845 20.237 1.00 20.41 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? -9.495 2.614 20.265 1.00 20.50 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? -7.563 4.350 18.642 1.00 20.79 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? -8.416 4.946 17.546 1.00 21.54 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? -8.908 6.068 17.656 1.00 22.37 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? -8.578 4.200 16.463 1.00 22.51 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? -10.556 4.596 20.379 1.00 20.21 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? -11.860 4.003 20.708 1.00 20.05 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? -12.987 4.345 19.743 1.00 19.83 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? -13.075 5.467 19.245 1.00 19.54 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? -12.312 4.437 22.105 1.00 20.19 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? -11.550 4.032 23.362 1.00 20.48 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? -12.275 4.616 24.552 1.00 20.96 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? -11.480 2.529 23.480 1.00 20.70 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? -13.863 3.367 19.521 1.00 19.56 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? -15.115 3.590 18.815 1.00 19.57 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? -15.975 4.546 19.635 1.00 19.90 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? -15.838 4.612 20.861 1.00 19.88 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? -15.854 2.266 18.615 1.00 19.24 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? -17.287 2.466 18.173 1.00 18.82 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? -17.507 2.865 17.011 1.00 18.59 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? -18.195 2.248 18.996 1.00 19.19 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? -16.863 5.274 18.961 1.00 20.31 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? -17.753 6.231 19.619 1.00 20.86 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? -18.469 5.700 20.849 1.00 21.35 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? -18.580 6.403 21.855 1.00 21.35 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? -18.956 4.463 20.769 1.00 21.84 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? -19.652 3.833 21.889 1.00 22.42 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? -18.799 3.723 23.140 1.00 22.96 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? -19.286 3.937 24.253 1.00 23.05 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? -17.522 3.395 22.958 1.00 23.50 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? -16.594 3.277 24.077 1.00 24.22 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? -16.152 4.641 24.617 1.00 24.52 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? -15.804 4.759 25.795 1.00 24.75 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? -15.363 2.459 23.682 1.00 24.26 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? -15.598 0.995 23.339 1.00 24.89 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? -16.368 0.162 24.158 1.00 25.49 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? -14.991 0.429 22.217 1.00 25.40 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? -16.553 -1.193 23.842 1.00 25.95 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? -15.164 -0.918 21.898 1.00 25.63 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? -15.944 -1.722 22.710 1.00 26.03 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? -16.111 -3.052 22.381 1.00 26.55 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? -16.154 5.660 23.757 1.00 24.83 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? -15.815 7.027 24.169 1.00 25.11 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? -16.827 7.525 25.196 1.00 25.44 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? -16.482 8.263 26.121 1.00 25.41 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? -15.755 7.997 22.960 1.00 25.12 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? -14.558 7.661 22.066 1.00 24.68 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? -15.680 9.463 23.420 1.00 25.16 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? -14.568 8.365 20.717 1.00 24.72 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? -18.076 7.104 25.021 1.00 25.89 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? -19.149 7.441 25.941 1.00 26.55 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? -18.906 6.843 27.330 1.00 26.64 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? -19.110 7.517 28.342 1.00 26.74 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? -20.491 6.975 25.371 1.00 26.78 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? -21.663 7.236 26.284 1.00 27.98 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? -22.316 8.468 26.277 1.00 29.11 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? -22.115 6.253 27.163 1.00 28.93 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? -23.394 8.713 27.122 1.00 29.93 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? -23.189 6.488 28.013 1.00 30.00 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? -23.824 7.718 27.986 1.00 30.28 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? -24.890 7.952 28.825 1.00 31.16 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? -18.475 5.582 27.366 1.00 26.81 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? -18.130 4.898 28.617 1.00 26.99 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? -16.950 5.593 29.296 1.00 26.92 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? -17.010 5.925 30.483 1.00 26.93 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? -17.782 3.406 28.374 1.00 27.03 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? -18.913 2.735 27.805 1.00 27.46 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? -17.395 2.706 29.677 1.00 27.17 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? -15.888 5.807 28.522 1.00 26.90 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? -14.675 6.463 29.000 1.00 26.99 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? -14.956 7.890 29.456 1.00 27.15 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? -14.379 8.358 30.441 1.00 27.08 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? -13.611 6.455 27.908 1.00 26.84 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? -15.846 8.567 28.735 1.00 27.50 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? -16.224 9.941 29.043 1.00 28.09 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? -16.850 10.088 30.413 1.00 28.65 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? -16.510 11.007 31.161 1.00 28.56 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? -17.764 9.178 30.742 1.00 29.33 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? -18.409 9.170 32.052 1.00 30.22 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? -17.389 9.003 33.173 1.00 30.65 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? -17.618 9.440 34.301 1.00 30.67 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? -19.462 8.062 32.127 1.00 30.32 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? -20.727 8.345 31.330 1.00 31.15 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? -21.526 9.482 31.950 1.00 32.49 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? -22.863 9.656 31.259 1.00 33.20 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? -23.815 10.416 32.136 1.00 33.73 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? -16.261 8.377 32.849 1.00 31.34 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? -15.199 8.154 33.822 1.00 32.28 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? -14.100 9.221 33.762 1.00 31.02 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? -13.049 9.077 34.392 1.00 30.81 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? -14.617 6.747 33.659 1.00 33.48 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? -15.855 5.421 33.765 1.00 39.99 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? -14.348 10.291 33.008 1.00 30.00 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? -13.439 11.435 32.979 1.00 28.78 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? -12.376 11.455 31.895 1.00 27.95 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? -11.609 12.414 31.810 1.00 28.01 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? -12.315 10.414 31.068 1.00 27.10 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? -11.359 10.398 29.960 1.00 26.35 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? -11.807 11.372 28.874 1.00 25.98 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? -12.997 11.667 28.753 1.00 25.75 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? -11.186 8.984 29.395 1.00 26.34 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? -10.711 7.882 30.352 1.00 26.13 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? -10.221 6.680 29.569 1.00 26.15 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? -9.630 8.371 31.306 1.00 25.65 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? -10.855 11.880 28.096 1.00 25.63 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? -11.156 12.898 27.087 1.00 25.46 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? -10.609 12.550 25.703 1.00 25.32 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? -9.565 11.904 25.594 1.00 25.22 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? -10.642 14.310 27.503 1.00 25.49 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? -11.354 14.802 28.762 1.00 25.48 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? -9.124 14.320 27.692 1.00 25.36 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? -11.316 12.986 24.641 1.00 25.23 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? -10.854 12.804 23.268 1.00 25.14 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? -9.656 13.707 22.978 1.00 25.06 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? -9.650 14.877 23.368 1.00 24.92 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? -12.070 13.221 22.433 1.00 25.22 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? -12.798 14.191 23.298 1.00 25.28 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? -12.627 13.660 24.690 1.00 25.31 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? -8.651 13.158 22.303 1.00 25.08 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? -7.389 13.860 22.082 1.00 25.27 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? -7.007 14.110 20.621 1.00 25.44 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? -6.461 15.165 20.286 1.00 25.56 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? -6.201 13.058 22.676 1.00 25.22 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? -4.873 13.720 22.353 1.00 25.38 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? -6.362 12.902 24.184 1.00 25.34 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? -7.289 13.129 19.766 1.00 25.53 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? -7.145 13.246 18.317 1.00 25.67 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? -8.127 12.270 17.686 1.00 26.00 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? -8.456 11.247 18.288 1.00 25.86 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? -5.715 12.895 17.881 1.00 25.52 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? -4.541 13.791 18.297 1.00 25.37 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? -3.218 13.128 17.944 1.00 25.09 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? -4.628 15.173 17.661 1.00 24.77 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? -8.598 12.580 16.483 1.00 26.52 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? -9.581 11.728 15.819 1.00 27.31 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? -9.042 11.114 14.534 1.00 28.05 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? -8.267 11.749 13.818 1.00 27.97 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? -10.857 12.504 15.540 1.00 27.20 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? -9.448 9.876 14.254 1.00 29.35 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? -9.158 9.254 12.965 1.00 30.80 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? -9.764 10.126 11.876 1.00 32.63 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? -10.906 10.579 11.996 1.00 32.49 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? -9.770 7.854 12.868 1.00 30.33 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? -9.092 6.770 13.697 1.00 29.22 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? -9.597 5.378 13.338 1.00 27.93 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? -10.585 5.270 12.578 1.00 27.41 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? -9.005 4.387 13.812 1.00 27.20 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? -8.994 10.371 10.826 1.00 35.38 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? -9.476 11.140 9.694 1.00 38.49 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? -9.199 10.332 8.439 1.00 40.99 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? -8.077 9.865 8.232 1.00 41.10 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? -8.767 12.496 9.636 1.00 38.19 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? -9.708 13.647 9.305 1.00 38.32 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? -10.923 13.472 9.197 1.00 38.33 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? -9.142 14.839 9.152 1.00 38.17 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? -10.222 10.146 7.614 1.00 44.50 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? -10.078 9.362 6.391 1.00 48.09 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? -10.099 10.271 5.159 1.00 50.29 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? -10.142 11.500 5.287 1.00 50.53 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? -11.179 8.301 6.315 1.00 48.13 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? -12.543 8.879 6.010 1.00 49.46 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? -13.675 8.023 6.519 1.00 51.47 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? -14.938 8.703 6.259 1.00 52.99 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? -15.618 9.417 7.152 1.00 53.85 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? -15.186 9.547 8.403 1.00 54.13 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? -16.749 10.001 6.782 1.00 54.19 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? -10.063 9.657 3.977 1.00 53.26 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? -10.127 10.375 2.703 1.00 56.12 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? -11.382 11.234 2.619 1.00 58.03 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? -12.498 10.740 2.801 1.00 58.24 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? -10.110 9.388 1.529 1.00 56.06 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? -9.045 8.303 1.609 1.00 56.56 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? -7.687 8.808 1.137 1.00 57.10 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? -6.586 7.832 1.522 1.00 57.37 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? -6.350 7.793 3.004 1.00 57.55 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? -11.191 12.521 2.351 1.00 60.49 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? -12.303 13.448 2.206 1.00 62.84 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? -12.662 13.631 0.734 1.00 64.41 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? -12.161 12.915 -0.140 1.00 64.63 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? -11.953 14.796 2.844 1.00 62.77 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? -13.030 15.720 2.738 1.00 62.94 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? -13.550 14.589 0.483 1.00 66.30 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? -13.897 15.014 -0.860 1.00 68.02 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? -13.774 16.531 -0.888 1.00 69.09 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? -13.094 17.088 -1.753 1.00 69.26 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? -15.315 14.567 -1.228 1.00 68.01 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? -15.321 13.183 -1.592 1.00 68.15 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? -14.387 17.193 0.088 1.00 70.30 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? -14.242 18.636 0.247 1.00 71.32 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? -13.039 18.958 1.133 1.00 71.71 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? -12.213 18.088 1.408 1.00 71.84 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? -15.514 19.242 0.842 1.00 71.43 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? -16.491 18.217 1.395 1.00 71.91 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? -17.843 18.846 1.690 1.00 72.52 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? -18.598 18.059 2.749 1.00 72.81 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? -18.768 18.839 4.005 1.00 72.96 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? -12.945 20.208 1.578 1.00 71.98 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? -11.840 20.641 2.446 1.00 72.05 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? -10.470 20.243 1.879 1.00 71.58 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? -9.472 20.243 2.606 1.00 71.63 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? -12.037 19.928 3.818 1.00 72.34 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? -13.178 20.442 4.638 1.00 73.09 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? -14.241 19.647 5.007 1.00 73.64 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? -13.392 21.648 5.214 1.00 73.64 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? -15.075 20.348 5.753 1.00 73.89 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? -14.583 21.566 5.894 1.00 73.91 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? -10.425 19.908 0.590 1.00 70.74 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? -9.233 19.303 -0.031 1.00 69.71 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? -7.956 20.156 -0.023 1.00 68.69 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? -6.861 19.625 -0.224 1.00 68.69 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? -9.550 18.831 -1.456 1.00 69.86 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? -10.192 19.853 -2.205 1.00 69.92 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? -8.090 21.461 0.204 1.00 67.14 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? -6.921 22.340 0.303 1.00 65.45 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? -6.249 22.177 1.664 1.00 64.02 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? -5.022 22.053 1.758 1.00 63.95 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? -7.322 23.805 0.099 1.00 65.62 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? -8.308 23.938 -0.915 1.00 65.59 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? -7.079 22.177 2.706 1.00 61.96 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? -6.641 22.094 4.094 1.00 59.81 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? -5.962 20.757 4.394 1.00 58.00 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? -6.389 19.710 3.899 1.00 57.87 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? -7.849 22.285 5.015 1.00 60.03 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? -7.718 23.200 6.235 1.00 60.13 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? -7.704 24.672 5.825 1.00 60.25 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? -8.859 22.935 7.205 1.00 60.26 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? -4.906 20.808 5.205 1.00 55.52 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? -4.127 19.623 5.573 1.00 53.02 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? -4.953 18.619 6.379 1.00 51.02 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? -5.881 19.007 7.093 1.00 50.80 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? -2.887 20.033 6.371 1.00 53.25 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? -1.819 18.955 6.386 1.00 53.49 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? -1.212 18.701 5.322 1.00 53.78 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? -1.581 18.366 7.462 1.00 53.74 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? -4.605 17.337 6.262 1.00 48.53 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? -5.329 16.258 6.945 1.00 46.11 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? -5.454 16.473 8.451 1.00 45.61 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? -6.545 16.335 9.009 1.00 45.35 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? -4.684 14.895 6.671 1.00 45.50 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? -5.605 13.486 7.368 1.00 42.14 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? -4.339 16.809 9.099 1.00 45.05 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? -4.313 16.983 10.553 1.00 44.74 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? -5.200 18.151 11.014 1.00 44.67 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? -5.653 18.178 12.161 1.00 44.55 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? -2.864 17.149 11.090 1.00 44.72 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? -2.820 16.968 12.604 1.00 44.70 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? -1.924 16.149 10.428 1.00 44.74 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? -5.459 19.098 10.113 1.00 44.70 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? -6.290 20.266 10.428 1.00 44.80 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? -7.726 20.136 9.925 1.00 44.81 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? -8.623 20.839 10.397 1.00 44.85 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? -5.664 21.544 9.860 1.00 44.84 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? -4.410 22.109 10.533 1.00 44.93 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? -3.806 23.217 9.682 1.00 45.04 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? -4.702 22.616 11.944 1.00 44.98 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? -7.927 19.241 8.963 1.00 44.79 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? -9.231 19.009 8.353 1.00 44.73 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? -10.250 18.476 9.369 1.00 44.24 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? -9.902 17.653 10.220 1.00 44.28 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? -9.070 18.043 7.177 1.00 44.95 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? -10.324 17.808 6.354 1.00 45.91 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? -9.992 17.463 4.905 1.00 47.55 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? -8.922 16.476 4.772 1.00 48.79 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? -9.022 15.196 5.121 1.00 49.51 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? -10.141 14.716 5.652 1.00 49.78 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? -7.986 14.388 4.950 1.00 49.82 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? -11.508 18.955 9.290 1.00 43.74 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? -12.561 18.484 10.190 1.00 43.20 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? -12.950 17.053 9.843 1.00 42.62 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? -12.789 16.636 8.696 1.00 42.53 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? -13.732 19.429 9.891 1.00 43.28 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? -13.145 20.544 9.084 1.00 43.47 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? -12.020 19.955 8.339 1.00 43.71 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? -13.453 16.309 10.824 1.00 41.90 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? -13.870 14.927 10.592 1.00 41.15 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? -15.291 14.887 10.040 1.00 40.64 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? -16.121 15.722 10.397 1.00 40.57 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? -13.798 14.086 11.878 1.00 41.18 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? -14.702 14.615 12.855 1.00 41.01 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? -12.383 14.075 12.444 1.00 41.09 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? -15.570 13.908 9.183 1.00 39.89 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? -16.878 13.810 8.528 1.00 39.06 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? -17.792 12.732 9.098 1.00 37.80 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? -18.989 12.716 8.800 1.00 37.92 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? -16.702 13.588 7.027 1.00 39.38 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? -16.186 14.804 6.289 1.00 40.49 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? -15.814 14.501 4.855 1.00 41.81 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? -14.766 15.003 4.406 1.00 42.20 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? -16.561 13.763 4.175 1.00 42.23 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? -17.227 11.831 9.899 1.00 36.05 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? -17.981 10.727 10.489 1.00 33.59 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? -18.380 9.674 9.473 1.00 31.72 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? -18.557 9.973 8.290 1.00 31.82 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? -18.538 8.437 9.926 1.00 29.62 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? -18.847 7.348 9.007 1.00 27.38 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? -20.321 6.961 9.004 1.00 26.63 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? -21.068 7.302 9.924 1.00 26.39 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? -17.949 6.136 9.269 1.00 26.91 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? -17.944 5.636 10.695 1.00 24.92 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? -17.076 6.179 11.643 1.00 23.19 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? -18.786 4.599 11.090 1.00 23.40 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? -17.062 5.712 12.951 1.00 22.22 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? -18.775 4.121 12.391 1.00 22.23 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? -17.915 4.685 13.315 1.00 21.50 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? -17.909 4.212 14.601 1.00 21.02 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? -20.729 6.247 7.960 1.00 25.72 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? -22.117 5.831 7.809 1.00 24.97 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? -22.349 4.426 8.347 1.00 24.51 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? -21.753 3.463 7.868 1.00 24.39 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? -22.551 5.914 6.342 1.00 25.03 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? -22.474 7.275 5.641 1.00 25.08 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? -23.070 7.176 4.247 1.00 25.20 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? -23.179 8.365 6.439 1.00 25.39 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? -23.216 4.325 9.349 1.00 23.90 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? -23.628 3.037 9.886 1.00 23.63 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? -24.671 2.437 8.955 1.00 23.40 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? -25.666 3.089 8.630 1.00 23.40 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? -24.198 3.207 11.286 1.00 23.55 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? -24.439 1.205 8.511 1.00 23.16 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? -25.366 0.545 7.592 1.00 22.97 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? -25.700 -0.879 8.027 1.00 23.10 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? -25.005 -1.469 8.859 1.00 23.04 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? -24.841 0.536 6.125 1.00 22.96 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? -24.754 1.959 5.561 1.00 22.81 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? -23.490 -0.182 6.022 1.00 22.65 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? -26.780 -1.411 7.463 1.00 23.18 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? -27.167 -2.800 7.655 1.00 23.29 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? -27.058 -3.481 6.299 1.00 23.52 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? -27.658 -3.028 5.322 1.00 23.50 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? -28.586 -2.888 8.191 1.00 23.34 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? -26.278 -4.557 6.243 1.00 23.78 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? -25.948 -5.216 4.979 1.00 24.12 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? -26.499 -6.642 4.926 1.00 24.53 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? -26.398 -7.392 5.897 1.00 24.55 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? -24.415 -5.240 4.742 1.00 24.08 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? -24.089 -5.640 3.304 1.00 23.82 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? -23.797 -3.882 5.060 1.00 24.24 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? -27.087 -7.002 3.786 1.00 25.07 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? -27.612 -8.351 3.558 1.00 25.61 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? -27.140 -8.880 2.205 1.00 26.31 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? -26.606 -8.124 1.391 1.00 26.31 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? -29.166 -8.395 3.611 1.00 25.51 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? -29.680 -7.895 4.952 1.00 25.35 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? -29.786 -7.597 2.456 1.00 25.09 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? -27.337 -10.175 1.971 1.00 27.25 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? -27.049 -10.773 0.670 1.00 28.30 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? -28.170 -10.442 -0.303 1.00 28.89 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? -29.342 -10.456 0.076 1.00 28.77 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? -26.901 -12.293 0.788 1.00 28.36 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? -25.634 -12.764 1.493 1.00 28.77 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? -24.407 -12.623 0.598 1.00 29.07 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? -23.173 -13.236 1.241 1.00 29.25 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? -23.255 -14.724 1.322 1.00 29.22 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? -27.813 -10.133 -1.549 1.00 29.89 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? -28.814 -9.889 -2.590 1.00 30.99 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? -29.679 -11.132 -2.794 1.00 31.43 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? -30.902 -11.033 -2.926 1.00 31.53 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? -28.149 -9.480 -3.908 1.00 31.14 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? -29.135 -9.147 -5.033 1.00 32.17 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? -28.425 -8.686 -6.303 1.00 33.61 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? -28.001 -9.850 -7.189 1.00 34.47 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? -27.236 -9.374 -8.382 1.00 35.13 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? -29.031 -12.296 -2.799 1.00 32.00 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? -29.708 -13.586 -2.944 1.00 32.56 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? -30.774 -13.804 -1.870 1.00 32.99 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -31.690 -14.609 -2.048 1.00 33.01 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? -28.692 -14.718 -2.921 1.00 32.51 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? -30.642 -13.078 -0.762 1.00 33.60 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -31.596 -13.124 0.338 1.00 34.20 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -32.743 -12.148 0.077 1.00 34.47 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -32.876 -11.125 0.755 1.00 34.41 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? -30.883 -12.785 1.650 1.00 34.36 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -31.459 -13.520 2.842 1.00 34.86 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -32.676 -13.630 3.001 1.00 35.43 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? -30.577 -14.019 3.701 1.00 35.36 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -33.562 -12.477 -0.919 1.00 34.87 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -34.664 -11.619 -1.356 1.00 35.33 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -35.785 -11.524 -0.328 1.00 35.65 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -36.027 -12.464 0.432 1.00 35.79 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -35.226 -12.124 -2.684 1.00 35.28 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -34.217 -12.111 -3.817 1.00 35.47 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -34.627 -12.992 -4.977 1.00 35.75 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -35.834 -13.045 -5.302 1.00 35.84 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -33.737 -13.630 -5.576 1.00 35.78 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -36.463 -10.381 -0.310 1.00 35.95 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -37.588 -10.168 0.595 1.00 36.31 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -37.202 -9.887 2.036 1.00 36.47 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -38.078 -9.720 2.891 1.00 36.61 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -35.901 -9.847 2.316 1.00 36.43 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -35.435 -9.436 3.632 1.00 36.26 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -35.313 -7.921 3.648 1.00 36.04 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -34.525 -7.347 2.896 1.00 36.04 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -34.096 -10.094 3.977 1.00 36.34 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -33.437 -9.720 5.313 1.00 36.47 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -34.370 -9.959 6.499 1.00 36.66 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -32.147 -10.499 5.492 1.00 36.61 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -36.116 -7.280 4.488 1.00 35.80 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -36.082 -5.831 4.618 1.00 35.61 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -35.887 -5.471 6.079 1.00 35.77 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -35.757 -6.354 6.933 1.00 35.68 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -37.381 -5.166 4.103 1.00 35.49 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -38.473 -5.500 4.969 1.00 35.31 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -37.704 -5.608 2.677 1.00 35.41 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -35.871 -4.173 6.362 1.00 36.10 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -35.789 -3.691 7.730 1.00 36.51 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -36.972 -4.188 8.566 1.00 36.66 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -36.816 -4.498 9.750 1.00 36.69 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -35.722 -2.162 7.768 1.00 36.57 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -35.625 -1.663 9.163 1.00 37.12 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -36.641 -1.171 9.931 1.00 37.48 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -34.457 -1.661 9.989 1.00 37.41 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -36.173 -0.842 11.180 1.00 37.47 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -34.836 -1.133 11.244 1.00 37.59 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -33.123 -2.041 9.788 1.00 37.39 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -33.928 -0.975 12.298 1.00 37.66 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -32.220 -1.887 10.837 1.00 37.66 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -32.629 -1.357 12.075 1.00 37.63 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -38.143 -4.272 7.936 1.00 36.85 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -39.382 -4.673 8.611 1.00 37.00 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -39.533 -6.178 8.819 1.00 36.93 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -40.488 -6.622 9.464 1.00 37.01 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -40.606 -4.166 7.841 1.00 37.12 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -40.477 -2.722 7.418 1.00 37.37 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -40.301 -1.827 8.246 1.00 37.75 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -40.573 -2.483 6.115 1.00 37.72 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -38.614 -6.961 8.264 1.00 36.80 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -38.674 -8.412 8.413 1.00 36.64 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -37.392 -8.957 9.034 1.00 36.48 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -36.952 -10.065 8.716 1.00 36.51 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -38.970 -9.083 7.067 1.00 36.65 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -37.962 -8.795 6.114 1.00 36.73 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -36.803 -8.167 9.929 1.00 36.19 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -35.570 -8.551 10.604 1.00 35.88 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -35.808 -9.462 11.800 1.00 35.66 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -34.909 -10.206 12.198 1.00 35.57 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -34.774 -7.316 11.037 1.00 35.84 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -33.917 -6.621 9.977 1.00 35.84 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -33.161 -5.470 10.611 1.00 35.79 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -32.940 -7.587 9.307 1.00 35.66 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -37.007 -9.401 12.377 1.00 35.38 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -37.324 -10.221 13.543 1.00 35.13 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -37.124 -11.711 13.264 1.00 34.49 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -37.519 -12.213 12.209 1.00 34.43 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -38.741 -9.945 14.052 1.00 35.41 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -39.108 -10.781 15.267 1.00 36.32 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -40.126 -10.105 16.159 1.00 37.95 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -40.325 -10.906 17.441 1.00 38.80 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -39.033 -11.156 18.174 1.00 39.29 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -36.493 -12.393 14.221 1.00 33.64 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -36.204 -13.833 14.151 1.00 32.74 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -35.118 -14.212 13.149 1.00 31.70 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -34.860 -15.399 12.935 1.00 31.67 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -37.472 -14.652 13.864 1.00 33.04 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -38.439 -14.667 15.026 1.00 33.65 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -38.007 -14.488 16.185 1.00 34.42 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -39.645 -14.868 14.779 1.00 34.58 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -34.489 -13.220 12.528 1.00 30.35 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -33.397 -13.498 11.602 1.00 29.03 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -32.080 -13.589 12.373 1.00 28.08 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -32.059 -13.414 13.592 1.00 27.82 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -33.337 -12.444 10.489 1.00 29.13 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -34.607 -12.343 9.630 1.00 29.49 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -34.971 -13.672 8.965 1.00 30.23 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -36.186 -13.539 8.051 1.00 30.70 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -37.449 -13.244 8.794 1.00 31.17 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? -30.991 -13.879 11.668 1.00 27.01 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? -29.681 -14.022 12.300 1.00 26.13 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? -28.818 -12.779 12.080 1.00 25.20 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? -28.658 -12.327 10.947 1.00 25.08 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? -28.973 -15.282 11.792 1.00 26.31 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? -29.611 -16.588 12.274 1.00 27.16 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? -28.906 -17.815 11.708 1.00 28.62 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? -29.340 -18.107 10.278 1.00 29.40 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? -28.417 -19.067 9.607 1.00 30.10 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? -28.265 -12.233 13.163 1.00 24.12 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? -27.526 -10.964 13.090 1.00 23.13 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? -26.035 -11.053 13.424 1.00 22.55 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? -25.615 -11.855 14.263 1.00 22.56 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? -28.197 -9.901 13.964 1.00 23.04 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? -28.231 -10.303 15.322 1.00 22.85 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? -25.251 -10.210 12.752 1.00 21.67 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? -23.811 -10.096 12.976 1.00 20.94 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? -23.481 -8.677 13.436 1.00 20.35 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? -23.740 -7.708 12.718 1.00 20.35 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? -23.028 -10.406 11.692 1.00 20.97 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? -23.436 -11.963 10.857 1.00 21.33 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? -22.907 -8.564 14.630 1.00 19.69 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? -22.570 -7.270 15.227 1.00 19.13 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? -21.063 -7.155 15.433 1.00 18.92 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? -20.384 -8.165 15.638 1.00 18.85 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? -23.292 -7.109 16.566 1.00 19.06 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? -24.776 -7.294 16.482 1.00 19.05 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? -25.660 -6.236 16.465 1.00 19.07 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? -25.532 -8.415 16.407 1.00 19.02 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? -26.895 -6.697 16.386 1.00 18.87 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? -26.845 -8.016 16.349 1.00 18.71 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? -20.540 -5.931 15.378 1.00 18.66 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? -19.109 -5.707 15.589 1.00 18.55 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? -18.719 -6.114 17.009 1.00 18.61 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? -17.726 -6.814 17.215 1.00 18.33 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? -18.704 -4.237 15.329 1.00 18.52 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? -19.483 -3.366 16.158 1.00 18.53 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? -18.922 -3.868 13.866 1.00 18.71 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? -19.528 -5.675 17.970 1.00 19.06 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? -19.361 -5.985 19.388 1.00 19.59 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? -20.381 -5.173 20.161 1.00 19.99 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? -20.806 -4.106 19.705 1.00 20.21 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? -17.954 -5.649 19.870 1.00 19.49 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? -20.780 -5.683 21.323 1.00 20.35 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? -21.666 -4.955 22.225 1.00 20.64 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? -21.047 -3.590 22.537 1.00 20.74 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? -19.823 -3.477 22.668 1.00 20.66 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? -21.928 -5.766 23.526 1.00 20.66 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? -22.595 -4.908 24.602 1.00 21.20 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? -22.794 -6.983 23.224 1.00 20.82 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? -21.892 -2.560 22.612 1.00 20.88 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? -21.476 -1.199 22.991 1.00 21.04 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? -20.813 -0.363 21.896 1.00 20.58 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? -20.422 0.777 22.148 1.00 20.49 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? -20.567 -1.217 24.229 1.00 21.45 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? -21.335 -1.386 25.520 1.00 22.64 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? -22.582 -1.471 25.482 1.00 23.97 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? -20.683 -1.428 26.585 1.00 23.96 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? -20.680 -0.909 20.694 1.00 20.12 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? -20.069 -0.153 19.604 1.00 19.67 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? -21.136 0.566 18.773 1.00 19.36 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? -22.300 0.160 18.774 1.00 19.14 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? -19.159 -1.053 18.765 1.00 19.74 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? -17.939 -1.532 19.553 1.00 19.97 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? -16.990 -2.391 18.742 1.00 20.83 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? -16.524 -1.724 17.529 1.00 21.58 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? -15.434 -2.070 16.850 1.00 22.37 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? -14.670 -3.074 17.265 1.00 22.74 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? -15.102 -1.403 15.751 1.00 22.78 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? -20.743 1.633 18.080 1.00 19.08 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? -21.700 2.509 17.385 1.00 18.86 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? -22.516 1.845 16.261 1.00 18.93 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? -23.740 1.728 16.371 1.00 18.73 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? -21.016 3.786 16.856 1.00 18.84 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? -20.366 4.462 17.940 1.00 18.76 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? -22.042 4.724 16.240 1.00 18.57 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? -21.849 1.437 15.185 1.00 19.04 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? -22.538 0.848 14.037 1.00 19.37 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? -23.003 -0.576 14.324 1.00 19.64 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? -24.055 -1.000 13.847 1.00 19.71 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? -21.648 0.882 12.800 1.00 19.25 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? -22.221 -1.305 15.113 1.00 19.92 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? -22.519 -2.704 15.386 1.00 20.22 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? -23.586 -2.947 16.437 1.00 20.46 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? -24.155 -4.036 16.494 1.00 20.42 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? -23.875 -1.947 17.265 1.00 20.71 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? -24.778 -2.175 18.392 1.00 21.01 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? -25.675 -0.980 18.710 1.00 21.14 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? -26.892 -1.057 18.547 1.00 21.34 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? -23.977 -2.641 19.611 1.00 21.09 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? -24.835 -3.028 20.760 1.00 21.32 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? -25.216 -2.233 21.802 1.00 21.66 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? -25.436 -4.306 20.986 1.00 21.99 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? -26.017 -2.938 22.666 1.00 21.74 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? -26.168 -4.214 22.190 1.00 22.09 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? -25.428 -5.523 20.288 1.00 22.32 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? -26.883 -5.295 22.718 1.00 22.55 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? -26.140 -6.598 20.813 1.00 22.70 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? -26.858 -6.474 22.017 1.00 22.79 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? -25.073 0.109 19.182 1.00 21.31 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? -25.815 1.264 19.690 1.00 21.62 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? -26.884 1.802 18.737 1.00 22.03 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? -28.030 2.006 19.142 1.00 21.95 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? -24.853 2.382 20.106 1.00 21.50 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? -24.093 2.058 21.385 1.00 21.56 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? -24.474 1.164 22.143 1.00 21.29 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? -23.013 2.794 21.631 1.00 21.19 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? -26.508 2.018 17.480 1.00 22.74 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? -27.436 2.533 16.471 1.00 23.63 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? -28.539 1.511 16.151 1.00 24.36 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? -29.719 1.816 16.333 1.00 24.36 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? -26.694 3.028 15.184 1.00 23.51 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? -26.191 4.469 15.331 1.00 23.90 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? -27.615 3.007 13.972 1.00 23.53 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? -25.768 4.895 16.720 1.00 24.36 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? -28.163 0.290 15.704 1.00 25.21 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? -29.199 -0.669 15.310 1.00 25.86 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? -30.112 -1.123 16.455 1.00 26.56 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? -31.327 -1.199 16.264 1.00 26.67 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? -28.394 -1.849 14.750 1.00 25.78 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? -27.062 -1.745 15.399 1.00 25.59 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? -26.811 -0.272 15.511 1.00 25.30 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? -29.542 -1.412 17.624 1.00 27.34 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? -30.340 -1.853 18.771 1.00 28.15 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? -31.181 -0.729 19.366 1.00 28.63 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -32.262 -0.979 19.899 1.00 28.64 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? -29.468 -2.493 19.857 1.00 28.22 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? -28.719 -3.745 19.413 1.00 28.76 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? -29.713 -4.901 18.440 1.00 30.24 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? -30.875 -5.498 19.662 1.00 29.81 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? -30.675 0.500 19.279 1.00 29.26 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? -31.421 1.678 19.715 1.00 30.18 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -32.665 1.875 18.871 1.00 30.91 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -33.747 2.143 19.398 1.00 30.91 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -32.504 1.732 17.557 1.00 31.75 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -33.619 1.805 16.615 1.00 32.72 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -34.629 0.684 16.856 1.00 33.66 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -35.839 0.922 16.846 1.00 33.77 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -33.114 1.753 15.167 1.00 32.45 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -32.298 2.930 14.618 1.00 32.11 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -31.618 2.542 13.312 1.00 31.40 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -33.154 4.179 14.426 1.00 31.84 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -34.123 -0.528 17.078 1.00 34.87 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -34.971 -1.700 17.311 1.00 36.08 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -35.765 -1.591 18.616 1.00 37.03 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -36.971 -1.848 18.628 1.00 37.13 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -34.156 -3.022 17.262 1.00 36.01 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -33.769 -3.348 15.815 1.00 36.00 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -34.947 -4.185 17.870 1.00 36.00 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -32.666 -4.387 15.673 1.00 35.84 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -35.093 -1.203 19.701 1.00 38.23 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -35.756 -1.017 21.001 1.00 39.41 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -36.891 -0.004 20.881 1.00 40.37 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -37.995 -0.228 21.383 1.00 40.45 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -34.757 -0.575 22.106 1.00 39.34 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -35.488 -0.011 23.326 1.00 39.26 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -33.874 -1.742 22.523 1.00 39.31 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -36.607 1.085 20.185 1.00 41.58 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -37.540 2.157 19.934 1.00 42.77 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -38.762 1.673 19.163 1.00 43.59 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -39.872 1.886 19.584 1.00 43.67 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -36.852 3.323 19.189 1.00 42.73 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -36.216 4.342 20.119 1.00 42.74 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -36.064 4.102 21.271 1.00 42.41 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -35.839 5.470 19.588 1.00 42.73 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -38.523 0.989 18.054 1.00 44.56 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -39.564 0.503 17.166 1.00 45.51 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -40.445 -0.552 17.815 1.00 46.04 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -41.654 -0.571 17.585 1.00 46.14 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -38.957 -0.034 15.872 1.00 45.51 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -38.780 1.031 14.802 1.00 45.86 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -37.738 0.653 13.769 1.00 46.20 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -37.607 -0.512 13.393 1.00 46.39 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -36.989 1.645 13.301 1.00 46.32 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -39.848 -1.422 18.624 1.00 46.75 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -40.610 -2.493 19.267 1.00 47.42 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -41.179 -2.083 20.627 1.00 47.91 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -42.006 -2.801 21.197 1.00 47.99 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -39.778 -3.791 19.433 1.00 47.38 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -38.740 -3.582 20.403 1.00 47.43 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -39.170 -4.231 18.099 1.00 47.32 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -40.739 -0.934 21.138 1.00 48.45 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -41.159 -0.456 22.457 1.00 49.10 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -40.847 -1.453 23.558 1.00 49.52 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -41.569 -1.536 24.553 1.00 49.64 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -39.766 -2.208 23.373 1.00 49.84 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -39.367 -3.245 24.317 1.00 50.06 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -37.860 -3.249 24.559 1.00 50.12 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -37.068 -3.055 23.635 1.00 50.16 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -39.823 -4.620 23.820 1.00 50.10 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -39.382 -5.653 24.689 1.00 50.14 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -37.484 -3.479 25.815 1.00 50.12 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -36.082 -3.569 26.217 1.00 50.10 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -35.499 -4.955 25.965 1.00 49.93 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -34.302 -5.181 26.163 1.00 49.91 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -35.927 -3.205 27.696 1.00 50.24 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -35.870 -1.429 28.019 1.00 50.73 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -36.350 -5.878 25.527 1.00 49.72 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -35.940 -7.248 25.251 1.00 49.51 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -35.335 -7.244 23.846 1.00 49.31 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -35.874 -7.864 22.923 1.00 49.32 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -37.145 -8.182 25.329 1.00 49.56 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -34.211 -6.547 23.693 1.00 48.98 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -33.432 -6.571 22.456 1.00 48.59 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -32.690 -7.899 22.289 1.00 48.33 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -32.213 -8.229 21.200 1.00 48.34 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -32.454 -5.391 22.409 1.00 48.56 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? -31.515 -5.317 23.587 1.00 48.42 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -31.632 -4.286 24.514 1.00 48.27 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? -30.505 -6.263 23.762 1.00 48.17 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? -30.767 -4.204 25.602 1.00 48.23 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? -29.641 -6.192 24.849 1.00 48.14 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? -29.770 -5.159 25.770 1.00 48.16 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -32.610 -8.651 23.383 1.00 47.90 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -31.943 -9.947 23.423 1.00 47.41 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -32.814 -11.068 22.859 1.00 46.73 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -32.387 -12.223 22.807 1.00 46.75 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -31.553 -10.281 24.866 1.00 47.64 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -32.742 -10.260 25.815 1.00 48.05 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -33.340 -9.179 26.006 1.00 48.41 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -33.072 -11.325 26.377 1.00 48.53 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -34.031 -10.728 22.445 1.00 45.67 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -34.980 -11.725 21.960 1.00 44.53 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -35.508 -11.366 20.573 1.00 43.16 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -36.425 -12.014 20.063 1.00 43.12 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -36.142 -11.884 22.947 1.00 44.87 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -35.798 -11.499 24.383 1.00 45.93 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -36.667 -12.187 25.410 1.00 47.22 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -36.613 -13.432 25.501 1.00 47.64 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -37.396 -11.484 26.141 1.00 47.65 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -34.921 -10.337 19.968 1.00 41.27 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -35.350 -9.877 18.652 1.00 39.32 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -34.865 -10.807 17.543 1.00 38.04 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -35.662 -11.283 16.731 1.00 37.82 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -34.882 -8.444 18.394 1.00 39.31 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -35.508 -7.818 17.183 1.00 39.02 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -36.845 -7.429 17.201 1.00 38.64 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -34.768 -7.622 16.022 1.00 38.75 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -37.437 -6.853 16.083 1.00 38.45 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -35.350 -7.044 14.897 1.00 38.74 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -36.689 -6.659 14.929 1.00 38.55 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -33.559 -11.052 17.512 1.00 36.42 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -32.967 -11.963 16.542 1.00 34.93 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -32.958 -13.372 17.118 1.00 34.15 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -32.780 -13.543 18.326 1.00 34.00 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -31.545 -11.518 16.193 1.00 34.78 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? -31.476 -10.171 15.522 1.00 34.12 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -31.923 -10.007 14.213 1.00 33.69 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? -30.962 -9.067 16.196 1.00 33.69 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -31.863 -8.765 13.585 1.00 33.41 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? -30.893 -7.821 15.577 1.00 33.45 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? -31.346 -7.670 14.268 1.00 33.46 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -33.162 -14.375 16.268 1.00 33.20 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -33.123 -15.764 16.723 1.00 32.37 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -31.746 -16.098 17.294 1.00 31.80 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -31.637 -16.605 18.410 1.00 31.75 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -33.500 -16.730 15.597 1.00 32.29 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -32.674 -16.544 14.462 1.00 32.34 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? -30.703 -15.794 16.522 1.00 31.06 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? -29.315 -16.001 16.935 1.00 30.31 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? -28.447 -14.850 16.438 1.00 29.28 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? -28.778 -14.202 15.443 1.00 29.24 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? -28.771 -17.316 16.376 1.00 30.64 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? -29.376 -18.575 16.976 1.00 31.80 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? -28.837 -19.835 16.330 1.00 33.26 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? -28.817 -19.963 15.104 1.00 33.93 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? -28.399 -20.779 17.154 1.00 33.82 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? -27.336 -14.603 17.128 1.00 27.94 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? -26.422 -13.524 16.763 1.00 26.58 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? -24.985 -13.830 17.153 1.00 25.61 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? -24.715 -14.775 17.899 1.00 25.38 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? -26.834 -12.209 17.440 1.00 26.66 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? -28.223 -11.953 17.290 1.00 26.87 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? -24.068 -13.027 16.619 1.00 24.42 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? -22.724 -12.945 17.158 1.00 23.33 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? -22.529 -11.492 17.533 1.00 22.73 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? -22.341 -10.630 16.669 1.00 22.55 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? -21.664 -13.392 16.155 1.00 23.31 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? -19.972 -13.250 16.812 1.00 22.96 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? -22.626 -11.231 18.830 1.00 22.07 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? -22.420 -9.903 19.377 1.00 21.59 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? -21.339 -10.014 20.445 1.00 21.40 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? -21.650 -10.188 21.626 1.00 21.15 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? -23.720 -9.368 19.969 1.00 21.48 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? -20.059 -9.935 20.031 1.00 21.40 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? -18.957 -10.073 20.982 1.00 21.67 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? -19.146 -9.188 22.213 1.00 22.04 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? -19.484 -8.007 22.088 1.00 22.09 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? -17.743 -9.631 20.165 1.00 21.64 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? -18.088 -10.051 18.774 1.00 21.43 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? -19.564 -9.754 18.651 1.00 21.36 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? -18.957 -9.775 23.390 1.00 22.33 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? -19.161 -9.060 24.643 1.00 22.92 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? -20.390 -9.509 25.412 1.00 23.39 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? -20.479 -9.289 26.619 1.00 23.43 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? -21.342 -10.133 24.721 1.00 23.98 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? -22.526 -10.686 25.377 1.00 24.72 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? -22.172 -11.983 26.111 1.00 25.41 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? -21.052 -12.484 25.986 1.00 25.43 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? -23.632 -10.921 24.363 1.00 24.55 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? -23.120 -12.511 26.883 1.00 26.47 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? -22.938 -13.769 27.608 1.00 27.62 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? -22.701 -14.907 26.612 1.00 28.27 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? -23.548 -15.154 25.752 1.00 28.27 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? -24.174 -14.055 28.476 1.00 27.73 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? -24.053 -15.338 29.306 1.00 28.38 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? -23.064 -16.090 29.180 1.00 28.70 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? -24.977 -15.599 30.105 1.00 29.30 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? -21.549 -15.603 26.723 1.00 29.02 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? -21.197 -16.682 25.790 1.00 29.65 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? -22.233 -17.807 25.683 1.00 30.23 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? -22.225 -18.548 24.699 1.00 30.26 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? -19.883 -17.222 26.359 1.00 29.65 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? -19.304 -16.084 27.103 1.00 29.43 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? -20.482 -15.387 27.723 1.00 29.06 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? -23.112 -17.934 26.674 1.00 30.92 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? -24.130 -18.987 26.649 1.00 31.51 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? -25.513 -18.483 26.224 1.00 31.35 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? -26.488 -19.241 26.232 1.00 31.57 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? -24.202 -19.712 27.999 1.00 31.76 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? -24.770 -18.882 29.139 1.00 32.76 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? -24.723 -19.645 30.451 1.00 34.04 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? -24.986 -18.725 31.636 1.00 34.70 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? -23.850 -17.786 31.883 1.00 35.06 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? -25.593 -17.209 25.852 1.00 30.95 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? -26.844 -16.631 25.375 1.00 30.31 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? -26.936 -16.764 23.860 1.00 29.99 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? -25.932 -17.029 23.193 1.00 29.76 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? -26.949 -15.162 25.787 1.00 30.37 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? -26.037 -14.359 25.055 1.00 29.96 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? -28.139 -16.577 23.321 1.00 29.63 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? -28.346 -16.613 21.873 1.00 29.40 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? -27.576 -15.505 21.153 1.00 28.57 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? -27.284 -15.620 19.960 1.00 28.38 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? -29.837 -16.540 21.527 1.00 29.81 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? -30.525 -15.244 21.943 1.00 31.59 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -31.862 -15.069 21.243 1.00 34.71 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -32.894 -15.956 21.775 1.00 37.08 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -34.178 -15.907 21.428 1.00 38.38 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -34.606 -15.012 20.545 1.00 38.86 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -35.042 -16.756 21.968 1.00 39.02 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? -27.245 -14.441 21.883 1.00 27.67 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? -26.472 -13.329 21.331 1.00 26.88 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? -25.035 -13.717 20.976 1.00 26.19 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? -24.349 -12.982 20.264 1.00 26.18 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? -26.480 -12.135 22.290 1.00 27.03 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? -27.737 -11.259 22.290 1.00 27.19 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? -27.695 -10.267 23.440 1.00 27.12 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? -27.909 -10.529 20.957 1.00 27.40 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? -24.588 -14.870 21.470 1.00 25.40 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? -23.243 -15.370 21.186 1.00 24.66 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? -23.248 -16.665 20.374 1.00 24.61 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? -22.183 -17.171 20.007 1.00 24.56 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? -22.463 -15.590 22.484 1.00 24.43 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? -21.829 -14.097 23.281 1.00 23.28 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? -24.440 -17.189 20.091 1.00 24.46 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? -24.595 -18.485 19.421 1.00 24.51 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? -23.829 -18.614 18.102 1.00 24.50 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? -23.319 -19.689 17.785 1.00 24.67 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? -26.071 -18.804 19.215 1.00 24.49 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? -23.741 -17.522 17.346 1.00 24.42 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? -23.100 -17.554 16.032 1.00 24.16 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? -21.598 -17.295 16.064 1.00 24.03 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? -20.898 -17.597 15.095 1.00 23.99 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? -23.785 -16.582 15.068 1.00 24.26 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? -25.283 -16.792 14.816 1.00 24.36 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? -25.775 -15.819 13.757 1.00 24.39 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? -25.599 -18.229 14.408 1.00 24.22 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? -21.105 -16.728 17.163 1.00 23.82 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? -19.673 -16.470 17.299 1.00 23.63 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? -18.892 -17.783 17.274 1.00 23.88 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? -19.384 -18.814 17.745 1.00 23.67 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? -19.375 -15.692 18.581 1.00 23.48 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? -20.108 -14.032 18.687 1.00 22.90 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? -17.679 -17.736 16.727 1.00 24.21 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? -16.892 -18.948 16.475 1.00 24.76 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? -15.619 -19.098 17.317 1.00 25.16 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? -15.038 -20.184 17.362 1.00 25.20 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? -16.558 -19.059 14.984 1.00 24.64 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? -15.183 -18.027 17.976 1.00 25.73 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? -13.946 -18.067 18.762 1.00 26.59 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? -12.713 -18.044 17.877 1.00 27.55 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? -12.787 -17.617 16.723 1.00 27.10 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? -11.581 -18.505 18.407 1.00 28.89 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? -10.315 -18.461 17.666 1.00 30.65 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? -10.058 -19.706 16.817 1.00 32.20 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? -10.949 -20.543 16.638 1.00 32.28 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? -9.131 -18.183 18.607 1.00 30.36 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? -8.864 -19.318 19.594 1.00 30.00 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? -9.349 -20.452 19.395 1.00 29.25 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? -8.149 -19.066 20.584 1.00 29.96 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? -8.829 -19.817 16.312 1.00 34.31 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? -8.397 -20.950 15.490 1.00 36.38 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? -8.690 -22.306 16.140 1.00 37.13 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? -8.623 -23.344 15.479 1.00 37.47 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? -6.900 -20.830 15.162 1.00 36.68 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? -5.999 -21.143 16.359 1.00 37.81 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? -6.467 -21.087 17.523 1.00 38.77 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? -4.806 -21.441 16.128 1.00 38.88 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? -9.017 -22.280 17.432 1.00 37.79 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? -9.257 -23.491 18.217 1.00 38.16 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? -10.644 -23.586 18.847 1.00 37.69 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? -10.934 -24.563 19.536 1.00 37.84 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? -8.237 -23.586 19.349 1.00 38.51 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? -6.913 -24.203 18.985 1.00 39.79 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? -6.220 -24.764 20.207 1.00 41.20 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? -6.631 -25.791 20.751 1.00 41.82 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? -5.167 -24.090 20.654 1.00 41.74 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? -11.490 -22.580 18.643 1.00 36.97 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? -12.806 -22.554 19.289 1.00 35.79 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? -12.755 -22.028 20.716 1.00 34.84 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? -13.761 -22.049 21.431 1.00 34.93 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? -11.576 -21.564 21.128 1.00 33.61 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? -11.412 -20.893 22.412 1.00 32.24 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? -11.795 -19.428 22.251 1.00 31.19 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? -11.817 -18.913 21.131 1.00 30.86 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? -9.963 -20.996 22.903 1.00 32.37 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? -9.358 -22.356 23.272 1.00 32.51 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? -7.866 -22.204 23.543 1.00 32.56 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? -10.048 -22.979 24.475 1.00 32.41 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? -12.095 -18.766 23.368 1.00 29.91 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? -12.421 -17.337 23.377 1.00 28.83 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? -13.691 -16.988 22.596 1.00 27.79 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? -13.817 -15.880 22.069 1.00 27.63 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? -11.235 -16.504 22.863 1.00 29.10 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? -10.191 -16.245 23.932 1.00 29.76 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? -10.560 -16.105 25.117 1.00 30.43 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? -8.994 -16.167 23.583 1.00 30.68 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? -14.623 -17.935 22.521 1.00 26.49 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? -15.900 -17.710 21.850 1.00 25.28 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? -16.560 -16.450 22.402 1.00 24.20 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? -16.774 -16.335 23.611 1.00 23.84 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? -16.818 -18.923 22.032 1.00 25.52 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? -18.189 -18.796 21.378 1.00 26.27 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? -19.134 -19.870 21.899 1.00 27.74 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? -20.566 -19.648 21.435 1.00 28.55 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? -20.738 -19.866 19.969 1.00 29.00 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? -16.841 -15.500 21.511 1.00 23.01 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? -17.570 -14.269 21.847 1.00 22.13 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? -16.778 -13.210 22.638 1.00 21.85 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? -17.372 -12.239 23.112 1.00 21.54 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? -18.897 -14.596 22.568 1.00 22.05 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? -20.281 -13.514 22.106 1.00 21.19 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? -15.463 -13.379 22.788 1.00 21.85 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? -14.656 -12.343 23.453 1.00 22.06 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? -14.642 -11.083 22.593 1.00 22.01 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? -14.582 -11.175 21.365 1.00 21.94 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? -13.193 -12.776 23.748 1.00 22.13 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? -13.157 -13.940 24.726 1.00 22.54 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? -12.421 -13.091 22.460 1.00 22.19 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? -14.724 -9.901 23.225 1.00 22.09 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? -14.681 -8.684 22.412 1.00 22.17 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? -13.266 -8.215 22.040 1.00 22.33 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? -12.865 -7.099 22.378 1.00 22.39 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? -15.413 -7.655 23.279 1.00 22.11 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? -15.215 -8.132 24.673 1.00 22.13 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? -15.205 -9.635 24.598 1.00 22.05 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? -12.526 -9.075 21.347 1.00 22.59 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? -11.241 -8.716 20.749 1.00 22.88 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? -11.026 -9.549 19.489 1.00 23.31 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? -11.791 -10.481 19.224 1.00 23.27 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? -10.075 -8.853 21.753 1.00 22.73 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? -9.754 -10.300 22.111 1.00 22.46 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? -9.697 -11.172 21.249 1.00 22.51 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? -9.512 -10.548 23.392 1.00 21.64 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? -9.988 -9.221 18.725 1.00 23.92 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? -9.743 -9.856 17.429 1.00 24.57 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? -9.477 -11.369 17.465 1.00 25.02 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? -9.338 -11.987 16.406 1.00 25.18 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? -8.607 -9.136 16.697 1.00 24.52 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? -7.380 -9.308 17.382 1.00 24.79 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? -9.403 -11.966 18.655 1.00 25.35 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? -9.304 -13.428 18.751 1.00 25.65 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? -10.577 -14.087 18.245 1.00 25.21 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? -10.529 -15.142 17.609 1.00 25.32 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? -9.008 -13.889 20.181 1.00 26.02 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? -7.582 -13.621 20.644 1.00 27.41 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? -6.550 -14.069 19.609 1.00 29.81 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? -6.361 -15.581 19.606 1.00 30.94 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? -5.589 -16.032 18.414 1.00 31.95 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? -11.711 -13.455 18.540 1.00 24.46 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? -12.999 -13.897 18.024 1.00 23.73 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? -13.030 -13.655 16.517 1.00 23.14 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? -12.842 -12.527 16.051 1.00 22.82 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? -14.144 -13.170 18.742 1.00 23.77 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? -15.513 -13.244 18.055 1.00 23.94 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? -16.011 -14.667 17.842 1.00 24.15 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? -16.135 -15.422 18.833 1.00 23.90 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? -16.287 -15.024 16.676 1.00 23.67 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? -13.244 -14.738 15.772 1.00 22.45 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? -13.267 -14.726 14.308 1.00 22.10 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? -14.199 -13.661 13.718 1.00 21.46 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? -13.856 -13.011 12.731 1.00 21.39 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? -13.636 -16.124 13.785 1.00 22.20 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? -13.881 -16.216 12.282 1.00 23.34 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? -14.504 -17.552 11.885 1.00 25.05 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? -13.459 -18.547 11.398 1.00 26.17 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? -14.092 -19.739 10.760 1.00 27.16 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? -15.369 -13.483 14.327 1.00 21.02 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? -16.359 -12.537 13.811 1.00 20.83 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? -16.432 -11.217 14.590 1.00 20.55 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? -17.487 -10.580 14.652 1.00 20.55 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? -17.740 -13.195 13.718 1.00 20.91 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? -17.772 -14.438 12.854 1.00 21.55 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? -17.340 -14.403 11.527 1.00 22.30 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? -18.243 -15.648 13.362 1.00 22.25 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? -17.372 -15.544 10.729 1.00 22.49 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? -18.278 -16.795 12.571 1.00 22.58 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? -17.843 -16.735 11.258 1.00 22.80 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? -17.876 -17.868 10.478 1.00 23.18 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? -15.303 -10.803 15.160 1.00 20.20 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? -15.228 -9.551 15.912 1.00 20.02 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? -14.981 -8.339 15.010 1.00 19.80 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? -14.292 -8.443 13.993 1.00 19.54 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? -14.134 -9.629 16.986 1.00 20.11 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? -13.872 -8.301 17.660 1.00 20.50 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? -14.702 -7.847 18.682 1.00 20.84 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? -12.817 -7.482 17.254 1.00 21.02 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? -14.483 -6.621 19.293 1.00 21.29 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? -12.591 -6.247 17.861 1.00 21.22 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? -13.429 -5.828 18.881 1.00 21.30 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? -13.222 -4.616 19.495 1.00 22.06 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? -15.536 -7.191 15.399 1.00 19.74 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? -15.265 -5.923 14.716 1.00 19.72 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? -15.902 -5.802 13.345 1.00 19.80 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? -16.656 -6.682 12.920 1.00 19.65 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? -15.592 -4.704 12.656 1.00 19.91 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? -16.140 -4.430 11.327 1.00 20.22 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? -15.905 -5.582 10.358 1.00 20.69 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? -16.837 -6.044 9.697 1.00 20.62 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? -15.522 -3.167 10.726 1.00 19.97 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? -15.848 -1.866 11.424 1.00 19.55 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? -17.163 -1.408 11.532 1.00 19.21 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? -14.827 -1.066 11.931 1.00 18.88 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? -17.449 -0.194 12.156 1.00 19.05 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? -15.101 0.142 12.553 1.00 18.58 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? -16.409 0.574 12.663 1.00 18.75 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? -16.665 1.775 13.286 1.00 18.74 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? -14.653 -6.028 10.279 1.00 21.28 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? -14.244 -7.088 9.361 1.00 21.99 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? -14.882 -8.429 9.723 1.00 21.72 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? -15.376 -9.141 8.845 1.00 21.72 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? -12.701 -7.219 9.315 1.00 22.21 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? -12.130 -5.963 8.935 1.00 23.12 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? -12.265 -8.276 8.312 1.00 22.78 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? -14.873 -8.761 11.011 1.00 21.50 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? -15.456 -10.008 11.490 1.00 21.07 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? -16.954 -10.081 11.266 1.00 20.88 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? -17.468 -11.101 10.797 1.00 20.70 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? -17.650 -8.995 11.600 1.00 20.66 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? -19.095 -8.905 11.402 1.00 20.80 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? -19.459 -9.035 9.927 1.00 20.96 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? -20.453 -9.677 9.588 1.00 21.09 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? -19.640 -7.601 11.975 1.00 20.67 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? -18.658 -8.432 9.052 1.00 21.27 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? -18.898 -8.569 7.620 1.00 21.75 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? -18.601 -9.988 7.125 1.00 21.98 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? -19.309 -10.502 6.258 1.00 22.08 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? -18.121 -7.532 6.802 1.00 21.78 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? -18.469 -7.548 5.338 1.00 22.06 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? -19.748 -7.195 4.913 1.00 22.22 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? -17.531 -7.939 4.389 1.00 22.45 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? -20.089 -7.221 3.562 1.00 22.54 