data_3KJ7 # _entry.id 3KJ7 # _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 3KJ7 RCSB RCSB056058 WWPDB D_1000056058 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2DWA . unspecified PDB 2DXY . unspecified PDB 3IBO . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3KJ7 _pdbx_database_status.recvd_initial_deposition_date 2009-11-03 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mir, R.' 1 'Vikram, G.' 2 'Singh, N.' 3 'Sinha, M.' 4 'Sharma, S.' 5 'Kaur, P.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title ;Specific interactions of C-terminal half (C-lobe) of lactoferrin protein with edible sugars: binding and structural studies with implications on diabetes. ; _citation.journal_abbrev Int.J.Biol.Macromol. _citation.journal_volume 47 _citation.page_first 50 _citation.page_last 59 _citation.year 2010 _citation.journal_id_ASTM IJBMDR _citation.country UK _citation.journal_id_ISSN 0141-8130 _citation.journal_id_CSD 0708 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 20371371 _citation.pdbx_database_id_DOI 10.1016/j.ijbiomac.2010.03.021 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Mir, R.' 1 primary 'Kumar, R.P.' 2 primary 'Singh, N.' 3 primary 'Vikram, G.P.' 4 primary 'Sinha, M.' 5 primary 'Bhushan, A.' 6 primary 'Kaur, P.' 7 primary 'Srinivasan, A.' 8 primary 'Sharma, S.' 9 primary 'Singh, T.P.' 10 # _cell.entry_id 3KJ7 _cell.length_a 61.810 _cell.length_b 50.134 _cell.length_c 65.545 _cell.angle_alpha 90.00 _cell.angle_beta 107.10 _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 3KJ7 _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.- ? ? ? 2 non-polymer man CELLOTRIOSE 504.437 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 6 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 7 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 8 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 9 water nat water 18.015 407 ? ? ? ? # _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,cow,domestic cattle,domestic cow' _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 3KJ7 _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 3KJ7 LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3KJ7 GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CTR D-saccharide . CELLOTRIOSE Dextrin 'C18 H32 O16' 504.437 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 3KJ7 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.58 _exptl_crystal.density_percent_sol 52.28 _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_pH_range ? _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' # _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 2009-04-22 _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 1.5418 _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 1.5418 # _reflns.entry_id 3KJ7 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 62.62 _reflns.d_resolution_high 1.91 _reflns.number_obs 29538 _reflns.number_all 29538 _reflns.percent_possible_obs 96.0 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.052 _reflns.pdbx_netI_over_sigmaI 7.5 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.91 _reflns_shell.d_res_low 1.96 _reflns_shell.percent_possible_all 99.1 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.112 _reflns_shell.meanI_over_sigI_obs 3.1 _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_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3KJ7 _refine.ls_number_reflns_obs 26864 _refine.ls_number_reflns_all 28296 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 62.62 _refine.ls_d_res_high 1.91 _refine.ls_percent_reflns_obs 94.54 _refine.ls_R_factor_obs 0.21068 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.20854 _refine.ls_R_factor_R_free 0.24106 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 1432 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.921 _refine.correlation_coeff_Fo_to_Fc_free 0.882 _refine.B_iso_mean 24.886 _refine.aniso_B[1][1] 1.04 _refine.aniso_B[2][2] -0.87 _refine.aniso_B[3][3] -0.52 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.58 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'pdb entry 2DWA' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.195 _refine.pdbx_overall_ESU_R_Free 0.170 _refine.overall_SU_ML 0.110 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 3.627 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2604 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 152 _refine_hist.number_atoms_solvent 407 _refine_hist.number_atoms_total 3163 _refine_hist.d_res_high 1.91 _refine_hist.d_res_low 62.62 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.009 0.022 ? 2820 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.283 2.011 ? 3838 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.850 5.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 37.638 25.169 ? 118 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 16.687 15.000 ? 448 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 19.169 15.000 ? 12 'X-RAY DIFFRACTION' ? r_chiral_restr 0.088 0.200 ? 453 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.020 ? 2033 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.197 0.200 ? 1358 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.303 0.200 ? 1914 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.117 0.200 ? 345 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.040 0.200 ? 2 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.237 0.200 ? 43 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.246 0.200 ? 20 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.699 1.500 ? 1740 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.164 2.000 ? 2699 'X-RAY DIFFRACTION' ? r_scbond_it 1.590 3.000 ? 1200 'X-RAY DIFFRACTION' ? r_scangle_it 2.473 4.500 ? 1139 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.91 _refine_ls_shell.d_res_low 1.962 _refine_ls_shell.number_reflns_R_work 1694 _refine_ls_shell.R_factor_R_work 0.253 _refine_ls_shell.percent_reflns_obs 80.75 _refine_ls_shell.R_factor_R_free 0.367 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 85 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.entry_id 3KJ7 _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? # _struct.entry_id 3KJ7 _struct.title 'Crystal Structure of the Complex of C-lobe of Bovine Lactoferrin with Dextrin at 1.9 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 3KJ7 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text ;COMPLEX, DEXTRIN, C-LOBE, Antibiotic, Antimicrobial, Disulfide bond, Glycoprotein, Hydrolase, Ion transport, Iron, Iron transport, Metal-binding, Phosphoprotein, Protease, Secreted, Serine protease, Transport ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 3 ? I N N 3 ? J N N 4 ? K N N 5 ? L N N 6 ? M N N 6 ? N N N 7 ? O N N 8 ? P N N 9 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P5 5 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P6 6 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P7 7 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P8 8 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P9 9 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P10 10 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P11 11 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P12 12 GLY A 321 ? LYS A 333 ? GLY A 662 LYS A 674 1 ? 13 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.053 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.040 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.019 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.029 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.024 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.037 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.032 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 1.995 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.045 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.032 ? covale1 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 3 A NAG 4 1_555 ? ? ? ? ? ? ? 1.442 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 476 A NAG 3 1_555 ? ? ? ? ? ? ? 1.444 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 545 A NAG 8 1_555 ? ? ? ? ? ? ? 1.445 ? covale4 covale ? ? F NAG . O4 ? ? ? 1_555 G MAN . C1 ? ? A NAG 4 A MAN 5 1_555 ? ? ? ? ? ? ? 1.447 ? covale5 covale ? ? A ASN 27 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 368 A NAG 687 1_555 ? ? ? ? ? ? ? 1.448 ? covale6 covale ? ? D NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 687 A NAG 2 1_555 ? ? ? ? ? ? ? 1.449 ? covale7 covale ? ? I NAG . O4 ? ? ? 1_555 J MAN . C1 ? ? A NAG 9 A MAN 10 1_555 ? ? ? ? ? ? ? 1.449 ? covale8 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 8 A NAG 9 1_555 ? ? ? ? ? ? ? 1.450 ? metalc1 metalc ? ? M ZN . ZN ? ? ? 1_555 P HOH . O ? ? A ZN 82 A HOH 893 1_555 ? ? ? ? ? ? ? 1.965 ? metalc2 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 L ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.009 ? metalc3 metalc ? ? A TYR 185 OH ? ? ? 1_555 N FE . FE ? ? A TYR 526 A FE 84 1_555 ? ? ? ? ? ? ? 2.019 ? metalc4 metalc ? ? A TYR 92 OH ? ? ? 1_555 N FE . FE ? ? A TYR 433 A FE 84 1_555 ? ? ? ? ? ? ? 2.027 ? metalc5 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 M ZN . ZN ? ? A HIS 588 A ZN 82 1_555 ? ? ? ? ? ? ? 2.046 ? metalc6 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 N FE . FE ? ? A ASP 395 A FE 84 1_555 ? ? ? ? ? ? ? 2.165 ? metalc7 metalc ? ? N FE . FE ? ? ? 1_555 O CO3 . O2 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.184 ? metalc8 metalc ? ? N FE . FE ? ? ? 1_555 O CO3 . O1 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.188 ? metalc9 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 L ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.197 ? metalc10 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 N FE . FE ? ? A HIS 595 A FE 84 1_555 ? ? ? ? ? ? ? 2.354 ? metalc11 metalc ? ? M ZN . ZN ? ? ? 1_555 P HOH . O ? ? A ZN 82 A HOH 1240 1_555 ? ? ? ? ? ? ? 2.370 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? SER A 258 ? ALA A 596 SER A 599 B 3 VAL A 67 ? ASN A 73 ? VAL A 408 ASN A 414 B 4 CYS A 306 ? 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 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N VAL A 4 ? N VAL A 345 O THR A 29 ? O THR A 370 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O SER A 258 ? O SER A 599 N VAL A 67 ? N VAL A 408 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O 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 ? ? ? ? 13 'BINDING SITE FOR RESIDUE CTR A 1' AC2 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE NAG A 687' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 2' AC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 3' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 4' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 5' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 8' AC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 9' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 10' BC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 68' BC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE ZN A 81' BC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE ZN A 82' BC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 84' BC5 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 85' # 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 13 GLU A 90 ? GLU A 431 . ? 1_555 ? 2 AC1 13 VAL A 250 ? VAL A 591 . ? 1_555 ? 3 AC1 13 ALA A 251 ? ALA A 592 . ? 1_555 ? 4 AC1 13 GLU A 318 ? GLU A 659 . ? 1_555 ? 5 AC1 13 TYR A 319 ? TYR A 660 . ? 1_555 ? 6 AC1 13 LEU A 320 ? LEU A 661 . ? 1_555 ? 7 AC1 13 GLY A 321 ? GLY A 662 . ? 1_555 ? 8 AC1 13 THR A 322 ? THR A 663 . ? 1_555 ? 9 AC1 13 GLU A 323 ? GLU A 664 . ? 1_555 ? 10 AC1 13 HOH P . ? HOH A 929 . ? 1_555 ? 11 AC1 13 HOH P . ? HOH A 1018 . ? 1_555 ? 12 AC1 13 HOH P . ? HOH A 1071 . ? 1_555 ? 13 AC1 13 HOH P . ? HOH A 1115 . ? 1_555 ? 14 AC2 10 NAG C . ? NAG A 2 . ? 1_555 ? 15 AC2 10 SER A 24 ? SER A 365 . ? 1_555 ? 16 AC2 10 ASN A 27 ? ASN A 368 . ? 1_555 ? 17 AC2 10 HIS A 272 ? HIS A 613 . ? 1_555 ? 18 AC2 10 GLN A 273 ? GLN A 614 . ? 1_555 ? 19 AC2 10 HOH P . ? HOH A 908 . ? 1_555 ? 20 AC2 10 HOH P . ? HOH A 972 . ? 1_555 ? 21 AC2 10 HOH P . ? HOH A 1039 . ? 1_555 ? 22 AC2 10 HOH P . ? HOH A 1074 . ? 1_555 ? 23 AC2 10 HOH P . ? HOH A 1113 . ? 1_555 ? 24 AC3 2 NAG D . ? NAG A 687 . ? 1_555 ? 25 AC3 2 HOH P . ? HOH A 908 . ? 1_555 ? 26 AC4 8 NAG F . ? NAG A 4 . ? 1_555 ? 27 AC4 8 ASN A 135 ? ASN A 476 . ? 1_555 ? 28 AC4 8 ASN A 330 ? ASN A 671 . ? 1_555 ? 29 AC4 8 HOH P . ? HOH A 939 . ? 1_555 ? 30 AC4 8 HOH P . ? HOH A 1072 . ? 1_555 ? 31 AC4 8 HOH P . ? HOH A 1107 . ? 1_555 ? 32 AC4 8 HOH P . ? HOH A 1114 . ? 1_555 ? 33 AC4 8 HOH P . ? HOH A 1181 . ? 1_555 ? 34 AC5 3 NAG E . ? NAG A 3 . ? 1_555 ? 35 AC5 3 MAN G . ? MAN A 5 . ? 1_555 ? 36 AC5 3 ASN A 330 ? ASN A 671 . ? 1_555 ? 37 AC6 3 NAG F . ? NAG A 4 . ? 1_555 ? 38 AC6 3 HOH P . ? HOH A 1065 . ? 1_555 ? 39 AC6 3 HOH P . ? HOH A 1150 . ? 1_555 ? 40 AC7 6 NAG I . ? NAG A 9 . ? 1_555 ? 41 AC7 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 42 AC7 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 43 AC7 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 44 AC7 6 HOH P . ? HOH A 1210 . ? 1_555 ? 45 AC7 6 HOH P . ? HOH A 1215 . ? 1_555 ? 46 AC8 6 NAG H . ? NAG A 8 . ? 1_555 ? 47 AC8 6 MAN J . ? MAN A 10 . ? 1_555 ? 48 AC8 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 49 AC8 6 GLU A 214 ? GLU A 555 . ? 1_555 ? 50 AC8 6 HOH P . ? HOH A 1014 . ? 1_555 ? 51 AC8 6 HOH P . ? HOH A 1073 . ? 1_555 ? 52 AC9 3 NAG I . ? NAG A 9 . ? 1_555 ? 53 AC9 3 LYS A 75 ? LYS A 416 . ? 1_555 ? 54 AC9 3 HOH P . ? HOH A 1233 . ? 1_555 ? 55 BC1 6 ARG A 229 ? ARG A 570 . ? 1_555 ? 56 BC1 6 ARG A 237 ? ARG A 578 . ? 1_555 ? 57 BC1 6 HOH P . ? HOH A 944 . ? 1_555 ? 58 BC1 6 HOH P . ? HOH A 957 . ? 1_555 ? 59 BC1 6 HOH P . ? HOH A 1070 . ? 1_555 ? 60 BC1 6 HOH P . ? HOH A 1241 . ? 1_555 ? 61 BC2 1 GLU A 318 ? GLU A 659 . ? 1_555 ? 62 BC3 3 HIS A 247 ? HIS A 588 . ? 1_555 ? 63 BC3 3 HOH P . ? HOH A 893 . ? 1_555 ? 64 BC3 3 HOH P . ? HOH A 1240 . ? 1_555 ? 65 BC4 5 CO3 O . ? CO3 A 85 . ? 1_555 ? 66 BC4 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 67 BC4 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 68 BC4 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 69 BC4 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 70 BC5 10 FE N . ? FE A 84 . ? 1_555 ? 71 BC5 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 72 BC5 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 73 BC5 10 THR A 118 ? THR A 459 . ? 1_555 ? 74 BC5 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 75 BC5 10 THR A 123 ? THR A 464 . ? 1_555 ? 76 BC5 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 77 BC5 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 78 BC5 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 79 BC5 10 HIS A 254 ? HIS A 595 . ? 1_555 ? # _database_PDB_matrix.entry_id 3KJ7 _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 3KJ7 _atom_sites.fract_transf_matrix[1][1] 0.016179 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004977 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019947 _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] 0.015962 _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 ? 8.903 13.054 31.292 1.00 40.72 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 7.527 12.886 30.739 1.00 40.39 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 7.518 12.112 29.423 1.00 39.45 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 6.546 11.422 29.115 1.00 39.36 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 6.868 14.251 30.506 1.00 41.04 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 6.657 15.091 31.747 1.00 42.03 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 7.484 16.180 32.022 1.00 42.47 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 5.620 14.811 32.638 1.00 42.25 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 7.292 16.964 33.157 1.00 43.00 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 5.419 15.588 33.776 1.00 42.59 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 6.258 16.662 34.029 1.00 42.76 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 6.065 17.433 35.152 1.00 42.95 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 8.614 12.215 28.671 1.00 38.17 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 8.658 11.859 27.241 1.00 36.74 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 8.559 10.364 26.866 1.00 34.99 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 9.163 9.919 25.884 1.00 35.69 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 9.874 12.543 26.529 1.00 37.05 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 9.836 12.271 25.121 1.00 38.16 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 11.209 12.070 27.114 1.00 37.14 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 7.781 9.601 27.632 1.00 32.54 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 7.499 8.204 27.291 1.00 30.33 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 6.016 7.856 27.430 1.00 27.67 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 5.437 7.967 28.515 1.00 26.97 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 8.378 7.245 28.100 1.00 31.14 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 9.720 6.960 27.442 1.00 33.80 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 10.555 5.972 28.244 1.00 37.56 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 11.641 5.405 27.444 1.00 40.06 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 12.839 5.963 27.280 1.00 41.20 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 13.133 7.121 27.861 1.00 42.27 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 13.751 5.359 26.530 1.00 42.73 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 5.416 7.442 26.316 1.00 24.90 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 4.022 7.033 26.131 1.00 22.21 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 3.887 5.511 26.177 1.00 20.39 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 4.651 4.793 25.530 1.00 19.61 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 3.442 7.561 24.785 1.00 22.16 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 1.958 7.228 24.658 1.00 22.64 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 3.653 9.061 24.654 1.00 22.68 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 2.927 5.307 27.070 1.00 18.38 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 2.501 3.930 27.228 1.00 16.89 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 1.159 3.704 26.518 1.00 15.96 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 0.096 4.119 26.995 1.00 14.79 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 2.409 3.529 28.722 1.00 17.03 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 2.024 2.065 28.869 1.00 17.05 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 3.741 3.825 29.438 1.00 16.33 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 1.226 3.022 25.386 1.00 14.98 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 0.028 2.667 24.622 1.00 14.74 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? -0.646 1.435 25.218 1.00 14.87 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 0.022 0.597 25.837 1.00 14.81 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 0.406 2.386 23.169 1.00 14.47 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? -0.705 2.695 22.236 1.00 14.58 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? -1.509 1.803 21.601 1.00 14.97 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? -1.161 3.996 21.854 1.00 13.70 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? -2.419 2.462 20.822 1.00 13.67 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? -2.237 3.811 20.963 1.00 13.97 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? -0.752 5.304 22.167 1.00 14.41 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? -2.924 4.882 20.383 1.00 13.82 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? -1.437 6.371 21.596 1.00 14.46 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? -2.502 6.154 20.704 1.00 15.00 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? -1.965 1.313 25.037 1.00 14.73 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? -2.660 0.105 25.483 1.00 14.46 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? -3.179 -0.700 24.298 1.00 14.72 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? -4.000 -0.216 23.513 1.00 13.79 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? -3.797 0.407 26.463 1.00 14.66 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? -4.298 -1.080 27.389 1.00 14.43 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? -2.672 -1.925 24.171 1.00 14.33 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? -3.066 -2.816 23.095 1.00 14.70 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? -4.124 -3.795 23.584 1.00 14.65 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? -4.014 -4.333 24.683 1.00 14.98 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? -1.857 -3.564 22.576 1.00 14.54 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? -5.144 -4.015 22.761 1.00 14.50 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? -6.242 -4.921 23.099 1.00 14.57 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? -6.006 -6.285 22.432 1.00 14.46 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? -6.145 -6.424 21.213 1.00 14.23 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? -7.629 -4.329 22.692 1.00 14.29 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? -8.771 -5.234 23.155 1.00 15.72 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? -7.802 -2.913 23.272 1.00 14.38 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? -5.648 -7.281 23.243 1.00 14.33 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? -5.459 -8.659 22.764 1.00 14.80 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? -4.049 -8.845 22.216 1.00 14.90 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? -3.340 -7.859 22.026 1.00 14.80 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? -3.637 -10.103 21.956 1.00 15.61 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? -2.232 -10.386 21.571 1.00 16.16 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? -1.773 -9.866 20.205 1.00 16.37 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? -0.571 -9.625 20.024 1.00 16.25 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? -2.164 -11.915 21.600 1.00 16.27 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? -3.564 -12.346 21.289 1.00 16.96 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? -4.430 -11.345 22.041 1.00 15.56 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? -2.696 -9.716 19.251 1.00 16.44 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? -2.323 -9.269 17.902 1.00 16.90 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? -1.955 -7.789 17.916 1.00 16.19 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? -0.930 -7.393 17.343 1.00 15.64 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? -3.421 -9.575 16.869 1.00 16.94 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? -3.598 -11.077 16.567 1.00 18.38 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? -4.577 -11.363 15.438 1.00 19.33 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? -5.574 -10.629 15.279 1.00 22.66 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? -4.349 -12.342 14.693 1.00 25.42 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? -2.775 -6.973 18.587 1.00 15.60 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? -2.443 -5.565 18.809 1.00 15.37 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? -1.150 -5.433 19.628 1.00 16.18 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? -0.351 -4.529 19.372 1.00 15.80 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? -3.595 -4.820 19.508 1.00 15.58 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? -4.810 -4.565 18.618 1.00 14.00 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? -5.654 -3.368 19.056 1.00 14.87 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? -5.521 -2.899 20.210 1.00 12.89 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? -6.459 -2.897 18.228 1.00 13.61 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? -0.958 -6.321 20.607 1.00 16.50 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 0.279 -6.324 21.408 1.00 17.98 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 1.508 -6.499 20.511 1.00 17.34 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 2.483 -5.784 20.669 1.00 17.30 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 0.273 -7.404 22.498 1.00 17.76 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 1.558 -7.402 23.344 1.00 19.28 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 1.735 -8.629 24.218 1.00 21.01 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 1.571 -9.767 23.764 1.00 28.11 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 2.106 -8.407 25.479 1.00 24.69 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 1.442 -7.444 19.573 1.00 17.76 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 2.551 -7.689 18.642 1.00 18.42 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 2.898 -6.449 17.810 1.00 18.17 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 4.070 -6.066 17.717 1.00 18.70 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 2.259 -8.901 17.746 1.00 19.04 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 3.348 -9.170 16.712 1.00 21.16 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 3.509 -10.645 16.395 1.00 25.69 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 2.932 -10.979 15.040 1.00 28.22 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 3.262 -12.375 14.620 1.00 29.94 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 1.877 -5.815 17.226 1.00 17.51 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 2.056 -4.586 16.456 1.00 17.01 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 2.637 -3.464 17.311 1.00 16.74 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 3.550 -2.752 16.873 1.00 17.19 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 0.736 -4.134 15.831 1.00 16.60 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 0.844 -2.839 15.043 1.00 15.40 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? -0.405 -2.545 14.256 1.00 14.30 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? -0.167 -1.382 13.294 1.00 13.74 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? -1.344 -0.985 12.485 1.00 13.76 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 2.093 -3.303 18.512 1.00 16.69 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 2.569 -2.306 19.457 1.00 16.86 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 4.046 -2.523 19.775 1.00 16.61 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 4.807 -1.561 19.839 1.00 16.53 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 1.745 -2.335 20.751 1.00 16.93 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 2.120 -0.989 21.905 1.00 18.05 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 4.436 -3.776 20.003 0.50 16.43 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 5.837 -4.107 20.288 0.50 17.13 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 6.765 -3.687 19.145 0.50 17.44 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 7.858 -3.178 19.378 0.50 17.15 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 5.995 -5.601 20.592 0.50 16.62 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 5.483 -6.020 21.964 0.50 17.04 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 5.412 -7.533 22.145 0.50 17.59 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 5.787 -8.301 21.254 0.50 19.16 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 4.928 -7.965 23.304 0.50 18.29 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 6.310 -3.898 17.913 1.00 18.79 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 7.054 -3.501 16.712 1.00 20.16 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 7.218 -1.986 16.647 1.00 19.72 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 8.306 -1.487 16.354 1.00 18.96 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 6.352 -3.998 15.447 1.00 19.90 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 6.630 -5.454 15.113 1.00 22.50 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 6.117 -5.850 13.743 1.00 23.96 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 6.558 -5.322 12.721 1.00 29.42 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 5.191 -6.799 13.713 1.00 28.03 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 6.119 -1.272 16.908 1.00 19.23 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 6.099 0.190 17.007 1.00 19.42 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 7.061 0.683 18.085 1.00 20.21 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 7.810 1.644 17.861 1.00 19.78 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 4.663 0.666 17.299 1.00 18.69 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 4.483 2.164 17.390 1.00 18.57 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 5.315 3.139 16.899 1.00 17.63 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 3.374 2.851 17.988 1.00 17.36 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 4.804 4.388 17.182 1.00 17.63 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 3.607 4.237 17.839 1.00 17.51 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 2.204 2.426 18.638 1.00 17.86 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 2.715 5.202 18.309 1.00 18.15 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 1.312 3.395 19.114 1.00 17.90 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 1.579 4.766 18.945 1.00 17.92 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 7.036 0.018 19.244 1.00 20.97 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 7.917 0.356 20.373 1.00 22.07 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 9.407 0.263 20.001 1.00 23.12 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 10.182 1.184 20.293 1.00 22.84 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 7.607 -0.533 21.587 1.00 21.71 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 8.360 -0.140 22.728 1.00 21.38 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 9.792 -0.846 19.366 1.00 24.21 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 11.171 -1.043 18.904 1.00 25.74 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 11.585 0.073 17.946 1.00 25.53 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 12.628 0.703 18.129 1.00 25.22 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 11.348 -2.417 18.236 1.00 25.97 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 12.760 -2.640 17.641 1.00 28.01 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 12.962 -4.009 16.998 1.00 28.43 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 12.005 -4.722 16.691 1.00 33.76 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 14.227 -4.375 16.781 1.00 32.23 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 10.739 0.340 16.952 1.00 25.31 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 