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? -17.861 -7.966 3.031 1.00 22.74 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? -19.142 -7.606 2.619 1.00 22.69 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? -17.563 -10.615 7.679 1.00 22.28 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? -17.229 -12.000 7.333 1.00 22.53 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? -18.364 -12.938 7.736 1.00 22.53 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? -18.707 -13.870 7.005 1.00 22.47 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? -15.925 -12.441 8.003 1.00 22.64 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? -15.517 -13.866 7.643 1.00 23.60 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? -14.321 -14.348 8.435 1.00 25.01 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? -13.851 -15.641 7.944 1.00 26.26 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? -12.658 -16.164 8.214 1.00 26.85 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? -11.792 -15.510 8.978 1.00 27.18 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? -12.326 -17.347 7.714 1.00 27.05 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? -18.935 -12.666 8.907 1.00 22.60 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? -20.089 -13.385 9.443 1.00 22.81 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? -21.242 -13.403 8.436 1.00 23.29 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? -21.924 -14.419 8.278 1.00 23.22 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? -20.505 -12.733 10.772 1.00 22.57 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? -22.051 -13.281 11.551 1.00 21.88 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? -21.443 -12.279 7.751 1.00 23.93 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? -22.452 -12.185 6.702 1.00 24.65 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? -21.987 -12.891 5.433 1.00 25.29 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? -22.720 -13.700 4.860 1.00 25.39 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? -22.779 -10.720 6.395 1.00 24.58 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? -23.663 -10.450 5.171 1.00 24.36 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? -25.090 -10.939 5.396 1.00 23.86 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? -23.652 -8.976 4.825 1.00 24.10 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? -20.766 -12.575 5.007 1.00 26.01 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? -20.174 -13.132 3.792 1.00 26.70 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? -20.166 -14.660 3.762 1.00 27.10 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? -20.291 -15.260 2.693 1.00 27.29 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? -18.766 -12.595 3.606 1.00 26.70 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? -20.021 -15.282 4.930 1.00 27.37 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? -20.001 -16.740 5.027 1.00 27.60 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? -21.397 -17.323 5.251 1.00 27.59 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? -21.549 -18.538 5.406 1.00 27.55 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? -19.041 -17.195 6.131 1.00 27.68 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? -17.574 -16.892 5.840 1.00 28.40 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? -16.627 -17.402 6.914 1.00 29.19 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? -17.077 -17.674 8.046 1.00 29.82 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? -15.418 -17.525 6.622 1.00 29.67 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? -22.406 -16.452 5.263 1.00 27.59 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? -23.809 -16.850 5.437 1.00 27.59 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? -24.113 -17.451 6.807 1.00 27.20 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? -25.048 -18.243 6.954 1.00 27.18 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? -24.253 -17.811 4.326 1.00 27.89 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? -24.374 -17.129 2.984 1.00 28.56 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? -25.192 -16.194 2.861 1.00 29.44 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? -23.654 -17.529 2.046 1.00 29.64 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? -23.321 -17.072 7.805 1.00 26.64 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? -23.587 -17.467 9.183 1.00 26.04 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? -24.745 -16.610 9.697 1.00 25.64 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? -25.645 -17.101 10.382 1.00 25.45 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? -22.319 -17.322 10.066 1.00 26.12 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? -22.642 -17.518 11.543 1.00 26.08 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? -21.248 -18.316 9.624 1.00 26.12 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? -24.722 -15.330 9.337 1.00 25.27 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? -25.797 -14.407 9.691 1.00 24.90 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? -26.557 -13.927 8.469 1.00 24.62 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? -26.086 -14.070 7.339 1.00 24.60 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? -27.738 -13.359 8.698 1.00 24.35 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? -28.562 -12.811 7.619 1.00 24.07 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? -28.251 -11.342 7.362 1.00 23.88 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? -28.372 -10.858 6.234 1.00 23.79 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? -30.047 -12.963 7.949 1.00 24.10 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? -30.491 -14.412 7.991 1.00 24.20 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? -30.330 -15.118 6.973 1.00 24.08 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? -31.012 -14.843 9.041 1.00 24.31 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? -27.864 -10.640 8.423 1.00 23.55 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? -27.582 -9.213 8.356 1.00 23.24 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? -26.346 -8.871 9.184 1.00 22.91 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? -26.117 -9.450 10.248 1.00 22.88 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? -28.810 -8.369 8.811 1.00 23.28 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? -29.211 -8.691 10.258 1.00 23.36 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? -28.554 -6.870 8.631 1.00 23.30 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? -25.550 -7.938 8.672 1.00 22.51 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? -24.391 -7.430 9.387 1.00 22.12 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? -24.567 -5.937 9.617 1.00 21.93 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? -24.983 -5.203 8.716 1.00 21.75 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? -23.118 -7.705 8.605 1.00 22.08 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? -24.268 -5.499 10.834 1.00 21.70 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? -24.333 -4.089 11.177 1.00 21.56 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? -22.917 -3.553 11.240 1.00 21.48 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? -22.204 -3.735 12.232 1.00 21.42 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? -25.074 -3.887 12.499 1.00 21.59 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? -26.500 -4.356 12.464 1.00 21.98 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? -27.477 -3.604 11.816 1.00 22.01 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? -26.867 -5.556 13.064 1.00 22.21 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? -28.800 -4.034 11.775 1.00 22.33 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? -28.188 -5.996 13.029 1.00 22.63 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? -29.157 -5.232 12.382 1.00 22.54 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? -22.507 -2.927 10.146 1.00 21.41 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? -21.163 -2.393 10.010 1.00 21.50 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? -21.280 -0.992 9.427 1.00 21.70 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? -22.383 -0.452 9.308 1.00 21.72 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? -20.314 -3.239 9.021 1.00 21.40 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? -19.979 -4.605 9.624 1.00 21.62 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? -21.040 -3.412 7.684 1.00 21.25 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? -20.146 -0.400 9.080 1.00 22.11 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? -20.153 0.911 8.459 1.00 22.66 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? -20.002 0.715 6.965 1.00 23.14 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? -19.577 -0.352 6.509 1.00 23.09 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? -19.022 1.777 9.008 1.00 22.53 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? -17.638 1.241 8.714 1.00 22.41 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? -16.573 2.139 9.285 1.00 22.26 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? -15.217 1.497 9.131 1.00 21.57 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? -14.133 2.372 9.644 1.00 21.53 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? -20.291 1.747 6.190 1.00 23.84 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? -20.246 1.720 4.738 1.00 24.55 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? -18.925 1.270 4.146 1.00 24.70 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? -18.877 0.527 3.225 1.00 24.76 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? -20.596 3.092 4.157 1.00 24.84 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? -20.145 3.257 2.715 1.00 25.62 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? -20.714 2.683 1.842 1.00 26.48 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? -19.096 4.018 2.490 1.00 26.67 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? -17.859 1.751 4.730 1.00 24.88 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? -16.502 1.504 4.209 1.00 25.10 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? -16.121 0.024 4.231 1.00 25.12 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? -15.411 -0.450 3.342 1.00 24.97 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? -15.446 2.304 4.981 1.00 25.20 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? -15.783 3.776 5.082 1.00 25.71 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? -16.644 4.131 5.914 1.00 25.89 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? -15.180 4.580 4.341 1.00 26.33 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? -16.592 -0.691 5.251 1.00 25.28 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? -16.295 -2.115 5.415 1.00 25.57 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? -16.688 -2.931 4.178 1.00 25.91 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? -15.925 -3.792 3.733 1.00 25.83 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? -16.983 -2.699 6.672 1.00 25.49 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? -16.694 -1.872 7.806 1.00 25.45 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? -16.492 -4.116 6.953 1.00 25.47 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? -17.869 -2.649 3.630 1.00 26.44 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? -18.361 -3.331 2.432 1.00 27.15 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? -17.400 -3.144 1.256 1.00 27.75 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? -17.020 -4.112 0.597 1.00 27.71 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? -19.773 -2.836 2.031 1.00 27.12 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? -20.286 -3.594 0.810 1.00 27.14 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? -20.745 -2.985 3.193 1.00 27.05 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? -17.006 -1.896 1.017 1.00 28.67 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? -16.117 -1.538 -0.089 1.00 29.67 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? -14.722 -2.132 0.029 1.00 30.28 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? -14.142 -2.580 -0.962 1.00 30.41 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? -16.021 -0.019 -0.201 1.00 29.69 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? -17.285 0.565 -0.686 1.00 30.27 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? -18.405 0.819 0.049 1.00 30.60 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? -17.590 0.937 -2.031 1.00 30.91 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? -19.390 1.339 -0.753 1.00 30.90 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? -18.917 1.423 -2.036 1.00 31.08 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? -16.871 0.913 -3.234 1.00 31.19 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? -19.543 1.884 -3.199 1.00 31.39 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? -17.493 1.372 -4.391 1.00 31.38 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? -18.817 1.852 -4.363 1.00 31.53 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? -14.194 -2.133 1.247 1.00 31.10 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? -12.824 -2.562 1.498 1.00 32.05 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? -12.641 -4.076 1.489 1.00 32.42 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? -11.509 -4.562 1.472 1.00 32.46 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? -12.322 -1.968 2.815 1.00 32.13 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? -12.157 -0.455 2.761 1.00 33.15 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? -11.912 0.169 4.123 1.00 34.35 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? -11.655 -0.571 5.098 1.00 34.70 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? -11.979 1.414 4.216 1.00 35.08 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? -13.742 -4.820 1.492 1.00 33.14 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? -13.663 -6.279 1.519 1.00 33.82 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? -14.371 -6.958 0.345 1.00 34.33 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? -14.768 -8.123 0.437 1.00 34.29 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? -14.173 -6.810 2.862 1.00 33.79 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? -13.358 -6.298 4.037 1.00 33.90 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? -12.199 -6.672 4.215 1.00 34.03 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? -13.964 -5.436 4.845 1.00 33.70 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? -14.515 -6.226 -0.757 1.00 35.08 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? -15.163 -6.744 -1.964 1.00 35.85 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? -14.398 -6.355 -3.224 1.00 36.62 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? -13.589 -5.422 -3.208 1.00 36.63 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? -16.610 -6.226 -2.112 1.00 35.75 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? -16.622 -4.797 -1.976 1.00 35.67 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? -17.532 -6.850 -1.064 1.00 35.54 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? -14.670 -7.079 -4.309 1.00 37.60 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? -14.087 -6.806 -5.624 1.00 38.67 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? -12.559 -6.731 -5.624 1.00 39.24 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? -11.970 -5.885 -6.303 1.00 39.33 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? -14.691 -5.531 -6.234 1.00 38.71 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? -16.177 -5.658 -6.506 1.00 39.20 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? -16.914 -6.273 -5.737 1.00 39.81 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? -16.626 -5.062 -7.603 1.00 39.61 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? -11.924 -7.610 -4.851 1.00 39.94 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? -10.464 -7.699 -4.821 1.00 40.82 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? -9.716 -6.697 -3.953 1.00 41.47 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? -8.484 -6.669 -3.978 1.00 41.46 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? -10.438 -5.880 -3.188 1.00 42.18 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? -9.801 -4.910 -2.286 1.00 42.94 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? -9.111 -5.599 -1.112 1.00 43.49 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? -8.139 -5.082 -0.556 1.00 43.51 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? -10.812 -3.881 -1.776 1.00 42.90 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? -11.328 -2.922 -2.843 1.00 43.06 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? -10.243 -2.032 -3.424 1.00 43.38 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? -9.524 -1.370 -2.645 1.00 43.18 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? -10.116 -1.988 -4.665 1.00 43.73 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? -9.632 -6.765 -0.744 1.00 44.27 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? -9.037 -7.607 0.280 1.00 45.08 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? -8.570 -8.892 -0.383 1.00 45.63 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? -9.311 -9.498 -1.161 1.00 45.70 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? -10.066 -7.916 1.369 1.00 45.05 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? -9.689 -9.053 2.127 1.00 45.14 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? -7.343 -9.302 -0.086 1.00 46.32 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? -6.812 -10.548 -0.632 1.00 46.99 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? -7.032 -11.713 0.331 1.00 47.08 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? -6.596 -12.838 0.066 1.00 47.23 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? -5.318 -10.427 -0.996 1.00 47.08 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? -4.614 -9.776 0.069 1.00 47.38 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? -5.142 -9.626 -2.280 1.00 47.31 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? -7.716 -11.434 1.440 1.00 47.05 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? -8.030 -12.444 2.446 1.00 46.83 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? -8.858 -13.580 1.856 1.00 46.60 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? -9.723 -13.359 1.004 1.00 46.63 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? -8.751 -11.817 3.630 1.00 46.90 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? -8.571 -14.790 2.327 1.00 46.17 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? -9.183 -16.032 1.852 1.00 45.65 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? -10.694 -15.947 1.610 1.00 44.87 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? -11.179 -16.285 0.528 1.00 44.83 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? -8.889 -17.144 2.863 1.00 45.94 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? -8.369 -18.408 2.211 1.00 46.56 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? -8.639 -18.633 1.011 1.00 47.06 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? -7.684 -19.187 2.909 1.00 47.29 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? -11.421 -15.494 2.629 1.00 43.78 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? -12.883 -15.435 2.603 1.00 42.67 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? -13.443 -14.277 1.769 1.00 42.28 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? -14.612 -14.302 1.376 1.00 42.12 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? -13.419 -15.344 4.035 1.00 42.44 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? -12.915 -14.136 4.766 1.00 41.49 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? -11.752 -14.033 5.476 1.00 40.90 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? -13.546 -12.852 4.842 1.00 40.56 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? -11.624 -12.767 5.994 1.00 40.50 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? -12.711 -12.022 5.621 1.00 40.35 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? -14.741 -12.323 4.331 1.00 40.30 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? -13.030 -10.690 5.902 1.00 40.13 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? -15.057 -10.996 4.609 1.00 39.89 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? -14.203 -10.196 5.391 1.00 39.92 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? -12.611 -13.271 1.503 1.00 41.90 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? -13.069 -12.033 0.860 1.00 41.67 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? -12.679 -11.869 -0.613 1.00 41.63 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? -13.332 -11.118 -1.343 1.00 41.52 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? -12.611 -10.820 1.667 1.00 41.59 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? -11.627 -12.563 -1.045 1.00 41.72 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? -11.100 -12.416 -2.410 1.00 41.89 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? -12.123 -12.623 -3.536 1.00 41.91 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? -11.946 -12.104 -4.641 1.00 41.96 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? -9.878 -13.316 -2.623 1.00 41.94 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? -10.161 -14.810 -2.537 1.00 42.18 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? -8.902 -15.617 -2.792 1.00 42.62 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? -9.190 -17.108 -2.756 1.00 42.86 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? -7.942 -17.912 -2.886 1.00 43.16 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? -13.187 -13.371 -3.251 1.00 41.92 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? -14.181 -13.717 -4.266 1.00 41.95 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? -15.508 -12.963 -4.129 1.00 41.79 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? -16.453 -13.220 -4.879 1.00 41.80 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? -14.429 -15.228 -4.258 1.00 42.10 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? -14.265 -15.854 -5.628 1.00 42.50 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? -13.317 -15.551 -6.353 1.00 42.66 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? -15.183 -16.745 -5.984 1.00 42.98 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? -15.573 -12.030 -3.182 1.00 41.52 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? -16.803 -11.281 -2.927 1.00 41.27 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? -16.985 -10.108 -3.886 1.00 41.25 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? -16.044 -9.359 -4.154 1.00 41.10 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? -16.853 -10.797 -1.475 1.00 41.16 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? -16.723 -11.858 -0.377 1.00 40.93 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? -16.730 -11.188 0.987 1.00 40.47 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? -17.822 -12.917 -0.466 1.00 40.59 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? -18.207 -9.963 -4.394 1.00 41.31 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? -18.559 -8.878 -5.307 1.00 41.45 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? -19.588 -7.942 -4.677 1.00 41.27 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? -20.554 -8.401 -4.064 1.00 41.22 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? -19.092 -9.437 -6.633 1.00 41.60 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? -18.143 -10.396 -7.351 1.00 42.38 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? -16.788 -9.728 -7.643 1.00 43.57 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? -15.959 -10.595 -8.576 1.00 44.36 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? -15.053 -9.695 -9.483 1.00 44.89 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? -19.370 -6.636 -4.833 1.00 41.16 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? -20.276 -5.602 -4.314 1.00 41.05 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? -21.727 -5.822 -4.713 1.00 40.70 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? -22.637 -5.652 -3.899 1.00 40.70 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? -19.842 -4.218 -4.796 1.00 41.19 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? -18.953 -3.489 -3.827 1.00 41.79 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? -18.010 -2.564 -4.555 1.00 42.65 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? -16.674 -2.657 -3.978 1.00 43.27 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? -15.579 -2.116 -4.502 1.00 43.60 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? -15.639 -1.421 -5.631 1.00 43.74 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? -14.416 -2.270 -3.888 1.00 43.54 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? -21.923 -6.196 -5.976 1.00 40.15 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? -23.245 -6.422 -6.548 1.00 39.57 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? -24.054 -7.479 -5.790 1.00 38.67 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? -25.286 -7.452 -5.804 1.00 38.64 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? -23.109 -6.784 -8.036 1.00 39.81 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? -24.402 -7.165 -8.765 1.00 40.86 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? -25.526 -6.149 -8.600 1.00 42.09 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? -25.257 -4.925 -8.608 1.00 42.60 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? -26.691 -6.585 -8.473 1.00 42.52 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? -23.364 -8.388 -5.108 1.00 37.47 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? -24.035 -9.455 -4.367 1.00 36.22 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? -24.566 -9.018 -2.998 1.00 35.10 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? -25.136 -9.826 -2.261 1.00 34.88 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? -23.112 -10.672 -4.228 1.00 36.42 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? -22.794 -11.321 -5.567 1.00 36.78 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? -23.553 -11.112 -6.540 1.00 37.06 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? -21.783 -12.047 -5.649 1.00 37.26 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? -24.393 -7.738 -2.673 1.00 33.72 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? -24.840 -7.197 -1.392 1.00 32.44 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? -25.836 -6.053 -1.547 1.00 31.74 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? -25.817 -5.326 -2.544 1.00 31.55 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? -23.643 -6.741 -0.554 1.00 32.33 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? -22.750 -7.866 -0.111 1.00 31.78 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? -23.022 -8.568 1.059 1.00 31.31 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? -21.634 -8.221 -0.861 1.00 31.46 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? -22.196 -9.609 1.474 1.00 31.26 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? -20.803 -9.259 -0.456 1.00 31.37 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? -21.084 -9.955 0.714 1.00 31.11 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? -26.701 -5.909 -0.545 1.00 30.93 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? -27.702 -4.847 -0.504 1.00 30.23 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? -27.744 -4.191 0.870 1.00 29.56 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? -27.520 -4.848 1.889 1.00 29.30 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? -29.090 -5.399 -0.845 1.00 30.42 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? -29.295 -5.756 -2.309 1.00 31.18 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? -29.334 -4.514 -3.184 1.00 32.76 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? -29.550 -4.848 -4.588 1.00 34.22 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? -28.582 -5.061 -5.475 1.00 34.95 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? -27.305 -4.976 -5.119 1.00 35.37 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? -28.894 -5.358 -6.729 1.00 35.34 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? -28.039 -2.894 0.885 1.00 28.83 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? -28.191 -2.145 2.127 1.00 28.28 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? -29.661 -2.052 2.494 1.00 28.20 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? -30.507 -1.823 1.626 1.00 28.11 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? -27.606 -0.739 1.981 1.00 28.03 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? -26.141 -0.611 1.553 1.00 27.72 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? -25.790 0.847 1.327 1.00 27.36 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? -25.201 -1.236 2.581 1.00 27.03 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? -29.968 -2.234 3.775 1.00 28.25 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? -31.340 -2.087 4.250 1.00 28.42 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -31.583 -0.650 4.693 1.00 28.56 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? -30.893 -0.142 5.580 1.00 28.49 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -31.635 -3.056 5.399 1.00 28.45 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? -31.545 -4.566 5.158 1.00 28.70 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -31.989 -5.311 6.408 1.00 29.02 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -32.374 -5.004 3.955 1.00 28.89 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -32.553 0.006 4.061 1.00 28.83 