11.042 1.334 15.928 1.00 25.28 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 11.045 2.774 16.436 1.00 25.02 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 11.751 3.617 15.886 1.00 24.22 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 10.107 1.174 14.726 1.00 25.61 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 10.236 -0.190 14.033 1.00 27.54 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 11.630 -0.421 13.467 1.00 30.59 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 12.175 0.438 12.781 1.00 32.41 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 12.218 -1.576 13.774 1.00 31.84 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 10.267 3.050 17.481 1.00 24.47 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 10.209 4.391 18.062 1.00 24.69 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 11.369 4.690 19.019 1.00 24.88 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 11.432 5.786 19.585 1.00 24.96 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 8.887 4.599 18.805 1.00 24.57 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 8.923 3.962 20.068 1.00 24.49 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 12.268 3.721 19.207 1.00 25.23 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 13.370 3.857 20.167 1.00 25.98 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 12.873 3.996 21.597 1.00 26.53 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 13.431 4.757 22.385 1.00 26.39 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 11.806 3.258 21.916 1.00 26.75 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 11.182 3.242 23.253 1.00 27.16 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 10.475 4.536 23.658 1.00 26.20 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 10.083 4.679 24.816 1.00 26.86 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 12.180 2.825 24.344 1.00 27.66 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 12.908 1.507 24.086 1.00 30.87 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 11.986 0.307 24.110 1.00 34.38 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 11.946 -0.470 23.155 1.00 36.93 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 11.236 0.148 25.200 1.00 35.62 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 10.299 5.466 22.719 1.00 25.28 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 9.482 6.659 22.966 1.00 24.75 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 8.035 6.263 23.214 1.00 23.69 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 7.283 6.984 23.874 1.00 23.36 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 9.544 7.643 21.797 1.00 24.98 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 10.868 8.403 21.732 1.00 27.75 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 11.687 8.326 22.654 1.00 27.56 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 11.080 9.127 20.619 1.00 30.95 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 7.658 5.126 22.634 1.00 22.50 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 6.372 4.489 22.877 1.00 21.57 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 6.674 3.107 23.442 1.00 21.10 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 7.589 2.412 22.968 1.00 20.73 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 5.515 4.376 21.581 1.00 21.51 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 4.258 3.514 21.822 1.00 21.38 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 5.116 5.763 21.067 1.00 21.89 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 5.942 2.735 24.486 1.00 20.17 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 6.003 1.390 25.033 1.00 19.83 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 4.589 0.853 25.160 1.00 19.49 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 3.632 1.569 24.883 1.00 18.90 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 6.717 1.342 26.392 1.00 20.04 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 5.993 2.139 27.338 1.00 19.70 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 8.165 1.846 26.253 1.00 20.00 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 4.469 -0.404 25.577 1.00 19.55 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 3.219 -1.135 25.438 1.00 19.74 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 2.702 -1.743 26.737 1.00 19.68 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 3.450 -2.353 27.505 1.00 20.76 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 3.362 -2.223 24.372 1.00 19.93 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 3.862 -1.588 22.782 1.00 20.58 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 1.420 -1.519 26.984 1.00 18.83 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 0.664 -2.250 27.983 1.00 18.10 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? -0.383 -3.012 27.186 1.00 17.85 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? -0.791 -2.553 26.113 1.00 17.15 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 0.012 -1.292 28.962 1.00 17.89 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? -0.808 -4.172 27.677 1.00 17.42 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? -1.833 -4.949 26.973 1.00 17.40 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? -2.921 -5.444 27.924 1.00 17.03 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? -2.641 -5.767 29.080 1.00 16.86 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? -1.211 -6.117 26.172 1.00 17.88 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? -0.186 -5.723 25.245 1.00 20.19 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? -2.397 -6.624 25.379 1.00 16.85 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? -4.160 -5.478 27.429 1.00 16.27 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? -5.304 -6.027 28.177 1.00 15.84 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? -6.197 -6.844 27.243 1.00 15.49 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? -6.067 -6.745 26.022 1.00 14.97 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? -6.102 -4.896 28.840 1.00 15.87 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? -7.111 -7.632 27.816 1.00 15.54 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? -7.971 -8.533 27.026 1.00 15.23 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? -9.119 -7.827 26.311 1.00 14.48 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? -9.604 -8.293 25.275 1.00 13.82 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? -8.539 -9.650 27.911 1.00 15.50 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? -7.577 -10.674 28.094 1.00 18.16 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? -9.572 -6.713 26.875 1.00 13.73 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? -10.698 -5.986 26.305 1.00 13.19 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? -10.451 -4.477 26.286 1.00 13.10 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? -9.582 -3.971 27.010 1.00 12.97 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? -12.010 -6.274 27.076 1.00 13.21 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? -11.969 -5.612 28.350 1.00 13.18 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? -12.215 -7.790 27.283 1.00 13.00 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? -11.223 -3.765 25.465 1.00 12.31 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? -11.119 -2.306 25.413 1.00 12.39 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? -11.438 -1.704 26.790 1.00 12.06 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? -10.698 -0.836 27.287 1.00 11.46 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? -12.003 -1.691 24.305 1.00 12.02 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? -11.663 -2.277 23.042 1.00 13.27 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? -11.788 -0.159 24.209 1.00 12.99 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? -12.508 -2.192 27.422 1.00 11.90 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? -12.846 -1.762 28.782 1.00 12.46 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? -11.697 -1.918 29.770 1.00 11.88 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? -11.463 -1.036 30.595 1.00 11.46 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? -14.095 -2.490 29.301 1.00 12.79 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? -15.376 -1.900 28.763 1.00 13.86 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? -15.312 -0.915 28.002 1.00 15.29 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? -16.458 -2.417 29.104 1.00 15.88 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? -10.976 -3.034 29.685 1.00 12.28 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? -9.824 -3.268 30.561 1.00 12.44 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? -8.692 -2.259 30.282 1.00 12.50 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? -8.040 -1.776 31.220 1.00 12.39 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? -9.306 -4.704 30.436 1.00 12.57 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? -10.211 -5.744 31.110 1.00 14.32 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? -11.227 -5.394 31.737 1.00 13.62 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? -9.874 -6.941 31.015 1.00 16.69 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? -8.464 -1.947 29.002 1.00 12.46 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? -7.509 -0.898 28.609 1.00 12.44 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? -7.877 0.481 29.169 1.00 12.05 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? -7.013 1.209 29.656 1.00 12.96 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? -7.334 -0.837 27.078 1.00 12.26 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? -5.938 -1.816 26.398 1.00 12.40 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? -9.155 0.845 29.097 1.00 11.97 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? -9.629 2.094 29.689 1.00 11.67 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? -9.304 2.133 31.191 1.00 12.12 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? -8.806 3.142 31.689 1.00 12.10 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? -11.144 2.332 29.406 1.00 12.07 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? -11.367 2.545 27.898 1.00 11.29 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? -11.678 3.528 30.223 1.00 11.35 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? -12.841 2.462 27.459 1.00 11.02 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? -9.550 1.018 31.886 1.00 11.64 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? -9.218 0.886 33.316 1.00 11.95 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? -7.707 1.094 33.561 1.00 11.69 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? -7.318 1.878 34.441 1.00 11.67 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? -9.776 -0.440 33.909 1.00 11.39 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? -9.182 -0.746 35.277 1.00 12.14 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? -11.305 -0.343 34.036 1.00 11.67 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? -6.859 0.456 32.753 1.00 11.07 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? -5.407 0.699 32.875 1.00 10.96 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? -5.065 2.183 32.747 1.00 10.96 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? -4.262 2.708 33.524 1.00 10.89 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? -4.593 -0.117 31.877 1.00 10.37 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? -4.557 -1.641 32.052 1.00 10.30 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? -3.570 -2.243 31.063 1.00 9.11 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? -4.175 -2.008 33.501 1.00 10.64 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? -5.663 2.850 31.764 1.00 11.29 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? -5.467 4.293 31.600 1.00 11.79 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? -5.959 5.050 32.848 1.00 12.34 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? -5.240 5.900 33.375 1.00 12.19 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? -6.092 4.839 30.284 1.00 11.85 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? -5.879 6.352 30.172 1.00 11.54 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? -5.456 4.162 29.081 1.00 10.16 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? -7.158 4.717 33.339 1.00 12.41 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? -7.698 5.361 34.548 1.00 12.74 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? -6.776 5.208 35.763 1.00 13.18 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? -6.606 6.149 36.546 1.00 13.37 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? -9.121 4.848 34.870 1.00 12.85 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? -10.228 5.144 33.851 1.00 13.54 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? -11.504 4.365 34.193 1.00 13.15 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? -10.517 6.653 33.721 1.00 13.90 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? -6.165 4.037 35.902 1.00 13.74 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? -5.207 3.768 36.994 1.00 14.19 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? -3.846 4.451 36.796 1.00 14.41 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? -3.052 4.530 37.730 1.00 15.10 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? -4.979 2.258 37.152 1.00 13.71 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? -6.189 1.449 37.650 1.00 13.28 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? -5.754 0.047 38.112 1.00 13.99 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? -5.417 -0.889 36.949 1.00 12.63 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? -4.905 -2.220 37.440 1.00 14.68 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? -3.587 4.933 35.585 1.00 14.85 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? -2.305 5.544 35.241 1.00 14.96 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? -1.243 4.527 34.852 1.00 14.97 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? -0.053 4.844 34.862 1.00 15.30 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? -1.676 3.309 34.512 1.00 14.35 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? -0.760 2.215 34.141 1.00 14.02 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? -0.581 2.091 32.632 1.00 14.19 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 0.242 1.296 32.133 1.00 13.80 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? -1.206 0.888 34.784 1.00 14.12 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? -0.997 0.858 36.297 1.00 13.01 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? -1.856 -0.184 36.977 1.00 14.56 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? -2.340 0.074 38.099 1.00 14.54 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? -2.054 -1.268 36.383 1.00 14.22 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? -1.381 2.868 31.903 1.00 13.44 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? -1.138 3.154 30.504 1.00 12.85 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? -1.520 4.610 30.253 1.00 12.51 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? -2.210 5.226 31.078 1.00 11.92 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? -1.937 2.241 29.616 1.00 13.65 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? -1.082 5.162 29.124 1.00 11.30 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? -1.385 6.561 28.814 1.00 11.84 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? -2.565 6.764 27.888 1.00 11.45 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? -3.343 7.703 28.066 1.00 11.97 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? -0.175 7.263 28.183 1.00 11.61 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 0.910 7.567 29.193 1.00 12.67 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 0.604 8.010 30.323 1.00 11.54 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 2.074 7.366 28.838 1.00 14.43 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? -2.677 5.921 26.867 1.00 11.29 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? -3.620 6.209 25.781 1.00 11.00 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? -3.907 5.001 24.930 1.00 10.72 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? -3.136 4.046 24.916 1.00 11.60 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? -3.077 7.334 24.889 1.00 10.74 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? -5.023 5.073 24.206 1.00 10.72 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? -5.344 4.139 23.130 1.00 10.89 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? -6.401 4.782 22.230 1.00 11.43 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? -7.071 5.757 22.621 1.00 11.58 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? -5.820 2.780 23.675 1.00 10.79 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? -7.241 2.659 24.250 1.00 10.17 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? -7.688 1.190 24.258 1.00 9.52 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? -7.338 3.247 25.667 1.00 9.71 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? -6.525 4.250 21.020 1.00 11.77 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? -7.451 4.766 20.028 1.00 12.81 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? -8.756 3.970 20.117 1.00 12.91 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? -8.725 2.736 20.211 1.00 13.68 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? -6.791 4.641 18.650 1.00 13.07 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? -7.652 5.175 17.526 1.00 14.71 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? -7.971 6.357 17.481 1.00 17.58 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? -7.995 4.311 16.588 1.00 16.56 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? -9.892 4.669 20.106 1.00 13.01 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? -11.177 4.064 20.495 1.00 13.06 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? -12.343 4.394 19.567 1.00 12.85 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? -12.514 5.550 19.186 1.00 12.25 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? -11.587 4.585 21.877 1.00 13.67 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? -10.832 4.291 23.175 1.00 14.36 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? -11.524 5.038 24.285 1.00 16.12 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? -10.848 2.824 23.470 1.00 15.04 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? -13.194 3.401 19.284 1.00 12.68 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? -14.514 3.672 18.696 1.00 12.54 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? -15.325 4.633 19.590 1.00 12.68 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? -15.111 4.679 20.799 1.00 13.11 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? -15.278 2.360 18.488 1.00 12.58 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? -16.755 2.580 18.230 1.00 12.70 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? -17.103 2.889 17.071 1.00 12.70 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? -17.561 2.475 19.188 1.00 13.16 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? -16.267 5.367 19.004 1.00 12.25 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? -17.110 6.326 19.743 1.00 11.73 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? -17.918 5.808 20.930 1.00 11.00 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? -18.072 6.506 21.928 1.00 10.55 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? -18.368 4.544 20.837 1.00 11.05 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? -19.096 3.883 21.919 1.00 11.22 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? -18.176 3.755 23.139 1.00 11.85 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? -18.596 4.014 24.270 1.00 11.64 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? -16.947 3.370 22.889 1.00 11.90 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? -15.934 3.292 23.891 1.00 12.80 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? -15.490 4.689 24.410 1.00 12.66 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? -15.173 4.844 25.529 1.00 13.30 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? -14.756 2.466 23.407 1.00 12.79 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? -14.996 0.982 23.101 1.00 13.54 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? -15.769 0.184 23.902 1.00 14.06 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? -14.397 0.390 22.019 1.00 12.94 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? -15.936 -1.167 23.632 1.00 14.77 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? -14.574 -0.911 21.725 1.00 13.07 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? -15.346 -1.720 22.538 1.00 13.99 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? -15.478 -3.039 22.217 1.00 14.90 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? -15.455 5.673 23.549 1.00 12.70 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? -15.154 7.050 23.966 1.00 12.97 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? -16.163 7.526 25.007 1.00 13.16 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? -15.809 8.219 25.968 1.00 12.92 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? -15.098 8.039 22.768 1.00 13.04 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? -13.821 7.794 21.937 1.00 12.75 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? -15.145 9.514 23.253 1.00 13.67 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? -13.821 8.439 20.553 1.00 13.17 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? -17.417 7.137 24.806 1.00 13.37 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? -18.487 7.408 25.770 1.00 14.36 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? -18.168 6.799 27.146 1.00 14.38 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? -18.228 7.502 28.159 1.00 14.54 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? -19.822 6.893 25.229 1.00 15.06 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? -21.000 7.160 26.143 1.00 16.39 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? -21.709 8.357 26.060 1.00 17.83 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? -21.400 6.211 27.091 1.00 17.36 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? -22.801 8.612 26.896 1.00 16.99 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? -22.480 6.459 27.943 1.00 18.08 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? -23.170 7.662 27.831 1.00 17.62 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? -24.238 7.904 28.657 1.00 19.24 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? -17.815 5.509 27.172 1.00 14.26 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? -17.381 4.837 28.405 1.00 14.66 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? -16.196 5.555 29.043 1.00 14.38 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? -16.217 5.856 30.234 1.00 14.74 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? -17.010 3.348 28.156 1.00 14.53 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? -18.161 2.642 27.682 1.00 15.47 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? -16.478 2.657 29.434 1.00 14.47 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? -15.166 5.817 28.240 1.00 14.41 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? -13.941 6.465 28.712 1.00 13.74 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? -14.224 7.872 29.248 1.00 13.67 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? -13.677 8.281 30.276 1.00 12.58 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? -12.908 6.518 27.584 1.00 13.48 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? -15.095 8.593 28.548 1.00 13.92 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? -15.384 9.990 28.863 1.00 14.34 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? -16.187 10.185 30.131 1.00 14.94 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? -15.999 11.182 30.849 1.00 14.40 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? -17.088 9.241 30.396 1.00 15.38 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? -17.842 9.191 31.645 1.00 16.82 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? -16.893 9.002 32.836 1.00 16.98 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? -17.191 9.419 33.964 1.00 16.87 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? -18.860 8.052 31.590 1.00 17.33 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? -20.147 8.404 30.870 1.00 20.16 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? -21.216 8.817 31.854 1.00 24.77 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? -22.381 9.500 31.161 1.00 27.36 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? -23.379 9.977 32.175 1.00 29.14 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? -15.736 8.397 32.564 1.00 16.47 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? -14.719 8.145 33.586 1.00 16.95 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? -13.634 9.225 33.635 1.00 15.84 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? -12.649 9.103 34.372 1.00 15.52 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? -14.107 6.754 33.387 1.00 17.28 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? -15.299 5.427 33.580 1.00 22.26 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? -13.822 10.283 32.853 1.00 15.14 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? -12.949 11.447 32.916 1.00 14.35 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? -11.867 11.547 31.857 1.00 14.07 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? -11.172 12.556 31.806 1.00 14.56 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? -11.733 10.533 30.999 1.00 13.89 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? -10.715 10.557 29.913 1.00 13.88 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? -11.155 11.474 28.768 1.00 13.94 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? -12.355 11.612 28.520 1.00 13.43 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? -10.430 9.144 29.385 1.00 13.63 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? -9.684 8.158 30.300 1.00 14.21 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? -9.190 6.944 29.524 1.00 14.11 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? -8.516 8.843 31.005 1.00 13.29 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? -10.191 12.092 28.078 1.00 13.37 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? -10.486 13.149 27.087 1.00 13.75 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? -10.018 12.819 25.656 1.00 13.88 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? -9.019 12.121 25.477 1.00 13.62 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? -9.934 14.559 27.541 1.00 14.06 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? -10.419 14.913 28.946 1.00 12.40 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? -8.393 14.625 27.468 1.00 13.66 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? -10.763 13.293 24.633 1.00 14.10 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? -10.280 13.111 23.256 1.00 14.15 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? -9.004 13.912 22.976 1.00 14.06 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? -8.848 15.026 23.471 1.00 13.62 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? -11.433 13.628 22.385 1.00 14.66 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? -12.316 14.426 23.286 1.00 14.67 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? -12.066 13.989 24.699 1.00 13.86 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? -8.110 13.345 22.175 1.00 13.52 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? -6.788 13.943 21.952 1.00 14.15 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? -6.534 14.274 20.467 1.00 14.55 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? -6.241 15.430 20.124 1.00 14.19 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? -5.683 13.023 22.533 1.00 14.29 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? -4.309 13.574 22.237 1.00 14.86 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? -5.884 12.856 24.049 1.00 14.44 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? -6.653 13.256 19.611 1.00 14.80 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? -6.562 13.377 18.144 1.00 15.04 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? -7.538 12.360 17.548 1.00 15.44 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? -7.819 11.331 18.175 1.00 15.21 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? -5.142 13.063 17.629 1.00 14.76 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? -3.912 13.893 18.028 1.00 15.19 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? -2.617 13.115 17.762 1.00 15.00 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? -3.851 15.256 17.346 1.00 14.40 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? -8.060 12.646 16.353 1.00 15.35 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? -9.032 11.753 15.710 1.00 15.87 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? -8.498 11.131 14.427 1.00 16.11 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? -7.734 11.773 13.684 1.00 15.48 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? -10.343 12.499 15.428 1.00 15.77 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? -8.906 9.885 14.160 1.00 16.71 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? -8.671 9.276 12.847 1.00 17.38 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? -9.244 10.164 11.741 1.00 18.97 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? -10.381 10.626 11.837 1.00 18.62 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? -9.315 7.887 12.741 1.00 17.06 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? -8.583 6.785 13.493 1.00 15.84 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? -9.113 5.399 13.164 1.00 16.31 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? -10.093 5.298 12.399 1.00 15.51 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? -8.552 4.405 13.678 1.00 13.34 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? -8.447 10.389 10.699 1.00 20.70 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? -8.890 11.110 9.505 1.00 23.48 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? -8.590 10.233 8.296 1.00 25.28 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? -7.435 9.929 8.021 1.00 25.23 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? -8.133 12.446 9.380 1.00 23.54 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? -9.015 13.609 8.923 1.00 24.68 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? -8.532 14.741 8.806 1.00 27.33 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? -10.296 13.349 8.673 1.00 25.07 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? -9.629 9.798 7.594 1.00 27.90 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? -9.441 9.022 6.370 1.00 30.53 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? -9.341 9.967 5.167 1.00 32.10 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? -9.444 