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -32.910 1.378 4.415 1.00 29.18 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -34.056 1.364 5.410 1.00 29.58 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -34.811 0.390 5.484 1.00 29.51 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -33.312 2.179 3.175 1.00 29.07 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -32.398 1.760 1.678 1.00 29.28 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -34.192 2.449 6.164 1.00 30.23 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -35.222 2.541 7.196 1.00 31.01 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -36.649 2.627 6.647 1.00 31.53 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -37.608 2.391 7.384 1.00 31.72 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -34.938 3.715 8.139 1.00 31.00 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -33.696 3.586 9.029 1.00 31.04 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -33.407 4.898 9.741 1.00 31.10 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -33.845 2.448 10.035 1.00 31.11 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -36.789 2.947 5.362 1.00 32.08 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -38.111 3.039 4.735 1.00 32.59 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -38.621 1.700 4.186 1.00 32.64 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -39.650 1.653 3.507 1.00 32.71 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -38.119 4.108 3.635 1.00 32.73 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -37.156 3.797 2.499 1.00 33.35 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -36.566 2.694 2.481 1.00 34.28 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -36.987 4.666 1.619 1.00 33.90 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -37.893 0.622 4.473 1.00 32.60 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -38.286 -0.714 4.035 1.00 32.40 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -37.743 -1.134 2.680 1.00 32.29 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -37.999 -2.252 2.231 1.00 32.36 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -36.992 -0.248 2.029 1.00 32.11 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -36.409 -0.547 0.719 1.00 31.92 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -35.002 -1.141 0.831 1.00 31.70 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -34.366 -1.062 1.887 1.00 31.64 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -36.366 0.702 -0.195 1.00 31.98 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -35.618 1.744 0.445 1.00 32.07 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -37.775 1.202 -0.504 1.00 31.99 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -34.537 -1.740 -0.266 1.00 31.42 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -33.185 -2.286 -0.383 1.00 31.30 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -32.478 -1.561 -1.521 1.00 31.35 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -33.056 -1.388 -2.596 1.00 31.32 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -33.234 -3.780 -0.718 1.00 31.22 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -33.809 -4.683 0.361 1.00 31.07 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -34.460 -5.925 -0.250 1.00 31.14 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -33.521 -6.763 -1.001 1.00 31.13 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -32.907 -7.839 -0.513 1.00 30.96 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -33.118 -8.226 0.738 1.00 30.95 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -32.077 -8.532 -1.281 1.00 30.90 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? -31.237 -1.141 -1.302 1.00 31.43 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? -30.506 -0.406 -2.335 1.00 31.64 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? -29.105 -0.969 -2.555 1.00 31.66 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? -28.553 -1.608 -1.654 1.00 31.56 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? -30.448 1.088 -1.996 1.00 31.69 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -31.826 1.750 -1.912 1.00 32.22 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -31.716 3.263 -1.802 1.00 33.07 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -33.042 3.895 -1.388 1.00 33.77 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -34.168 3.562 -2.318 1.00 34.30 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? -28.530 -0.761 -3.758 1.00 31.80 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? -27.140 -1.180 -3.918 1.00 31.97 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? -26.215 -0.403 -2.989 1.00 32.15 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? -26.549 0.705 -2.556 1.00 32.12 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? -26.826 -0.859 -5.389 1.00 31.97 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? -27.917 0.058 -5.839 1.00 31.95 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? -29.118 -0.327 -5.043 1.00 31.81 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? -25.061 -0.990 -2.695 1.00 32.39 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? -24.110 -0.418 -1.741 1.00 32.65 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? -23.568 0.954 -2.159 1.00 32.74 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? -22.937 1.645 -1.358 1.00 32.85 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? -22.945 -1.401 -1.445 1.00 32.70 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? -23.491 -2.733 -0.939 1.00 32.65 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? -22.074 -1.614 -2.682 1.00 32.65 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? -23.828 1.347 -3.406 1.00 32.71 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? -23.421 2.661 -3.910 1.00 32.54 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? -24.316 3.791 -3.394 1.00 32.44 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? -23.970 4.967 -3.522 1.00 32.48 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? -23.403 2.707 -5.457 1.00 32.56 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? -24.616 2.143 -5.971 1.00 32.54 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? -22.211 1.932 -6.009 1.00 32.52 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? -25.456 3.428 -2.805 1.00 32.31 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? -26.446 4.407 -2.351 1.00 32.20 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? -26.426 4.645 -0.844 1.00 31.76 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? -27.437 5.062 -0.273 1.00 31.54 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? -27.860 3.979 -2.770 1.00 32.46 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? -28.014 3.598 -4.234 1.00 33.66 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? -27.410 4.620 -5.175 1.00 35.23 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? -27.785 5.811 -5.095 1.00 35.83 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? -26.557 4.229 -6.001 1.00 35.98 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? -25.287 4.390 -0.204 1.00 31.45 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? -25.178 4.539 1.248 1.00 31.29 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? -25.571 5.931 1.730 1.00 31.32 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? -26.148 6.073 2.809 1.00 31.04 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? -23.783 4.186 1.726 1.00 31.26 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? -25.273 6.951 0.927 1.00 31.67 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? -25.594 8.325 1.307 1.00 32.20 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? -27.098 8.528 1.516 1.00 31.97 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? -27.503 9.401 2.282 1.00 32.06 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? -25.038 9.326 0.291 1.00 32.47 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? -24.776 10.712 0.874 1.00 34.10 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? -23.699 11.491 0.130 1.00 35.91 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? -23.311 12.580 0.551 1.00 36.70 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? -23.211 10.936 -0.976 1.00 36.70 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? -27.917 7.714 0.853 1.00 31.80 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? -29.371 7.811 0.990 1.00 31.55 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? -30.009 6.599 1.681 1.00 31.15 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? -31.236 6.507 1.767 1.00 31.23 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? -30.024 8.053 -0.377 1.00 31.68 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? -29.887 6.923 -1.222 1.00 31.89 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? -29.180 5.683 2.181 1.00 30.48 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? -29.670 4.444 2.793 1.00 29.77 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? -28.771 3.978 3.950 1.00 29.35 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? -28.183 2.895 3.905 1.00 29.18 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? -29.816 3.356 1.716 1.00 29.74 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? -30.452 1.753 2.273 1.00 29.64 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? -28.665 4.812 4.981 1.00 28.80 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? -27.888 4.487 6.177 1.00 28.32 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? -28.770 4.610 7.412 1.00 28.01 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? -29.850 5.203 7.353 1.00 27.84 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? -26.677 5.413 6.302 1.00 28.37 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? -27.026 6.866 6.246 1.00 28.45 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? -26.998 7.589 5.074 1.00 28.72 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? -27.438 7.724 7.208 1.00 28.77 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? -27.360 8.835 5.318 1.00 28.92 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? -27.636 8.943 6.605 1.00 28.98 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? -28.306 4.053 8.527 1.00 27.58 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? -29.066 4.090 9.773 1.00 27.19 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? -28.744 5.332 10.593 1.00 26.95 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? -29.577 5.802 11.371 1.00 27.02 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? -28.806 2.832 10.605 1.00 27.16 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? -28.986 1.453 9.960 1.00 26.91 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? -28.795 0.368 11.011 1.00 26.51 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? -30.350 1.305 9.288 1.00 26.69 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? -27.531 5.850 10.414 1.00 26.59 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? -27.064 7.045 11.110 1.00 26.22 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? -25.672 7.413 10.627 1.00 25.99 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? -25.001 6.617 9.965 1.00 25.89 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? -27.052 6.826 12.625 1.00 26.29 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? -25.254 8.630 10.953 1.00 25.68 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? -23.886 9.064 10.731 1.00 25.43 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? -23.193 8.934 12.083 1.00 24.98 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? -23.703 9.422 13.093 1.00 25.01 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? -23.833 10.524 10.228 1.00 25.57 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? -22.407 10.929 9.904 1.00 25.73 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? -24.713 10.699 8.990 1.00 25.83 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? -22.049 8.261 12.109 1.00 24.45 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? -21.359 7.981 13.369 1.00 23.86 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? -20.126 8.860 13.566 1.00 23.52 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? -19.395 9.116 12.610 1.00 23.42 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? -20.974 6.522 13.429 1.00 23.78 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? -19.886 9.328 14.808 1.00 23.34 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? -18.654 10.087 15.003 1.00 23.21 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? -17.432 9.172 14.907 1.00 23.10 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? -17.480 8.021 15.355 1.00 23.12 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? -18.808 10.661 16.415 1.00 23.24 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? -19.744 9.724 17.104 1.00 23.41 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? -20.690 9.239 16.043 1.00 23.35 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? -16.361 9.682 14.307 1.00 22.83 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? -15.146 8.901 14.084 1.00 22.55 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? -14.529 8.356 15.365 1.00 21.91 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? -14.732 8.908 16.451 1.00 21.71 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? -14.109 9.731 13.325 1.00 22.89 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? -14.510 9.993 11.886 1.00 24.03 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? -15.386 9.323 11.337 1.00 25.68 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? -13.858 10.960 11.260 1.00 24.94 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? -13.790 7.258 15.223 1.00 21.11 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? -13.017 6.696 16.318 1.00 20.53 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? -11.984 7.734 16.734 1.00 20.21 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? -11.432 8.444 15.887 1.00 20.17 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? -12.328 5.402 15.878 1.00 20.49 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? -13.266 4.252 15.663 1.00 20.48 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? -12.848 2.939 15.692 1.00 20.65 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? -14.600 4.217 15.427 1.00 20.53 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? -13.881 2.144 15.476 1.00 20.52 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? -14.957 2.894 15.315 1.00 20.78 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? -11.729 7.830 18.032 1.00 19.80 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? -10.802 8.835 18.533 1.00 19.62 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? -9.898 8.295 19.629 1.00 19.57 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? -10.242 7.340 20.333 1.00 19.28 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? -11.566 10.069 19.021 1.00 19.45 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? -8.728 8.912 19.748 1.00 19.86 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? -7.786 8.608 20.811 1.00 20.17 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? -8.287 9.284 22.078 1.00 20.40 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? -8.624 10.471 22.064 1.00 20.40 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? -6.365 9.113 20.467 1.00 20.22 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? -5.397 8.857 21.622 1.00 20.43 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? -5.856 8.453 19.189 1.00 20.19 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? -8.366 8.520 23.163 1.00 20.65 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? -8.747 9.072 24.453 1.00 21.11 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? -7.625 8.864 25.454 1.00 21.65 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? -6.842 7.921 25.340 1.00 21.63 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? -10.060 8.457 25.010 1.00 21.00 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? -11.207 8.614 24.012 1.00 20.92 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? -9.864 6.991 25.393 1.00 21.12 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? -7.548 9.757 26.429 1.00 22.45 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? -6.572 9.636 27.491 1.00 23.40 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? -7.150 10.306 28.715 1.00 24.00 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? -8.206 10.943 28.642 1.00 24.10 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? -5.251 10.300 27.091 1.00 23.28 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? -5.341 11.711 27.170 1.00 23.87 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? -6.465 10.157 29.841 1.00 24.78 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? -6.849 10.878 31.035 1.00 25.63 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? -6.556 12.350 30.773 1.00 26.29 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? -5.568 12.682 30.115 1.00 26.22 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? -6.076 10.358 32.243 1.00 25.55 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? -6.978 9.955 33.397 1.00 25.64 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? -6.231 9.125 34.426 1.00 26.05 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? -5.225 9.913 35.134 1.00 25.81 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? -4.569 9.501 36.214 1.00 25.75 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? -4.808 8.301 36.731 1.00 25.02 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? -3.675 10.296 36.786 1.00 25.37 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? -7.431 13.223 31.262 1.00 27.40 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? -7.322 14.660 31.008 1.00 28.52 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? -5.965 15.252 31.381 1.00 29.07 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? -5.434 16.099 30.659 1.00 29.22 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? -8.424 15.415 31.746 1.00 28.58 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? -8.113 16.795 31.816 1.00 29.05 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? -5.413 14.811 32.507 1.00 29.73 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? -4.127 15.319 32.981 1.00 30.38 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? -2.935 14.833 32.146 1.00 30.51 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? -1.804 15.283 32.345 1.00 30.56 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? -3.929 15.004 34.473 1.00 30.56 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? -4.190 13.540 34.814 1.00 31.33 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? -5.149 12.944 34.277 1.00 32.07 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? -3.438 12.987 35.644 1.00 32.01 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? -3.200 13.932 31.202 1.00 30.68 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? -2.166 13.389 30.323 1.00 30.78 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? -2.397 13.754 28.855 1.00 30.57 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? -1.562 13.460 27.994 1.00 30.44 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? -2.084 11.868 30.488 1.00 31.05 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? -1.520 11.407 31.834 1.00 31.99 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? -0.010 11.592 31.896 1.00 33.91 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 0.681 10.708 30.958 1.00 35.33 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 1.911 10.911 30.494 1.00 36.41 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 2.608 11.978 30.871 1.00 36.91 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 2.448 10.045 29.643 1.00 36.57 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? -3.526 14.410 28.589 1.00 30.43 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? -3.976 14.735 27.232 1.00 30.40 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? -2.956 15.475 26.366 1.00 30.48 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? -2.737 15.101 25.211 1.00 30.33 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? -5.295 15.500 27.282 1.00 30.35 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? -2.342 16.516 26.925 1.00 30.74 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? -1.386 17.343 26.188 1.00 31.13 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? -0.129 16.569 25.797 1.00 31.44 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 0.391 16.740 24.692 1.00 31.33 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? -1.021 18.589 26.993 1.00 31.14 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 0.340 15.731 26.695 1.00 31.96 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 1.509 14.930 26.476 1.00 32.53 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 1.242 13.863 25.422 1.00 32.27 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 2.043 13.657 24.577 1.00 32.28 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 1.962 14.269 27.776 1.00 32.97 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 2.883 15.103 28.619 1.00 34.76 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 2.764 16.467 28.736 1.00 36.22 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 3.926 14.754 29.406 1.00 36.10 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 3.688 16.924 29.555 1.00 36.78 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 4.408 15.904 29.975 1.00 36.83 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 0.112 13.191 25.504 1.00 32.04 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? -0.277 12.161 24.540 1.00 31.92 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? -0.385 12.768 23.142 1.00 32.11 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 0.086 12.180 22.166 1.00 32.02 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? -1.612 11.468 24.934 1.00 31.77 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? -2.100 10.536 23.827 1.00 31.63 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? -1.449 10.695 26.234 1.00 31.52 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? -0.989 13.952 23.062 1.00 32.56 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? -1.171 14.644 21.790 1.00 33.08 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 0.147 14.914 21.069 1.00 33.15 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 0.281 14.585 19.890 1.00 33.15 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? -1.951 15.945 21.977 1.00 33.27 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? -2.435 16.562 20.669 1.00 34.47 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? -3.006 17.958 20.839 1.00 35.95 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? -3.079 18.451 21.985 1.00 36.66 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? -3.385 18.568 19.816 1.00 36.73 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 1.118 15.498 21.770 1.00 33.35 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 2.383 15.862 21.126 1.00 33.58 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 3.215 14.650 20.682 1.00 33.34 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 3.873 14.704 19.640 1.00 33.32 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 3.201 16.855 21.973 1.00 33.79 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 4.153 16.258 23.008 1.00 35.09 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 5.194 17.265 23.490 1.00 36.76 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 4.932 18.470 23.554 1.00 37.37 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 6.381 16.774 23.832 1.00 37.15 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 3.175 13.565 21.455 1.00 33.11 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 3.880 12.337 21.079 1.00 32.92 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 3.268 11.738 19.813 1.00 32.97 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 3.989 11.378 18.881 1.00 32.94 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 3.891 11.286 22.224 1.00 32.85 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 4.315 9.908 21.703 1.00 32.70 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 4.828 11.726 23.344 1.00 32.81 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 1.939 11.652 19.788 1.00 33.12 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 1.219 11.076 18.655 1.00 33.42 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 1.419 11.845 17.358 1.00 33.68 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 1.640 11.237 16.308 1.00 33.60 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? -0.275 10.951 18.958 1.00 33.43 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? -0.755 9.675 19.652 1.00 33.58 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? -2.251 9.767 19.896 1.00 33.73 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? -0.429 8.430 18.829 1.00 33.81 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 1.335 13.173 17.429 1.00 34.14 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 1.564 14.012 16.253 1.00 34.72 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 2.936 13.715 15.647 1.00 35.06 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 3.078 13.654 14.426 1.00 35.15 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 1.428 15.503 16.593 1.00 34.70 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 0.041 16.038 16.977 1.00 34.96 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 0.108 17.531 17.287 1.00 35.22 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? -1.011 15.761 15.906 1.00 35.24 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 3.931 13.514 16.510 1.00 35.57 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 5.283 13.160 16.078 1.00 36.10 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 5.375 11.723 15.574 1.00 35.98 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 6.083 11.448 14.603 1.00 36.04 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 6.292 13.383 17.208 1.00 36.38 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 7.698 13.008 16.848 1.00 37.70 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 8.321 13.463 15.705 1.00 38.78 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 8.608 12.235 17.488 1.00 38.69 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 9.550 12.981 15.653 1.00 39.09 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 9.750 12.234 16.724 1.00 39.19 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 4.667 10.813 16.239 1.00 35.83 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 4.658 9.411 15.834 1.00 35.70 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 4.082 9.221 14.436 1.00 35.83 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 4.570 8.389 13.670 1.00 35.77 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 3.901 8.548 16.846 1.00 35.61 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 4.700 8.225 18.103 1.00 35.23 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 6.053 7.606 17.799 1.00 34.72 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 6.143 6.562 17.153 1.00 34.32 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 7.115 8.248 18.271 1.00 34.80 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 3.054 9.997 14.102 1.00 36.06 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 2.437 9.877 12.787 1.00 36.41 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 3.261 10.551 11.689 1.00 36.67 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 3.127 10.211 10.514 1.00 36.66 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 0.973 10.338 12.800 1.00 36.38 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 0.718 11.826 12.570 1.00 36.54 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? -0.773 12.122 12.425 1.00 36.82 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? -1.579 11.226 12.161 1.00 36.95 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? -1.146 13.385 12.600 1.00 36.82 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 4.111 11.503 12.072 1.00 37.07 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 5.042 12.119 11.127 1.00 37.47 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 6.040 11.069 10.649 1.00 37.70 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 6.508 11.109 9.510 1.00 37.78 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 5.764 13.292 11.775 1.00 37.51 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 6.340 10.122 11.535 1.00 37.94 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 7.272 9.037 11.254 1.00 38.21 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 6.605 7.829 10.595 1.00 38.63 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 7.142 7.274 9.635 1.00 38.65 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 7.978 8.592 12.540 1.00 38.06 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 8.921 9.564 13.258 1.00 37.88 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 9.284 9.018 14.632 1.00 37.44 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 10.180 9.830 12.439 1.00 37.67 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 5.441 7.429 11.105 1.00 39.27 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 4.811 6.175 10.673 1.00 40.00 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 3.438 6.315 10.007 1.00 40.83 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 2.807 5.307 9.677 1.00 40.76 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 4.740 5.187 11.845 1.00 39.82 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 6.044 5.023 12.574 1.00 39.43 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 7.117 4.373 11.969 1.00 39.01 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 6.205 5.527 13.860 1.00 39.10 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 8.330 4.224 12.635 1.00 38.91 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 7.416 5.381 14.535 1.00 38.94 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 8.479 4.728 13.921 1.00 38.75 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 2.986 7.548 9.794 1.00 41.99 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 1.689 7.792 9.158 1.00 43.67 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 1.658 7.513 7.664 1.00 44.95 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 2.590 6.916 7.111 1.00 44.85 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 0.580 7.961 7.017 1.00 46.42 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 0.338 7.721 5.586 1.00 47.97 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 1.500 8.089 4.656 1.00 48.81 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 1.863 7.310 3.769 1.00 48.99 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? -0.950 8.418 5.132 1.00 48.03 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? -1.256 8.243 3.653 1.00 48.61 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? -2.749 8.165 3.398 1.00 49.32 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? -3.032 7.539 2.041 1.00 49.71 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? -2.711 8.457 0.902 1.00 49.95 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 2.066 9.276 4.855 1.00 49.80 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 3.202 9.735 4.058 1.00 50.63 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 4.474 9.773 4.900 1.00 50.83 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 5.439 10.466 4.565 1.00 50.94 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 2.909 11.115 3.460 1.00 50.82 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 1.674 11.120 2.576 1.00 51.31 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 1.719 10.691 1.422 1.00 51.77 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 0.565 11.618 3.114 1.00 51.68 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 4.461 9.005 5.989 1.00 50.92 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 5.537 8.997 6.978 1.00 50.89 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 6.924 8.694 6.448 1.00 50.82 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 7.082 8.009 5.434 1.00 50.82 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 7.925 9.212 7.155 1.00 50.65 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 9.333 9.031 6.805 1.00 50.43 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 9.732 7.559 6.736 1.00 50.01 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 10.508 7.165 5.863 1.00 50.00 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 10.232 9.758 7.810 1.00 50.58 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 10.177 11.281 7.736 1.00 51.08 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 10.904 11.930 8.914 1.00 51.93 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 12.422 11.912 8.747 1.00 52.42 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 12.900 12.931 7.766 1.00 52.77 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 9.197 6.754 7.651 1.00 49.41 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 9.568 5.343 7.739 1.00 48.82 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 8.463 4.360 7.345 1.00 48.30 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 8.557 3.164 7.622 1.00 48.22 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 10.119 5.027 9.131 1.00 48.91 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 11.338 5.864 9.477 1.00 49.12 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 12.185 6.139 8.623 1.00 49.35 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 11.432 6.275 10.736 1.00 49.21 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 7.424 4.875 6.696 1.00 47.77 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 6.360 4.052 6.128 1.00 47.28 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 6.322 4.324 4.628 1.00 47.87 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 6.303 5.487 4.216 1.00 47.81 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 5.012 4.396 6.768 1.00 46.83 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 3.555 3.726 5.915 1.00 44.27 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 6.307 3.263 3.797 1.00 48.45 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 6.220 1.838 4.114 1.00 48.89 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 7.576 1.156 4.313 1.00 49.25 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 7.653 -0.079 4.297 1.00 49.35 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 5.501 1.254 2.886 1.00 48.92 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 5.586 2.323 1.800 1.00 48.78 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 6.381 3.474 2.341 1.00 48.50 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 8.623 1.959 4.514 1.00 49.50 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 9.993 1.457 4.647 1.00 49.56 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 10.153 0.485 5.813 1.00 49.08 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 10.511 -0.679 5.616 1.00 49.14 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 10.966 2.627 4.820 1.00 49.87 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 12.328 2.357 4.210 1.00 50.55 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 12.903 1.274 4.456 1.00 51.17 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 12.831 3.243 3.488 1.00 51.15 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 9.883 0.971 7.022 1.00 48.25 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 10.088 0.178 8.228 1.00 47.28 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 8.854 -0.139 9.068 1.00 46.23 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 8.766 -1.222 9.649 1.00 46.20 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 11.062 0.886 9.172 1.00 47.49 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 12.508 0.732 8.734 1.00 48.02 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 13.336 1.984 9.019 1.00 48.80 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 14.694 1.891 8.322 1.00 49.20 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 15.506 0.722 8.796 1.00 49.39 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 7.902 0.791 9.120 1.00 44.71 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 6.656 0.551 9.844 1.00 43.16 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 5.550 1.546 9.499 1.00 42.32 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 5.784 2.754 9.437 1.00 42.15 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 6.918 0.543 11.355 1.00 43.06 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 5.701 0.258 12.184 1.00 42.36 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 5.199 -1.037 12.291 1.00 41.83 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 5.058 1.286 12.865 1.00 41.68 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 4.069 -1.301 13.060 1.00 41.57 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 3.929 1.033 13.635 1.00 41.56 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 3.433 -0.264 13.733 1.00 41.42 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 4.348 1.018 9.283 1.00 41.26 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 3.166 1.834 9.036 1.00 40.37 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 2.154 1.631 10.153 1.00 39.58 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 1.643 0.526 10.355 1.00 39.40 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 2.540 1.492 7.684 1.00 40.55 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 3.641 1.730 6.281 1.00 41.46 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 1.878 2.715 10.872 1.00 38.81 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 0.957 2.714 12.003 1.00 38.30 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? -0.485 2.400 11.599 1.00 38.24 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? -1.246 1.835 12.388 1.00 38.01 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 1.023 4.073 12.709 1.00 38.16 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 0.374 4.252 14.083 1.00 37.97 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 0.865 3.206 15.072 1.00 37.67 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 0.634 5.655 14.613 1.00 37.88 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? -0.853 2.763 10.374 1.00 38.44 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? -2.232 2.606 9.918 1.00 38.87 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? -2.434 1.408 8.981 1.00 39.53 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? -3.396 1.367 8.212 1.00 39.60 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? -2.741 3.911 9.287 1.00 38.66 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? -2.566 5.125 10.169 1.00 38.18 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? -2.850 5.061 11.535 1.00 37.62 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? -2.133 6.335 9.634 1.00 37.82 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? -2.691 6.176 12.353 1.00 37.49 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? -1.974 7.460 10.445 1.00 37.67 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? -2.255 7.378 11.808 1.00 37.54 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? -1.530 0.433 9.061 1.00 40.45 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? -1.646 -0.799 8.280 1.00 41.41 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? -1.604 -2.033 9.168 1.00 41.93 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? -0.871 -2.069 10.160 1.00 41.97 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? -0.550 -0.884 7.211 1.00 41.46 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? -0.719 0.088 6.050 1.00 41.95 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? -2.070 -0.083 5.353 1.00 42.70 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? -2.393 1.114 4.473 1.00 43.20 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? -2.516 2.381 5.263 1.00 43.50 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? -2.400 -3.034 8.797 1.00 42.60 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? -2.472 -4.311 9.508 1.00 43.21 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? -3.324 -5.305 8.716 1.00 43.58 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? -4.039 -6.122 9.294 1.00 43.71 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? -3.035 -4.125 10.923 1.00 43.21 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? -4.326 -3.542 10.892 1.00 43.14 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? -3.234 -5.214 7.389 1.00 43.84 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? -3.965 -6.081 6.451 1.00 43.96 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? -5.467 -6.272 6.701 1.00 43.32 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? -5.933 -7.394 6.915 1.00 43.41 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? -3.277 -7.446 6.301 1.00 44.27 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? -1.926 -7.405 5.597 1.00 45.47 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? -0.751 -7.373 6.562 1.00 46.85 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 0.259 -6.708 6.247 1.00 47.40 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? -0.829 -8.017 7.631 1.00 47.32 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? -6.210 -5.166 6.664 1.00 42.25 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? -7.672 -5.148 6.866 1.00 40.96 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? -8.157 -5.619 8.245 1.00 39.55 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? -9.364 -5.732 8.475 1.00 39.53 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? -8.443 -5.893 5.732 1.00 41.17 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? -8.227 -7.306 5.843 1.00 41.41 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? -7.997 -5.414 4.353 1.00 41.27 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? -7.224 -5.890 9.156 1.00 37.56 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? -7.578 -6.303 10.512 1.00 35.48 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? -7.940 -5.143 11.435 1.00 33.60 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? -8.463 -5.362 12.530 1.00 33.35 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? -6.456 -7.137 11.138 1.00 35.80 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? -6.503 -8.627 10.809 1.00 36.56 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? -5.450 -9.030 9.782 1.00 37.81 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? -4.046 -9.137 10.419 1.00 38.36 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? -2.997 -9.316 9.365 1.00 38.83 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? -7.665 -3.918 10.987 1.00 31.30 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? -7.932 -2.710 11.770 1.00 29.14 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? -7.390 -2.811 13.198 1.00 27.75 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? -8.135 -2.650 14.168 1.00 27.39 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? -9.435 -2.389 11.791 1.00 29.13 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? -10.014 -2.171 10.402 1.00 29.02 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? -9.444 -1.453 9.580 1.00 28.93 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? -11.166 -2.782 10.140 1.00 28.91 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? -6.095 -3.092 13.318 1.00 26.16 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? -5.457 -3.241 14.625 1.00 24.95 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? -4.950 -1.893 15.130 1.00 24.19 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? -4.195 -1.213 14.434 1.00 23.96 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? -4.316 -4.265 14.562 1.00 24.90 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? -4.641 -5.684 14.075 1.00 24.92 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? -3.368 -6.503 13.909 1.00 24.79 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? -5.614 -6.399 15.012 1.00 24.85 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? -5.381 -1.519 16.337 1.00 23.46 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? -5.047 -0.231 16.978 1.00 22.96 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? -5.781 0.946 16.349 1.00 22.88 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? -6.367 1.773 17.053 1.00 22.72 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? -3.533 0.040 16.981 1.00 22.84 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? -2.572 -0.983 17.592 1.00 22.75 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? -1.161 -0.412 17.608 1.00 22.72 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? -2.998 -1.387 18.997 1.00 22.58 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? -5.723 1.016 15.023 1.00 22.83 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? -6.387 2.046 14.240 1.00 23.03 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? -7.045 1.381 13.047 1.00 23.31 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? -6.662 0.273 12.660 1.00 23.23 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? -5.373 3.084 13.748 1.00 22.96 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? -4.619 3.760 14.851 1.00 23.02 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? -5.191 4.816 15.554 1.00 23.10 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? -3.341 3.336 15.198 1.00 22.96 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? -4.501 5.442 16.584 1.00 22.92 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? -2.642 3.955 16.228 1.00 23.18 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? -3.223 5.012 16.921 1.00 22.97 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? -8.038 2.051 12.469 1.00 23.78 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? -8.644 1.580 11.230 1.00 24.48 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? -7.651 1.692 10.089 1.00 25.14 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? -6.913 2.677 9.996 1.00 25.03 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? -9.909 2.372 10.905 1.00 24.30 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? -11.101 1.918 11.715 1.00 24.15 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? -11.360 0.720 11.841 1.00 23.74 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? -11.840 2.874 12.267 1.00 23.82 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? -7.633 0.681 9.226 1.00 26.15 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? -6.703 0.647 8.097 1.00 27.31 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? -6.928 1.751 7.061 1.00 27.88 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? -6.017 2.075 6.296 1.00 27.99 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? -6.718 -0.729 7.428 1.00 27.49 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? -6.045 -1.795 8.275 1.00 28.32 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? -5.828 -1.565 9.483 1.00 29.32 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? -5.723 -2.868 7.730 1.00 29.50 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? -8.125 2.328 7.034 1.00 28.72 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? -8.412 3.413 6.094 1.00 29.63 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? -8.103 4.810 6.645 1.00 30.11 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? -8.467 5.817 6.033 1.00 30.25 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? -9.859 3.333 5.593 1.00 29.68 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? -10.881 3.650 6.675 1.00 30.08 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? -10.549 3.780 7.856 1.00 30.57 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? -12.139 3.773 6.272 1.00 30.28 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? -7.438 4.866 7.799 1.00 30.68 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? -7.067 6.136 8.424 1.00 31.19 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? -5.953 6.829 7.647 1.00 31.66 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? -4.879 6.260 7.445 1.00 31.60 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? -6.604 5.946 9.889 1.00 31.17 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? -7.646 5.325 10.650 1.00 31.22 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? -6.249 7.286 10.529 1.00 31.12 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? -6.213 8.061 7.220 1.00 32.34 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? -5.204 8.862 6.543 1.00 33.09 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? -4.284 9.526 7.561 1.00 33.11 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? -3.064 9.569 7.375 1.00 33.16 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? -5.867 9.908 5.649 1.00 33.35 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? -4.891 10.862 4.971 1.00 34.87 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? -5.576 11.795 3.995 1.00 36.67 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? -6.706 12.247 4.280 1.00 37.40 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? -4.978 12.081 2.936 1.00 37.49 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? -4.879 10.036 8.636 1.00 33.16 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? -4.135 10.702 9.694 1.00 33.23 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? -5.000 10.844 10.936 1.00 32.63 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? -6.220 10.661 10.887 1.00 32.56 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? -3.671 12.092 9.238 1.00 33.66 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? -4.958 13.365 9.291 1.00 35.90 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? -4.351 11.166 12.048 1.00 32.10 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? -5.046 11.560 13.260 1.00 31.66 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? -5.120 13.081 13.237 1.00 31.59 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? -4.101 13.751 13.051 1.00 31.47 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? -4.286 11.065 14.494 1.00 31.55 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? -4.132 9.548 14.650 1.00 31.28 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? -3.063 9.221 15.681 1.00 31.25 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? -5.462 8.885 15.013 1.00 30.94 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? -6.322 13.623 13.402 1.00 31.63 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? -6.530 15.063 13.282 1.00 31.87 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? -6.805 15.733 14.623 1.00 32.12 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? -7.376 15.121 15.529 1.00 32.02 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? -7.657 15.353 12.299 1.00 31.77 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? -6.392 16.994 14.736 1.00 32.55 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? -6.675 17.804 15.920 1.00 33.05 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? -8.168 18.088 15.995 1.00 33.23 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? -8.857 18.101 14.973 1.00 33.29 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? -5.891 19.118 15.885 1.00 33.10 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? -4.382 18.949 15.820 1.00 33.76 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? -3.668 20.265 16.085 1.00 35.03 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? -2.198 20.162 15.703 1.00 35.74 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? -1.406 21.313 16.240 1.00 36.40 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? -8.662 18.321 17.206 1.00 33.58 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? -10.088 18.524 17.422 1.00 33.99 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? -10.429 19.989 17.647 1.00 34.41 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? -9.983 20.599 18.623 1.00 34.61 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? -10.576 17.667 18.592 1.00 33.83 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? -10.338 16.162 18.439 1.00 33.77 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? -10.757 15.420 19.694 1.00 33.70 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? -11.074 15.619 17.222 1.00 33.40 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? -11.219 20.545 16.733 1.00 34.75 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? -11.648 21.936 16.821 1.00 35.08 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? -12.491 22.206 18.051 1.00 35.24 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? -13.402 21.439 18.374 1.00 35.40 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? -12.171 23.297 18.743 1.00 35.17 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? -12.935 23.734 19.909 1.00 34.85 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? -12.773 22.901 21.165 1.00 34.53 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? -13.712 22.807 21.955 1.00 34.58 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? -11.590 22.312 21.357 1.00 34.02 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? -11.297 21.477 22.532 1.00 33.45 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? -12.387 20.646 23.222 1.00 32.25 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? -12.475 20.628 24.454 1.00 32.16 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? -10.497 22.270 23.569 1.00 33.90 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? -9.051 22.466 23.170 1.00 35.59 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? -8.275 23.271 24.188 1.00 38.46 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? -6.842 23.172 23.924 1.00 40.68 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? -5.989 22.447 24.643 1.00 41.80 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? -6.408 21.758 25.701 1.00 42.21 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? -4.705 22.422 24.308 1.00 42.36 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? -13.220 19.955 22.422 1.00 31.08 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? -14.508 19.430 22.861 1.00 30.17 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? -14.404 18.453 24.025 1.00 29.30 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? -13.393 17.762 24.185 1.00 29.13 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? -15.026 18.709 21.611 1.00 30.18 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? -13.795 18.241 20.927 1.00 30.54 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? -12.769 19.317 21.170 1.00 31.02 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? -15.458 18.422 24.834 1.00 28.45 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? -15.628 17.394 25.849 1.00 27.71 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? -16.079 16.153 25.084 1.00 27.54 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? -16.276 16.220 23.867 1.00 27.14 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? -16.695 17.803 26.873 1.00 27.72 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? -17.957 17.958 26.210 1.00 27.37 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? -16.315 19.119 27.561 1.00 27.56 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? -16.249 15.025 25.765 1.00 27.48 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? -16.694 13.826 25.060 1.00 27.78 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? -18.129 13.975 24.537 1.00 27.96 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? -18.474 13.404 23.502 1.00 27.84 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? -16.553 12.581 25.937 1.00 27.74 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? -17.666 12.415 26.938 1.00 28.08 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? -18.771 11.616 26.648 1.00 28.33 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? -17.623 13.064 28.171 1.00 28.19 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? -19.803 11.463 27.563 1.00 28.77 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? -18.650 12.915 29.093 1.00 28.37 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? -19.734 12.113 28.782 1.00 28.65 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? -20.755 11.961 29.689 1.00 29.41 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? -18.952 14.741 25.254 1.00 28.34 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? -20.346 14.969 24.864 1.00 28.86 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? -20.457 15.806 23.601 1.00 28.61 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? -21.311 15.545 22.748 1.00 28.52 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? -21.127 15.646 25.990 1.00 29.17 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? -21.607 14.701 27.078 1.00 31.00 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? -22.354 15.422 28.187 1.00 33.24 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? -22.006 16.583 28.496 1.00 34.06 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? -23.290 14.821 28.756 1.00 34.28 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? -19.596 16.811 23.482 1.00 26.82 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? -19.601 17.691 22.319 1.00 27.09 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? -19.151 16.951 21.063 1.00 26.98 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? -19.716 17.137 19.986 1.00 26.28 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? -18.705 18.907 22.563 1.00 26.28 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? -19.244 19.876 23.602 1.00 27.51 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? -18.294 21.027 23.873 1.00 29.33 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? -17.133 20.765 24.250 1.00 30.45 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? -18.710 22.193 23.708 1.00 34.84 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? -18.131 16.112 21.210 1.00 27.32 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? -17.602 15.345 20.089 1.00 25.61 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? -18.666 14.426 19.498 1.00 26.02 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? -19.094 14.608 18.359 1.00 26.39 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? -16.384 14.528 20.525 1.00 26.76 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? -15.773 13.701 19.417 1.00 25.88 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? -14.983 14.291 18.439 1.00 28.40 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? -15.984 12.331 19.348 1.00 23.87 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? -14.422 13.540 17.424 1.00 27.95 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? -15.427 11.571 18.337 1.00 23.05 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? -14.647 12.180 17.378 1.00 26.56 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? -14.090 11.428 16.369 1.00 25.02 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? -19.088 13.438 20.281 1.00 26.86 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? -20.100 12.487 19.836 1.00 28.55 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? -21.396 13.196 19.457 1.00 30.30 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? -22.224 12.649 18.729 1.00 29.78 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? -20.370 11.445 20.923 1.00 27.15 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? -19.149 10.698 21.465 1.00 26.84 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? -19.511 9.915 22.718 1.00 25.29 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? -18.566 9.779 20.403 1.00 23.38 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? -21.564 14.417 19.954 1.00 31.09 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? -22.753 15.198 19.671 1.00 32.99 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? -23.896 14.875 20.613 1.00 34.15 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? -23.876 13.854 21.301 1.00 32.73 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? -24.897 15.749 20.644 1.00 35.75 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? -26.040 15.559 21.497 