11.192 5.316 1.00 32.35 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? -10.566 7.996 6.186 1.00 30.43 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? -11.942 8.512 6.531 1.00 32.61 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? -13.030 7.747 5.803 1.00 35.67 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? -14.316 8.437 5.889 1.00 38.03 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? -15.308 8.289 5.015 1.00 39.76 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? -16.445 8.958 5.185 1.00 40.36 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? -15.166 7.477 3.967 1.00 38.87 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? -9.134 9.409 3.978 1.00 34.15 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? -9.105 10.231 2.772 1.00 36.34 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? -10.497 10.768 2.438 1.00 37.56 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? -11.505 10.136 2.759 1.00 37.61 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? -8.470 9.470 1.604 1.00 36.59 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? -6.966 9.256 1.797 1.00 37.94 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? -6.225 8.957 0.504 1.00 40.54 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? -6.294 7.477 0.124 1.00 42.83 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? -7.151 6.316 -0.246 1.00 44.92 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? -10.551 11.952 1.831 1.00 39.37 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? -11.831 12.583 1.503 1.00 41.03 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? -11.810 13.274 0.138 1.00 42.19 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? -10.976 12.962 -0.715 1.00 42.41 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? -12.221 13.585 2.594 1.00 41.06 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? -11.489 14.793 2.456 1.00 41.38 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? -12.733 14.219 -0.047 1.00 43.46 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? -12.837 15.003 -1.280 1.00 44.43 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? -13.231 16.466 -1.012 1.00 44.96 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? -13.425 17.251 -1.947 1.00 45.17 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? -13.798 14.329 -2.268 1.00 44.35 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? -14.918 13.778 -1.597 1.00 45.21 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? -13.344 16.820 0.267 1.00 45.53 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? -13.510 18.216 0.681 1.00 45.99 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? -12.319 18.635 1.549 1.00 46.06 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? -11.603 17.776 2.077 1.00 46.12 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? -14.826 18.419 1.439 1.00 46.08 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? -15.384 19.833 1.319 1.00 46.76 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? -15.951 20.349 2.636 1.00 47.96 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? -16.425 21.794 2.490 1.00 48.58 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? -16.686 22.446 3.808 1.00 48.99 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? -12.122 19.951 1.692 1.00 46.10 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? -10.953 20.539 2.385 1.00 46.07 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? -9.613 20.020 1.844 1.00 45.50 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? -8.628 19.912 2.580 1.00 45.52 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? -11.043 20.351 3.908 1.00 46.31 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? -11.978 21.305 4.586 1.00 47.48 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? -13.138 20.896 5.208 1.00 48.41 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? -11.924 22.651 4.737 1.00 48.14 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? -13.758 21.947 5.714 1.00 48.80 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? -13.041 23.024 5.444 1.00 49.07 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? -9.588 19.732 0.544 1.00 45.00 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? -8.450 19.078 -0.115 1.00 44.42 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? -7.129 19.861 -0.099 1.00 43.61 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? -6.070 19.290 -0.366 1.00 43.89 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? -8.826 18.686 -1.551 1.00 44.52 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? -9.582 19.709 -2.184 1.00 45.48 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? -7.189 21.154 0.213 1.00 42.63 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? -5.984 21.992 0.264 1.00 41.45 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? -5.257 21.890 1.609 1.00 40.36 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? -4.024 21.883 1.659 1.00 40.50 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? -6.315 23.455 -0.067 1.00 41.67 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? -7.212 24.014 0.880 1.00 42.05 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? -6.028 21.806 2.690 1.00 38.77 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? -5.483 21.666 4.041 1.00 37.01 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? -4.725 20.352 4.221 1.00 35.58 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? -5.062 19.338 3.607 1.00 35.46 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? -6.605 21.747 5.084 1.00 37.09 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? -7.257 23.094 5.407 1.00 37.36 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? -8.612 22.865 6.049 1.00 37.06 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? -6.372 23.948 6.314 1.00 37.26 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? -3.702 20.380 5.070 0.50 33.78 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? -2.997 19.169 5.463 0.50 32.12 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? -3.959 18.248 6.211 0.50 31.10 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? -4.882 18.718 6.881 0.50 30.37 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? -1.799 19.515 6.349 0.50 32.14 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? -0.851 18.343 6.535 0.50 32.12 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? -0.452 17.727 5.524 0.50 32.43 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? -0.505 18.039 7.697 0.50 31.62 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? -3.745 16.940 6.081 1.00 29.82 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? -4.580 15.942 6.759 1.00 29.39 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? -4.732 16.221 8.257 1.00 29.47 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? -5.825 16.092 8.806 1.00 29.14 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? -4.031 14.528 6.535 1.00 29.02 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? -4.977 13.219 7.390 1.00 27.47 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? -3.637 16.618 8.904 1.00 29.94 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? -3.635 16.861 10.350 1.00 30.89 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? -4.527 18.047 10.744 1.00 31.59 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? -5.060 18.095 11.862 1.00 31.30 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? -2.194 17.018 10.898 1.00 30.93 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? -2.200 17.301 12.403 1.00 31.50 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? -1.387 15.758 10.620 1.00 30.53 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? -4.704 18.979 9.810 1.00 32.42 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? -5.506 20.183 10.035 1.00 33.52 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? -6.861 20.148 9.319 1.00 33.99 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? -7.679 21.063 9.470 1.00 34.34 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? -4.716 21.430 9.609 1.00 33.49 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? -3.514 21.854 10.458 1.00 34.43 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? -2.618 22.804 9.674 1.00 35.02 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? -3.961 22.500 11.768 1.00 35.62 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? -7.091 19.096 8.538 1.00 34.43 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? -8.355 18.907 7.832 1.00 34.81 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? -9.449 18.417 8.798 1.00 34.87 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? -9.225 17.474 9.557 1.00 34.94 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? -8.159 17.901 6.700 1.00 34.96 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? -9.364 17.708 5.786 1.00 36.07 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? -9.375 16.315 5.196 1.00 37.17 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? -8.182 16.038 4.404 1.00 38.53 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? -7.608 14.843 4.298 1.00 38.88 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? -8.108 13.793 4.939 1.00 39.04 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? -6.522 14.699 3.549 1.00 39.30 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? -10.644 19.010 8.788 1.00 34.83 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? -11.744 18.478 9.610 1.00 34.52 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? -12.123 17.044 9.220 1.00 34.20 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? -12.213 16.730 8.035 1.00 34.09 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? -12.906 19.439 9.321 1.00 34.63 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? -12.274 20.652 8.671 1.00 34.71 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? -11.082 20.140 7.945 1.00 34.85 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? -12.508 16.393 10.219 1.00 34.16 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? -13.000 15.022 10.025 1.00 33.86 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? -14.457 14.998 9.543 1.00 33.50 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? -15.246 15.885 9.887 1.00 33.77 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? -12.908 14.195 11.312 1.00 33.90 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? -13.717 14.805 12.322 1.00 34.38 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? -11.455 14.071 11.799 1.00 33.46 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? -14.804 13.998 8.874 1.00 32.55 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? -16.152 13.943 8.300 1.00 31.79 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? -17.086 12.908 8.925 1.00 30.35 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? -18.308 13.016 8.808 1.00 31.21 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? -16.074 13.761 6.787 1.00 32.24 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? -15.855 15.079 6.062 1.00 34.91 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? -15.200 14.908 4.714 1.00 37.56 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? -15.760 14.174 3.869 1.00 38.66 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? -14.124 15.518 4.505 1.00 40.12 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? -16.519 11.913 9.592 1.00 28.33 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? -17.325 10.879 10.230 1.00 25.23 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? -17.624 9.773 9.242 1.00 23.51 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? -17.570 9.981 8.028 1.00 24.30 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? -17.945 8.592 9.749 1.00 20.75 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? -18.216 7.470 8.875 1.00 18.44 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? -19.682 7.066 8.878 1.00 17.73 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? -20.441 7.435 9.776 1.00 17.61 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? -17.299 6.282 9.191 1.00 17.44 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? -17.338 5.774 10.620 1.00 15.72 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? -18.150 4.693 10.974 1.00 14.64 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? -16.514 6.330 11.599 1.00 16.25 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? -18.164 4.198 12.274 1.00 13.30 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? -16.522 5.849 12.909 1.00 14.80 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? -17.346 4.785 13.236 1.00 14.67 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? -17.355 4.304 14.524 1.00 12.88 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? -20.068 6.294 7.868 1.00 17.14 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? -21.458 5.902 7.685 1.00 16.60 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? -21.763 4.513 8.240 1.00 16.22 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? -21.341 3.499 7.679 1.00 15.91 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? -21.842 5.968 6.203 1.00 16.72 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? -21.759 7.342 5.528 1.00 18.10 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? -22.070 7.208 4.037 1.00 19.17 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? -22.698 8.345 6.194 1.00 18.32 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? -22.528 4.483 9.329 1.00 15.58 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? -22.986 3.237 9.916 1.00 15.16 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? -24.056 2.651 8.996 1.00 14.66 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? -25.028 3.335 8.646 1.00 14.91 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? -23.536 3.484 11.311 1.00 14.76 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? -23.851 1.405 8.573 1.00 14.17 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? -24.780 0.735 7.650 1.00 13.73 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? -25.211 -0.645 8.152 1.00 13.99 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? -24.537 -1.246 9.002 1.00 13.59 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? -24.189 0.583 6.225 1.00 13.78 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? -23.959 1.953 5.566 1.00 13.54 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? -22.895 -0.273 6.232 1.00 14.11 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? -26.333 -1.137 7.615 1.00 13.95 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? -26.740 -2.526 7.765 1.00 14.25 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? -26.605 -3.213 6.398 1.00 14.80 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? -27.146 -2.734 5.386 1.00 14.49 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? -28.178 -2.617 8.297 1.00 14.39 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? -25.854 -4.314 6.368 1.00 14.59 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? -25.498 -4.975 5.113 1.00 15.40 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? -26.047 -6.402 5.074 1.00 15.22 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? -25.982 -7.126 6.064 1.00 14.71 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? -23.961 -5.040 4.897 1.00 14.97 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? -23.653 -5.284 3.421 1.00 15.90 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? -23.262 -3.759 5.392 1.00 16.81 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? -26.568 -6.794 3.913 1.00 15.90 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? -27.095 -8.145 3.695 1.00 16.29 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? -26.613 -8.688 2.354 1.00 17.38 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? -26.005 -7.960 1.569 1.00 17.39 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? -28.649 -8.171 3.726 1.00 16.29 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? -29.170 -7.701 5.071 1.00 15.74 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? -29.244 -7.321 2.563 1.00 16.78 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? -26.835 -9.969 2.086 1.00 17.62 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? -26.638 -10.517 0.748 1.00 18.93 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? -27.726 -10.119 -0.243 1.00 18.69 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? -28.882 -10.154 0.078 1.00 18.57 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? -26.521 -12.037 0.748 1.00 18.78 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? -25.381 -12.602 1.466 1.00 20.55 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? -24.066 -12.212 0.962 1.00 21.74 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? -23.090 -13.300 1.169 1.00 19.41 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? -22.125 -12.542 1.713 1.00 21.18 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? -27.337 -9.798 -1.451 1.00 19.41 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? -28.306 -9.608 -2.524 1.00 20.66 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? -29.233 -10.838 -2.633 1.00 21.01 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? -30.422 -10.690 -2.746 1.00 21.59 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? -27.596 -9.390 -3.851 1.00 20.57 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? -28.497 -9.182 -5.023 1.00 22.38 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? -27.796 -8.926 -6.346 1.00 22.54 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? -28.759 -9.158 -7.515 1.00 26.67 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? -28.147 -9.736 -8.720 1.00 29.59 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? -28.644 -12.029 -2.550 1.00 21.29 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? -29.358 -13.305 -2.732 1.00 21.77 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? -30.381 -13.579 -1.627 1.00 22.05 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -31.289 -14.382 -1.813 1.00 22.14 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? -28.371 -14.444 -2.844 1.00 21.83 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? -30.231 -12.902 -0.486 1.00 22.34 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -31.217 -12.951 0.593 1.00 22.76 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -32.350 -11.973 0.279 1.00 23.16 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -32.467 -10.902 0.884 1.00 23.03 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? -30.550 -12.633 1.941 1.00 23.30 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -31.297 -13.215 3.123 1.00 23.86 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -32.424 -13.703 2.997 1.00 26.31 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? -30.662 -13.176 4.290 1.00 25.10 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -33.179 -12.351 -0.693 1.00 23.22 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -34.200 -11.462 -1.241 1.00 23.73 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -35.358 -11.253 -0.277 1.00 24.15 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -35.751 -12.164 0.451 1.00 24.79 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -34.712 -11.999 -2.588 1.00 23.70 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -33.623 -12.157 -3.641 1.00 23.70 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -34.111 -12.883 -4.887 1.00 24.27 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -33.268 -13.407 -5.640 1.00 24.57 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -35.336 -12.934 -5.105 1.00 26.50 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -35.888 -10.039 -0.248 1.00 23.89 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -36.995 -9.745 0.652 1.00 24.03 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -36.642 -9.486 2.109 1.00 24.00 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -37.533 -9.226 2.920 1.00 24.23 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -35.357 -9.562 2.462 1.00 23.27 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -34.930 -9.108 3.785 1.00 22.75 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -34.797 -7.595 3.761 1.00 22.31 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -34.112 -7.041 2.907 1.00 22.36 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -33.607 -9.754 4.217 1.00 22.67 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -32.998 -9.318 5.561 1.00 22.81 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -34.002 -9.400 6.701 1.00 23.07 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -31.755 -10.141 5.881 1.00 22.42 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -35.459 -6.934 4.701 1.00 21.95 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -35.385 -5.482 4.814 1.00 21.83 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -35.226 -5.117 6.282 1.00 21.69 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -35.356 -5.981 7.152 1.00 21.87 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -36.665 -4.798 4.274 1.00 21.74 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -37.772 -5.127 5.121 1.00 20.83 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -36.970 -5.233 2.829 1.00 21.86 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -34.972 -3.838 6.554 1.00 21.80 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -34.948 -3.328 7.926 1.00 22.22 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -36.158 -3.819 8.720 1.00 22.72 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -36.032 -4.188 9.889 1.00 22.71 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -34.889 -1.794 7.951 1.00 22.04 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -34.860 -1.259 9.348 1.00 22.05 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -35.911 -0.736 10.053 1.00 22.09 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -33.731 -1.245 10.237 1.00 22.24 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -35.499 -0.386 11.324 1.00 22.53 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -34.168 -0.686 11.462 1.00 21.54 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -32.391 -1.651 10.117 1.00 21.44 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -33.311 -0.517 12.560 1.00 21.75 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -31.540 -1.483 11.213 1.00 21.30 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -32.009 -0.922 12.417 1.00 21.87 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -37.318 -3.847 8.063 1.00 23.06 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -38.590 -4.212 8.700 1.00 23.62 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -38.850 -5.705 8.870 1.00 23.52 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -39.877 -6.096 9.438 1.00 24.29 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -39.764 -3.569 7.947 1.00 23.95 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -39.700 -2.054 7.956 1.00 24.14 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -39.544 -1.433 9.006 1.00 25.63 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -39.817 -1.455 6.785 1.00 25.44 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -37.947 -6.547 8.376 1.00 23.12 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -38.078 -7.990 8.610 1.00 22.62 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -36.873 -8.612 9.330 1.00 22.50 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -36.664 -9.822 9.279 1.00 21.78 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -38.475 -8.751 7.330 1.00 22.81 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -37.559 -8.588 6.256 1.00 22.17 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -36.067 -7.880 10.054 1.00 22.45 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -34.911 -8.326 10.849 1.00 22.48 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -35.264 -9.192 12.065 1.00 22.65 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -34.464 -10.039 12.471 1.00 23.00 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -34.100 -7.112 11.312 1.00 22.25 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -33.358 -6.156 10.358 1.00 23.20 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -32.712 -4.927 11.004 1.00 22.52 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -32.361 -6.928 9.475 1.00 22.24 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -36.393 -8.907 12.632 1.00 22.88 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -36.748 -9.736 13.793 1.00 22.78 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -36.588 -11.228 13.506 1.00 22.32 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -36.981 -11.703 12.441 1.00 21.54 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -38.169 -9.456 14.301 1.00 23.74 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -38.302 -9.744 15.798 1.00 25.42 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -39.692 -10.210 16.214 1.00 28.88 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -39.768 -10.403 17.735 1.00 29.39 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -38.627 -11.210 18.303 1.00 32.08 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -35.997 -11.938 14.472 1.00 21.61 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -35.725 -13.388 14.413 1.00 21.29 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -34.703 -13.846 13.344 1.00 20.15 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -34.577 -15.046 13.063 1.00 19.81 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -37.028 -14.207 14.348 1.00 22.07 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -37.925 -13.987 15.564 1.00 24.46 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -39.133 -14.291 15.474 1.00 29.06 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -37.442 -13.491 16.605 1.00 28.73 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -33.967 -12.901 12.768 1.00 18.94 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -32.892 -13.250 11.828 1.00 17.77 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -31.566 -13.381 12.588 1.00 17.34 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -31.546 -13.225 13.811 1.00 17.49 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -32.798 -12.222 10.698 1.00 17.77 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -34.096 -12.044 9.874 1.00 18.63 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -34.566 -13.358 9.245 1.00 18.91 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -35.753 -13.126 8.305 1.00 20.63 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -36.940 -12.615 9.044 1.00 21.94 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? -30.516 -13.618 11.898 1.00 16.04 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? -29.194 -13.822 12.440 1.00 16.15 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? -28.289 -12.626 12.164 1.00 15.15 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? -28.174 -12.248 11.041 1.00 14.73 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? -28.533 -15.076 11.822 1.00 16.18 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? -29.203 -16.399 12.222 1.00 17.00 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? -28.518 -17.620 11.736 1.00 17.63 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? -28.691 -17.817 10.273 1.00 22.35 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? -28.167 -18.997 9.578 1.00 24.51 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? -27.677 -12.085 13.260 1.00 14.50 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? -26.939 -10.826 13.124 1.00 13.78 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? -25.441 -10.922 13.449 1.00 13.58 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? -25.012 -11.752 14.264 1.00 13.75 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? -27.590 -9.726 13.967 1.00 13.67 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? -27.524 -10.027 15.360 1.00 13.21 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? -24.673 -10.038 12.821 1.00 12.41 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? -23.227 -9.933 13.036 1.00 12.27 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? -22.905 -8.501 13.436 1.00 11.50 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? -23.224 -7.558 12.707 1.00 11.59 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? -22.465 -10.286 11.761 1.00 11.87 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? -22.971 -11.842 10.959 1.00 14.50 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? -22.261 -8.355 14.587 1.00 11.29 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? -21.979 -7.057 15.193 1.00 11.41 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? -20.492 -6.960 15.455 1.00 11.11 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? -19.875 -7.961 15.785 1.00 11.01 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? -22.693 -6.938 16.542 1.00 11.82 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? -24.159 -7.233 16.492 1.00 11.81 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? -25.116 -6.241 16.522 1.00 13.38 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? -24.835 -8.406 16.451 1.00 13.04 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? -26.318 -6.791 16.496 1.00 14.18 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? -26.176 -8.103 16.450 1.00 12.89 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? -19.931 -5.760 15.309 1.00 11.12 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? -18.496 -5.529 15.586 1.00 10.89 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? -18.130 -5.939 17.017 1.00 10.57 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? -17.193 -6.720 17.224 1.00 10.25 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? -18.078 -4.048 15.327 1.00 10.65 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? -18.876 -3.177 16.130 1.00 11.09 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? -18.260 -3.660 13.857 1.00 11.17 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? -18.882 -5.403 17.985 1.00 10.57 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? -18.810 -5.740 19.417 1.00 10.35 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? -19.919 -4.990 20.140 1.00 10.87 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? -20.376 -3.966 19.654 1.00 11.30 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? -17.454 -5.345 20.025 1.00 10.06 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? -20.348 -5.506 21.292 1.00 11.16 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? -21.182 -4.743 22.235 1.00 12.21 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? -20.495 -3.402 22.537 1.00 12.42 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? -19.261 -3.340 22.615 1.00 11.50 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? -21.434 -5.558 23.536 1.00 12.20 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? -22.062 -4.699 24.656 1.00 13.39 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? -22.363 -6.741 23.227 1.00 12.32 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? -21.299 -2.339 22.639 1.00 12.80 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? -20.851 -0.990 23.017 1.00 13.33 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? -20.208 -0.181 21.878 1.00 13.18 