1.00 36.93 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? -27.044 14.599 20.876 1.00 37.51 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? -27.724 13.931 21.577 1.00 37.67 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? -26.654 16.890 21.942 1.00 36.95 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? -27.755 16.629 22.801 1.00 37.30 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? -27.119 17.649 20.779 1.00 37.12 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? -27.048 14.494 19.561 1.00 38.25 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? -27.867 13.527 18.843 1.00 38.94 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? -27.493 12.101 19.246 1.00 38.93 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? -28.341 11.346 19.728 1.00 39.02 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? -27.712 13.720 17.334 1.00 39.17 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? -28.805 13.057 16.503 1.00 40.46 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? -28.431 12.932 15.035 1.00 41.91 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? -27.284 13.273 14.668 1.00 42.47 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? -29.287 12.483 14.244 1.00 42.51 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? -26.222 11.747 19.059 1.00 38.89 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? -25.737 10.410 19.388 1.00 38.80 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? -25.797 10.111 20.887 1.00 39.18 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? -26.178 9.008 21.284 1.00 39.09 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? -24.317 10.197 18.849 1.00 38.49 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? -23.759 8.810 19.097 1.00 37.54 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? -24.545 7.672 18.906 1.00 36.82 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? -22.437 8.634 19.502 1.00 36.69 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? -24.038 6.401 19.134 1.00 36.11 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? -21.915 7.359 19.723 1.00 36.09 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? -22.724 6.249 19.535 1.00 35.83 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? -22.225 4.987 19.757 1.00 35.35 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? -25.429 11.092 21.709 1.00 39.77 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? -25.412 10.920 23.167 1.00 40.41 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? -26.789 10.541 23.721 1.00 40.97 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? -26.891 9.679 24.598 1.00 41.03 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? -24.868 12.182 23.898 1.00 40.35 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? -24.991 12.039 25.414 1.00 40.38 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? -23.416 12.435 23.525 1.00 40.27 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? -27.838 11.175 23.203 1.00 41.71 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? -29.199 10.906 23.668 1.00 42.42 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? -29.656 9.496 23.292 1.00 42.78 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? -30.363 8.843 24.065 1.00 42.82 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? -30.205 11.950 23.141 1.00 42.43 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? -29.664 13.265 23.311 1.00 42.61 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? -31.524 11.861 23.900 1.00 42.53 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? -29.246 9.030 22.114 1.00 43.24 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? -29.564 7.675 21.666 1.00 43.67 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? -29.009 6.631 22.635 1.00 44.01 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? -29.715 5.694 23.019 1.00 43.97 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? -29.035 7.439 20.257 1.00 43.61 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? -27.749 6.815 23.033 1.00 44.50 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? -27.058 5.901 23.946 1.00 45.02 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? -27.713 5.845 25.326 1.00 45.37 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? -27.881 4.761 25.892 1.00 45.46 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? -25.568 6.281 24.119 1.00 44.99 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? -24.857 6.345 22.761 1.00 45.03 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? -24.857 5.279 25.028 1.00 44.98 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? -23.554 7.119 22.806 1.00 45.26 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? -28.073 7.011 25.861 1.00 45.79 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? -28.697 7.099 27.181 1.00 46.14 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? -30.015 6.331 27.228 1.00 46.38 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? -30.284 5.606 28.189 1.00 46.43 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? -28.909 8.554 27.575 1.00 46.12 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? -30.823 6.491 26.182 1.00 46.64 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -32.111 5.811 26.070 1.00 46.88 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -31.986 4.296 25.966 1.00 46.87 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -32.764 3.563 26.580 1.00 46.86 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -32.899 6.353 24.878 1.00 47.02 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -33.604 7.655 25.190 1.00 47.39 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -34.555 7.689 25.971 1.00 47.86 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -33.146 8.737 24.572 1.00 47.83 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? -31.014 3.835 25.182 1.00 46.86 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? -30.756 2.406 25.035 1.00 46.94 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? -30.241 1.820 26.344 1.00 47.34 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? -30.566 0.685 26.697 1.00 47.25 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? -29.758 2.146 23.899 1.00 46.71 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? -29.215 0.722 23.701 1.00 46.34 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? -30.324 -0.286 23.397 1.00 45.94 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? -28.164 0.704 22.604 1.00 46.07 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? -29.449 2.609 27.065 1.00 48.08 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? -28.862 2.170 28.327 1.00 48.95 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? -29.840 2.147 29.505 1.00 49.63 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? -29.483 1.691 30.592 1.00 49.71 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? -27.623 3.002 28.663 1.00 48.89 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? -26.322 2.302 28.320 1.00 48.95 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? -25.236 3.304 27.936 1.00 49.00 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? -23.840 2.712 28.135 1.00 49.07 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? -23.602 1.425 27.349 1.00 49.02 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? -31.061 2.637 29.291 1.00 50.53 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -32.125 2.537 30.296 1.00 51.43 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -32.559 1.081 30.440 1.00 51.86 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -33.022 0.654 31.501 1.00 51.93 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -33.333 3.378 29.887 1.00 51.52 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -33.134 4.878 29.975 1.00 52.10 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -34.278 5.603 29.277 1.00 53.06 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -34.387 7.056 29.720 1.00 53.56 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -33.160 7.860 29.361 1.00 53.92 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -32.407 0.339 29.345 1.00 52.40 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -32.772 -1.070 29.264 1.00 52.90 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -31.789 -1.978 29.993 1.00 53.44 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -32.166 -3.051 30.472 1.00 53.53 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -32.867 -1.502 27.798 1.00 52.74 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -34.281 -0.801 26.915 1.00 52.13 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? -30.532 -1.547 30.067 1.00 54.02 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? -29.467 -2.351 30.656 1.00 54.49 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? -28.339 -1.470 31.184 1.00 54.66 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? -28.566 -0.578 32.007 1.00 54.81 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? -28.928 -3.345 29.621 1.00 54.56 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? -27.702 -3.933 30.050 1.00 54.71 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? -28.617 8.482 35.065 1.00 76.79 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? -28.089 9.679 34.420 1.00 76.68 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? -26.616 9.931 34.750 1.00 76.28 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? -25.876 10.450 33.904 1.00 76.32 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? -28.897 10.920 34.821 1.00 76.86 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? -30.385 11.085 34.487 1.00 77.09 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? -31.050 12.015 35.501 1.00 77.21 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? -30.590 11.599 33.068 1.00 77.20 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? -26.187 9.561 35.964 1.00 75.47 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? -24.901 10.076 36.489 1.00 74.47 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? -23.950 9.093 37.217 1.00 73.31 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? -23.912 9.080 38.453 1.00 73.30 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? -25.172 11.286 37.404 1.00 74.72 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? -26.284 11.076 38.450 1.00 75.21 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? -27.568 11.822 38.117 1.00 75.76 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? -27.537 13.084 38.102 1.00 75.88 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? -28.614 11.150 37.891 1.00 75.85 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? -23.164 8.302 36.475 1.00 71.56 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? -22.157 7.413 37.108 1.00 69.64 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? -21.169 6.796 36.105 1.00 68.08 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? -21.549 6.444 34.986 1.00 68.00 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? -22.840 6.381 38.020 1.00 69.82 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? -19.909 6.657 36.526 1.00 65.91 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? -18.903 5.853 35.818 1.00 63.50 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? -19.164 4.375 36.106 1.00 64.03 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? -19.388 3.989 37.257 1.00 63.99 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? -17.481 6.265 36.234 1.00 62.20 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? -16.119 5.135 35.762 1.00 55.01 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? -19.133 3.557 35.057 1.00 64.24 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? -19.544 2.151 35.147 1.00 64.51 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? -18.502 1.206 35.760 1.00 64.66 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? -18.559 -0.007 35.536 1.00 64.70 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? -19.979 1.647 33.771 1.00 64.51 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? -17.567 1.747 36.537 1.00 64.79 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? -16.523 0.923 37.149 1.00 64.87 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? -16.320 1.223 38.633 1.00 64.91 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? -16.022 2.354 39.017 1.00 64.96 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? -15.203 1.061 36.382 1.00 64.85 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? -15.284 0.613 34.947 1.00 64.75 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? -15.515 -0.725 34.633 1.00 64.66 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? -15.125 1.526 33.909 1.00 64.58 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? -15.594 -1.144 33.308 1.00 64.58 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? -15.199 1.116 32.580 1.00 64.47 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? -15.434 -0.222 32.280 1.00 64.51 ? 686 PHE A CZ 1 HETATM 2605 ZN ZN . ZN B 2 . ? -16.967 23.187 24.319 1.00 32.73 ? 81 ZN A ZN 1 HETATM 2606 ZN ZN . ZN C 2 . ? -28.583 10.610 7.317 1.00 37.61 ? 82 ZN A ZN 1 HETATM 2607 FE FE . FE D 3 . ? -17.203 2.334 15.046 1.00 21.29 ? 84 FE A FE 1 HETATM 2608 C C . CO3 E 4 . ? -18.559 0.289 15.359 1.00 19.89 ? 85 CO3 A C 1 HETATM 2609 O O1 . CO3 E 4 . ? -17.276 0.257 15.585 1.00 20.16 ? 85 CO3 A O1 1 HETATM 2610 O O2 . CO3 E 4 . ? -19.123 1.411 15.027 1.00 20.08 ? 85 CO3 A O2 1 HETATM 2611 O O3 . CO3 E 4 . ? -19.277 -0.786 15.457 1.00 19.53 ? 85 CO3 A O3 1 HETATM 2612 S S . SO4 F 5 . ? -33.063 -6.332 -4.773 1.00 57.02 ? 692 SO4 A S 1 HETATM 2613 O O1 . SO4 F 5 . ? -31.764 -6.957 -5.006 1.00 57.04 ? 692 SO4 A O1 1 HETATM 2614 O O2 . SO4 F 5 . ? -33.906 -6.508 -5.952 1.00 56.95 ? 692 SO4 A O2 1 HETATM 2615 O O3 . SO4 F 5 . ? -33.706 -6.958 -3.622 1.00 57.06 ? 692 SO4 A O3 1 HETATM 2616 O O4 . SO4 F 5 . ? -32.876 -4.906 -4.515 1.00 56.98 ? 692 SO4 A O4 1 HETATM 2617 C C1 . NAG G 6 . ? 12.533 10.170 20.600 1.00 57.93 ? 1 NAG A C1 1 HETATM 2618 C C2 . NAG G 6 . ? 12.227 10.358 19.120 1.00 57.66 ? 1 NAG A C2 1 HETATM 2619 C C3 . NAG G 6 . ? 13.030 11.577 18.689 1.00 58.03 ? 1 NAG A C3 1 HETATM 2620 C C4 . NAG G 6 . ? 12.721 12.795 19.571 1.00 58.35 ? 1 NAG A C4 1 HETATM 2621 C C5 . NAG G 6 . ? 12.433 12.489 21.055 1.00 58.46 ? 1 NAG A C5 1 HETATM 2622 C C6 . NAG G 6 . ? 11.517 13.556 21.659 1.00 58.60 ? 1 NAG A C6 1 HETATM 2623 C C7 . NAG G 6 . ? 11.599 8.372 17.778 1.00 56.37 ? 1 NAG A C7 1 HETATM 2624 C C8 . NAG G 6 . ? 12.131 7.194 17.013 1.00 56.13 ? 1 NAG A C8 1 HETATM 2625 N N2 . NAG G 6 . ? 12.526 9.163 18.341 1.00 56.93 ? 1 NAG A N2 1 HETATM 2626 O O3 . NAG G 6 . ? 12.729 11.894 17.349 1.00 58.10 ? 1 NAG A O3 1 HETATM 2627 O O4 . NAG G 6 . ? 13.801 13.700 19.491 1.00 58.52 ? 1 NAG A O4 1 HETATM 2628 O O5 . NAG G 6 . ? 11.849 11.211 21.268 1.00 58.34 ? 1 NAG A O5 1 HETATM 2629 O O6 . NAG G 6 . ? 10.476 13.893 20.760 1.00 58.70 ? 1 NAG A O6 1 HETATM 2630 O O7 . NAG G 6 . ? 10.380 8.557 17.855 1.00 55.98 ? 1 NAG A O7 1 HETATM 2631 C C1 . NAG H 6 . ? -35.270 6.459 20.495 1.00 52.73 ? 3 NAG A C1 1 HETATM 2632 C C2 . NAG H 6 . ? -34.282 7.286 19.706 1.00 52.44 ? 3 NAG A C2 1 HETATM 2633 C C3 . NAG H 6 . ? -33.827 8.547 20.457 1.00 53.69 ? 3 NAG A C3 1 HETATM 2634 C C4 . NAG H 6 . ? -35.015 9.367 20.907 1.00 55.27 ? 3 NAG A C4 1 HETATM 2635 C C5 . NAG H 6 . ? -35.877 8.440 21.717 1.00 54.52 ? 3 NAG A C5 1 HETATM 2636 C C6 . NAG H 6 . ? -37.123 9.195 22.153 1.00 54.53 ? 3 NAG A C6 1 HETATM 2637 C C7 . NAG H 6 . ? -32.733 6.375 18.195 1.00 50.30 ? 3 NAG A C7 1 HETATM 2638 C C8 . NAG H 6 . ? -31.538 5.539 17.956 1.00 49.98 ? 3 NAG A C8 1 HETATM 2639 N N2 . NAG H 6 . ? -33.203 6.433 19.408 1.00 50.95 ? 3 NAG A N2 1 HETATM 2640 O O3 . NAG H 6 . ? -33.000 9.372 19.692 1.00 53.48 ? 3 NAG A O3 1 HETATM 2641 O O4 . NAG H 6 . ? -34.602 10.390 21.775 1.00 58.58 ? 3 NAG A O4 1 HETATM 2642 O O5 . NAG H 6 . ? -36.258 7.310 20.989 1.00 53.64 ? 3 NAG A O5 1 HETATM 2643 O O6 . NAG H 6 . ? -37.633 10.001 21.117 1.00 54.56 ? 3 NAG A O6 1 HETATM 2644 O O7 . NAG H 6 . ? -33.216 6.968 17.274 1.00 50.04 ? 3 NAG A O7 1 HETATM 2645 C C1 . NAG I 6 . ? -34.889 11.760 21.411 1.00 61.79 ? 4 NAG A C1 1 HETATM 2646 C C2 . NAG I 6 . ? -34.951 12.654 22.646 1.00 63.25 ? 4 NAG A C2 1 HETATM 2647 C C3 . NAG I 6 . ? -35.231 14.120 22.311 1.00 64.67 ? 4 NAG A C3 1 HETATM 2648 C C4 . NAG I 6 . ? -34.535 14.673 21.059 1.00 65.84 ? 4 NAG A C4 1 HETATM 2649 C C5 . NAG I 6 . ? -34.345 13.610 19.956 1.00 64.70 ? 4 NAG A C5 1 HETATM 2650 C C6 . NAG I 6 . ? -33.247 14.012 18.968 1.00 64.59 ? 4 NAG A C6 1 HETATM 2651 C C7 . NAG I 6 . ? -35.753 11.753 24.804 1.00 63.57 ? 4 NAG A C7 1 HETATM 2652 C C8 . NAG I 6 . ? -36.962 11.298 25.568 1.00 63.63 ? 4 NAG A C8 1 HETATM 2653 N N2 . NAG I 6 . ? -35.980 12.172 23.556 1.00 63.40 ? 4 NAG A N2 1 HETATM 2654 O O3 . NAG I 6 . ? -34.873 14.906 23.428 1.00 64.68 ? 4 NAG A O3 1 HETATM 2655 O O4 . NAG I 6 . ? -35.383 15.716 20.594 1.00 68.82 ? 4 NAG A O4 1 HETATM 2656 O O5 . NAG I 6 . ? -34.010 12.316 20.452 1.00 63.13 ? 4 NAG A O5 1 HETATM 2657 O O6 . NAG I 6 . ? -31.970 13.697 19.485 1.00 64.56 ? 4 NAG A O6 1 HETATM 2658 O O7 . NAG I 6 . ? -34.643 11.723 25.337 1.00 63.64 ? 4 NAG A O7 1 HETATM 2659 C C1 . BMA J 7 . ? -34.818 17.022 20.553 1.00 71.48 ? 5 BMA A C1 1 HETATM 2660 C C2 . BMA J 7 . ? -34.917 17.640 21.898 1.00 72.48 ? 5 BMA A C2 1 HETATM 2661 C C3 . BMA J 7 . ? -34.749 19.132 21.783 1.00 72.65 ? 5 BMA A C3 1 HETATM 2662 C C4 . BMA J 7 . ? -33.580 19.467 20.868 1.00 73.14 ? 5 BMA A C4 1 HETATM 2663 C C5 . BMA J 7 . ? -33.681 18.752 19.552 1.00 73.23 ? 5 BMA A C5 1 HETATM 2664 C C6 . BMA J 7 . ? -32.536 19.172 18.655 1.00 73.44 ? 5 BMA A C6 1 HETATM 2665 O O2 . BMA J 7 . ? -33.895 17.084 22.664 1.00 73.61 ? 5 BMA A O2 1 HETATM 2666 O O3 . BMA J 7 . ? -34.570 19.625 23.073 1.00 73.39 ? 5 BMA A O3 1 HETATM 2667 O O4 . BMA J 7 . ? -33.644 20.802 20.522 1.00 73.68 ? 5 BMA A O4 1 HETATM 2668 O O5 . BMA J 7 . ? -33.702 17.373 19.796 1.00 73.89 ? 5 BMA A O5 1 HETATM 2669 O O6 . BMA J 7 . ? -32.895 18.859 17.346 1.00 72.51 ? 5 BMA A O6 1 HETATM 2670 C C1 . NAG K 6 . ? -18.136 4.657 1.612 1.00 39.84 ? 8 NAG A C1 1 HETATM 2671 C C2 . NAG K 6 . ? -18.146 6.000 0.883 1.00 40.32 ? 8 NAG A C2 1 HETATM 2672 C C3 . NAG K 6 . ? -17.301 5.945 -0.405 1.00 41.11 ? 8 NAG A C3 1 HETATM 2673 C C4 . NAG K 6 . ? -15.929 5.316 -0.151 1.00 42.00 ? 8 NAG A C4 1 HETATM 2674 C C5 . NAG K 6 . ? -16.077 4.022 0.650 1.00 40.61 ? 8 NAG A C5 1 HETATM 2675 C C6 . NAG K 6 . ? -14.675 3.439 0.960 1.00 39.95 ? 8 NAG A C6 1 HETATM 2676 C C7 . NAG K 6 . ? -20.094 7.350 1.218 1.00 39.83 ? 8 NAG A C7 1 HETATM 2677 C C8 . NAG K 6 . ? -21.431 7.712 0.723 1.00 39.67 ? 8 NAG A C8 1 HETATM 2678 N N2 . NAG K 6 . ? -19.496 6.378 0.565 1.00 39.85 ? 8 NAG A N2 1 HETATM 2679 O O3 . NAG K 6 . ? -17.096 7.253 -0.929 1.00 41.22 ? 8 NAG A O3 1 HETATM 2680 O O4 . NAG K 6 . ? -15.259 5.049 -1.403 1.00 45.01 ? 8 NAG A O4 1 HETATM 2681 O O5 . NAG K 6 . ? -16.793 4.276 1.854 1.00 39.72 ? 8 NAG A O5 1 HETATM 2682 O O6 . NAG K 6 . ? -14.171 4.032 2.135 1.00 39.46 ? 8 NAG A O6 1 HETATM 2683 O O7 . NAG K 6 . ? -19.580 7.939 2.167 1.00 40.07 ? 8 NAG A O7 1 HETATM 2684 C C1 . NAG L 6 . ? -13.956 5.697 -1.425 1.00 47.94 ? 9 NAG A C1 1 HETATM 2685 C C2 . NAG L 6 . ? -13.008 4.929 -2.365 1.00 49.21 ? 9 NAG A C2 1 HETATM 2686 C C3 . NAG L 6 . ? -11.767 5.736 -2.750 1.00 50.00 ? 9 NAG A C3 1 HETATM 2687 C C4 . NAG L 6 . ? -12.137 7.161 -3.140 1.00 50.25 ? 9 NAG A C4 1 HETATM 2688 C C5 . NAG L 6 . ? -12.843 7.795 -1.945 1.00 49.99 ? 9 NAG A C5 1 HETATM 2689 C C6 . NAG L 6 . ? -13.144 9.272 -2.185 1.00 50.13 ? 9 NAG A C6 1 HETATM 2690 C C7 . NAG L 6 . ? -12.772 2.458 -2.324 1.00 49.97 ? 9 NAG A C7 1 HETATM 2691 C C8 . NAG L 6 . ? -12.199 1.297 -1.560 1.00 50.06 ? 9 NAG A C8 1 HETATM 2692 N N2 . NAG L 6 . ? -12.553 3.667 -1.791 1.00 49.73 ? 9 NAG A N2 1 HETATM 2693 O O3 . NAG L 6 . ? -11.092 5.102 -3.814 1.00 50.18 ? 9 NAG A O3 1 HETATM 2694 O O4 . NAG L 6 . ? -10.980 7.887 -3.502 1.00 50.64 ? 9 NAG A O4 1 HETATM 2695 O O5 . NAG L 6 . ? -14.053 7.089 -1.714 1.00 49.08 ? 9 NAG A O5 1 HETATM 2696 O O6 . NAG L 6 . ? -14.105 9.731 -1.259 1.00 50.29 ? 9 NAG A O6 1 HETATM 2697 O O7 . NAG L 6 . ? -13.408 2.258 -3.365 1.00 50.04 ? 9 NAG A O7 1 HETATM 2698 C C1 . LTC M 8 . ? -18.701 18.860 8.780 0.80 51.60 ? 172 LTC A C1 1 HETATM 2699 O O1 . LTC M 8 . ? -19.786 19.619 8.139 0.80 52.79 ? 172 LTC A O1 1 HETATM 2700 C C2 . LTC M 8 . ? -19.193 17.744 9.729 0.80 52.08 ? 172 LTC A C2 1 HETATM 2701 O O2 . LTC M 8 . ? -21.076 17.097 11.338 0.80 52.77 ? 172 LTC A O2 1 HETATM 2702 C C3 . LTC M 8 . ? -20.396 18.162 10.594 0.80 52.35 ? 172 LTC A C3 1 HETATM 2703 O O3 . LTC M 8 . ? -22.585 19.277 10.555 0.80 53.97 ? 172 LTC A O3 1 HETATM 2704 C C4 . LTC M 8 . ? -21.427 18.928 9.740 0.80 51.56 ? 172 LTC A C4 1 HETATM 2705 O O4 . LTC M 8 . ? -18.136 17.565 10.676 0.80 54.82 ? 172 LTC A O4 1 HETATM 2706 C C5 . LTC M 8 . ? -20.784 20.143 9.028 0.80 51.43 ? 172 LTC A C5 1 HETATM 2707 O O5 . LTC M 8 . ? -17.968 18.981 6.411 0.80 51.68 ? 172 LTC A O5 1 HETATM 2708 C C7 . LTC M 8 . ? -17.682 18.390 7.721 0.80 53.60 ? 172 LTC A C7 1 HETATM 2709 O O9 . LTC M 8 . ? -16.295 21.182 12.907 0.80 43.44 ? 172 LTC A O9 1 HETATM 2710 O O10 . LTC M 8 . ? -17.818 20.901 11.190 0.80 47.23 ? 172 LTC A O10 1 HETATM 2711 C C11 . LTC M 8 . ? -26.377 21.634 18.283 0.80 46.89 ? 172 LTC A C11 1 HETATM 2712 O O11 . LTC M 8 . ? -20.166 21.028 9.980 0.80 49.84 ? 172 LTC A O11 1 HETATM 2713 C C12 . LTC M 8 . ? -26.017 20.324 18.953 0.80 45.95 ? 172 LTC A C12 1 HETATM 2714 O O12 . LTC M 8 . ? -15.739 22.568 9.569 0.80 50.61 ? 172 LTC A O12 1 HETATM 2715 C C13 . LTC M 8 . ? -24.599 19.896 18.533 0.80 46.95 ? 172 LTC A C13 1 HETATM 2716 O O13 . LTC M 8 . ? -14.493 23.508 7.879 0.80 52.74 ? 172 LTC A O13 1 HETATM 2717 C C14 . LTC M 8 . ? -24.213 18.488 19.021 0.80 44.23 ? 172 LTC A C14 1 HETATM 2718 C C15 . LTC M 8 . ? -23.306 18.500 20.251 0.80 41.49 ? 172 LTC A C15 1 HETATM 2719 C C16 . LTC M 8 . ? -22.127 19.480 20.208 0.80 38.72 ? 172 LTC A C16 1 HETATM 2720 C C17 . LTC M 8 . ? -21.136 19.144 19.105 0.80 33.82 ? 172 LTC A C17 1 HETATM 2721 C C18 . LTC M 8 . ? -20.045 20.194 19.132 0.80 35.88 ? 172 LTC A C18 1 HETATM 2722 C C19 . LTC M 8 . ? -19.000 20.051 18.021 0.80 39.00 ? 172 LTC A C19 1 HETATM 2723 C C20 . LTC M 8 . ? -19.649 20.036 16.642 0.80 40.75 ? 172 LTC A C20 1 HETATM 2724 C C21 . LTC M 8 . ? -19.658 21.403 15.952 0.80 41.46 ? 172 LTC A C21 1 HETATM 2725 C C22 . LTC M 8 . ? -20.541 21.400 14.700 0.80 39.25 ? 172 LTC A C22 1 HETATM 2726 C C23 . LTC M 8 . ? -19.759 21.427 13.373 0.80 43.15 ? 172 LTC A C23 1 HETATM 2727 C C24 . LTC M 8 . ? -18.416 22.191 13.400 0.80 43.96 ? 172 LTC A C24 1 HETATM 2728 C C25 . LTC M 8 . ? -17.427 21.436 12.513 0.80 46.10 ? 172 LTC A C25 1 HETATM 2729 C C26 . LTC M 8 . ? -17.816 21.732 10.004 0.80 48.88 ? 172 LTC A C26 1 HETATM 2730 C C27 . LTC M 8 . ? -19.242 22.020 9.480 0.80 50.92 ? 172 LTC A C27 1 HETATM 2731 C C28 . LTC M 8 . ? -16.957 22.988 10.184 0.80 51.43 ? 172 LTC A C28 1 HETATM 2732 C C29 . LTC M 8 . ? -14.651 23.401 9.103 0.80 51.20 ? 172 LTC A C29 1 HETATM 2733 C C30 . LTC M 8 . ? -13.731 24.034 10.115 0.80 52.70 ? 172 LTC A C30 1 HETATM 2734 C C31 . LTC M 8 . ? -12.514 24.703 9.464 0.80 48.82 ? 172 LTC A C31 1 HETATM 2735 C C32 . LTC M 8 . ? -11.749 25.339 10.632 0.80 49.95 ? 172 LTC A C32 1 HETATM 2736 C C33 . LTC M 8 . ? -10.917 26.537 10.186 0.80 49.02 ? 172 LTC A C33 1 HETATM 2737 C C34 . LTC M 8 . ? -10.700 27.536 11.332 0.80 46.64 ? 172 LTC A C34 1 HETATM 2738 C C35 . LTC M 8 . ? -9.402 27.212 12.035 0.80 43.55 ? 172 LTC A C35 1 HETATM 2739 C C41 . LTC M 8 . ? -19.422 13.959 12.238 0.80 54.77 ? 172 LTC A C41 1 HETATM 2740 O O41 . LTC M 8 . ? -19.696 15.227 11.593 0.80 54.79 ? 172 LTC A O41 1 HETATM 2741 C C42 . LTC M 8 . ? -19.767 13.786 13.723 0.80 54.25 ? 172 LTC A C42 1 HETATM 2742 N N42 . LTC M 8 . ? -20.749 12.711 13.741 0.80 53.93 ? 172 LTC A N42 1 HETATM 2743 O O42 . LTC M 8 . ? -21.003 14.558 15.650 0.80 54.14 ? 172 LTC A O42 1 HETATM 2744 C C43 . LTC M 8 . ? -20.353 15.014 14.440 0.80 53.25 ? 172 LTC A C43 1 HETATM 2745 C C44 . LTC M 8 . ? -21.252 15.819 13.470 0.80 52.90 ? 172 LTC A C44 1 HETATM 2746 N N44 . LTC M 8 . ? -21.671 17.070 14.117 0.80 53.74 ? 172 LTC A N44 1 HETATM 2747 C C45 . LTC M 8 . ? -20.337 16.325 12.311 0.80 54.77 ? 172 LTC A C45 1 HETATM 2748 C C47 . LTC M 8 . ? -20.300 12.987 11.462 0.80 54.76 ? 172 LTC A C47 1 HETATM 2749 C C48 . LTC M 8 . ? -22.497 17.144 15.177 0.80 52.37 ? 172 LTC A C48 1 HETATM 2750 O O48 . LTC M 8 . ? -22.984 16.146 15.672 0.80 51.22 ? 172 LTC A O48 1 HETATM 2751 C C49 . LTC M 8 . ? -22.780 18.520 15.699 0.80 51.53 ? 172 LTC A C49 1 HETATM 2752 O O . HOH N 9 . ? -20.170 -10.619 14.264 1.00 19.01 ? 693 HOH A O 1 HETATM 2753 O O . HOH N 9 . ? -32.285 4.512 5.762 1.00 32.61 ? 695 HOH A O 1 HETATM 2754 O O . HOH N 9 . ? -9.133 -4.583 17.545 1.00 28.99 ? 696 HOH A O 1 HETATM 2755 O O . HOH N 9 . ? -3.988 9.070 30.107 1.00 19.26 ? 697 HOH A O 1 HETATM 2756 O O . HOH N 9 . ? -17.613 -4.577 23.763 1.00 23.80 ? 698 HOH A O 1 HETATM 2757 O O . HOH N 9 . ? -6.185 -0.644 21.328 1.00 23.07 ? 699 HOH A O 1 HETATM 2758 O O . HOH N 9 . ? -25.256 -0.241 11.639 1.00 20.21 ? 700 HOH A O 1 HETATM 2759 O O . HOH N 9 . ? -8.908 -6.593 19.544 1.00 21.96 ? 701 HOH A O 1 HETATM 2760 O O . HOH N 9 . ? -12.349 0.287 9.132 1.00 29.61 ? 702 HOH A O 1 HETATM 2761 O O . HOH N 9 . ? -11.993 -13.099 10.841 1.00 24.64 ? 703 HOH A O 1 HETATM 2762 O O . HOH N 9 . ? -8.848 -0.009 20.895 1.00 21.91 ? 704 HOH A O 1 HETATM 2763 O O . HOH N 9 . ? -18.231 5.723 16.580 1.00 21.68 ? 705 HOH A O 1 HETATM 2764 O O . HOH N 9 . ? -5.905 -8.311 19.304 1.00 26.32 ? 706 HOH A O 1 HETATM 2765 O O . HOH N 9 . ? -31.624 -10.534 19.493 1.00 32.53 ? 707 HOH A O 1 HETATM 2766 O O . HOH N 9 . ? -5.706 1.742 19.845 1.00 17.77 ? 708 HOH A O 1 HETATM 2767 O O . HOH N 9 . ? -3.665 -6.289 31.695 1.00 37.56 ? 709 HOH A O 1 HETATM 2768 O O . HOH N 9 . ? -12.273 -4.777 11.905 1.00 27.72 ? 711 HOH A O 1 HETATM 2769 O O . HOH N 9 . ? -10.233 2.180 15.135 1.00 32.91 ? 712 HOH A O 1 HETATM 2770 O O . HOH N 9 . ? -12.110 -0.716 14.230 1.00 22.92 ? 713 HOH A O 1 HETATM 2771 O O . HOH N 9 . ? -7.788 -7.829 30.751 1.00 30.91 ? 714 HOH A O 1 HETATM 2772 O O . HOH N 9 . ? -12.845 0.584 19.616 1.00 28.14 ? 715 HOH A O 1 HETATM 2773 O O . HOH N 9 . ? -36.397 -2.288 -2.294 1.00 39.23 ? 716 HOH A O 1 HETATM 2774 O O . HOH N 9 . ? -32.351 -15.580 -4.425 1.00 29.89 ? 717 HOH A O 1 HETATM 2775 O O . HOH N 9 . ? -18.875 5.630 5.815 1.00 23.28 ? 718 HOH A O 1 HETATM 2776 O O . HOH N 9 . ? -10.846 -11.714 13.798 1.00 42.25 ? 719 HOH A O 1 HETATM 2777 O O . HOH N 9 . ? -26.082 -12.374 -2.826 1.00 32.95 ? 720 HOH A O 1 HETATM 2778 O O . HOH N 9 . ? -14.816 13.238 30.538 1.00 37.69 ? 721 HOH A O 1 HETATM 2779 O O . HOH N 9 . ? -35.122 -2.036 4.322 1.00 37.00 ? 722 HOH A O 1 HETATM 2780 O O . HOH N 9 . ? -26.186 -14.364 4.443 1.00 25.68 ? 723 HOH A O 1 HETATM 2781 O O . HOH N 9 . ? -18.430 0.190 27.084 1.00 48.61 ? 724 HOH A O 1 HETATM 2782 O O . HOH N 9 . ? -8.455 -0.910 18.132 1.00 29.16 ? 725 HOH A O 1 HETATM 2783 O O . HOH N 9 . ? -25.843 -11.047 27.275 1.00 45.99 ? 726 HOH A O 1 HETATM 2784 O O . HOH N 9 . ? -13.243 6.101 12.582 1.00 23.04 ? 727 HOH A O 1 HETATM 2785 O O . HOH N 9 . ? -11.270 -1.232 20.949 1.00 20.66 ? 728 HOH A O 1 HETATM 2786 O O . HOH N 9 . ? -10.913 6.177 9.522 1.00 28.56 ? 729 HOH A O 1 HETATM 2787 O O . HOH N 9 . ? -35.121 -14.369 2.036 1.00 37.88 ? 730 HOH A O 1 HETATM 2788 O O . HOH N 9 . ? -30.248 -16.223 25.204 1.00 51.00 ? 731 HOH A O 1 HETATM 2789 O O . HOH N 9 . ? -3.231 17.506 29.398 1.00 54.90 ? 732 HOH A O 1 HETATM 2790 O O . HOH N 9 . ? -14.669 3.463 12.169 1.00 21.96 ? 733 HOH A O 1 HETATM 2791 O O . HOH N 9 . ? -16.448 -16.376 2.212 1.00 59.94 ? 734 HOH A O 1 HETATM 2792 O O . HOH N 9 . ? 0.492 4.163 8.255 1.00 36.74 ? 735 HOH A O 1 HETATM 2793 O O . HOH N 9 . ? -0.633 9.987 8.425 1.00 38.16 ? 736 HOH A O 1 HETATM 2794 O O . HOH N 9 . ? -12.609 21.040 27.709 1.00 60.52 ? 737 HOH A O 1 HETATM 2795 O O . HOH N 9 . ? -10.251 -4.575 15.091 1.00 31.04 ? 738 HOH A O 1 HETATM 2796 O O . HOH N 9 . ? -4.254 -0.046 11.273 1.00 32.55 ? 739 HOH A O 1 HETATM 2797 O O . HOH N 9 . ? -11.075 -3.132 19.018 1.00 42.73 ? 740 HOH A O 1 HETATM 2798 O O . HOH N 9 . ? -14.744 14.959 28.319 1.00 33.25 ? 741 HOH A O 1 HETATM 2799 O O . HOH N 9 . ? -30.007 -12.841 19.315 1.00 31.87 ? 742 HOH A O 1 HETATM 2800 O O . HOH N 9 . ? -7.010 17.951 19.437 1.00 41.50 ? 744 HOH A O 1 HETATM 2801 O O . HOH N 9 . ? -13.938 -1.653 7.921 1.00 26.25 ? 745 HOH A O 1 HETATM 2802 O O . HOH N 9 . ? -1.103 -4.463 32.667 1.00 51.46 ? 746 HOH A O 1 HETATM 2803 O O . HOH N 9 . ? -10.735 17.643 23.626 1.00 52.34 ? 747 HOH A O 1 HETATM 2804 O O . HOH N 9 . ? -28.282 0.714 5.694 1.00 23.49 ? 748 HOH A O 1 HETATM 2805 O O . HOH N 9 . ? -13.103 12.104 8.429 1.00 39.04 ? 749 HOH A O 1 HETATM 2806 O O . HOH N 9 . ? -12.018 -8.569 -1.976 1.00 38.56 ? 750 HOH A O 1 HETATM 2807 O O . HOH N 9 . ? -0.548 -8.350 14.583 1.00 39.92 ? 751 HOH A O 1 HETATM 2808 O O . HOH N 9 . ? 1.398 15.113 12.733 1.00 41.68 ? 752 HOH A O 1 HETATM 2809 O O . HOH N 9 . ? -3.069 7.518 32.315 1.00 35.85 ? 753 HOH A O 1 HETATM 2810 O O . HOH N 9 . ? -32.548 -17.058 9.247 1.00 37.62 ? 754 HOH A O 1 HETATM 2811 O O . HOH N 9 . ? 1.063 5.264 32.529 1.00 44.93 ? 756 HOH A O 1 HETATM 2812 O O . HOH N 9 . ? -13.552 -4.915 23.564 1.00 28.25 ? 757 HOH A O 1 HETATM 2813 O O . HOH N 9 . ? -0.655 3.673 38.115 1.00 46.59 ? 758 HOH A O 1 HETATM 2814 O O . HOH N 9 . ? -18.184 -20.863 8.098 1.00 63.21 ? 759 HOH A O 1 HETATM 2815 O O . HOH N 9 . ? -22.378 -21.208 7.236 1.00 54.09 ? 760 HOH A O 1 HETATM 2816 O O . HOH N 9 . ? 7.155 10.998 20.062 1.00 50.15 ? 761 HOH A O 1 HETATM 2817 O O . HOH N 9 . ? -15.313 -22.053 12.767 1.00 62.06 ? 762 HOH A O 1 HETATM 2818 O O . HOH N 9 . ? -21.740 2.453 24.605 1.00 29.30 ? 763 HOH A O 1 HETATM 2819 O O . HOH N 9 . ? -39.292 -7.130 12.136 1.00 56.67 ? 764 HOH A O 1 HETATM 2820 O O . HOH N 9 . ? -37.937 -4.449 12.242 1.00 50.62 ? 765 HOH A O 1 HETATM 2821 O O . HOH N 9 . ? -14.362 -14.895 -1.097 1.00 41.68 ? 766 HOH A O 1 HETATM 2822 O O . HOH N 9 . ? -15.799 -24.160 19.826 1.00 54.12 ? 767 HOH A O 1 HETATM 2823 O O . HOH N 9 . ? -8.324 -12.589 25.291 1.00 47.48 ? 768 HOH A O 1 HETATM 2824 O O . HOH N 9 . ? -20.973 -10.771 29.292 1.00 48.86 ? 769 HOH A O 1 HETATM 2825 O O . HOH N 9 . ? -24.133 6.991 -1.751 1.00 37.99 ? 770 HOH A O 1 HETATM 2826 O O . HOH N 9 . ? -15.203 -4.146 26.537 1.00 32.50 ? 771 HOH A O 1 HETATM 2827 O O . HOH N 9 . ? -6.331 -21.101 20.699 1.00 57.80 ? 773 HOH A O 1 HETATM 2828 O O . HOH N 9 . ? -8.389 -10.736 13.240 1.00 39.46 ? 774 HOH A O 1 HETATM 2829 O O . HOH N 9 . ? -21.417 -14.455 -1.497 1.00 51.06 ? 775 HOH A O 1 HETATM 2830 O O . HOH N 9 . ? 0.374 -5.173 30.061 1.00 44.25 ? 776 HOH A O 1 HETATM 2831 O O . HOH N 9 . ? -13.005 -3.284 14.063 1.00 30.88 ? 777 HOH A O 1 HETATM 2832 O O . HOH N 9 . ? -35.398 -20.942 11.495 1.00 57.76 ? 778 HOH A O 1 HETATM 2833 O O . HOH N 9 . ? -20.941 14.126 31.449 1.00 63.75 ? 779 HOH A O 1 HETATM 2834 O O . HOH N 9 . ? -35.233 1.286 -3.989 1.00 62.17 ? 781 HOH A O 1 HETATM 2835 O O . HOH N 9 . ? 13.442 8.970 10.024 1.00 54.25 ? 783 HOH A O 1 HETATM 2836 O O . HOH N 9 . ? -14.646 4.754 8.039 1.00 37.36 ? 784 HOH A O 1 HETATM 2837 O O . HOH N 9 . ? 6.165 13.259 7.587 1.00 53.62 ? 785 HOH A O 1 HETATM 2838 O O . HOH N 9 . ? -39.074 -15.133 10.489 1.00 65.78 ? 786 HOH A O 1 HETATM 2839 O O . HOH N 9 . ? -36.815 -4.983 -2.556 1.00 56.04 ? 787 HOH A O 1 HETATM 2840 O O . HOH N 9 . ? -1.876 23.411 18.129 1.00 57.45 ? 788 HOH A O 1 HETATM 2841 O O . HOH N 9 . ? -28.438 -17.972 6.602 1.00 68.55 ? 789 HOH A O 1 HETATM 2842 O O . HOH N 9 . ? 15.079 0.757 12.179 1.00 66.71 ? 790 HOH A O 1 HETATM 2843 O O . HOH N 9 . ? -40.296 -7.771 3.665 1.00 62.70 ? 791 HOH A O 1 HETATM 2844 O O . HOH N 9 . ? -19.971 -12.099 -3.781 1.00 49.74 ? 792 HOH A O 1 HETATM 2845 O O . HOH N 9 . ? 3.935 17.862 15.315 1.00 66.73 ? 794 HOH A O 1 HETATM 2846 O O . HOH N 9 . ? -9.774 21.095 28.084 1.00 47.62 ? 795 HOH A O 1 HETATM 2847 O O . HOH N 9 . ? -18.660 -6.768 27.305 1.00 46.68 ? 796 HOH A O 1 HETATM 2848 O O . HOH N 9 . ? -39.062 -6.290 -0.902 1.00 47.79 ? 797 HOH A O 1 HETATM 2849 O O . HOH N 9 . ? 4.208 16.279 13.116 1.00 60.24 ? 798 HOH A O 1 HETATM 2850 O O . HOH N 9 . ? -33.462 -18.021 -5.205 1.00 46.74 ? 799 HOH A O 1 HETATM 2851 O O . HOH N 9 . ? 7.845 -8.328 14.289 1.00 65.95 ? 800 HOH A O 1 HETATM 2852 O O . HOH N 9 . ? -22.249 8.835 -2.485 1.00 52.76 ? 801 HOH A O 1 HETATM 2853 O O . HOH N 9 . ? -0.223 -5.861 12.399 1.00 44.30 ? 802 HOH A O 1 HETATM 2854 O O . HOH N 9 . ? 2.705 -3.805 31.081 1.00 59.12 ? 803 HOH A O 1 HETATM 2855 O O . HOH N 9 . ? -26.910 8.145 -2.642 1.00 62.02 ? 804 HOH A O 1 HETATM 2856 O O . HOH N 9 . ? -31.646 -19.426 13.922 1.00 58.91 ? 805 HOH A O 1 HETATM 2857 O O . HOH N 9 . ? 4.276 17.140 18.457 1.00 51.49 ? 806 HOH A O 1 HETATM 2858 O O . HOH N 9 . ? -41.451 -15.471 8.232 1.00 69.25 ? 807 HOH A O 1 HETATM 2859 O O . HOH N 9 . ? -38.776 -4.869 28.421 1.00 65.09 ? 808 HOH A O 1 HETATM 2860 O O . HOH N 9 . ? 2.150 14.610 10.179 1.00 58.14 ? 809 HOH A O 1 HETATM 2861 O O . HOH N 9 . ? -36.918 -5.283 21.454 1.00 51.15 ? 810 HOH A O 1 HETATM 2862 O O . HOH N 9 . ? -42.673 -7.166 7.004 1.00 56.43 ? 811 HOH A O 1 HETATM 2863 O O . HOH N 9 . ? -20.209 10.237 35.595 1.00 61.96 ? 812 HOH A O 1 HETATM 2864 O O . HOH N 9 . ? -32.735 2.094 34.418 1.00 58.73 ? 813 HOH A O 1 HETATM 2865 O O . HOH N 9 . ? -23.800 -22.662 24.572 1.00 66.94 ? 814 HOH A O 1 HETATM 2866 O O . HOH N 9 . ? 3.930 15.702 32.723 1.00 64.94 ? 816 HOH A O 1 HETATM 2867 O O . HOH N 9 . ? -13.107 -3.590 33.151 1.00 54.41 ? 817 HOH A O 1 HETATM 2868 O O . HOH N 9 . ? -16.712 -4.998 30.896 1.00 54.91 ? 818 HOH A O 1 HETATM 2869 O O . HOH N 9 . ? 0.056 -8.059 30.054 1.00 64.83 ? 819 HOH A O 1 HETATM 2870 O O . HOH N 9 . ? 6.101 -2.460 25.248 1.00 39.78 ? 820 HOH A O 1 HETATM 2871 O O . HOH N 9 . ? -5.447 -13.896 6.430 1.00 72.56 ? 821 HOH A O 1 HETATM 2872 O O . HOH N 9 . ? -24.718 0.111 24.841 1.00 37.56 ? 822 HOH A O 1 HETATM 2873 O O . HOH N 9 . ? -6.859 -11.867 7.772 1.00 70.46 ? 823 HOH A O 1 HETATM 2874 O O . HOH N 9 . ? -40.755 -4.607 0.424 1.00 53.68 ? 824 HOH A O 1 HETATM 2875 O O . HOH N 9 . ? -39.897 -8.937 28.286 1.00 65.49 ? 825 HOH A O 1 HETATM 2876 O O . HOH N 9 . ? -19.072 -0.879 30.570 1.00 50.93 ? 826 HOH A O 1 HETATM 2877 O O . HOH N 9 . ? -10.032 -21.712 -1.782 1.00 66.88 ? 827 HOH A O 1 HETATM 2878 O O . HOH N 9 . ? 14.456 16.276 17.971 1.00 64.61 ? 829 HOH A O 1 HETATM 2879 O O . HOH N 9 . ? -9.485 12.529 33.271 1.00 30.09 ? 830 HOH A O 1 HETATM 2880 O O . HOH N 9 . ? -20.149 18.778 27.550 1.00 53.15 ? 831 HOH A O 1 HETATM 2881 O O . HOH N 9 . ? -23.759 -2.682 -6.840 1.00 55.56 ? 832 HOH A O 1 HETATM 2882 O O . HOH N 9 . ? -24.427 -19.719 23.094 1.00 37.22 ? 833 HOH A O 1 HETATM 2883 O O . HOH N 9 . ? -20.707 -19.964 13.873 1.00 36.73 ? 834 HOH A O 1 HETATM 2884 O O . HOH N 9 . ? -34.269 5.984 4.081 1.00 55.60 ? 837 HOH A O 1 HETATM 2885 O O . HOH N 9 . ? -0.685 19.228 22.989 1.00 44.77 ? 840 HOH A O 1 HETATM 2886 O O . HOH N 9 . ? -40.392 -10.909 11.222 1.00 57.12 ? 841 HOH A O 1 HETATM 2887 O O . HOH N 9 . ? -35.355 -1.736 -6.864 1.00 62.84 ? 842 HOH A O 1 HETATM 2888 O O . HOH N 9 . ? -7.976 5.371 -6.164 1.00 69.25 ? 843 HOH A O 1 HETATM 2889 O O . HOH N 9 . ? 6.833 16.333 19.035 1.00 54.87 ? 844 HOH A O 1 HETATM 2890 O O . HOH N 9 . ? -3.365 -12.761 4.410 1.00 74.75 ? 845 HOH A O 1 HETATM 2891 O O . HOH N 9 . ? -3.579 6.277 -1.546 1.00 63.59 ? 849 HOH A O 1 HETATM 2892 O O . HOH N 9 . ? -32.772 -20.680 16.874 1.00 45.18 ? 850 HOH A O 1 HETATM 2893 O O . HOH N 9 . ? -19.769 -6.338 -8.052 1.00 51.32 ? 851 HOH A O 1 HETATM 2894 O O . HOH N 9 . ? -5.468 17.798 23.737 1.00 77.50 ? 852 HOH A O 1 HETATM 2895 O O . HOH N 9 . ? -2.794 20.469 24.107 1.00 59.74 ? 853 HOH A O 1 HETATM 2896 O O . HOH N 9 . ? -7.366 17.786 29.120 1.00 44.39 ? 856 HOH A O 1 HETATM 2897 O O . HOH N 9 . ? -12.365 -1.665 -6.149 1.00 46.75 ? 857 HOH A O 1 HETATM 2898 O O . HOH N 9 . ? -38.738 -11.685 28.759 1.00 67.02 ? 858 HOH A O 1 HETATM 2899 O O . HOH N 9 . ? -40.041 3.970 8.888 1.00 61.16 ? 859 HOH A O 1 HETATM 2900 O O . HOH N 9 . ? -19.320 -17.213 0.958 1.00 53.78 ? 860 HOH A O 1 HETATM 2901 O O . HOH N 9 . ? -32.114 4.663 21.693 1.00 35.10 ? 861 HOH A O 1 HETATM 2902 O O . HOH N 9 . ? -21.997 4.143 -1.008 1.00 37.99 ? 862 HOH A O 1 HETATM 2903 O O . HOH N 9 . ? -16.018 -6.663 28.051 1.00 46.17 ? 863 HOH A O 1 HETATM 2904 O O . HOH N 9 . ? -24.638 -3.369 -4.180 1.00 55.45 ? 865 HOH A O 1 HETATM 2905 O O . HOH N 9 . ? -37.678 -14.911 23.482 1.00 69.52 ? 866 HOH A O 1 HETATM 2906 O O . HOH N 9 . ? -27.615 16.972 30.390 1.00 69.79 ? 868 HOH A O 1 HETATM 2907 O O . HOH N 9 . ? -0.411 -12.499 5.291 1.00 56.88 ? 869 HOH A O 1 HETATM 2908 O O . HOH N 9 . ? -11.763 0.806 -5.144 1.00 66.75 ? 870 HOH A O 1 HETATM 2909 O O . HOH N 9 . ? -37.121 7.849 2.492 1.00 72.90 ? 871 HOH A O 1 HETATM 2910 O O . HOH N 9 . ? -8.624 -2.408 -7.393 1.00 73.95 ? 872 HOH A O 1 HETATM 2911 O O . HOH N 9 . ? -25.087 -1.089 35.814 1.00 65.84 ? 873 HOH A O 1 HETATM 2912 O O . HOH N 9 . ? 0.950 -1.720 32.563 1.00 46.65 ? 874 HOH A O 1 HETATM 2913 O O . HOH N 9 . ? -12.428 -20.793 8.176 1.00 74.14 ? 875 HOH A O 1 HETATM 2914 O O . HOH N 9 . ? -40.315 -15.382 18.300 1.00 55.82 ? 876 HOH A O 1 HETATM 2915 O O . HOH N 9 . ? -30.778 15.358 21.292 1.00 66.07 ? 877 HOH A O 1 HETATM 2916 O O . HOH N 9 . ? -25.221 15.653 31.098 1.00 60.00 ? 878 HOH A O 1 HETATM 2917 O O . HOH N 9 . ? 1.295 19.181 7.438 1.00 70.92 ? 879 HOH A O 1 HETATM 2918 O O . HOH N 9 . ? 11.993 6.295 26.431 1.00 72.17 ? 880 HOH A O 1 HETATM 2919 O O . HOH N 9 . ? -20.928 -21.180 16.453 1.00 56.58 ? 881 HOH A O 1 HETATM 2920 O O . HOH N 9 . ? -9.661 -13.743 12.268 1.00 48.03 ? 882 HOH A O 1 HETATM 2921 O O . HOH N 9 . ? -5.480 -14.787 1.573 1.00 69.05 ? 883 HOH A O 1 HETATM 2922 O O . HOH N 9 . ? 5.618 -0.439 29.521 1.00 54.42 ? 884 HOH A O 1 HETATM 2923 O O . HOH N 9 . ? -30.913 -4.913 32.451 1.00 67.92 ? 885 HOH A O 1 HETATM 2924 O O . HOH N 9 . ? -3.877 -19.477 14.292 1.00 57.70 ? 886 HOH A O 1 HETATM 2925 O O . HOH N 9 . ? -19.937 -20.446 4.315 1.00 51.93 ? 887 HOH A O 1 HETATM 2926 O O . HOH N 9 . ? -22.517 -23.360 15.041 1.00 69.08 ? 888 HOH A O 1 HETATM 2927 O O . HOH N 9 . ? -10.487 10.175 35.386 1.00 42.70 ? 890 HOH A O 1 HETATM 2928 O O . HOH N 9 . ? -8.994 -3.373 1.793 1.00 60.45 ? 891 HOH A O 1 HETATM 2929 O O . HOH N 9 . ? -7.606 -16.585 11.019 1.00 74.30 ? 892 HOH A O 1 HETATM 2930 O O . HOH N 9 . ? -17.048 9.135 1.696 1.00 63.58 ? 893 HOH A O 1 HETATM 2931 O O . HOH N 9 . ? -38.631 6.161 6.751 1.00 53.95 ? 894 HOH A O 1 HETATM 2932 O O . HOH N 9 . ? -24.037 -2.611 27.724 1.00 66.49 ? 895 HOH A O 1 HETATM 2933 O O . HOH N 9 . ? -41.117 -7.017 26.496 1.00 59.46 ? 896 HOH A O 1 HETATM 2934 O O . HOH N 9 . ? -24.339 -0.485 38.354 1.00 68.93 ? 897 HOH A O 1 HETATM 2935 O O . HOH N 9 . ? -5.369 -6.009 -3.287 1.00 55.20 ? 898 HOH A O 1 HETATM 2936 O O . HOH N 9 . ? -35.535 4.429 24.277 1.00 57.44 ? 900 HOH A O 1 HETATM 2937 O O . HOH N 9 . ? -32.075 -14.068 24.773 1.00 63.65 ? 901 HOH A O 1 HETATM 2938 O O . HOH N 9 . ? 1.749 -2.189 10.677 1.00 38.04 ? 903 HOH A O 1 HETATM 2939 O O . HOH N 9 . ? -41.307 -14.916 12.070 1.00 67.69 ? 904 HOH A O 1 HETATM 2940 O O . HOH N 9 . ? -12.534 14.984 6.763 1.00 42.29 ? 905 HOH A O 1 HETATM 2941 O O . HOH N 9 . ? 7.446 19.390 22.744 1.00 64.16 ? 906 HOH A O 1 HETATM 2942 O O . HOH N 9 . ? 10.321 -3.819 6.983 1.00 68.85 ? 907 HOH A O 1 HETATM 2943 O O . HOH N 9 . ? -39.608 7.350 20.599 1.00 72.59 ? 909 HOH A O 1 HETATM 2944 O O . HOH N 9 . ? -1.950 12.639 5.004 1.00 60.30 ? 911 HOH A O 1 HETATM 2945 O O . HOH N 9 . ? 1.424 24.040 18.629 1.00 62.65 ? 912 HOH A O 1 HETATM 2946 O O . HOH N 9 . ? -19.714 -23.057 10.252 1.00 65.80 ? 913 HOH A O 1 HETATM 2947 O O . HOH N 9 . ? -28.096 -24.269 10.974 1.00 58.80 ? 914 HOH A O 1 HETATM 2948 O O . HOH N 9 . ? -29.791 -22.874 12.570 1.00 61.69 ? 915 HOH A O 1 HETATM 2949 O O . HOH N 9 . ? -35.437 -7.024 28.845 1.00 61.92 ? 916 HOH A O 1 HETATM 2950 O O . HOH N 9 . ? 0.441 19.843 13.669 1.00 58.34 ? 917 HOH A O 1 HETATM 2951 O O . HOH N 9 . ? -38.736 3.360 24.558 1.00 64.99 ? 918 HOH A O 1 HETATM 2952 O O . HOH N 9 . ? -15.191 -18.278 3.810 1.00 48.97 ? 921 HOH A O 1 HETATM 2953 O O . HOH N 9 . ? -1.286 23.791 21.435 1.00 76.77 ? 922 HOH A O 1 HETATM 2954 O O . HOH N 9 . ? -1.196 -7.326 10.220 1.00 53.83 ? 923 HOH A O 1 HETATM 2955 O O . HOH N 9 . ? -29.593 -0.971 35.055 1.00 66.26 ? 925 HOH A O 1 HETATM 2956 O O . HOH N 9 . ? -3.075 -8.354 2.552 1.00 64.82 ? 926 HOH A O 1 HETATM 2957 O O . HOH N 9 . ? -26.822 8.218 -5.789 1.00 57.92 ? 927 HOH A O 1 HETATM 2958 O O . HOH N 9 . ? -2.982 23.441 6.118 1.00 65.84 ? 928 HOH A O 1 HETATM 2959 O O . HOH N 9 . ? -7.933 2.403 -2.066 1.00 68.00 ? 929 HOH A O 1 HETATM 2960 O O . HOH N 9 . ? -3.105 16.562 3.744 1.00 62.41 ? 930 HOH A O 1 HETATM 2961 O O . HOH N 9 . ? -43.063 -13.569 19.192 1.00 74.29 ? 931 HOH A O 1 HETATM 2962 O O . HOH N 9 . ? -35.912 -8.788 -2.866 1.00 43.18 ? 932 HOH A O 1 HETATM 2963 O O . HOH N 9 . ? -15.417 -23.623 10.772 1.00 60.15 ? 933 HOH A O 1 HETATM 2964 O O . HOH N 9 . ? -19.473 16.633 28.812 1.00 56.16 ? 934 HOH A O 1 HETATM 2965 O O . HOH N 9 . ? -3.819 4.676 5.666 1.00 49.98 ? 935 HOH A O 1 HETATM 2966 O O . HOH N 9 . ? -2.414 12.085 1.410 1.00 55.84 ? 936 HOH A O 1 HETATM 2967 O O . HOH N 9 . ? -7.944 -13.564 14.524 1.00 48.60 ? 938 HOH A O 1 HETATM 2968 O O . HOH N 9 . ? -23.339 -11.150 -9.698 1.00 93.78 ? 941 HOH A O 1 HETATM 2969 O O . HOH N 9 . ? -5.279 20.469 20.234 1.00 56.30 ? 942 HOH A O 1 HETATM 2970 O O . HOH N 9 . ? -28.143 -12.095 3.864 1.00 25.64 ? 943 HOH A O 1 HETATM 2971 O O . HOH N 9 . ? -10.394 0.481 7.459 1.00 31.85 ? 944 HOH A O 1 HETATM 2972 O O . HOH N 9 . ? -28.865 -20.216 24.280 1.00 56.41 ? 945 HOH A O 1 HETATM 2973 O O . HOH N 9 . ? -8.536 -1.375 4.007 1.00 51.97 ? 946 HOH A O 1 HETATM 2974 O O . HOH N 9 . ? 14.705 15.729 21.937 1.00 57.72 ? 947 HOH A O 1 HETATM 2975 O O . HOH N 9 . ? -22.200 -0.707 34.153 1.00 50.16 ? 948 HOH A O 1 HETATM 2976 O O . HOH N 9 . ? -11.742 10.650 -4.859 1.00 49.98 ? 949 HOH A O 1 HETATM 2977 O O . HOH N 9 . ? -4.470 -10.677 2.782 1.00 70.40 ? 951 HOH A O 1 HETATM 2978 O O . HOH N 9 . ? -10.240 -8.875 4.664 1.00 41.89 ? 953 HOH A O 1 HETATM 2979 O O . HOH N 9 . ? -27.713 -16.252 1.122 1.00 59.30 ? 955 HOH A O 1 HETATM 2980 O O . HOH N 9 . ? -7.991 2.106 -6.769 1.00 76.13 ? 957 HOH A O 1 HETATM 2981 O O . HOH N 9 . ? 8.465 -4.253 21.865 1.00 50.89 ? 958 HOH A O 1 HETATM 2982 O O . HOH N 9 . ? 10.051 -6.191 19.612 1.00 62.72 ? 959 HOH A O 1 HETATM 2983 O O . HOH N 9 . ? -28.908 -22.803 26.516 1.00 59.01 ? 960 HOH A O 1 HETATM 2984 O O . HOH N 9 . ? -22.617 16.312 31.319 1.00 70.44 ? 961 HOH A O 1 HETATM 2985 O O . HOH N 9 . ? 12.000 15.595 16.794 1.00 85.06 ? 962 HOH A O 1 HETATM 2986 O O . HOH N 9 . ? -10.188 12.689 -5.729 1.00 64.17 ? 963 HOH A O 1 HETATM 2987 O O . HOH N 9 . ? -25.491 -22.278 15.885 1.00 64.43 ? 964 HOH A O 1 HETATM 2988 O O . HOH N 9 . ? -9.011 1.356 -4.335 1.00 61.42 ? 965 HOH A O 1 HETATM 2989 O O . HOH N 9 . ? -5.657 2.418 -3.546 1.00 70.17 ? 966 HOH A O 1 HETATM 2990 O O . HOH N 9 . ? -3.062 3.490 -2.749 1.00 61.66 ? 967 HOH A O 1 HETATM 2991 O O . HOH N 9 . ? -17.161 21.725 20.222 1.00 51.61 ? 968 HOH A O 1 HETATM 2992 O O . HOH N 9 . ? -0.796 20.573 3.377 1.00 50.80 ? 969 HOH A O 1 HETATM 2993 O O . HOH N 9 . ? -28.902 -21.826 10.091 1.00 55.39 ? 970 HOH A O 1 HETATM 2994 O O . HOH N 9 . ? -18.436 8.085 4.682 1.00 43.62 ? 972 HOH A O 1 HETATM 2995 O O . HOH N 9 . ? -1.930 -10.653 7.190 1.00 62.11 ? 973 HOH A O 1 HETATM 2996 O O . HOH N 9 . ? -9.208 -0.341 15.497 1.00 28.39 ? 974 HOH A O 1 HETATM 2997 O O . HOH N 9 . ? -31.505 -12.181 -6.031 1.00 50.57 ? 975 HOH A O 1 HETATM 2998 O O . HOH N 9 . ? -18.536 -2.997 27.047 1.00 54.25 ? 976 HOH A O 1 HETATM 2999 O O . HOH N 9 . ? -5.559 18.633 32.260 1.00 36.73 ? 977 HOH A O 1 HETATM 3000 O O . HOH N 9 . ? -10.451 -20.742 2.937 1.00 61.12 ? 978 HOH A O 1 HETATM 3001 O O . HOH N 9 . ? -31.125 11.373 39.844 1.00 80.23 ? 979 HOH A O 1 HETATM 3002 O O . HOH N 9 . ? -30.706 14.070 39.695 1.00 62.67 ? 980 HOH A O 1 HETATM 3003 O O . HOH N 9 . ? -27.880 -16.982 30.634 1.00 63.96 ? 981 HOH A O 1 HETATM 3004 O O . HOH N 9 . ? -10.498 1.877 17.681 1.00 37.23 ? 982 HOH A O 1 HETATM 3005 O O . HOH N 9 . ? -11.882 -2.845 6.632 1.00 55.89 ? 983 HOH A O 1 HETATM 3006 O O . HOH N 9 . ? -18.951 4.490 32.365 1.00 47.68 ? 984 HOH A O 1 HETATM 3007 O O . HOH N 9 . ? -42.028 1.224 1.555 1.00 52.46 ? 985 HOH A O 1 HETATM 3008 O O . HOH N 9 . ? -40.242 -3.422 3.461 1.00 45.53 ? 986 HOH A O 1 HETATM 3009 O O . HOH N 9 . ? -34.260 -13.787 27.122 1.00 62.27 ? 987 HOH A O 1 HETATM 3010 O O . HOH N 9 . ? -7.242 -22.392 3.702 1.00 64.88 ? 988 HOH A O 1 HETATM 3011 O O . HOH N 9 . ? -32.056 13.405 42.082 1.00 56.73 ? 989 HOH A O 1 HETATM 3012 O O . HOH N 9 . ? -3.882 -1.681 40.253 1.00 30.90 ? 990 HOH A O 1 HETATM 3013 O O . HOH N 9 . ? -25.088 -3.326 31.030 1.00 53.17 ? 991 HOH A O 1 HETATM 3014 O O . HOH N 9 . ? -25.076 -1.694 33.189 1.00 63.29 ? 992 HOH A O 1 HETATM 3015 O O . HOH N 9 . ? -17.418 14.000 16.115 1.00 42.07 ? 993 HOH A O 1 HETATM 3016 O O . HOH N 9 . ? -24.100 13.521 16.866 1.00 36.80 ? 994 HOH A O 1 HETATM 3017 O O . HOH N 9 . ? -35.793 -12.914 -8.332 1.00 43.39 ? 995 HOH A O 1 HETATM 3018 O O . HOH N 9 . ? -35.358 21.759 25.168 1.00 67.98 ? 996 HOH A O 1 HETATM 3019 O O . HOH N 9 . ? -27.326 10.282 12.635 1.00 41.91 ? 997 HOH A O 1 HETATM 3020 O O . HOH N 9 . ? -2.812 -14.154 14.500 1.00 61.37 ? 998 HOH A O 1 HETATM 3021 O O . HOH N 9 . ? -20.305 10.612 2.830 1.00 59.55 ? 999 HOH A O 1 HETATM 3022 O O . HOH N 9 . ? -30.696 7.543 13.645 1.00 53.67 ? 1000 HOH A O 1 HETATM 3023 O O . HOH N 9 . ? -20.006 16.734 17.269 1.00 54.34 ? 1001 HOH A O 1 HETATM 3024 O O . HOH N 9 . ? -8.600 -15.051 8.273 1.00 58.03 ? 1002 HOH A O 1 HETATM 3025 O O . HOH N 9 . ? -32.405 -2.372 -5.426 1.00 45.96 ? 1003 HOH A O 1 HETATM 3026 O O . HOH N 9 . ? -10.930 17.529 13.164 1.00 55.50 ? 1004 HOH A O 1 HETATM 3027 O O . HOH N 9 . ? -15.516 18.657 14.378 1.00 68.89 ? 1005 HOH A O 1 HETATM 3028 O O . HOH N 9 . ? 6.802 -10.903 12.964 1.00 66.06 ? 1006 HOH A O 1 HETATM 3029 O O . HOH N 9 . ? -2.365 -16.268 11.984 1.00 61.42 ? 1007 HOH A O 1 HETATM 3030 O O . HOH N 9 . ? -17.150 13.372 32.750 1.00 52.37 ? 1008 HOH A O 1 HETATM 3031 O O . HOH N 9 . ? -37.419 24.079 24.148 1.00 64.18 ? 1009 HOH A O 1 HETATM 3032 O O . HOH N 9 . ? -34.395 -17.523 11.167 1.00 54.69 ? 1010 HOH A O 1 HETATM 3033 O O . HOH N 9 . ? -38.216 20.910 25.243 1.00 58.59 ? 1011 HOH A O 1 HETATM 3034 O O . HOH N 9 . ? -33.023 -20.305 10.386 1.00 59.61 ? 1013 HOH A O 1 HETATM 3035 O O . HOH N 9 . ? -10.572 -22.287 0.730 1.00 58.52 ? 1014 HOH A O 1 HETATM 3036 O O . HOH N 9 . ? -36.217 23.839 21.601 1.00 50.95 ? 1015 HOH A O 1 HETATM 3037 O O . HOH N 9 . ? -33.327 23.473 22.532 1.00 67.81 ? 1016 HOH A O 1 HETATM 3038 O O . HOH N 9 . ? -35.610 24.211 18.732 1.00 57.06 ? 1017 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' 2 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 monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_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 ? D 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 ? D FE . ? A FE 84 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 171.9 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 85.4 ? 4 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 O2 ? E CO3 . ? A CO3 85 ? 1_555 96.8 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 O2 ? E CO3 . ? A CO3 85 ? 1_555 94.8 ? 6 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 O2 ? E CO3 . ? A CO3 85 ? 1_555 89.3 ? 7 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 O1 ? E CO3 . ? A CO3 85 ? 1_555 87.6 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 O1 ? E CO3 . ? A CO3 85 ? 1_555 157.9 ? 9 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 O1 ? E CO3 . ? A CO3 85 ? 1_555 90.3 ? 10 O2 ? E CO3 . ? A CO3 85 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 O1 ? E CO3 . ? A CO3 85 ? 1_555 63.4 ? 11 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 84.6 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 97.8 ? 13 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 88.3 ? 14 O2 ? E CO3 . ? A CO3 85 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 166.8 ? 15 O1 ? E CO3 . ? A CO3 85 ? 1_555 FE ? D FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 103.7 ? 16 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? B ZN . ? A ZN 81 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 57.5 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2011-06-29 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 AMoRE phasing . ? 2 REFMAC refinement 5.5.0109 ? 3 AUTOMAR 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_entry_details.sequence_details ;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.entry_id 3SDF _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 HIS A 420 ? ? 50.33 17.03 2 1 ALA A 460 ? ? 173.57 152.85 3 1 TRP A 467 ? ? -144.35 -67.49 4 1 SER A 634 ? ? -171.96 34.82 5 1 LEU A 640 ? ? 73.32 -49.21 6 1 ARG A 654 ? ? 31.46 44.37 7 1 ALA A 685 ? ? -78.92 21.96 # _pdbx_unobs_or_zero_occ_atoms.id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1 _pdbx_unobs_or_zero_occ_atoms.polymer_flag N _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1 _pdbx_unobs_or_zero_occ_atoms.auth_asym_id A _pdbx_unobs_or_zero_occ_atoms.auth_comp_id NAG _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ? _pdbx_unobs_or_zero_occ_atoms.auth_atom_id O1 _pdbx_unobs_or_zero_occ_atoms.label_alt_id ? _pdbx_unobs_or_zero_occ_atoms.label_asym_id G _pdbx_unobs_or_zero_occ_atoms.label_comp_id NAG _pdbx_unobs_or_zero_occ_atoms.label_seq_id 1 _pdbx_unobs_or_zero_occ_atoms.label_atom_id O1 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A THR 677 ? A THR 336 2 1 Y 1 A SER 678 ? A SER 337 3 1 Y 1 A PRO 679 ? A PRO 338 4 1 Y 1 A LEU 680 ? A LEU 339 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'ZINC ION' ZN 3 'FE (III) ION' FE 4 'CARBONATE ION' CO3 5 'SULFATE ION' SO4 6 N-ACETYL-D-GLUCOSAMINE NAG 7 BETA-D-MANNOSE BMA 8 ;(2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate ; LTC 9 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 ZN 1 81 81 ZN ZN A . C 2 ZN 1 82 82 ZN ZN A . D 3 FE 1 84 84 FE FE A . E 4 CO3 1 85 85 CO3 CO3 A . F 5 SO4 1 692 692 SO4 SO4 A . G 6 NAG 1 1 1 NAG NAG A . H 6 NAG 1 3 3 NAG NAG A . I 6 NAG 2 4 4 NAG NAG A . J 7 BMA 3 5 5 BMA BMA A . K 6 NAG 1 8 8 NAG NAG A . L 6 NAG 2 9 9 NAG NAG A . M 8 LTC 1 172 172 LTC LTC A . N 9 HOH 1 693 693 HOH HOH A . N 9 HOH 2 695 695 HOH HOH A . N 9 HOH 3 696 696 HOH HOH A . N 9 HOH 4 697 697 HOH HOH A . N 9 HOH 5 698 698 HOH HOH A . N 9 HOH 6 699 699 HOH HOH A . N 9 HOH 7 700 700 HOH HOH A . N 9 HOH 8 701 701 HOH HOH A . N 9 HOH 9 702 702 HOH HOH A . N 9 HOH 10 703 703 HOH HOH A . N 9 HOH 11 704 704 HOH HOH A . N 9 HOH 12 705 705 HOH HOH A . N 9 HOH 13 706 706 HOH HOH A . N 9 HOH 14 707 707 HOH HOH A . N 9 HOH 15 708 708 HOH HOH A . N 9 HOH 16 709 709 HOH HOH A . N 9 HOH 17 711 711 HOH HOH A . N 9 HOH 18 712 712 HOH HOH A . N 9 HOH 19 713 713 HOH HOH A . N 9 HOH 20 714 714 HOH HOH A . N 9 HOH 21 715 715 HOH HOH A . N 9 HOH 22 716 716 HOH HOH A . N 9 HOH 23 717 717 HOH HOH A . N 9 HOH 24 718 718 HOH HOH A . N 9 HOH 25 719 719 HOH HOH A . N 9 HOH 26 720 720 HOH HOH A . N 9 HOH 27 721 721 HOH HOH A . N 9 HOH 28 722 722 HOH HOH A . N 9 HOH 29 723 723 HOH HOH A . N 9 HOH 30 724 724 HOH HOH A . N 9 HOH 31 725 725 HOH HOH A . N 9 HOH 32 726 726 HOH HOH A . N 9 HOH 33 727 727 HOH HOH A . N 9 HOH 34 728 728 HOH HOH A . N 9 HOH 35 729 729 HOH HOH A . N 9 HOH 36 730 730 HOH HOH A . N 9 HOH 37 731 731 HOH HOH A . N 9 HOH 38 732 732 HOH HOH A . N 9 HOH 39 733 733 HOH HOH A . N 9 HOH 40 734 734 HOH HOH A . N 9 HOH 41 735 735 HOH HOH A . N 9 HOH 42 736 736 HOH HOH A . N 9 HOH 43 737 737 HOH HOH A . N 9 HOH 44 738 738 HOH HOH A . N 9 HOH 45 739 739 HOH HOH A . N 9 HOH 46 740 740 HOH HOH A . N 9 HOH 47 741 741 HOH HOH A . N 9 HOH 48 742 742 HOH HOH A . N 9 HOH 49 744 744 HOH HOH A . N 9 HOH 50 745 745 HOH HOH A . N 9 HOH 51 746 746 HOH HOH A . N 9 HOH 52 747 747 HOH HOH A . N 9 HOH 53 748 748 HOH HOH A . N 9 HOH 54 749 749 HOH HOH A . N 9 HOH 55 750 750 HOH HOH A . N 9 HOH 56 751 751 HOH HOH A . N 9 HOH 57 752 752 HOH HOH A . N 9 HOH 58 753 753 HOH HOH A . N 9 HOH 59 754 754 HOH HOH A . N 9 HOH 60 756 756 HOH HOH A . N 9 HOH 61 757 757 HOH HOH A . N 9 HOH 62 758 758 HOH HOH A . N 9 HOH 63 759 759 HOH HOH A . N 9 HOH 64 760 760 HOH HOH A . N 9 HOH 65 761 761 HOH HOH A . N 9 HOH 66 762 762 HOH HOH A . N 9 HOH 67 763 763 HOH HOH A . N 9 HOH 68 764 764 HOH HOH A . N 9 HOH 69 765 765 HOH HOH A . N 9 HOH 70 766 766 HOH HOH A . N 9 HOH 71 767 767 HOH HOH A . N 9 HOH 72 768 768 HOH HOH A . N 9 HOH 73 769 769 HOH HOH A . N 9 HOH 74 770 770 HOH HOH A . N 9 HOH 75 771 771 HOH HOH A . N 9 HOH 76 773 773 HOH HOH A . N 9 HOH 77 774 774 HOH HOH A . N 9 HOH 78 775 775 HOH HOH A . N 9 HOH 79 776 776 HOH HOH A . N 9 HOH 80 777 777 HOH HOH A . N 9 HOH 81 778 778 HOH HOH A . N 9 HOH 82 779 779 HOH HOH A . N 9 HOH 83 781 781 HOH HOH A . N 9 HOH 84 783 783 HOH HOH A . N 9 HOH 85 784 784 HOH HOH A . N 9 HOH 86 785 785 HOH HOH A . N 9 HOH 87 786 786 HOH HOH A . N 9 HOH 88 787 787 HOH HOH A . N 9 HOH 89 788 788 HOH HOH A . N 9 HOH 90 789 789 HOH HOH A . N 9 HOH 91 790 790 HOH HOH A . N 9 HOH 92 791 791 HOH HOH A . N 9 HOH 93 792 792 HOH HOH A . N 9 HOH 94 794 794 HOH HOH A . N 9 HOH 95 795 795 HOH HOH A . N 9 HOH 96 796 796 HOH HOH A . N 9 HOH 97 797 797 HOH HOH A . N 9 HOH 98 798 798 HOH HOH A . N 9 HOH 99 799 799 HOH HOH A . N 9 HOH 100 800 800 HOH HOH A . N 9 HOH 101 801 801 HOH HOH A . N 9 HOH 102 802 802 HOH HOH A . N 9 HOH 103 803 803 HOH HOH A . N 9 HOH 104 804 804 HOH HOH A . N 9 HOH 105 805 805 HOH HOH A . N 9 HOH 106 806 806 HOH HOH A . N 9 HOH 107 807 807 HOH HOH A . N 9 HOH 108 808 808 HOH HOH A . N 9 HOH 109 809 809 HOH HOH A . N 9 HOH 110 810 810 HOH HOH A . N 9 HOH 111 811 811 HOH HOH A . N 9 HOH 112 812 812 HOH HOH A . N 9 HOH 113 813 813 HOH HOH A . N 9 HOH 114 814 814 HOH HOH A . N 9 HOH 115 816 816 HOH HOH A . N 9 HOH 116 817 817 HOH HOH A . N 9 HOH 117 818 818 HOH HOH A . N 9 HOH 118 819 819 HOH HOH A . N 9 HOH 119 820 820 HOH HOH A . N 9 HOH 120 821 821 HOH HOH A . N 9 HOH 121 822 822 HOH HOH A . N 9 HOH 122 823 823 HOH HOH A . N 9 HOH 123 824 824 HOH HOH A . N 9 HOH 124 825 825 HOH HOH A . N 9 HOH 125 826 826 HOH HOH A . N 9 HOH 126 827 827 HOH HOH A . N 9 HOH 127 829 829 HOH HOH A . N 9 HOH 128 830 830 HOH HOH A . N 9 HOH 129 831 831 HOH HOH A . N 9 HOH 130 832 832 HOH HOH A . N 9 HOH 131 833 833 HOH HOH A . N 9 HOH 132 834 834 HOH HOH A . N 9 HOH 133 837 837 HOH HOH A . N 9 HOH 134 840 840 HOH HOH A . N 9 HOH 135 841 841 HOH HOH A . N 9 HOH 136 842 842 HOH HOH A . N 9 HOH 137 843 843 HOH HOH A . N 9 HOH 138 844 844 HOH HOH A . N 9 HOH 139 845 845 HOH HOH A . N 9 HOH 140 849 849 HOH HOH A . N 9 HOH 141 850 850 HOH HOH A . N 9 HOH 142 851 851 HOH HOH A . N 9 HOH 143 852 852 HOH HOH A . N 9 HOH 144 853 853 HOH HOH A . N 9 HOH 145 856 856 HOH HOH A . N 9 HOH 146 857 857 HOH HOH A . N 9 HOH 147 858 858 HOH HOH A . N 9 HOH 148 859 859 HOH HOH A . N 9 HOH 149 860 860 HOH HOH A . N 9 HOH 150 861 861 HOH HOH A . N 9 HOH 151 862 862 HOH HOH A . N 9 HOH 152 863 863 HOH HOH A . N 9 HOH 153 865 865 HOH HOH A . N 9 HOH 154 866 866 HOH HOH A . N 9 HOH 155 868 868 HOH HOH A . N 9 HOH 156 869 869 HOH HOH A . N 9 HOH 157 870 870 HOH HOH A . N 9 HOH 158 871 871 HOH HOH A . N 9 HOH 159 872 872 HOH HOH A . N 9 HOH 160 873 873 HOH HOH A . N 9 HOH 161 874 874 HOH HOH A . N 9 HOH 162 875 875 HOH HOH A . N 9 HOH 163 876 876 HOH HOH A . N 9 HOH 164 877 877 HOH HOH A . N 9 HOH 165 878 878 HOH HOH A . N 9 HOH 166 879 879 HOH HOH A . N 9 HOH 167 880 880 HOH HOH A . N 9 HOH 168 881 881 HOH HOH A . N 9 HOH 169 882 882 HOH HOH A . N 9 HOH 170 883 883 HOH HOH A . N 9 HOH 171 884 884 HOH HOH A . N 9 HOH 172 885 885 HOH HOH A . N 9 HOH 173 886 886 HOH HOH A . N 9 HOH 174 887 887 HOH HOH A . N 9 HOH 175 888 888 HOH HOH A . N 9 HOH 176 890 890 HOH HOH A . N 9 HOH 177 891 891 HOH HOH A . N 9 HOH 178 892 892 HOH HOH A . N 9 HOH 179 893 893 HOH HOH A . N 9 HOH 180 894 894 HOH HOH A . N 9 HOH 181 895 895 HOH HOH A . N 9 HOH 182 896 896 HOH HOH A . N 9 HOH 183 897 897 HOH HOH A . N 9 HOH 184 898 898 HOH HOH A . N 9 HOH 185 900 900 HOH HOH A . N 9 HOH 186 901 901 HOH HOH A . N 9 HOH 187 903 903 HOH HOH A . N 9 HOH 188 904 904 HOH HOH A . N 9 HOH 189 905 905 HOH HOH A . N 9 HOH 190 906 906 HOH HOH A . N 9 HOH 191 907 907 HOH HOH A . N 9 HOH 192 909 909 HOH HOH A . N 9 HOH 193 911 911 HOH HOH A . N 9 HOH 194 912 912 HOH HOH A . N 9 HOH 195 913 913 HOH HOH A . N 9 HOH 196 914 914 HOH HOH A . N 9 HOH 197 915 915 HOH HOH A . N 9 HOH 198 916 916 HOH HOH A . N 9 HOH 199 917 917 HOH HOH A . N 9 HOH 200 918 918 HOH HOH A . N 9 HOH 201 921 921 HOH HOH A . N 9 HOH 202 922 922 HOH HOH A . N 9 HOH 203 923 923 HOH HOH A . N 9 HOH 204 925 925 HOH HOH A . N 9 HOH 205 926 926 HOH HOH A . N 9 HOH 206 927 927 HOH HOH A . N 9 HOH 207 928 928 HOH HOH A . N 9 HOH 208 929 929 HOH HOH A . N 9 HOH 209 930 930 HOH HOH A . N 9 HOH 210 931 931 HOH HOH A . N 9 HOH 211 932 932 HOH HOH A . N 9 HOH 212 933 933 HOH HOH A . N 9 HOH 213 934 934 HOH HOH A . N 9 HOH 214 935 935 HOH HOH A . N 9 HOH 215 936 936 HOH HOH A . N 9 HOH 216 938 938 HOH HOH A . N 9 HOH 217 941 941 HOH HOH A . N 9 HOH 218 942 942 HOH HOH A . N 9 HOH 219 943 943 HOH HOH A . N 9 HOH 220 944 944 HOH HOH A . N 9 HOH 221 945 945 HOH HOH A . N 9 HOH 222 946 946 HOH HOH A . N 9 HOH 223 947 947 HOH HOH A . N 9 HOH 224 948 948 HOH HOH A . N 9 HOH 225 949 949 HOH HOH A . N 9 HOH 226 951 951 HOH HOH A . N 9 HOH 227 953 953 HOH HOH A . N 9 HOH 228 955 955 HOH HOH A . N 9 HOH 229 957 957 HOH HOH A . N 9 HOH 230 958 958 HOH HOH A . N 9 HOH 231 959 959 HOH HOH A . N 9 HOH 232 960 960 HOH HOH A . N 9 HOH 233 961 961 HOH HOH A . N 9 HOH 234 962 962 HOH HOH A . N 9 HOH 235 963 963 HOH HOH A . N 9 HOH 236 964 964 HOH HOH A . N 9 HOH 237 965 965 HOH HOH A . N 9 HOH 238 966 966 HOH HOH A . N 9 HOH 239 967 967 HOH HOH A . N 9 HOH 240 968 968 HOH HOH A . N 9 HOH 241 969 969 HOH HOH A . N 9 HOH 242 970 970 HOH HOH A . N 9 HOH 243 972 972 HOH HOH A . N 9 HOH 244 973 973 HOH HOH A . N 9 HOH 245 974 974 HOH HOH A . N 9 HOH 246 975 975 HOH HOH A . N 9 HOH 247 976 976 HOH HOH A . N 9 HOH 248 977 977 HOH HOH A . N 9 HOH 249 978 978 HOH HOH A . N 9 HOH 250 979 979 HOH HOH A . N 9 HOH 251 980 980 HOH HOH A . N 9 HOH 252 981 981 HOH HOH A . N 9 HOH 253 982 982 HOH HOH A . N 9 HOH 254 983 983 HOH HOH A . N 9 HOH 255 984 984 HOH HOH A . N 9 HOH 256 985 985 HOH HOH A . N 9 HOH 257 986 986 HOH HOH A . N 9 HOH 258 987 987 HOH HOH A . N 9 HOH 259 988 988 HOH HOH A . N 9 HOH 260 989 989 HOH HOH A . N 9 HOH 261 990 990 HOH HOH A . N 9 HOH 262 991 991 HOH HOH A . N 9 HOH 263 992 992 HOH HOH A . N 9 HOH 264 993 993 HOH HOH A . N 9 HOH 265 994 994 HOH HOH A . N 9 HOH 266 995 995 HOH HOH A . N 9 HOH 267 996 996 HOH HOH A . N 9 HOH 268 997 997 HOH HOH A . N 9 HOH 269 998 998 HOH HOH A . N 9 HOH 270 999 999 HOH HOH A . N 9 HOH 271 1000 1000 HOH HOH A . N 9 HOH 272 1001 1001 HOH HOH A . N 9 HOH 273 1002 1002 HOH HOH A . N 9 HOH 274 1003 1003 HOH HOH A . N 9 HOH 275 1004 1004 HOH HOH A . N 9 HOH 276 1005 1005 HOH HOH A . N 9 HOH 277 1006 1006 HOH HOH A . N 9 HOH 278 1007 1007 HOH HOH A . N 9 HOH 279 1008 1008 HOH HOH A . N 9 HOH 280 1009 1009 HOH HOH A . N 9 HOH 281 1010 1010 HOH HOH A . N 9 HOH 282 1011 1011 HOH HOH A . N 9 HOH 283 1013 1013 HOH HOH A . N 9 HOH 284 1014 1014 HOH HOH A . N 9 HOH 285 1015 1015 HOH HOH A . N 9 HOH 286 1016 1016 HOH HOH A . N 9 HOH 287 1017 1017 HOH HOH A . #