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? -19.926 1.009 22.048 1.00 13.18 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? -19.907 -1.009 24.242 1.00 13.69 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? -20.636 -1.130 25.564 1.00 15.09 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? -21.885 -1.105 25.592 1.00 16.64 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? -19.936 -1.257 26.593 1.00 14.03 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? -19.982 -0.796 20.719 1.00 12.97 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? -19.416 -0.055 19.586 1.00 12.89 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? -20.486 0.694 18.771 1.00 12.33 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? -21.657 0.319 18.798 1.00 12.81 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? -18.535 -0.958 18.711 1.00 12.72 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? -17.201 -1.318 19.387 1.00 14.16 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? -16.276 -2.213 18.541 1.00 13.37 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? -15.954 -1.642 17.232 1.00 14.66 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? -14.939 -2.031 16.464 1.00 14.93 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? -14.114 -2.999 16.866 1.00 14.39 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? -14.748 -1.459 15.282 1.00 15.44 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? -20.079 1.731 18.042 1.00 11.55 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? -21.028 2.648 17.385 1.00 11.58 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? -21.895 2.000 16.296 1.00 11.72 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? -23.112 1.851 16.464 1.00 11.90 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? -20.323 3.922 16.836 1.00 11.15 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? -19.659 4.620 17.908 1.00 11.98 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? -21.336 4.860 16.169 1.00 10.29 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? -21.269 1.630 15.185 1.00 11.99 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? -21.987 1.094 14.036 1.00 12.28 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? -22.435 -0.328 14.330 1.00 12.68 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? -23.517 -0.747 13.908 1.00 12.70 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? -21.109 1.149 12.782 1.00 12.18 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? -21.619 -1.062 15.084 1.00 12.66 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? -21.914 -2.459 15.367 1.00 13.29 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? -23.005 -2.688 16.396 1.00 13.56 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? -23.636 -3.747 16.410 1.00 13.89 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? -23.249 -1.702 17.255 1.00 13.47 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? -24.120 -1.943 18.414 1.00 13.59 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? -25.011 -0.773 18.830 1.00 13.09 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? -26.240 -0.905 18.827 1.00 13.26 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? -23.300 -2.440 19.620 1.00 14.54 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? -24.157 -2.864 20.773 1.00 15.12 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? -24.510 -2.105 21.846 1.00 16.00 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? -24.802 -4.133 20.946 1.00 16.65 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? -25.332 -2.820 22.686 1.00 16.42 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? -25.519 -4.073 22.164 1.00 17.21 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? -24.834 -5.321 20.199 1.00 16.76 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? -26.263 -5.154 22.653 1.00 17.62 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? -25.569 -6.399 20.688 1.00 15.96 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? -26.281 -6.305 21.901 1.00 16.55 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? -24.411 0.352 19.206 1.00 12.48 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? -25.192 1.470 19.763 1.00 13.18 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? -26.263 1.997 18.808 1.00 13.60 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? -27.407 2.219 19.208 1.00 13.70 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? -24.289 2.606 20.223 1.00 12.70 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? -23.505 2.258 21.467 1.00 12.83 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? -23.859 1.326 22.208 1.00 12.69 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? -22.423 3.013 21.712 1.00 10.22 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? -25.881 2.165 17.547 1.00 13.70 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? -26.785 2.698 16.527 1.00 14.33 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? -27.915 1.700 16.205 1.00 14.45 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? -29.077 2.012 16.454 1.00 14.62 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? -26.009 3.179 15.263 1.00 14.38 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? -25.079 4.365 15.603 1.00 15.69 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? -26.961 3.502 14.090 1.00 14.71 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? -25.749 5.586 16.240 1.00 16.99 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? -27.578 0.488 15.713 1.00 14.51 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? -28.638 -0.477 15.367 1.00 14.49 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? -29.509 -0.923 16.556 1.00 14.82 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? -30.740 -0.977 16.425 1.00 14.11 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? -27.861 -1.657 14.764 1.00 14.72 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? -26.466 -1.540 15.344 1.00 13.91 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? -26.230 -0.066 15.461 1.00 14.45 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? -28.901 -1.214 17.706 1.00 15.44 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? -29.681 -1.667 18.865 1.00 16.04 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? -30.509 -0.537 19.486 1.00 16.59 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -31.612 -0.768 19.989 1.00 16.03 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? -28.805 -2.362 19.924 1.00 16.20 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? -28.196 -3.709 19.498 1.00 17.35 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? -29.354 -4.842 18.672 1.00 21.19 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? -28.922 -4.528 16.973 1.00 24.08 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? -29.980 0.682 19.424 1.00 16.89 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? -30.714 1.864 19.858 1.00 18.26 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -31.957 2.063 19.012 1.00 19.09 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -33.046 2.302 19.545 1.00 18.87 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -31.786 1.945 17.694 1.00 19.63 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -32.890 2.045 16.747 1.00 20.63 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -33.933 0.959 16.963 1.00 21.60 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -35.133 1.239 16.904 1.00 21.66 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -32.391 1.998 15.300 1.00 20.36 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -31.684 3.243 14.752 1.00 20.90 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -30.951 2.915 13.457 1.00 20.36 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -32.663 4.410 14.563 1.00 21.25 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -33.465 -0.268 17.208 1.00 21.90 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -34.335 -1.422 17.419 1.00 22.77 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -35.125 -1.338 18.730 1.00 23.80 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -36.330 -1.593 18.738 1.00 23.72 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -33.551 -2.768 17.304 1.00 22.85 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -33.124 -3.002 15.844 1.00 21.95 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -34.395 -3.940 17.837 1.00 22.80 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -32.151 -4.145 15.639 1.00 22.04 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -34.452 -0.963 19.818 1.00 24.84 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -35.110 -0.721 21.111 1.00 26.48 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -36.242 0.320 20.994 1.00 27.51 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -37.363 0.091 21.469 1.00 27.88 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -34.071 -0.325 22.214 1.00 26.11 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -34.734 0.399 23.391 1.00 26.75 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -33.308 -1.553 22.695 1.00 26.28 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -35.949 1.445 20.344 1.00 28.64 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -36.935 2.502 20.122 1.00 29.84 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -38.147 2.043 19.319 1.00 30.14 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -39.289 2.290 19.711 1.00 29.94 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -36.289 3.711 19.438 1.00 30.25 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -35.395 4.519 20.377 1.00 32.15 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -35.227 4.179 21.554 1.00 33.17 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -34.812 5.594 19.846 1.00 35.43 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -37.896 1.369 18.200 1.00 30.59 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -38.972 0.954 17.300 1.00 30.93 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -39.848 -0.149 17.898 1.00 31.14 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -41.074 -0.096 17.781 1.00 31.28 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -38.415 0.581 15.920 1.00 30.72 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -37.891 1.801 15.145 1.00 31.03 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -37.038 1.434 13.938 1.00 30.63 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -37.056 0.295 13.468 1.00 30.58 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -36.291 2.407 13.427 1.00 29.02 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -39.232 -1.119 18.570 1.00 31.20 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -39.995 -2.199 19.216 1.00 31.38 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -40.609 -1.781 20.565 1.00 31.56 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -41.473 -2.481 21.104 1.00 31.71 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -39.152 -3.481 19.410 1.00 31.12 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -38.147 -3.260 20.406 1.00 31.05 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -38.500 -3.901 18.103 1.00 31.18 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -40.157 -0.643 21.090 1.00 31.50 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -40.556 -0.153 22.412 1.00 31.79 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -40.173 -1.095 23.540 1.00 31.81 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -40.820 -1.119 24.591 1.00 31.82 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -39.116 -1.873 23.319 1.00 31.91 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -38.712 -2.925 24.246 1.00 31.90 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -37.214 -2.889 24.523 1.00 32.03 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -36.420 -2.595 23.629 1.00 31.89 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -39.082 -4.295 23.681 1.00 31.83 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -38.552 -5.332 24.488 1.00 32.33 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -36.844 -3.205 25.763 1.00 32.03 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -35.438 -3.313 26.156 1.00 32.15 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -34.871 -4.722 25.960 1.00 31.71 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -33.703 -4.979 26.266 1.00 31.79 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -35.255 -2.859 27.604 1.00 32.36 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -35.069 -1.079 27.771 1.00 33.60 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -35.697 -5.625 25.437 1.00 31.21 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -35.291 -7.010 25.220 1.00 30.78 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -34.546 -7.195 23.887 1.00 30.40 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -34.853 -8.104 23.114 1.00 30.14 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -36.513 -7.944 25.315 1.00 30.86 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -33.560 -6.329 23.632 1.00 30.01 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -32.735 -6.392 22.416 1.00 29.71 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -31.933 -7.690 22.318 1.00 29.51 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -31.343 -7.986 21.278 1.00 29.69 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -31.768 -5.196 22.356 1.00 29.71 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? -30.855 -5.088 23.553 1.00 29.56 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -30.998 -4.041 24.457 1.00 29.87 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? -29.859 -6.033 23.780 1.00 28.47 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? -30.162 -3.931 25.564 1.00 29.89 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? -29.024 -5.939 24.890 1.00 29.99 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? -29.173 -4.885 25.783 1.00 29.49 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -31.901 -8.436 23.419 1.00 29.25 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -31.178 -9.693 23.521 1.00 29.18 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -32.024 -10.870 23.047 1.00 28.72 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -31.554 -12.001 23.030 1.00 29.38 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -30.778 -9.929 24.976 1.00 29.36 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -31.977 -10.220 25.860 1.00 30.29 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -32.920 -9.394 25.876 1.00 28.53 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -31.976 -11.281 26.520 1.00 31.92 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -33.275 -10.596 22.692 1.00 28.08 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -34.194 -11.604 22.172 1.00 27.77 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -34.726 -11.249 20.778 1.00 26.59 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -35.588 -11.956 20.228 1.00 26.98 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -35.354 -11.811 23.153 1.00 28.16 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -34.989 -12.740 24.302 1.00 31.00 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -35.961 -12.664 25.470 1.00 33.78 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -35.699 -13.334 26.490 1.00 36.17 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -36.971 -11.933 25.383 1.00 35.64 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -34.195 -10.171 20.202 1.00 25.06 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -34.661 -9.676 18.906 1.00 23.59 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -34.209 -10.566 17.754 1.00 22.63 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -35.027 -10.994 16.936 1.00 22.81 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -34.217 -8.224 18.687 1.00 23.50 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -34.802 -7.581 17.453 1.00 23.33 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -36.126 -7.133 17.437 1.00 22.51 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -34.021 -7.401 16.310 1.00 23.26 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -36.659 -6.528 16.296 1.00 22.87 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -34.545 -6.803 15.168 1.00 22.10 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -35.869 -6.359 15.162 1.00 23.62 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -32.906 -10.821 17.684 1.00 21.14 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -32.343 -11.696 16.673 1.00 19.94 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -32.328 -13.114 17.223 1.00 19.35 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -32.050 -13.315 18.401 1.00 19.93 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -30.920 -11.251 16.287 1.00 19.63 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? -30.863 -9.890 15.626 1.00 19.25 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -31.321 -9.711 14.318 1.00 18.01 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? -30.349 -8.795 16.311 1.00 18.73 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -31.278 -8.452 13.700 1.00 18.37 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? -30.297 -7.536 15.708 1.00 18.50 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? -30.768 -7.363 14.397 1.00 18.80 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -32.633 -14.092 16.379 1.00 18.47 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -32.573 -15.490 16.803 1.00 17.72 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -31.180 -15.866 17.358 1.00 17.31 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -31.063 -16.455 18.432 1.00 16.62 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -32.984 -16.424 15.663 1.00 17.33 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -32.153 -16.279 14.528 1.00 18.30 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? -30.141 -15.520 16.603 1.00 16.67 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? -28.753 -15.747 17.007 1.00 17.15 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? -27.888 -14.586 16.550 1.00 16.44 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? -28.219 -13.911 15.574 1.00 16.18 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? -28.209 -17.019 16.371 1.00 17.44 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? -28.844 -18.314 16.856 1.00 19.16 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? -28.370 -19.496 16.046 1.00 20.76 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? -27.770 -20.420 16.581 1.00 22.73 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? -28.614 -19.459 14.743 1.00 21.52 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? -26.767 -14.374 17.233 1.00 15.98 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? -25.857 -13.298 16.869 1.00 15.01 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? -24.401 -13.652 17.177 1.00 14.81 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? -24.108 -14.625 17.900 1.00 14.48 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? -26.227 -11.989 17.592 1.00 15.11 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? -27.633 -11.710 17.545 1.00 15.65 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? -23.494 -12.866 16.608 1.00 13.54 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? -22.155 -12.753 17.158 1.00 13.13 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? -22.012 -11.299 17.566 1.00 12.90 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? -21.973 -10.385 16.713 1.00 12.60 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? -21.071 -13.155 16.150 1.00 13.43 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? -19.390 -12.975 16.858 1.00 12.60 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? -22.022 -11.080 18.872 1.00 12.46 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? -21.835 -9.743 19.417 1.00 11.95 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? -20.748 -9.838 20.473 1.00 11.55 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? -21.045 -9.986 21.664 1.00 11.26 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? -23.129 -9.204 20.015 1.00 11.89 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? -19.481 -9.770 20.039 1.00 11.32 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? -18.396 -9.946 21.002 1.00 11.41 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? -18.574 -9.036 22.221 1.00 11.37 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? -18.921 -7.853 22.076 1.00 11.45 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? -17.147 -9.578 20.189 1.00 11.45 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? -17.522 -9.945 18.762 1.00 12.10 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? -18.976 -9.551 18.666 1.00 11.36 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? -18.376 -9.607 23.410 1.00 11.50 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? -18.588 -8.904 24.670 1.00 12.16 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? -19.856 -9.333 25.395 1.00 13.16 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? -20.020 -9.054 26.577 1.00 13.82 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? -20.756 -10.014 24.694 1.00 13.85 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? -21.971 -10.537 25.325 1.00 14.75 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? -21.667 -11.822 26.109 1.00 15.23 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? -20.551 -12.352 26.041 1.00 15.05 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? -23.054 -10.764 24.276 1.00 15.09 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? -22.645 -12.316 26.869 1.00 15.86 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? -22.482 -13.594 27.588 1.00 16.59 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? -22.216 -14.714 26.567 1.00 16.64 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? -23.035 -14.922 25.675 1.00 16.77 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? -23.756 -13.892 28.399 1.00 16.32 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? -23.667 -15.181 29.233 1.00 16.95 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? -22.590 -15.829 29.320 1.00 14.83 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? -24.713 -15.541 29.822 1.00 16.21 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? -21.059 -15.416 26.676 1.00 16.99 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? -20.674 -16.468 25.721 1.00 17.46 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? -21.682 -17.614 25.542 1.00 17.38 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? -21.718 -18.220 24.470 1.00 17.24 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? -19.354 -17.010 26.286 1.00 17.49 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? -18.837 -15.927 27.168 1.00 18.46 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? -20.032 -15.217 27.715 1.00 17.34 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? -22.438 -17.875 26.609 1.00 17.57 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? -23.439 -18.948 26.504 1.00 18.71 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? -24.750 -18.488 25.868 1.00 18.65 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? -25.663 -19.303 25.666 1.00 18.63 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? -23.702 -19.657 27.847 1.00 18.67 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? -24.354 -18.772 28.910 1.00 20.47 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? -24.579 -19.518 30.222 1.00 19.86 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? -25.249 -18.597 31.262 1.00 20.21 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? -25.505 -19.255 32.577 1.00 17.92 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? -24.949 -17.185 25.690 1.00 18.42 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? -26.204 -16.582 25.233 1.00 17.93 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? -26.365 -16.624 23.715 1.00 18.09 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? -25.400 -16.859 22.966 1.00 18.18 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? -26.323 -15.137 25.733 1.00 18.02 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? -25.479 -14.292 24.976 1.00 15.87 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? -27.593 -16.381 23.262 1.00 18.14 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? -27.885 -16.305 21.829 1.00 18.33 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? -27.092 -15.196 21.134 1.00 17.15 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? -26.798 -15.306 19.947 1.00 16.67 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? -29.392 -16.156 21.568 1.00 18.87 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? -30.065 -14.992 22.275 1.00 22.24 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -31.571 -15.220 22.418 1.00 27.30 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -32.283 -14.913 21.179 1.00 31.24 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -33.599 -15.032 21.009 1.00 32.45 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -34.380 -15.463 21.996 1.00 34.29 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -34.134 -14.721 19.840 1.00 33.80 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? -26.727 -14.152 21.885 1.00 16.17 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? -25.957 -13.030 21.332 1.00 15.67 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? -24.514 -13.407 20.967 1.00 14.97 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? -23.852 -12.676 20.227 1.00 15.21 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? -25.960 -11.828 22.284 1.00 15.54 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? -27.203 -10.927 22.297 1.00 16.70 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? -27.167 -9.977 23.502 1.00 15.84 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? -27.323 -10.134 20.977 1.00 15.55 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? -24.036 -14.534 21.488 1.00 14.45 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? -22.697 -15.060 21.153 1.00 14.04 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? -22.717 -16.329 20.295 1.00 14.30 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? -21.655 -16.815 19.870 1.00 14.52 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? -21.907 -15.345 22.434 1.00 13.93 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? -21.295 -13.893 23.276 1.00 13.59 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? -23.913 -16.861 20.038 1.00 14.23 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? -24.069 -18.189 19.408 1.00 15.02 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? -23.367 -18.357 18.056 1.00 14.80 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? -22.942 -19.453 17.705 1.00 15.75 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? -25.547 -18.565 19.292 1.00 14.90 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? -23.304 -17.276 17.287 1.00 14.55 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? -22.636 -17.296 15.967 1.00 14.06 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? -21.150 -16.941 16.036 1.00 13.95 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? -20.435 -17.116 15.037 1.00 13.58 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? -23.360 -16.318 14.998 1.00 14.33 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? -24.824 -16.629 14.600 1.00 16.09 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? -25.398 -15.498 13.765 1.00 15.66 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? -24.914 -17.959 13.853 1.00 16.63 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? -20.581 -16.536 17.164 1.00 14.09 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? -19.138 -16.274 17.287 1.00 14.36 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? -18.324 -17.570 17.241 1.00 14.91 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? -18.802 -18.625 17.653 1.00 14.59 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? -18.819 -15.497 18.559 1.00 13.98 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? -19.546 -13.854 18.683 1.00 15.09 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? -17.092 -17.474 16.748 1.00 15.25 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? -16.292 -18.661 16.402 1.00 16.29 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? -14.999 -18.824 17.212 1.00 16.57 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? -14.377 -19.893 17.183 1.00 16.65 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? -15.967 -18.651 14.907 1.00 16.34 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? -14.594 -17.778 17.928 1.00 16.57 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? -13.330 -17.802 18.660 1.00 16.90 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? -12.127 -17.833 17.727 1.00 17.39 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? -12.232 -17.439 16.564 1.00 17.05 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? -10.993 -18.312 18.242 1.00 18.30 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? -9.735 -18.378 17.486 1.00 20.03 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? -9.545 -19.697 16.700 1.00 21.17 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? -10.490 -20.488 16.577 1.00 21.45 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? -8.538 -18.083 18.409 1.00 19.76 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? -8.239 -19.212 19.413 1.00 21.13 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? -8.731 -20.351 19.265 1.00 22.40 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? -7.484 -18.949 20.367 1.00 22.61 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? -8.332 -19.915 16.180 0.50 22.45 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? -7.952 -21.151 15.465 0.50 24.12 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? -8.305 -22.428 16.226 0.50 24.95 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? -8.718 -23.423 15.631 0.50 25.26 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? -6.443 -21.162 15.173 0.50 24.24 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? -6.041 -20.204 14.062 0.50 24.94 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? -6.893 -19.815 13.229 0.50 25.68 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? -4.845 -19.845 14.019 0.50 26.78 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? -8.118 -22.388 17.541 1.00 26.37 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? -8.400 -23.512 18.433 1.00 27.58 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? -9.835 -23.527 18.938 1.00 27.53 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? -10.209 -24.402 19.723 1.00 28.14 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? -7.468 -23.464 19.649 1.00 28.05 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? -6.007 -23.741 19.350 1.00 30.21 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? -5.266 -24.266 20.568 1.00 32.82 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? -5.313 -25.463 20.870 1.00 35.81 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? -4.567 -23.380 21.265 1.00 33.10 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? -10.636 -22.551 18.519 1.00 27.58 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? -11.997 -22.410 19.036 1.00 26.41 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? -12.028 -21.898 20.462 1.00 26.29 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? -13.040 -22.044 21.161 1.00 27.12 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? -10.912 -21.312 20.901 1.00 25.13 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? -10.821 -20.664 22.206 1.00 24.01 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? -11.269 -19.218 22.089 1.00 22.79 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? -11.275 -18.653 20.994 1.00 23.12 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? -9.381 -20.694 22.734 1.00 23.94 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? -8.740 -22.045 23.081 1.00 24.58 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? -7.430 -21.806 23.790 1.00 24.81 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? -9.663 -22.897 23.943 1.00 24.09 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? -11.633 -18.629 23.222 1.00 21.25 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? -11.968 -17.204 23.295 1.00 20.32 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? -13.208 -16.860 22.477 1.00 19.03 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? -13.339 -15.737 21.985 1.00 17.65 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? -10.783 -16.334 22.854 1.00 20.56 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? -9.631 -16.349 23.854 1.00 23.08 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? -9.818 -16.806 24.997 1.00 25.43 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? -8.532 -15.888 23.489 1.00 24.70 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? -14.117 -17.824 22.328 1.00 18.21 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? -15.386 -17.547 21.637 1.00 17.74 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? -16.050 -16.308 22.241 1.00 16.34 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? -16.247 -16.234 23.456 1.00 16.42 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? -16.330 -18.754 21.719 1.00 18.07 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? -17.649 -18.545 20.992 1.00 21.05 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? -18.762 -19.393 21.597 1.00 24.77 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? -20.086 -19.185 20.878 1.00 25.73 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? -20.225 -20.070 19.707 1.00 27.41 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? -16.401 -15.336 21.383 1.00 15.44 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? -17.106 -14.111 21.745 1.00 14.69 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? -16.307 -13.060 22.534 1.00 14.11 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? -16.885 -12.102 23.044 1.00 13.63 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? -18.412 -14.455 22.460 1.00 14.58 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? -19.764 -13.274 22.157 1.00 14.32 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? -14.996 -13.244 22.653 1.00 13.54 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? -14.166 -12.209 23.275 1.00 13.39 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? -14.143 -10.976 22.375 1.00 12.70 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? -14.018 -11.102 21.149 1.00 12.10 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? -12.706 -12.667 23.568 1.00 13.23 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? -12.688 -13.816 24.589 1.00 14.94 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? -11.965 -13.035 22.274 1.00 15.15 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? -14.273 -9.781 22.979 1.00 12.28 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? -14.244 -8.531 22.222 1.00 12.05 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? -12.813 -8.082 21.874 1.00 12.22 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? -12.387 -6.982 22.243 1.00 11.69 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? -14.914 -7.550 23.173 1.00 12.17 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? -14.561 -8.045 24.535 1.00 12.10 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? -14.522 -9.548 24.415 1.00 12.64 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? -12.086 -8.946 21.180 1.00 12.59 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? -10.769 -8.592 20.638 1.00 12.97 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? -10.482 -9.386 19.363 1.00 13.65 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? -11.262 -10.290 18.989 1.00 13.95 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? -9.653 -8.686 21.713 1.00 12.77 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? -9.273 -10.123 22.084 1.00 13.80 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? -9.227 -11.014 21.237 1.00 13.52 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? -8.946 -10.331 23.357 1.00 14.91 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? -9.387 -9.052 18.684 1.00 13.67 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? -9.145 -9.582 17.337 1.00 14.37 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? -8.937 -11.098 17.278 1.00 14.92 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? -8.927 -11.654 16.188 1.00 15.75 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? -7.979 -8.861 16.669 1.00 14.25 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? -6.771 -9.181 17.328 1.00 13.01 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? -8.778 -11.748 18.436 1.00 15.41 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? -8.677 -13.222 18.518 1.00 15.61 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? -9.958 -13.929 18.065 1.00 15.55 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? -9.916 -15.050 17.518 1.00 15.55 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? -8.344 -13.664 19.935 1.00 15.81 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? -6.893 -13.472 20.310 1.00 17.31 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? -6.537 -14.439 21.411 1.00 21.07 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? -6.531 -15.853 20.874 1.00 19.95 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? -6.856 -16.817 21.922 1.00 21.48 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? -11.091 -13.279 18.317 1.00 14.39 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? -12.393 -13.767 17.861 1.00 13.97 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? -12.534 -13.542 16.346 1.00 13.87 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? -12.391 -12.424 15.855 1.00 13.69 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? -13.525 -13.104 18.658 1.00 13.85 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? -14.920 -13.105 17.981 1.00 12.20 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? -15.484 -14.510 17.740 1.00 12.32 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? -15.562 -15.314 18.708 1.00 10.92 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? -15.858 -14.792 16.579 1.00 11.45 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? -12.775 -14.634 15.623 1.00 13.78 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? -12.834 -14.648 14.161 1.00 14.33 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? -13.729 -13.543 13.600 1.00 13.47 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? -13.367 -12.862 12.642 1.00 13.71 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? -13.334 -16.023 13.683 1.00 13.61 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? -13.389 -16.211 12.169 1.00 16.28 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? -13.837 -17.649 11.864 1.00 16.36 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? -13.598 -18.027 10.436 1.00 21.85 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? -13.568 -19.528 10.248 1.00 24.53 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? -14.890 -13.360 14.224 1.00 12.85 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? -15.873 -12.409 13.743 1.00 12.76 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? -15.860 -11.047 14.465 1.00 12.75 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? -16.826 -10.290 14.374 1.00 12.75 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? -17.277 -13.049 13.713 1.00 12.77 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? -17.351 -14.318 12.866 1.00 13.66 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? -16.888 -14.331 11.553 1.00 15.56 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? -17.866 -15.503 13.389 1.00 16.04 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? -16.939 -15.490 10.773 1.00 15.99 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? -17.926 -16.673 12.614 1.00 16.22 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? -17.454 -16.652 11.310 1.00 15.91 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? -17.509 -17.787 10.523 1.00 16.00 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? -14.741 -10.707 15.113 1.00 12.45 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? -14.613 -9.413 15.817 1.00 12.01 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? -14.395 -8.185 14.900 1.00 12.00 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? -13.684 -8.264 13.895 1.00 11.18 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? -13.485 -9.463 16.872 1.00 12.02 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? -13.292 -8.131 17.575 1.00 11.92 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? -14.157 -7.729 18.599 1.00 11.62 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? -12.288 -7.252 17.183 1.00 11.86 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? -13.998 -6.497 19.229 1.00 12.42 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? -12.132 -6.015 17.797 1.00 11.96 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? -12.984 -5.648 18.827 1.00 12.14 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? -12.847 -4.423 19.448 1.00 13.08 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? -14.992 -7.047 15.275 1.00 11.03 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? -14.693 -5.765 14.625 1.00 11.85 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? -15.345 -5.605 13.267 1.00 11.93 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? -16.136 -6.452 12.851 1.00 12.01 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? -15.022 -4.507 12.580 1.00 12.82 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? -15.552 -4.259 11.239 1.00 12.72 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? -15.358 -5.439 10.292 1.00 13.05 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? -16.317 -5.920 9.701 1.00 12.87 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? -14.925 -3.015 10.611 1.00 12.61 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? -15.231 -1.710 11.310 1.00 11.96 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? -16.551 -1.266 11.477 1.00 9.72 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? -14.189 -0.898 11.768 1.00 11.20 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? -16.817 -0.046 12.099 1.00 11.62 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? -14.441 0.303 12.385 1.00 10.50 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? -15.755 0.720 12.561 1.00 11.52 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? -15.986 1.918 13.168 1.00 12.89 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? -14.114 -5.887 10.143 1.00 13.65 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? -13.786 -6.935 9.180 1.00 14.48 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? -14.407 -8.283 9.584 1.00 13.51 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? -14.964 -8.981 8.739 1.00 13.43 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? -12.257 -7.072 8.984 1.00 14.85 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? -11.687 -5.778 8.715 1.00 18.59 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? -11.953 -7.980 7.808 1.00 16.11 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? -14.336 -8.616 10.873 1.00 13.13 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? -14.897 -9.868 11.395 1.00 12.07 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? -16.407 -9.945 11.237 1.00 12.05 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? -16.952 -10.982 10.840 1.00 11.27 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? -17.091 -8.833 11.502 1.00 12.07 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? -18.540 -8.815 11.348 1.00 12.15 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? -18.939 -8.935 9.875 1.00 12.86 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? -19.899 -9.640 9.555 1.00 13.16 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? -19.159 -7.568 11.990 1.00 12.96 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? -18.191 -8.288 8.982 1.00 12.43 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? -18.447 -8.433 7.540 1.00 12.89 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? -18.180 -9.870 7.056 1.00 12.88 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? -18.900 -10.369 6.204 1.00 13.17 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? -17.669 -7.391 6.714 1.00 12.76 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? -18.067 -7.345 5.245 1.00 13.66 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? -19.337 -6.922 4.861 1.00 13.06 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? -17.153 -7.717 4.255 1.00 14.02 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? -19.703 -6.884 3.504 1.00 13.19 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? -17.503 -7.697 2.895 1.00 13.67 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? -18.773 -7.269 2.518 1.00 14.57 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? -17.166 -10.528 7.621 1.00 13.00 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? -16.865 -11.926 7.299 1.00 13.24 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? -18.001 -12.852 7.713 1.00 13.09 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? -18.345 -13.789 6.987 1.00 12.93 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? -15.565 -12.371 7.967 1.00 13.19 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? -15.141 -13.800 7.646 1.00 13.95 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? -13.812 -14.141 8.355 1.00 13.66 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? -13.327 -15.456 7.939 1.00 16.70 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? -12.125 -15.956 8.230 1.00 18.20 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? -11.268 -15.270 8.964 1.00 17.39 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? -11.791 -17.163 7.795 1.00 19.88 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? -18.556 -12.575 8.889 1.00 13.16 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? -19.722 -13.271 9.418 1.00 13.49 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? -20.886 -13.223 8.416 1.00 13.44 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? -21.539 -14.243 8.186 1.00 14.00 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? -20.070 -12.690 10.796 1.00 13.18 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? -21.620 -13.209 11.593 1.00 13.53 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? -21.129 -12.058 7.809 1.00 14.02 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? -22.126 -11.949 6.728 1.00 14.40 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? -21.670 -12.645 5.444 1.00 14.99 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? -22.419 -13.430 4.863 1.00 15.03 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? -22.468 -10.494 6.412 1.00 14.51 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? -23.354 -10.270 5.180 1.00 13.30 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? -24.812 -10.709 5.480 1.00 13.80 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? -23.295 -8.807 4.749 1.00 11.88 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? -20.447 -12.351 5.010 1.00 15.83 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? -19.890 -12.943 3.780 1.00 16.65 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? -19.961 -14.471 3.748 1.00 17.14 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? -20.252 -15.058 2.700 1.00 17.38 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? -18.469 -12.481 3.563 1.00 16.13 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? -19.712 -15.104 4.893 1.00 17.36 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? -19.721 -16.564 4.995 1.00 17.97 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? -21.124 -17.125 5.232 1.00 18.10 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? -21.293 -18.334 5.405 1.00 18.32 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? -18.747 -17.038 6.086 1.00 17.63 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? -17.293 -16.722 5.767 1.00 18.48 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? -16.298 -17.236 6.793 1.00 18.51 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? -16.665 -17.544 7.944 1.00 21.48 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? -15.122 -17.331 6.432 1.00 20.82 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? -22.119 -16.235 5.231 1.00 18.36 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? -23.529 -16.577 5.503 1.00 18.64 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? -23.790 -17.159 6.899 1.00 18.25 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? -24.777 -17.870 7.120 1.00 18.11 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? -24.107 -17.467 4.381 1.00 19.19 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? -24.265 -16.712 3.068 1.00 20.72 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? -24.610 -15.512 3.099 1.00 21.74 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? -24.046 -17.310 1.999 1.00 23.14 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? -22.914 -16.832 7.849 1.00 17.42 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? -23.128 -17.203 9.253 1.00 16.93 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? -24.281 -16.346 9.803 1.00 16.26 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? -25.160 -16.826 10.532 1.00 16.45 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? -21.806 -17.080 10.088 1.00 16.80 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? -22.057 -17.284 11.576 1.00 16.53 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? -20.764 -18.076 9.586 1.00 17.38 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? -24.295 -15.077 9.409 1.00 16.30 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? -25.363 -14.175 9.778 1.00 16.05 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? -26.098 -13.683 8.548 1.00 15.94 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? -25.587 -13.782 7.430 1.00 16.05 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? -27.301 -13.155 8.768 1.00 15.85 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? -28.128 -12.578 7.711 1.00 15.92 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? -27.832 -11.109 7.467 1.00 15.08 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? -28.060 -10.587 6.372 1.00 15.32 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? -29.602 -12.710 8.093 1.00 16.02 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? -30.077 -14.145 8.075 1.00 17.25 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? -29.874 -14.812 7.042 1.00 17.38 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? -30.650 -14.592 9.098 1.00 17.75 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? -27.357 -10.444 8.515 1.00 14.73 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? -27.105 -9.005 8.502 1.00 14.21 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? -25.820 -8.695 9.275 1.00 13.80 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? -25.539 -9.315 10.313 1.00 14.10 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? -28.336 -8.188 9.053 1.00 14.58 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? -28.653 -8.526 10.526 1.00 14.53 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? -28.137 -6.691 8.867 1.00 14.24 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? -25.038 -7.758 8.751 1.00 13.76 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? -23.867 -7.250 9.454 1.00 13.15 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? -24.039 -5.757 9.721 1.00 13.24 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? -24.417 -4.981 8.824 1.00 12.75 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? -22.582 -7.503 8.649 1.00 13.66 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? -23.765 -5.364 10.960 1.00 12.88 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? -23.777 -3.954 11.329 1.00 13.15 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? -22.350 -3.428 11.355 1.00 13.11 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? -21.609 -3.635 12.339 1.00 12.65 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? -24.502 -3.771 12.662 1.00 12.96 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? -25.935 -4.213 12.610 1.00 14.47 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? -26.877 -3.459 11.905 1.00 15.24 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? -26.338 -5.398 13.211 1.00 13.91 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? -28.208 -3.868 11.825 1.00 15.27 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? -27.676 -5.814 13.140 1.00 14.99 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? -28.607 -5.041 12.445 1.00 14.17 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? -21.969 -2.785 10.248 1.00 13.03 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? -20.615 -2.259 10.065 1.00 13.64 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? -20.652 -0.827 9.530 1.00 14.12 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? -21.661 -0.136 9.697 1.00 14.49 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? -19.729 -3.199 9.173 1.00 13.04 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? -19.572 -4.577 9.821 1.00 13.37 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? -20.296 -3.342 7.753 1.00 13.81 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? -19.555 -0.375 8.910 1.00 14.73 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? -19.546 0.913 8.217 1.00 14.86 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? -19.421 0.746 6.693 1.00 15.13 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? -19.017 -0.311 6.201 1.00 14.69 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? -18.457 1.843 8.775 1.00 14.89 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? -17.031 1.326 8.616 1.00 14.38 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? -16.031 2.278 9.253 1.00 14.96 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? -14.633 1.688 9.148 1.00 14.52 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? -13.595 2.622 9.615 1.00 16.36 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? -19.769 1.797 5.958 1.00 15.51 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? -19.672 1.794 4.497 1.00 16.48 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? -18.300 1.330 4.008 1.00 16.28 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? -18.206 0.445 3.142 1.00 16.35 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? -20.014 3.186 3.930 1.00 16.62 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? -19.508 3.374 2.516 1.00 19.54 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? -20.010 2.739 1.577 1.00 19.69 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? -18.503 4.253 2.359 1.00 20.15 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? -17.240 1.899 4.585 1.00 16.24 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? -15.863 1.603 4.157 1.00 16.43 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? -15.529 0.113 4.187 1.00 16.31 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? -14.800 -0.385 3.324 1.00 16.20 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? -14.851 2.364 5.013 1.00 17.21 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? -15.116 3.855 5.033 1.00 19.32 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? -15.846 4.308 5.937 1.00 20.05 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? -14.616 4.563 4.128 1.00 21.35 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? -16.058 -0.582 5.191 1.00 15.55 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? -15.795 -2.009 5.393 1.00 15.15 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? -16.194 -2.827 4.163 1.00 15.37 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? -15.429 -3.687 3.715 1.00 15.04 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? -16.514 -2.548 6.666 1.00 15.04 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? -16.183 -1.724 7.796 1.00 14.25 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? -16.114 -4.004 6.948 1.00 14.19 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? -17.370 -2.535 3.610 1.00 15.65 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? -17.859 -3.248 2.434 1.00 16.59 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? -16.908 -3.043 1.250 1.00 17.52 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? -16.482 -4.001 0.636 1.00 18.02 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? -19.298 -2.837 2.056 1.00 16.96 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? -19.789 -3.635 0.852 1.00 16.90 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? -20.238 -3.044 3.241 1.00 15.31 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? -16.570 -1.789 0.961 1.00 18.29 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? -15.681 -1.454 -0.151 1.00 19.46 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? -14.294 -2.075 0.002 1.00 19.54 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? -13.749 -2.644 -0.949 1.00 20.06 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? -15.614 0.066 -0.312 1.00 19.99 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? -16.881 0.599 -0.891 1.00 21.05 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? -18.061 0.803 -0.240 1.00 21.27 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? -17.111 0.944 -2.261 1.00 21.98 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? -19.013 1.275 -1.119 1.00 22.73 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? -18.452 1.372 -2.366 1.00 22.59 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? -16.307 0.950 -3.409 1.00 22.83 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? -19.012 1.796 -3.580 1.00 23.05 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? -16.861 1.381 -4.613 1.00 22.30 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? -18.201 1.792 -4.689 1.00 22.32 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? -13.760 -2.006 1.217 1.00 19.73 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? -12.406 -2.466 1.530 1.00 20.57 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? -12.215 -3.984 1.504 1.00 20.49 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? -11.079 -4.457 1.504 1.00 21.06 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? -11.946 -1.875 2.872 1.00 20.48 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? -11.541 -0.409 2.745 1.00 22.81 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? -11.427 0.331 4.070 1.00 25.87 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? -11.197 -0.303 5.128 1.00 24.61 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? -11.566 1.574 4.035 1.00 27.87 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? -13.311 -4.741 1.464 1.00 20.60 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? -13.234 -6.212 1.469 1.00 20.88 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? -13.894 -6.911 0.270 1.00 21.12 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? -14.196 -8.099 0.319 1.00 21.31 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? -13.758 -6.774 2.799 1.00 20.95 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? -12.879 -6.382 3.976 1.00 20.64 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? -11.894 -7.046 4.270 1.00 22.03 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? -13.231 -5.291 4.645 1.00 21.38 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? -14.088 -6.166 -0.811 1.00 21.54 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? -14.750 -6.670 -2.009 1.00 22.09 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? -13.957 -6.239 -3.243 1.00 23.16 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? -13.104 -5.346 -3.161 1.00 23.22 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? -16.175 -6.102 -2.132 1.00 21.80 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? -16.125 -4.676 -1.991 1.00 21.10 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? -17.109 -6.695 -1.071 1.00 21.16 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? -14.235 -6.889 -4.375 1.00 24.49 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? -13.621 -6.555 -5.678 1.00 25.57 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? -12.089 -6.471 -5.666 1.00 26.24 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? -11.499 -5.546 -6.242 1.00 26.67 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? -14.233 -5.267 -6.246 1.00 25.66 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? -15.681 -5.443 -6.672 1.00 26.68 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? -16.482 -6.070 -5.976 1.00 28.47 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? -16.023 -4.884 -7.824 1.00 27.29 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? -11.459 -7.430 -4.994 1.00 26.60 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? -10.003 -7.549 -4.972 1.00 27.74 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? -9.291 -6.616 -4.009 1.00 28.12 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? -8.069 -6.565 -3.998 1.00 28.24 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? -10.041 -5.882 -3.192 1.00 28.67 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? -9.424 -4.947 -2.244 1.00 29.55 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? -8.730 -5.614 -1.049 1.00 30.16 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? -7.893 -4.983 -0.405 1.00 29.94 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? -10.430 -3.888 -1.757 1.00 29.43 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? -10.908 -2.902 -2.827 1.00 29.58 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? -9.829 -1.941 -3.306 1.00 31.41 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? -9.112 -1.347 -2.467 1.00 32.34 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? -9.710 -1.764 -4.537 1.00 31.12 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? -9.048 -6.885 -0.775 1.00 31.29 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? -8.538 -7.581 0.426 1.00 32.41 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? -7.428 -8.646 0.267 1.00 33.34 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? -6.468 -8.657 1.050 1.00 34.02 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? -9.693 -8.175 1.232 1.00 32.32 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? -9.201 -9.030 2.251 1.00 31.89 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? -7.585 -9.551 -0.699 1.00 33.93 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? -6.678 -10.717 -0.916 1.00 34.36 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? -6.799 -11.861 0.106 1.00 34.28 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? -6.319 -12.972 -0.150 1.00 34.30 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? -5.153 -10.348 -1.133 1.00 34.58 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? -4.552 -9.935 0.101 1.00 35.29 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? -4.974 -9.261 -2.192 1.00 35.06 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? -7.435 -11.598 1.250 1.00 33.94 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? -7.683 -12.636 2.255 1.00 33.39 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? -8.601 -13.710 1.680 1.00 33.05 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? -9.512 -13.402 0.919 1.00 32.84 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? -8.287 -12.029 3.517 1.00 33.52 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? -8.350 -14.955 2.035 1.00 32.66 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? -9.197 -16.070 1.668 1.00 32.37 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? -10.699 -15.872 1.753 1.00 31.66 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? -11.364 -16.220 0.815 1.00 31.77 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? -8.811 -17.300 2.476 1.00 32.98 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? -8.289 -16.930 3.836 1.00 34.66 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? -9.094 -16.588 4.719 1.00 35.96 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? -7.063 -16.890 3.981 1.00 36.27 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? -11.258 -15.380 2.862 1.00 30.56 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? -12.672 -15.317 2.827 1.00 29.45 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? -13.129 -14.229 1.846 1.00 29.33 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? -14.196 -14.288 1.354 1.00 29.07 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? -13.172 -15.098 4.230 1.00 28.53 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? -12.700 -13.933 4.817 1.00 27.24 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? -11.558 -13.761 5.481 1.00 26.48 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? -13.383 -12.709 4.868 1.00 26.25 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? -11.440 -12.491 5.898 1.00 26.35 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? -12.572 -11.821 5.544 1.00 25.98 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? -14.581 -12.267 4.367 1.00 25.94 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? -12.930 -10.531 5.743 1.00 26.35 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? -14.917 -10.992 4.554 1.00 26.50 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? -14.113 -10.141 5.236 1.00 26.37 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? -12.283 -13.236 1.626 1.00 29.27 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? -12.658 -12.006 0.919 1.00 29.58 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? -12.244 -11.957 -0.561 1.00 29.85 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? -12.838 -11.209 -1.341 1.00 29.56 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? -12.115 -10.797 1.652 1.00 29.44 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? -11.223 -12.739 -0.924 1.00 30.54 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? -10.675 -12.808 -2.295 1.00 31.10 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? -11.721 -12.659 -3.388 1.00 30.88 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? -11.554 -11.871 -4.328 1.00 31.22 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? -10.007 -14.171 -2.536 1.00 30.86 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? -8.677 -14.395 -1.873 1.00 32.07 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? -7.940 -15.604 -2.464 1.00 31.99 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? -8.532 -16.959 -2.039 1.00 34.27 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? -9.744 -17.341 -2.812 1.00 34.27 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? -12.784 -13.447 -3.260 1.00 30.61 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? -13.761 -13.652 -4.319 1.00 30.35 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? -15.058 -12.856 -4.152 1.00 29.72 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? -16.004 -13.065 -4.906 1.00 30.00 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? -14.101 -15.143 -4.393 1.00 30.82 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? -14.039 -15.697 -5.806 1.00 30.92 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? -13.852 -14.968 -6.786 1.00 30.64 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? -14.191 -17.007 -5.912 1.00 32.57 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? -15.106 -11.944 -3.181 1.00 28.81 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? -16.338 -11.201 -2.915 1.00 27.68 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? -16.572 -10.044 -3.887 1.00 27.32 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? -15.683 -9.228 -4.130 1.00 26.84 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? -16.389 -10.697 -1.466 1.00 27.42 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? -16.287 -11.722 -0.336 1.00 27.15 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? -16.265 -11.004 1.014 1.00 26.52 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? -17.422 -12.738 -0.388 1.00 26.36 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? -17.788 -9.988 -4.423 1.00 27.00 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? -18.184 -8.948 -5.358 1.00 27.27 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? -19.187 -8.003 -4.692 1.00 26.97 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? -20.134 -8.458 -4.049 1.00 26.64 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? -18.789 -9.583 -6.617 1.00 27.68 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? -18.616 -8.757 -7.889 1.00 29.42 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? -19.603 -7.605 -7.963 1.00 31.46 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? -18.915 -6.321 -8.408 1.00 32.27 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? -19.856 -5.176 -8.541 1.00 33.19 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? -18.967 -6.699 -4.860 1.00 27.19 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? -19.831 -5.645 -4.314 1.00 27.39 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? -21.309 -5.766 -4.687 1.00 27.19 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? -22.181 -5.440 -3.880 1.00 26.90 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? -19.326 -4.266 -4.741 1.00 27.87 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? -18.529 -3.560 -3.688 1.00 28.40 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? -17.691 -2.461 -4.287 1.00 29.20 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? -16.323 -2.540 -3.783 1.00 28.83 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? -15.252 -2.111 -4.438 1.00 29.47 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? -15.371 -1.557 -5.639 1.00 29.12 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? -14.055 -2.236 -3.888 1.00 29.70 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? -21.577 -6.221 -5.910 1.00 26.74 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? -22.945 -6.361 -6.409 1.00 26.50 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? -23.733 -7.471 -5.723 1.00 25.33 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? -24.956 -7.535 -5.856 1.00 25.23 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? -22.983 -6.539 -7.929 1.00 26.85 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? -23.660 -5.375 -8.652 1.00 30.18 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? -25.153 -5.275 -8.343 1.00 33.80 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? -25.857 -6.311 -8.421 1.00 35.66 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? -25.628 -4.159 -8.022 1.00 35.65 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? -23.024 -8.321 -4.983 1.00 23.80 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? -23.635 -9.405 -4.221 1.00 22.77 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? -24.118 -8.964 -2.835 1.00 21.53 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? -24.675 -9.764 -2.087 1.00 20.92 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? -22.665 -10.578 -4.107 1.00 22.73 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? -22.455 -11.284 -5.431 1.00 23.94 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? -23.383 -11.283 -6.262 1.00 24.18 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? -21.358 -11.825 -5.648 1.00 25.95 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? -23.916 -7.686 -2.519 1.00 20.40 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? -24.342 -7.122 -1.245 1.00 19.60 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? -25.352 -5.983 -1.416 1.00 19.35 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? -25.337 -5.271 -2.419 1.00 19.22 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? -23.120 -6.660 -0.439 1.00 19.13 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? -22.192 -7.781 -0.061 1.00 18.40 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? -22.336 -8.438 1.162 1.00 17.79 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? -21.183 -8.194 -0.931 1.00 18.13 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? -21.474 -9.487 1.515 1.00 17.28 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? -20.326 -9.241 -0.588 1.00 17.62 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? -20.471 -9.884 0.637 1.00 17.82 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? -26.247 -5.848 -0.444 1.00 18.93 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? -27.199 -4.740 -0.411 1.00 19.23 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? -27.169 -4.051 0.952 1.00 19.06 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? -26.834 -4.672 1.963 1.00 18.83 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? -28.627 -5.234 -0.714 1.00 19.32 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? -28.861 -5.675 -2.161 1.00 19.66 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? -28.758 -4.510 -3.129 1.00 22.92 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? -28.919 -4.914 -4.525 1.00 25.79 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? -27.921 -5.050 -5.397 1.00 27.25 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? -26.665 -4.827 -5.031 1.00 28.34 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? -28.183 -5.417 -6.647 1.00 29.00 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? -27.539 -2.773 0.970 1.00 19.00 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? -27.730 -2.034 2.216 1.00 18.79 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? -29.204 -1.927 2.580 1.00 18.86 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? -30.075 -1.761 1.707 1.00 18.70 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? -27.116 -0.631 2.128 1.00 19.05 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? -25.654 -0.477 1.699 1.00 18.35 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? -25.286 0.997 1.618 1.00 18.19 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? -24.705 -1.207 2.647 1.00 17.29 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? -29.477 -2.001 3.876 1.00 18.51 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? -30.839 -1.852 4.377 1.00 18.67 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -31.084 -0.420 4.815 1.00 18.88 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? -30.408 0.088 5.712 1.00 18.54 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -31.083 -2.808 5.538 1.00 18.42 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? -30.749 -4.284 5.330 1.00 18.05 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -31.103 -5.034 6.604 1.00 18.14 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -31.495 -4.882 4.118 1.00 17.36 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -32.054 0.235 4.181 1.00 19.68 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -32.386 1.615 4.531 1.00 20.22 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -33.491 1.618 5.576 1.00 20.97 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -34.298 0.681 5.655 1.00 21.79 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -32.812 2.425 3.295 1.00 20.48 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -31.891 2.133 1.759 1.00 19.81 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -33.533 2.672 6.381 1.00 21.64 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -34.529 2.783 7.440 1.00 22.33 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -35.977 2.824 6.928 1.00 22.88 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -36.895 2.424 7.650 1.00 23.22 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -34.220 3.976 8.351 1.00 22.47 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -32.999 3.826 9.269 1.00 21.91 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -32.764 5.108 10.048 1.00 24.30 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -33.144 2.645 10.212 1.00 22.17 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -36.172 3.266 5.685 1.00 23.44 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -37.511 3.256 5.068 1.00 23.96 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -37.946 1.885 4.517 1.00 24.24 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -38.984 1.776 3.861 1.00 24.31 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -37.641 4.348 3.998 1.00 23.99 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -36.749 4.113 2.789 1.00 24.40 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -36.029 3.100 2.738 1.00 26.39 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -36.760 4.962 1.875 1.00 25.43 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -37.153 0.847 4.779 1.00 24.13 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -37.517 -0.511 4.394 1.00 24.74 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -37.082 -0.876 2.990 1.00 25.01 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -37.415 -1.943 2.493 1.00 25.43 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -36.324 0.022 2.367 1.00 25.17 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -35.813 -0.125 1.008 1.00 25.39 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -34.457 -0.854 1.018 1.00 24.77 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -33.766 -0.851 2.032 1.00 24.56 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -35.717 1.291 0.353 1.00 25.67 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -36.975 1.628 -0.268 1.00 27.80 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -34.598 1.398 -0.655 1.00 27.09 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -34.112 -1.501 -0.098 1.00 24.27 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -32.784 -2.106 -0.304 1.00 24.09 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -32.023 -1.374 -1.414 1.00 24.03 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -32.561 -1.167 -2.504 1.00 23.90 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -32.911 -3.581 -0.689 1.00 24.01 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -33.410 -4.492 0.409 1.00 23.70 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -33.999 -5.770 -0.164 1.00 23.65 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -33.055 -6.536 -0.976 1.00 23.74 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -32.401 -7.626 -0.570 1.00 24.53 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -32.549 -8.093 0.666 1.00 22.76 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -31.577 -8.246 -1.407 1.00 24.73 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? -30.775 -0.990 -1.146 1.00 23.71 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? -29.960 -0.276 -2.142 1.00 23.92 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? -28.581 -0.901 -2.353 1.00 23.35 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? -28.053 -1.554 -1.444 1.00 22.63 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? -29.806 1.212 -1.768 1.00 24.01 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -31.074 2.031 -1.939 1.00 24.56 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -30.827 3.524 -1.703 1.00 25.64 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -32.000 4.364 -2.200 1.00 28.60 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -31.704 5.834 -2.139 1.00 31.36 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? -27.994 -0.716 -3.559 1.00 23.41 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? -26.602 -1.102 -3.778 1.00 23.46 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? -25.671 -0.352 -2.840 1.00 23.51 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? -26.032 0.710 -2.323 1.00 23.36 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? -26.336 -0.672 -5.228 1.00 23.45 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? -27.681 -0.702 -5.869 1.00 24.25 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? -28.597 -0.179 -4.795 1.00 23.51 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? -24.478 -0.898 -2.646 1.00 23.36 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? -23.540 -0.383 -1.651 1.00 23.67 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? -22.867 0.925 -2.085 1.00 23.85 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? -22.092 1.508 -1.327 1.00 24.09 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? -22.504 -1.462 -1.231 1.00 23.79 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? -23.218 -2.710 -0.708 1.00 23.47 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? -21.579 -1.822 -2.389 1.00 23.72 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? -23.195 1.384 -3.297 1.00 23.62 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? -22.774 2.696 -3.812 1.00 23.85 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? -23.654 3.833 -3.286 1.00 23.57 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? -23.295 5.012 -3.390 1.00 23.73 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? -22.830 2.739 -5.355 1.00 23.94 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? -24.126 2.322 -5.792 1.00 24.23 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? -21.778 1.821 -5.972 1.00 24.42 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? -24.808 3.488 -2.758 1.00 23.09 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? -25.774 4.445 -2.260 1.00 22.95 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? -25.720 4.716 -0.748 1.00 21.99 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? -26.668 5.059 -0.170 1.00 21.97 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? -27.191 3.988 -2.576 1.00 23.46 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? -27.661 4.016 -3.991 1.00 26.98 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? -26.875 4.864 -4.861 1.00 29.86 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? -27.075 6.067 -4.796 1.00 31.53 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? -26.064 4.328 -5.601 1.00 33.31 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? -24.608 4.513 -0.119 1.00 20.98 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? -24.529 4.656 1.343 1.00 20.56 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? -24.883 6.061 1.878 1.00 19.95 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? -25.369 6.196 3.001 1.00 19.98 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? -23.171 4.207 1.854 1.00 20.56 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? -24.665 7.093 1.067 0.50 19.04 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? -24.967 8.462 1.487 0.50 18.78 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? -26.473 8.704 1.634 0.50 18.44 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? -26.892 9.640 2.313 0.50 17.82 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? -24.331 9.480 0.535 0.50 18.32 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? -24.211 10.896 1.100 0.50 19.42 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? -23.420 10.960 2.392 0.50 19.68 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? -23.956 11.313 3.439 0.50 20.25 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? -22.140 10.603 2.326 0.50 19.78 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? -27.274 7.844 1.006 1.00 18.95 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? -28.740 7.933 1.086 1.00 19.49 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? -29.399 6.738 1.789 1.00 19.42 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? -30.628 6.674 1.919 1.00 19.55 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? -29.344 8.144 -0.317 1.00 19.61 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? -29.087 7.041 -1.171 1.00 21.08 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? -28.578 5.800 2.260 1.00 19.42 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? -29.071 4.564 2.863 1.00 18.89 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? -28.165 4.093 4.007 1.00 18.55 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? -27.529 3.038 3.917 1.00 18.85 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? -29.189 3.477 1.791 1.00 19.45 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? -29.937 1.930 2.326 1.00 19.37 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? -28.106 4.891 5.071 1.00 17.82 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? -27.300 4.567 6.254 1.00 17.46 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? -28.135 4.678 7.512 1.00 17.21 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? -29.214 5.279 7.516 1.00 16.96 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? -26.075 5.489 6.368 1.00 17.48 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? -26.415 6.944 6.296 1.00 17.38 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? -26.212 7.695 5.161 1.00 19.36 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? -26.988 7.774 7.200 1.00 18.52 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? -26.632 8.930 5.370 1.00 17.42 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? -27.109 9.004 6.600 1.00 18.64 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? -27.621 4.103 8.590 1.00 17.11 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? -28.302 4.140 9.864 1.00 17.02 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? -27.976 5.403 10.640 1.00 17.32 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? -28.806 5.889 11.406 1.00 16.65 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? -27.949 2.912 10.709 1.00 17.08 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? -28.259 1.514 10.151 1.00 17.06 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? -28.122 0.483 11.260 1.00 16.05 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? -29.629 1.433 9.509 1.00 16.43 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? -26.761 5.915 10.453 1.00 17.20 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? -26.317 7.132 11.117 1.00 17.55 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? -24.974 7.547 10.544 1.00 17.62 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? -24.312 6.760 9.860 1.00 18.07 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? -26.185 6.900 12.647 1.00 17.19 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? -24.579 8.773 10.923 1.00 17.72 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? -23.176 9.196 10.687 1.00 17.84 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? -22.536 9.148 12.078 1.00 17.44 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? -23.075 9.695 13.040 1.00 16.71 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? -23.010 10.533 9.925 1.00 18.46 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? -21.544 10.922 9.825 1.00 20.48 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? -23.652 10.440 8.545 1.00 19.33 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? -21.334 8.462 12.114 1.00 16.40 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? -20.607 8.219 13.365 1.00 15.69 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? -19.404 9.144 13.514 1.00 15.59 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? -18.741 9.451 12.516 1.00 15.66 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? -20.136 6.781 13.389 1.00 15.81 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? -19.088 9.562 14.761 1.00 15.05 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? -17.843 10.308 14.961 1.00 14.33 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? -16.667 9.344 14.797 1.00 14.09 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? -16.758 8.186 15.226 1.00 12.95 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? -17.953 10.820 16.398 1.00 14.77 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? -18.888 9.864 17.094 1.00 15.00 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? -19.828 9.346 16.022 1.00 15.59 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? -15.604 9.808 14.138 1.00 13.22 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? -14.425 8.981 13.885 1.00 13.92 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? -13.823 8.403 15.176 1.00 12.88 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? -13.906 9.024 16.240 1.00 13.18 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? -13.369 9.783 13.107 1.00 14.39 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? -13.700 9.928 11.622 1.00 17.79 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? -14.574 9.247 11.087 1.00 22.20 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? -12.972 10.803 10.945 1.00 21.75 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? -13.238 7.207 15.081 1.00 12.37 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? -12.439 6.645 16.170 1.00 11.90 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? -11.397 7.703 16.554 1.00 11.65 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? -10.890 8.428 15.680 1.00 11.74 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? -11.759 5.336 15.730 1.00 11.71 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? -12.657 4.175 15.413 1.00 11.69 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? -12.197 2.874 15.366 1.00 13.01 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? -13.988 4.110 15.165 1.00 9.83 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? -13.201 2.061 15.081 1.00 10.39 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? -14.293 2.786 14.939 1.00 10.54 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? -11.106 7.817 17.850 1.00 11.40 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? -10.170 8.833 18.350 1.00 11.68 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? -9.305 8.371 19.534 1.00 12.12 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? -9.689 7.473 20.300 1.00 11.99 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? -10.920 10.142 18.690 1.00 11.21 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? -8.127 8.983 19.662 1.00 13.02 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? -7.244 8.746 20.811 1.00 12.98 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? -7.796 9.429 22.075 1.00 13.31 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? -8.175 10.613 22.047 1.00 12.63 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? -5.791 9.236 20.533 1.00 13.71 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? -4.874 8.978 21.737 1.00 12.98 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? -5.207 8.575 19.279 1.00 13.29 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? -7.847 8.685 23.179 1.00 13.09 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? -8.178 9.291 24.469 1.00 13.41 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? -7.034 9.090 25.471 1.00 13.72 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? -6.251 8.136 25.354 1.00 13.43 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? -9.512 8.767 25.074 1.00 13.21 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? -10.663 8.863 24.071 1.00 13.81 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? -9.347 7.329 25.610 1.00 13.24 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? -6.945 9.992 26.444 1.00 14.07 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? -5.971 9.885 27.539 1.00 15.13 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? -6.495 10.611 28.774 1.00 15.67 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? -7.570 11.232 28.732 1.00 15.27 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? -4.616 10.478 27.127 1.00 14.97 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? -4.682 11.900 27.044 1.00 16.44 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? -5.745 10.534 29.874 1.00 16.40 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? -6.022 11.394 31.021 1.00 17.87 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? -5.678 12.823 30.642 1.00 17.92 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? -4.736 13.053 29.876 1.00 17.59 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? -5.254 10.932 32.268 1.00 17.75 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? -6.073 9.943 33.110 1.00 18.71 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? -5.251 9.019 34.035 1.00 20.47 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? -4.390 9.742 34.960 1.00 20.74 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? -4.032 9.326 36.174 1.00 18.41 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? -4.483 8.189 36.696 1.00 17.86 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? -3.235 10.091 36.887 1.00 18.08 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? -6.457 13.712 31.186 1.00 18.05 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? -6.319 15.081 30.933 1.00 18.71 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? -4.891 15.593 31.181 1.00 18.72 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? -4.386 16.360 30.427 1.00 18.33 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? -7.383 15.811 31.743 1.00 18.67 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? -6.962 17.081 31.927 1.00 20.36 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? -4.284 15.109 32.250 1.00 19.85 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? -2.932 15.413 32.628 1.00 20.57 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? -1.866 14.923 31.650 1.00 20.32 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? -0.783 15.392 31.675 1.00 20.80 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? -2.620 14.993 34.082 1.00 21.09 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? -3.453 13.779 34.575 1.00 24.03 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? -2.879 12.686 34.762 1.00 24.24 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? -4.658 13.939 34.758 1.00 25.30 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? -2.213 13.971 30.804 1.00 19.63 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? -1.280 13.386 29.825 1.00 19.28 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? -1.567 13.764 28.358 1.00 18.99 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? -0.751 13.492 27.468 1.00 18.52 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? -1.235 11.855 29.979 1.00 19.38 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? -0.648 11.363 31.299 1.00 19.39 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 0.859 11.631 31.381 1.00 19.91 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 1.616 10.669 30.574 1.00 19.35 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 2.887 10.814 30.209 1.00 20.22 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 3.572 11.908 30.557 1.00 19.80 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 3.472 9.863 29.481 1.00 17.96 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? -2.715 14.396 28.125 1.00 18.53 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? -3.211 14.703 26.772 1.00 17.94 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? -2.235 15.486 25.903 1.00 17.92 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? -2.015 15.144 24.746 1.00 17.07 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? -4.540 15.439 26.857 1.00 17.91 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? -1.652 16.538 26.467 1.00 18.12 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? -0.751 17.405 25.720 1.00 18.53 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 0.476 16.637 25.256 1.00 18.69 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 0.928 16.791 24.122 1.00 18.96 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? -0.334 18.614 26.577 1.00 18.92 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 1.002 15.797 26.138 1.00 18.84 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 2.215 15.052 25.847 1.00 19.41 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 1.962 13.883 24.885 1.00 18.62 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 2.779 13.601 24.004 1.00 18.63 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 2.841 14.571 27.147 1.00 19.88 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 3.913 13.607 26.791 1.00 22.98 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 3.996 12.354 27.355 1.00 26.45 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 4.934 13.696 25.908 1.00 25.58 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 5.026 11.714 26.841 1.00 25.76 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 5.614 12.508 25.962 1.00 27.51 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 0.835 13.204 25.069 1.00 17.91 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 0.396 12.153 24.135 1.00 17.11 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 0.234 12.725 22.718 1.00 17.59 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 0.665 12.101 21.737 1.00 17.10 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? -0.909 11.461 24.629 1.00 17.21 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? -1.449 10.472 23.576 1.00 15.47 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? -0.653 10.738 25.956 1.00 14.90 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? -0.351 13.921 22.618 1.00 18.22 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? -0.560 14.581 21.329 1.00 19.60 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 0.783 14.887 20.649 1.00 19.75 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 0.976 14.587 19.476 1.00 19.44 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? -1.425 15.849 21.483 1.00 19.50 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? -1.672 16.621 20.159 1.00 21.58 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? -2.571 17.862 20.293 1.00 22.81 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? -3.162 18.085 21.376 1.00 27.98 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? -2.688 18.629 19.297 1.00 27.04 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 1.707 15.470 21.404 1.00 19.74 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 3.031 15.831 20.879 1.00 20.78 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 3.763 14.622 20.272 1.00 19.75 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 4.194 14.662 19.114 1.00 19.38 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 3.839 16.484 22.005 1.00 20.46 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 5.337 16.602 21.775 1.00 22.70 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 6.039 17.153 23.000 1.00 23.11 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 6.359 18.344 23.064 1.00 27.63 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 6.268 16.294 23.992 1.00 26.04 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 3.862 13.549 21.057 1.00 19.58 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 4.494 12.289 20.660 1.00 19.13 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 3.842 11.650 19.425 1.00 19.21 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 4.543 11.161 18.527 1.00 18.61 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 4.514 11.276 21.852 1.00 18.89 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 5.010 9.883 21.415 1.00 18.72 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 5.377 11.809 22.982 1.00 19.26 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 2.510 11.650 19.382 1.00 19.33 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 1.777 11.023 18.269 1.00 19.53 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 1.979 11.740 16.939 1.00 19.37 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 2.172 11.095 15.915 1.00 18.86 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 0.281 10.896 18.596 1.00 19.61 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? -0.163 9.568 19.231 1.00 19.74 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 0.713 9.128 20.402 1.00 22.60 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? -1.630 9.631 19.673 1.00 19.96 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 1.923 13.071 16.958 1.00 19.66 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 2.193 13.870 15.756 1.00 20.21 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 3.591 13.555 15.202 1.00 20.28 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 3.773 13.402 13.980 1.00 20.61 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 1.998 15.373 16.040 1.00 20.22 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 0.591 15.857 16.438 1.00 21.01 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 0.608 17.328 16.854 1.00 22.25 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? -0.438 15.631 15.330 1.00 21.27 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 4.561 13.405 16.101 1.00 20.60 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 5.910 12.985 15.710 1.00 21.19 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 5.962 11.530 15.223 1.00 20.78 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 6.621 11.237 14.221 1.00 20.00 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 6.928 13.223 16.836 1.00 21.86 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 8.318 12.762 16.501 1.00 24.71 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 9.072 13.334 15.499 1.00 27.63 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 9.081 11.773 17.024 1.00 26.38 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 10.242 12.726 15.425 1.00 27.32 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 10.273 11.774 16.340 1.00 27.58 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 5.271 10.626 15.923 1.00 19.70 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 5.251 9.213 15.543 1.00 19.46 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 4.638 8.971 14.151 1.00 19.38 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 5.132 8.138 13.391 1.00 18.92 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 4.552 8.352 16.614 1.00 19.69 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 5.393 8.105 17.883 1.00 19.65 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 6.761 7.474 17.605 1.00 21.11 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 6.856 6.384 17.043 1.00 21.21 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 7.821 8.157 18.022 1.00 21.32 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 3.590 9.718 13.805 1.00 19.60 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 3.008 9.593 12.466 1.00 20.32 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 3.862 10.237 11.363 1.00 20.53 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 3.879 9.755 10.231 1.00 20.94 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 1.555 10.064 12.415 1.00 20.03 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 1.318 11.551 12.610 1.00 20.30 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? -0.156 11.903 12.497 1.00 20.66 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? -1.011 11.020 12.365 1.00 21.07 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? -0.463 13.192 12.562 1.00 19.51 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 4.566 11.318 11.691 1.00 20.90 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 5.542 11.894 10.756 1.00 21.73 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 6.576 10.834 10.329 1.00 22.02 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 7.041 10.825 9.182 1.00 22.72 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 6.212 13.118 11.367 1.00 21.65 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 6.889 9.916 11.241 1.00 22.35 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 7.815 8.824 10.968 1.00 22.88 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 7.163 7.599 10.310 1.00 23.61 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 7.682 7.089 9.308 1.00 23.74 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 8.550 8.399 12.246 1.00 22.93 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 9.366 9.440 13.029 1.00 22.95 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 10.033 8.782 14.222 1.00 24.18 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 10.407 10.139 12.152 1.00 24.27 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 6.041 7.131 10.862 1.00 23.81 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 5.465 5.838 10.447 1.00 24.17 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 4.033 5.895 9.881 1.00 24.96 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 3.448 4.849 9.579 1.00 24.66 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 5.541 4.805 11.594 1.00 24.22 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 6.862 4.789 12.335 1.00 24.02 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 8.033 4.381 11.703 1.00 24.50 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 6.927 5.182 13.678 1.00 24.54 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 9.254 4.376 12.387 1.00 24.14 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 8.142 5.167 14.371 1.00 24.51 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 9.300 4.761 13.725 1.00 24.51 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 3.481 7.096 9.727 1.00 25.63 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 2.164 7.277 9.104 1.00 27.42 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 2.144 7.145 7.585 1.00 28.84 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 3.110 6.677 6.977 1.00 28.56 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 1.043 7.576 6.973 1.00 30.60 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 0.815 7.397 5.528 1.00 32.57 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 2.023 7.712 4.632 1.00 33.54 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 2.551 6.821 3.961 1.00 34.02 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? -0.434 8.149 5.061 1.00 32.94 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? -0.695 8.002 3.568 1.00 34.21 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? -2.162 7.802 3.271 1.00 36.13 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? -2.353 7.264 1.862 1.00 37.38 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? -1.712 8.132 0.834 1.00 38.52 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 2.453 8.971 4.625 1.00 34.73 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 3.675 9.362 3.908 1.00 35.76 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 4.866 9.448 4.857 1.00 35.82 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 5.767 10.276 4.682 1.00 35.97 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 3.472 10.687 3.160 1.00 36.02 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 2.526 10.557 1.980 1.00 37.24 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 2.432 9.496 1.353 1.00 38.55 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 1.824 11.644 1.663 1.00 38.01 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 4.861 8.573 5.860 1.00 35.82 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 5.867 8.566 6.909 1.00 35.91 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 7.281 8.401 6.395 1.00 36.12 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 7.524 7.679 5.423 1.00 35.95 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 8.210 9.079 7.062 1.00 36.35 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 9.634 9.013 6.731 1.00 36.62 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 10.161 7.580 6.660 1.00 36.26 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 10.973 7.258 5.793 1.00 36.64 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 10.461 9.817 7.741 1.00 36.75 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 10.753 11.258 7.335 1.00 37.91 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 9.873 12.262 8.065 1.00 39.57 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 10.442 13.670 7.929 1.00 39.76 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 9.503 14.733 8.413 1.00 40.52 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 9.696 6.733 7.577 1.00 35.76 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 10.155 5.350 7.679 1.00 35.32 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 9.087 4.285 7.411 1.00 34.54 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 9.332 3.104 7.653 1.00 34.21 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 10.755 5.094 9.066 1.00 35.73 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 12.026 5.885 9.320 1.00 37.33 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 12.648 6.413 8.397 1.00 39.17 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 12.422 5.962 10.588 1.00 39.90 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 7.911 4.679 6.960 1.00 33.78 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 6.814 3.765 6.783 1.00 34.17 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 7.029 2.661 5.765 1.00 35.16 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 7.072 1.484 6.141 1.00 35.61 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 5.551 4.547 6.410 1.00 33.80 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 4.193 3.436 5.929 1.00 31.15 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 6.996 3.003 4.502 1.00 35.55 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 6.896 1.946 3.536 1.00 36.08 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 7.918 0.868 3.873 1.00 36.30 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 7.856 -0.228 3.386 1.00 37.06 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 7.155 2.657 2.235 1.00 36.03 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 6.512 3.930 2.428 1.00 35.86 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 6.633 4.286 3.926 1.00 35.63 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 8.801 1.184 4.773 1.00 36.27 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 10.183 0.893 4.613 1.00 36.06 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 10.671 0.129 5.832 1.00 35.29 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 11.168 -0.957 5.743 1.00 35.34 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 10.865 2.226 4.469 1.00 36.52 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 12.245 2.108 4.138 1.00 38.18 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 12.975 1.726 5.036 1.00 40.67 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 12.613 2.391 2.992 1.00 38.82 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 10.471 0.718 6.985 1.00 34.12 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 10.663 0.086 8.294 1.00 33.04 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 9.354 -0.341 8.962 1.00 31.71 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 9.147 -1.526 9.215 1.00 31.89 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 11.482 0.988 9.229 1.00 33.18 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 12.925 1.231 8.763 1.00 33.66 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 13.702 2.137 9.728 1.00 33.69 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 14.569 1.331 10.693 1.00 35.99 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 15.453 2.190 11.544 1.00 36.53 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 8.457 0.610 9.194 1.00 30.21 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 7.225 0.313 9.933 1.00 28.50 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 6.128 1.312 9.593 1.00 27.68 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 6.383 2.515 9.530 1.00 27.27 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 7.499 0.313 11.445 1.00 28.24 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 6.275 0.074 12.295 1.00 27.29 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 5.729 -1.202 12.415 1.00 27.32 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 5.678 1.123 12.983 1.00 26.32 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 4.595 -1.422 13.200 1.00 26.09 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 4.550 0.914 13.770 1.00 25.80 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 4.008 -0.362 13.881 1.00 26.29 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 4.929 0.786 9.370 1.00 26.36 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 3.750 1.602 9.084 1.00 25.50 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 2.713 1.480 10.203 1.00 24.25 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 2.162 0.404 10.437 1.00 23.19 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 3.139 1.209 7.743 1.00 25.88 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 4.281 1.453 6.366 1.00 28.69 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 2.475 2.601 10.876 1.00 23.12 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 1.581 2.520 12.028 1.00 22.59 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 0.131 2.270 11.612 1.00 22.21 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? -0.643 1.679 12.367 1.00 21.58 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 1.672 3.807 12.853 1.00 22.68 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 0.833 3.950 14.129 1.00 23.73 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 1.253 2.902 15.149 1.00 22.67 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 0.893 5.348 14.735 1.00 21.44 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? -0.250 2.659 10.397 1.00 21.82 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? -1.631 2.516 9.948 1.00 22.19 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? -1.847 1.328 8.994 1.00 22.85 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? -2.808 1.296 8.225 1.00 22.74 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? -2.135 3.838 9.364 1.00 21.70 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? -1.953 5.025 10.286 1.00 22.00 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? -2.405 4.982 11.611 1.00 21.07 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? -1.345 6.198 9.825 1.00 22.46 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? -2.231 6.082 12.471 1.00 21.74 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? -1.185 7.310 10.669 1.00 22.08 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? -1.623 7.245 12.003 1.00 21.47 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? -0.956 0.372 9.006 1.00 23.51 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? -1.218 -0.888 8.376 1.00 24.95 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? -1.106 -2.099 9.311 1.00 25.31 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? -0.411 -2.040 10.305 1.00 24.89 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? -0.428 -1.044 7.088 1.00 25.54 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? -0.589 0.117 6.075 1.00 27.13 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? -2.000 0.283 5.524 1.00 29.93 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? -2.319 1.719 4.999 1.00 32.35 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? -2.450 2.943 5.849 1.00 32.13 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? -1.854 -3.140 8.979 1.00 26.04 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? -1.864 -4.431 9.651 1.00 27.20 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? -2.596 -5.517 8.842 1.00 28.13 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? -3.425 -6.215 9.349 1.00 28.76 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? -2.497 -4.335 11.011 1.00 27.15 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? -3.685 -3.619 11.020 1.00 26.93 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? -2.337 -5.552 7.553 0.50 28.60 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? -3.031 -6.445 6.595 0.50 29.11 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? -4.538 -6.553 6.870 0.50 29.12 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? -5.016 -7.592 7.328 0.50 29.15 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? -2.434 -7.855 6.593 0.50 29.10 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? -0.953 -7.976 6.824 0.50 30.31 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? -0.627 -9.306 7.472 0.50 31.70 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 0.417 -9.900 7.129 0.50 32.25 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? -1.425 -9.760 8.327 0.50 32.19 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? -5.361 -5.521 6.675 1.00 29.36 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? -6.812 -5.398 6.976 1.00 29.51 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? -7.268 -5.895 8.390 1.00 28.54 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? -8.466 -5.985 8.652 1.00 29.42 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? -7.653 -6.112 5.878 1.00 29.77 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? -7.385 -5.495 4.608 1.00 32.35 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? -9.132 -6.023 6.209 1.00 30.30 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? -6.392 -5.962 9.326 1.00 26.65 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? -6.898 -6.354 10.567 1.00 24.17 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? -7.233 -5.156 11.467 1.00 21.87 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? -7.667 -5.359 12.570 1.00 20.92 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? -5.897 -7.294 11.194 1.00 24.29 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? -5.623 -8.554 10.484 1.00 26.03 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? -4.686 -9.370 11.312 1.00 25.70 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? -4.468 -10.706 10.720 1.00 29.81 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? -4.193 -11.790 11.634 1.00 30.74 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? -7.035 -3.926 10.985 1.00 18.83 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? -7.386 -2.741 11.799 1.00 16.96 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? -6.861 -2.786 13.246 1.00 16.07 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? -7.621 -2.588 14.215 1.00 15.63 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? -8.905 -2.501 11.795 1.00 16.16 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? -9.478 -2.327 10.398 1.00 15.49 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? -10.499 -2.939 10.049 1.00 18.42 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? -8.856 -1.478 9.606 1.00 12.71 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? -5.565 -3.048 13.390 1.00 14.60 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? -4.942 -3.184 14.713 1.00 14.13 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? -4.374 -1.853 15.184 1.00 13.77 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? -3.594 -1.221 14.463 1.00 13.28 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? -3.839 -4.253 14.707 1.00 14.00 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? -4.216 -5.697 14.352 1.00 14.00 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? -2.953 -6.536 14.268 1.00 12.49 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? -5.204 -6.301 15.354 1.00 14.70 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? -4.782 -1.443 16.390 1.00 13.20 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? -4.423 -0.147 17.011 1.00 12.64 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? -5.151 1.046 16.391 1.00 12.24 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? -5.675 1.900 17.114 1.00 11.69 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? -2.905 0.092 17.000 1.00 12.66 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? -2.014 -0.904 17.756 1.00 12.71 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? -0.557 -0.458 17.694 1.00 12.97 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? -2.477 -1.067 19.209 1.00 12.13 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? -5.133 1.103 15.058 1.00 11.71 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? -5.847 2.096 14.262 1.00 11.94 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? -6.476 1.393 13.083 1.00 12.06 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? -6.051 0.296 12.718 1.00 12.28 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? -4.897 3.177 13.737 1.00 11.66 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? -4.108 3.844 14.807 1.00 13.21 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? -4.657 4.901 15.526 1.00 13.01 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? -2.833 3.397 15.129 1.00 12.09 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? -3.943 5.521 16.536 1.00 12.14 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? -2.107 4.017 16.146 1.00 13.64 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? -2.672 5.076 16.845 1.00 11.76 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? -7.492 2.021 12.497 1.00 12.02 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? -8.072 1.532 11.252 1.00 12.94 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? -7.058 1.662 10.133 1.00 13.41 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? -6.360 2.671 10.033 1.00 12.71 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? -9.342 2.310 10.910 1.00 12.60 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? -10.530 1.861 11.739 1.00 12.00 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? -10.812 0.663 11.837 1.00 12.03 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? -11.233 2.815 12.335 1.00 11.40 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? -6.996 0.634 9.294 1.00 14.85 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? -6.034 0.577 8.195 1.00 15.75 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? -6.276 1.651 7.132 1.00 15.94 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? -5.377 1.944 6.329 1.00 16.02 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? -6.037 -0.813 7.551 1.00 16.14 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? -5.593 -1.905 8.505 1.00 17.65 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? -4.756 -1.659 9.402 1.00 16.43 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? -6.103 -3.025 8.360 1.00 20.66 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? -7.472 2.238 7.125 1.00 15.77 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? -7.764 3.346 6.215 1.00 16.78 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? -7.431 4.743 6.761 1.00 17.10 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? -7.725 5.752 6.115 1.00 17.44 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? -9.204 3.268 5.667 1.00 16.42 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? -10.267 3.564 6.722 1.00 17.32 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? -9.980 3.686 7.917 1.00 16.61 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? -11.511 3.658 6.276 1.00 17.06 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? -6.813 4.798 7.943 1.00 17.66 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? -6.417 6.070 8.542 1.00 18.03 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? -5.307 6.737 7.716 1.00 18.37 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? -4.244 6.155 7.525 1.00 18.45 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? -5.926 5.883 9.999 1.00 17.66 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? -6.931 5.197 10.764 1.00 17.42 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? -5.616 7.241 10.643 1.00 17.85 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? -5.568 7.949 7.231 1.00 19.28 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? -4.543 8.743 6.516 1.00 20.76 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? -3.627 9.429 7.522 1.00 20.39 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? -2.412 9.509 7.319 1.00 21.19 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? -5.196 9.795 5.603 1.00 20.58 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? -4.349 10.792 4.825 1.00 22.90 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? -4.748 11.907 3.867 1.00 23.13 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? -5.960 12.147 3.650 1.00 26.53 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? -3.821 12.567 3.333 1.00 28.85 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? -4.224 9.937 8.602 1.00 20.04 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? -3.488 10.560 9.695 1.00 19.71 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? -4.371 10.694 10.923 1.00 18.97 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? -5.588 10.510 10.852 1.00 18.74 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? -2.972 11.957 9.294 1.00 19.83 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? -4.227 13.269 9.275 1.00 22.03 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? -3.744 11.033 12.043 1.00 18.57 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? -4.467 11.480 13.220 1.00 18.51 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? -4.538 13.006 13.146 1.00 19.16 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? -3.510 13.685 12.990 1.00 19.50 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? -3.775 11.002 14.498 1.00 18.21 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? -3.668 9.481 14.684 1.00 17.56 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? -2.658 9.149 15.786 1.00 19.36 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? -5.031 8.846 14.971 1.00 17.71 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? -5.753 13.539 13.215 1.00 19.57 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? -5.974 14.974 13.023 1.00 20.11 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? -6.253 15.711 14.325 1.00 20.52 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? -6.847 15.159 15.255 1.00 20.14 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? -7.112 15.212 12.020 1.00 20.01 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? -5.830 16.970 14.380 1.00 21.52 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? -6.106 17.826 15.524 1.00 22.03 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? -7.605 18.093 15.633 1.00 22.55 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? -8.324 18.129 14.621 1.00 21.85 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? -5.330 19.141 15.411 1.00 22.69 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? -3.821 18.990 15.602 1.00 24.22 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? -3.132 20.338 15.493 1.00 27.01 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? -1.750 20.319 16.115 1.00 29.39 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? -1.303 21.707 16.454 1.00 30.74 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? -8.071 18.282 16.863 1.00 22.79 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? -9.497 18.438 17.120 1.00 23.67 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? -10.019 19.872 16.973 1.00 24.79 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? -10.987 20.101 16.255 1.00 25.91 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? -9.873 17.847 18.481 1.00 23.15 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? -9.430 16.396 18.717 1.00 22.38 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? -9.602 16.017 20.167 1.00 21.39 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? -10.176 15.432 17.819 1.00 21.97 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? -9.395 20.835 17.645 1.00 25.53 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? -9.914 22.216 17.621 1.00 26.23 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? -11.219 22.398 18.388 1.00 25.96 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? -12.147 21.585 18.287 1.00 26.61 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? -11.129 23.488 19.151 1.00 25.49 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? -12.256 23.799 20.025 1.00 24.42 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? -12.060 23.088 21.352 1.00 23.67 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? -12.969 23.059 22.184 1.00 23.43 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? -10.931 22.398 21.472 1.00 22.56 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? -10.533 21.558 22.608 1.00 22.07 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? -11.750 20.855 23.208 1.00 19.98 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? -12.123 21.137 24.348 1.00 20.08 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? -9.798 22.384 23.671 1.00 22.34 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? -8.430 22.899 23.234 1.00 24.58 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? -7.632 23.466 24.401 1.00 24.76 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? -6.350 24.020 23.957 1.00 30.78 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? -5.259 23.300 23.697 1.00 33.95 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? -5.268 21.977 23.827 1.00 35.95 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? -4.147 23.907 23.292 1.00 36.24 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? -12.373 19.933 22.436 1.00 18.40 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? -13.692 19.435 22.834 1.00 17.19 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? -13.675 18.460 23.997 1.00 16.25 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? -12.746 17.647 24.152 1.00 15.55 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? -14.213 18.738 21.569 1.00 17.22 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? -12.965 18.294 20.846 1.00 17.43 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? -11.895 19.311 21.185 1.00 17.88 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? -14.725 18.558 24.800 1.00 15.19 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? -15.062 17.561 25.793 1.00 14.45 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? -15.475 16.296 25.037 1.00 14.61 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? -15.761 16.358 23.834 1.00 13.42 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? -16.247 18.041 26.648 1.00 14.42 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? -17.400 18.192 25.809 1.00 12.74 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? -15.931 19.394 27.288 1.00 14.29 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? -15.535 15.156 25.725 1.00 14.82 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? -15.948 13.929 25.047 1.00 15.15 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? -17.370 14.058 24.479 1.00 15.96 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? -17.658 13.515 23.409 1.00 15.54 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? -15.796 12.689 25.946 1.00 15.24 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? -17.018 12.487 26.830 1.00 14.94 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? -18.042 11.620 26.445 1.00 15.08 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? -17.141 13.157 28.051 1.00 14.33 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? -19.172 11.424 27.254 1.00 14.79 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? -18.273 12.961 28.875 1.00 15.52 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? -19.271 12.094 28.461 1.00 16.20 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? -20.382 11.897 29.248 1.00 15.41 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? -18.244 14.786 25.184 1.00 16.29 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? -19.619 15.021 24.721 1.00 17.59 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? -19.681 15.852 23.436 1.00 16.89 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? -20.439 15.518 22.520 1.00 17.20 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? -20.460 15.690 25.807 1.00 17.63 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? -20.802 14.785 26.999 1.00 19.39 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? -21.683 15.489 28.024 1.00 21.29 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? -21.530 16.722 28.211 1.00 28.21 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? -22.541 14.816 28.645 1.00 26.96 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? -18.886 16.922 23.373 1.00 16.26 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? -18.776 17.745 22.163 1.00 16.10 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? -18.193 16.957 20.991 1.00 15.98 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? -18.651 17.111 19.846 1.00 15.42 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? -17.927 18.986 22.428 1.00 15.98 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? -18.458 20.149 23.237 1.00 15.75 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? -17.628 21.352 23.589 1.00 16.16 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? -16.494 21.176 24.090 1.00 15.21 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? -18.098 22.478 23.345 1.00 16.73 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? -17.208 16.100 21.277 1.00 15.29 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? -16.623 15.244 20.237 1.00 15.53 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? -17.635 14.260 19.638 1.00 16.00 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? -17.690 14.070 18.416 1.00 16.11 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? -15.375 14.479 20.725 1.00 14.93 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? -14.782 13.673 19.588 1.00 14.36 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? -14.028 14.299 18.591 1.00 15.19 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? -15.037 12.305 19.466 1.00 14.21 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? -13.518 13.587 17.520 1.00 14.60 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? -14.539 11.575 18.385 1.00 14.00 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? -13.780 12.225 17.416 1.00 14.63 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? -13.292 11.531 16.341 1.00 13.09 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? -18.411 13.617 20.501 1.00 16.79 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? -19.340 12.588 20.061 1.00 18.05 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? -20.581 13.234 19.449 1.00 19.58 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? -21.196 12.673 18.528 1.00 19.23 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? -19.712 11.676 21.231 1.00 17.98 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? -18.587 10.770 21.758 1.00 16.98 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? -19.061 9.964 22.963 1.00 16.17 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? -18.066 9.831 20.639 1.00 15.34 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? -20.919 14.417 19.967 1.00 20.25 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? -22.115 15.158 19.563 1.00 21.99 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? -23.293 14.846 20.461 1.00 22.87 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? -23.491 13.686 20.845 1.00 22.91 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? -24.091 15.869 20.775 1.00 24.06 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? -25.215 15.741 21.725 1.00 25.01 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? -26.214 14.672 21.285 1.00 25.24 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? -26.694 13.887 22.101 1.00 25.47 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? -25.962 17.088 21.945 1.00 25.46 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? -25.020 18.125 22.241 1.00 26.67 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? -26.946 16.980 23.099 1.00 25.63 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? -26.509 14.671 19.991 1.00 25.59 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? -27.316 13.658 19.311 1.00 26.00 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? -26.953 12.217 19.725 1.00 25.23 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? -27.755 11.505 20.348 1.00 25.22 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? -27.111 13.861 17.804 1.00 26.25 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? -27.863 12.931 16.872 1.00 27.57 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? -27.597 13.261 15.415 1.00 27.95 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? -28.567 13.442 14.652 1.00 30.80 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? -26.412 13.352 15.029 1.00 32.67 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? -25.733 11.810 19.384 1.00 24.20 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? -25.228 10.473 19.674 1.00 23.21 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? -25.196 10.163 21.172 1.00 23.31 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? -25.580 9.067 21.592 1.00 23.16 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? -23.842 10.284 19.023 1.00 22.19 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? -23.337 8.856 19.127 1.00 20.91 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? -24.224 7.767 19.133 1.00 21.02 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? -21.973 8.589 19.198 1.00 20.35 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? -23.759 6.455 19.227 1.00 19.44 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? -21.498 7.286 19.281 1.00 18.13 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? -22.389 6.228 19.298 1.00 19.81 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? -21.911 4.945 19.401 1.00 18.30 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? -24.763 11.140 21.969 1.00 23.61 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? -24.647 11.000 23.424 1.00 24.36 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? -25.978 10.617 24.072 1.00 24.99 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? -26.027 9.741 24.940 1.00 25.32 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? -24.073 12.304 24.070 1.00 24.15 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? -24.291 12.335 25.563 1.00 24.61 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? -22.593 12.441 23.757 1.00 23.50 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? -27.049 11.274 23.638 1.00 25.65 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? -28.379 11.012 24.186 1.00 26.57 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? -28.888 9.649 23.729 1.00 26.41 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? -29.551 8.953 24.491 1.00 27.29 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? -29.379 12.124 23.823 1.00 26.30 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? -29.162 12.367 22.429 1.00 28.39 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? -29.058 13.389 24.610 1.00 26.32 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? -28.552 9.279 22.495 1.00 26.53 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? -28.859 7.955 21.942 1.00 26.39 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? -28.210 6.827 22.745 1.00 26.35 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? -28.849 5.805 23.016 1.00 26.18 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? -28.435 7.876 20.480 1.00 26.34 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? -26.944 7.010 23.123 1.00 26.17 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? -26.256 6.031 23.957 1.00 26.22 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? -26.914 5.963 25.340 1.00 26.89 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? -27.253 4.880 25.817 1.00 27.03 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? -24.736 6.313 24.101 1.00 26.00 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? -24.042 6.302 22.732 1.00 25.93 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? -24.105 5.266 25.004 1.00 25.16 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? -22.591 6.796 22.748 1.00 25.78 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? -27.104 7.121 25.968 1.00 27.65 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? -27.736 7.190 27.291 1.00 28.36 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? -29.083 6.466 27.310 1.00 28.70 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? -29.357 5.676 28.222 1.00 29.08 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? -27.898 8.647 27.742 1.00 28.36 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? -29.904 6.739 26.296 1.00 29.33 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -31.221 6.113 26.138 1.00 29.67 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -31.148 4.586 26.020 1.00 29.54 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -31.954 3.869 26.625 1.00 29.21 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -31.954 6.708 24.929 1.00 30.30 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -32.699 8.010 25.259 1.00 31.86 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -33.603 8.027 26.097 1.00 33.93 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -32.342 9.094 24.571 1.00 33.06 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? -30.187 4.097 25.234 1.00 29.07 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? -29.958 2.657 25.102 1.00 28.62 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? -29.468 2.036 26.411 1.00 29.12 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? -29.946 0.972 26.813 1.00 28.61 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? -28.971 2.354 23.962 1.00 28.27 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? -28.594 0.884 23.720 1.00 27.56 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? -29.805 0.009 23.375 1.00 26.71 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? -27.524 0.771 22.634 1.00 27.07 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? -28.496 2.676 27.074 1.00 30.22 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? -27.948 2.145 28.332 1.00 31.42 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? -28.994 2.043 29.444 1.00 32.07 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? -28.743 1.382 30.459 1.00 32.24 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? -26.696 2.943 28.757 1.00 31.33 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? -25.570 2.979 27.721 1.00 32.27 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? -24.473 1.940 27.941 1.00 32.59 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? -23.400 2.032 26.855 1.00 32.70 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? -22.008 1.498 26.800 1.00 32.88 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? -30.154 2.679 29.283 1.00 33.12 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -31.260 2.551 30.246 1.00 34.19 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -31.849 1.136 30.291 1.00 34.82 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -32.585 0.790 31.225 1.00 35.02 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -32.371 3.567 29.950 1.00 34.21 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -32.001 5.022 30.229 1.00 35.22 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -33.194 5.838 30.741 1.00 36.82 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -34.308 5.999 29.704 1.00 37.37 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -33.994 7.023 28.674 1.00 38.66 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -31.517 0.324 29.288 1.00 35.23 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -32.017 -1.046 29.188 1.00 35.80 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -31.186 -2.062 29.968 1.00 36.56 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -31.699 -3.105 30.384 1.00 36.66 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -32.083 -1.480 27.723 1.00 35.64 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -33.350 -0.662 26.761 1.00 34.19 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? -29.903 -1.765 30.142 1.00 37.41 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? -28.975 -2.698 30.775 1.00 38.10 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? -28.894 -2.456 32.276 1.00 38.51 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? -29.893 -2.598 32.984 1.00 39.21 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? -27.591 -2.594 30.131 1.00 38.22 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? -27.639 -3.042 28.787 1.00 39.03 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? -28.046 7.844 36.786 1.00 44.98 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? -27.966 7.724 35.334 1.00 44.72 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? -26.607 8.187 34.803 1.00 44.29 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? -26.246 7.897 33.658 1.00 44.45 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? -29.102 8.511 34.669 1.00 44.82 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? -29.587 8.063 33.286 1.00 45.06 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? -30.388 6.769 33.374 1.00 45.18 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? -30.417 9.156 32.634 1.00 45.00 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? -25.859 8.901 35.644 1.00 43.60 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? -24.526 9.390 35.287 1.00 42.73 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? -23.462 8.981 36.310 1.00 41.77 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? -23.516 9.384 37.477 1.00 41.91 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? -24.530 10.914 35.079 1.00 43.06 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? -25.142 11.728 36.222 1.00 43.99 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? -24.757 13.197 36.177 1.00 44.90 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? -23.569 13.504 35.936 1.00 45.08 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? -25.645 14.048 36.396 1.00 45.53 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? -22.505 8.171 35.856 1.00 40.11 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? -21.390 7.692 36.682 1.00 38.44 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? -20.383 6.910 35.842 1.00 37.20 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? -20.702 6.455 34.740 1.00 36.89 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? -21.902 6.823 37.834 1.00 38.54 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? -19.170 6.759 36.369 1.00 35.15 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? -18.165 5.891 35.763 1.00 34.66 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? -18.542 4.433 36.011 1.00 34.86 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? -18.915 4.061 37.127 1.00 34.97 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? -16.774 6.190 36.331 1.00 33.92 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? -15.468 5.179 35.577 1.00 31.51 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? -18.446 3.618 34.962 1.00 34.82 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? -18.830 2.206 35.023 1.00 34.86 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? -17.894 1.367 35.895 1.00 34.95 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? -18.274 0.292 36.366 1.00 35.19 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? -18.916 1.622 33.618 1.00 34.77 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? -16.679 1.867 36.108 1.00 34.88 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? -15.668 1.156 36.888 1.00 34.72 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? -15.465 1.794 38.260 1.00 35.13 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? -15.401 3.017 38.387 1.00 35.74 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? -14.339 1.101 36.127 1.00 34.38 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? -14.485 0.761 34.667 1.00 33.18 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? -14.765 -0.543 34.264 1.00 32.80 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? -14.340 1.746 33.695 1.00 32.11 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? -14.900 -0.859 32.914 1.00 32.30 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? -14.473 1.440 32.342 1.00 31.49 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? -14.753 0.135 31.951 1.00 32.51 ? 686 PHE A CZ 1 HETATM 2605 C C1A . CTR B 2 . ? -21.261 19.566 19.146 1.00 33.91 ? 1 CTR A C1A 1 HETATM 2606 C C2A . CTR B 2 . ? -21.911 19.440 20.523 1.00 35.33 ? 1 CTR A C2A 1 HETATM 2607 C C3A . CTR B 2 . ? -22.042 20.803 21.203 1.00 35.18 ? 1 CTR A C3A 1 HETATM 2608 C C4A . CTR B 2 . ? -20.726 21.579 21.144 1.00 34.51 ? 1 CTR A C4A 1 HETATM 2609 C C5A . CTR B 2 . ? -20.167 21.592 19.720 1.00 34.36 ? 1 CTR A C5A 1 HETATM 2610 C C6A . CTR B 2 . ? -18.797 22.260 19.658 1.00 35.12 ? 1 CTR A C6A 1 HETATM 2611 O O2A . CTR B 2 . ? -23.208 18.869 20.354 1.00 33.58 ? 1 CTR A O2A 1 HETATM 2612 O O3A . CTR B 2 . ? -22.385 20.619 22.577 1.00 32.17 ? 1 CTR A O3A 1 HETATM 2613 O O4A . CTR B 2 . ? -20.950 22.918 21.576 1.00 34.16 ? 1 CTR A O4A 1 HETATM 2614 O O5A . CTR B 2 . ? -20.017 20.255 19.242 1.00 34.38 ? 1 CTR A O5A 1 HETATM 2615 O O6A . CTR B 2 . ? -18.339 22.227 18.318 1.00 35.73 ? 1 CTR A O6A 1 HETATM 2616 C C1B . CTR B 2 . ? -20.278 16.109 15.164 1.00 36.20 ? 1 CTR A C1B 1 HETATM 2617 C C2B . CTR B 2 . ? -19.092 16.893 15.726 1.00 36.47 ? 1 CTR A C2B 1 HETATM 2618 C C3B . CTR B 2 . ? -19.364 17.363 17.155 1.00 37.92 ? 1 CTR A C3B 1 HETATM 2619 C C4B . CTR B 2 . ? -20.733 18.035 17.266 1.00 36.11 ? 1 CTR A C4B 1 HETATM 2620 C C5B . CTR B 2 . ? -21.819 17.162 16.631 1.00 37.00 ? 1 CTR A C5B 1 HETATM 2621 C C6B . CTR B 2 . ? -23.173 17.863 16.625 1.00 35.03 ? 1 CTR A C6B 1 HETATM 2622 O O2B . CTR B 2 . ? -17.948 16.040 15.718 1.00 33.25 ? 1 CTR A O2B 1 HETATM 2623 O O3B . CTR B 2 . ? -18.372 18.317 17.539 1.00 32.09 ? 1 CTR A O3B 1 HETATM 2624 O O4B . CTR B 2 . ? -21.044 18.248 18.640 1.00 33.20 ? 1 CTR A O4B 1 HETATM 2625 O O5B . CTR B 2 . ? -21.478 16.870 15.275 1.00 37.56 ? 1 CTR A O5B 1 HETATM 2626 O O6B . CTR B 2 . ? -24.122 17.004 16.016 1.00 36.14 ? 1 CTR A O6B 1 HETATM 2627 C C1C . CTR B 2 . ? -22.969 13.317 12.930 1.00 35.18 ? 1 CTR A C1C 1 HETATM 2628 C C2C . CTR B 2 . ? -21.882 12.922 13.931 1.00 35.10 ? 1 CTR A C2C 1 HETATM 2629 C C3C . CTR B 2 . ? -20.493 13.324 13.430 1.00 34.81 ? 1 CTR A C3C 1 HETATM 2630 C C4C . CTR B 2 . ? -20.461 14.776 12.934 1.00 34.51 ? 1 CTR A C4C 1 HETATM 2631 C C5C . CTR B 2 . ? -21.670 15.152 12.059 1.00 35.21 ? 1 CTR A C5C 1 HETATM 2632 C C6C . CTR B 2 . ? -21.550 14.684 10.610 1.00 34.15 ? 1 CTR A C6C 1 HETATM 2633 O O1C . CTR B 2 . ? -24.239 12.985 13.488 1.00 35.12 ? 1 CTR A O1C 1 HETATM 2634 O O2C . CTR B 2 . ? -22.135 13.554 15.188 1.00 34.52 ? 1 CTR A O2C 1 HETATM 2635 O O3C . CTR B 2 . ? -20.121 12.439 12.377 1.00 34.27 ? 1 CTR A O3C 1 HETATM 2636 O O4C . CTR B 2 . ? -20.008 15.830 13.791 1.00 34.05 ? 1 CTR A O4C 1 HETATM 2637 O O5C . CTR B 2 . ? -22.903 14.714 12.644 1.00 34.05 ? 1 CTR A O5C 1 HETATM 2638 O O6C . CTR B 2 . ? -20.405 15.287 10.036 1.00 35.11 ? 1 CTR A O6C 1 HETATM 2639 C C1 . NAG C 3 . ? 14.065 14.816 19.429 1.00 46.23 ? 2 NAG A C1 1 HETATM 2640 C C2 . NAG C 3 . ? 15.019 15.909 19.928 1.00 47.39 ? 2 NAG A C2 1 HETATM 2641 C C3 . NAG C 3 . ? 14.663 17.270 19.315 1.00 48.46 ? 2 NAG A C3 1 HETATM 2642 C C4 . NAG C 3 . ? 14.250 17.202 17.840 1.00 48.83 ? 2 NAG A C4 1 HETATM 2643 C C5 . NAG C 3 . ? 13.319 16.014 17.581 1.00 48.28 ? 2 NAG A C5 1 HETATM 2644 C C6 . NAG C 3 . ? 12.832 15.889 16.132 1.00 48.56 ? 2 NAG A C6 1 HETATM 2645 C C7 . NAG C 3 . ? 15.720 15.301 22.222 1.00 47.96 ? 2 NAG A C7 1 HETATM 2646 C C8 . NAG C 3 . ? 15.742 15.770 23.647 1.00 47.58 ? 2 NAG A C8 1 HETATM 2647 N N2 . NAG C 3 . ? 14.960 16.014 21.382 1.00 47.52 ? 2 NAG A N2 1 HETATM 2648 O O3 . NAG C 3 . ? 15.763 18.146 19.447 1.00 49.24 ? 2 NAG A O3 1 HETATM 2649 O O4 . NAG C 3 . ? 13.614 18.406 17.481 1.00 50.04 ? 2 NAG A O4 1 HETATM 2650 O O5 . NAG C 3 . ? 13.984 14.840 18.012 1.00 47.45 ? 2 NAG A O5 1 HETATM 2651 O O6 . NAG C 3 . ? 13.902 15.679 15.234 1.00 49.91 ? 2 NAG A O6 1 HETATM 2652 O O7 . NAG C 3 . ? 16.374 14.304 21.898 1.00 48.04 ? 2 NAG A O7 1 HETATM 2653 C C1 . NAG D 3 . ? 12.176 10.071 20.684 1.00 35.26 ? 687 NAG A C1 1 HETATM 2654 C C2 . NAG D 3 . ? 12.471 10.365 19.206 1.00 37.37 ? 687 NAG A C2 1 HETATM 2655 C C3 . NAG D 3 . ? 13.530 11.469 19.074 1.00 39.07 ? 687 NAG A C3 1 HETATM 2656 C C4 . NAG D 3 . ? 13.239 12.685 19.958 1.00 40.16 ? 687 NAG A C4 1 HETATM 2657 C C5 . NAG D 3 . ? 12.822 12.257 21.371 1.00 39.13 ? 687 NAG A C5 1 HETATM 2658 C C6 . NAG D 3 . ? 12.358 13.425 22.246 1.00 39.26 ? 687 NAG A C6 1 HETATM 2659 C C7 . NAG D 3 . ? 12.034 8.398 17.769 1.00 36.38 ? 687 NAG A C7 1 HETATM 2660 C C8 . NAG D 3 . ? 12.677 7.453 16.802 1.00 35.16 ? 687 NAG A C8 1 HETATM 2661 N N2 . NAG D 3 . ? 12.873 9.152 18.500 1.00 36.10 ? 687 NAG A N2 1 HETATM 2662 O O3 . NAG D 3 . ? 13.627 11.909 17.735 1.00 39.41 ? 687 NAG A O3 1 HETATM 2663 O O4 . NAG D 3 . ? 14.386 13.521 19.993 1.00 43.23 ? 687 NAG A O4 1 HETATM 2664 O O5 . NAG D 3 . ? 11.788 11.288 21.295 1.00 37.60 ? 687 NAG A O5 1 HETATM 2665 O O6 . NAG D 3 . ? 11.316 14.154 21.629 1.00 39.70 ? 687 NAG A O6 1 HETATM 2666 O O7 . NAG D 3 . ? 10.795 8.434 17.851 1.00 35.24 ? 687 NAG A O7 1 HETATM 2667 C C1 . NAG E 3 . ? -34.358 6.538 20.840 1.00 40.03 ? 3 NAG A C1 1 HETATM 2668 C C2 . NAG E 3 . ? -33.411 7.391 19.985 1.00 42.44 ? 3 NAG A C2 1 HETATM 2669 C C3 . NAG E 3 . ? -33.003 8.692 20.689 1.00 43.55 ? 3 NAG A C3 1 HETATM 2670 C C4 . NAG E 3 . ? -34.182 9.399 21.371 1.00 45.02 ? 3 NAG A C4 1 HETATM 2671 C C5 . NAG E 3 . ? -35.014 8.388 22.173 1.00 43.89 ? 3 NAG A C5 1 HETATM 2672 C C6 . NAG E 3 . ? -36.242 9.006 22.850 1.00 44.56 ? 3 NAG A C6 1 HETATM 2673 C C7 . NAG E 3 . ? -31.845 6.454 18.344 1.00 42.74 ? 3 NAG A C7 1 HETATM 2674 C C8 . NAG E 3 . ? -30.628 5.598 18.125 1.00 42.52 ? 3 NAG A C8 1 HETATM 2675 N N2 . NAG E 3 . ? -32.228 6.628 19.611 1.00 42.17 ? 3 NAG A N2 1 HETATM 2676 O O3 . NAG E 3 . ? -32.412 9.571 19.754 1.00 43.10 ? 3 NAG A O3 1 HETATM 2677 O O4 . NAG E 3 . ? -33.688 10.423 22.217 1.00 48.28 ? 3 NAG A O4 1 HETATM 2678 O O5 . NAG E 3 . ? -35.425 7.336 21.319 1.00 41.93 ? 3 NAG A O5 1 HETATM 2679 O O6 . NAG E 3 . ? -37.148 9.514 21.893 1.00 44.38 ? 3 NAG A O6 1 HETATM 2680 O O7 . NAG E 3 . ? -32.428 6.954 17.378 1.00 43.39 ? 3 NAG A O7 1 HETATM 2681 C C1 . NAG F 3 . ? -34.105 11.735 21.787 1.00 51.11 ? 4 NAG A C1 1 HETATM 2682 C C2 . NAG F 3 . ? -34.147 12.661 23.001 1.00 52.67 ? 4 NAG A C2 1 HETATM 2683 C C3 . NAG F 3 . ? -34.544 14.082 22.599 1.00 53.84 ? 4 NAG A C3 1 HETATM 2684 C C4 . NAG F 3 . ? -33.805 14.597 21.357 1.00 54.62 ? 4 NAG A C4 1 HETATM 2685 C C5 . NAG F 3 . ? -33.759 13.516 20.263 1.00 53.58 ? 4 NAG A C5 1 HETATM 2686 C C6 . NAG F 3 . ? -32.918 13.914 19.049 1.00 53.82 ? 4 NAG A C6 1 HETATM 2687 C C7 . NAG F 3 . ? -34.749 11.779 25.221 1.00 52.86 ? 4 NAG A C7 1 HETATM 2688 C C8 . NAG F 3 . ? -35.885 11.547 26.171 1.00 52.68 ? 4 NAG A C8 1 HETATM 2689 N N2 . NAG F 3 . ? -35.088 12.150 23.984 1.00 52.76 ? 4 NAG A N2 1 HETATM 2690 O O3 . NAG F 3 . ? -34.319 14.951 23.689 1.00 54.96 ? 4 NAG A O3 1 HETATM 2691 O O4 . NAG F 3 . ? -34.496 15.748 20.900 1.00 56.67 ? 4 NAG A O4 1 HETATM 2692 O O5 . NAG F 3 . ? -33.269 12.293 20.789 1.00 52.35 ? 4 NAG A O5 1 HETATM 2693 O O6 . NAG F 3 . ? -31.544 13.695 19.292 1.00 53.65 ? 4 NAG A O6 1 HETATM 2694 O O7 . NAG F 3 . ? -33.590 11.623 25.608 1.00 52.70 ? 4 NAG A O7 1 HETATM 2695 C C1 . MAN G 4 . ? -33.660 16.927 20.821 1.00 58.77 ? 5 MAN A C1 1 HETATM 2696 C C2 . MAN G 4 . ? -33.685 17.711 22.139 1.00 59.40 ? 5 MAN A C2 1 HETATM 2697 C C3 . MAN G 4 . ? -33.698 19.227 21.932 1.00 59.96 ? 5 MAN A C3 1 HETATM 2698 C C4 . MAN G 4 . ? -32.867 19.649 20.725 1.00 60.08 ? 5 MAN A C4 1 HETATM 2699 C C5 . MAN G 4 . ? -33.262 18.893 19.453 1.00 60.10 ? 5 MAN A C5 1 HETATM 2700 C C6 . MAN G 4 . ? -32.031 18.530 18.624 1.00 60.33 ? 5 MAN A C6 1 HETATM 2701 O O2 . MAN G 4 . ? -32.565 17.338 22.911 1.00 59.76 ? 5 MAN A O2 1 HETATM 2702 O O3 . MAN G 4 . ? -33.198 19.879 23.079 1.00 60.39 ? 5 MAN A O3 1 HETATM 2703 O O4 . MAN G 4 . ? -33.050 21.028 20.499 1.00 60.50 ? 5 MAN A O4 1 HETATM 2704 O O5 . MAN G 4 . ? -34.050 17.741 19.725 1.00 59.66 ? 5 MAN A O5 1 HETATM 2705 O O6 . MAN G 4 . ? -31.443 19.717 18.140 1.00 60.56 ? 5 MAN A O6 1 HETATM 2706 C C1 . NAG H 3 . ? -17.728 4.162 1.143 1.00 25.80 ? 8 NAG A C1 1 HETATM 2707 C C2 . NAG H 3 . ? -17.664 5.608 0.634 1.00 28.76 ? 8 NAG A C2 1 HETATM 2708 C C3 . NAG H 3 . ? -16.723 5.739 -0.573 1.00 30.70 ? 8 NAG A C3 1 HETATM 2709 C C4 . NAG H 3 . ? -15.360 5.066 -0.341 1.00 30.87 ? 8 NAG A C4 1 HETATM 2710 C C5 . NAG H 3 . ? -15.524 3.688 0.323 1.00 29.26 ? 8 NAG A C5 1 HETATM 2711 C C6 . NAG H 3 . ? -14.196 3.159 0.848 1.00 28.06 ? 8 NAG A C6 1 HETATM 2712 C C7 . NAG H 3 . ? -19.576 7.151 0.867 1.00 30.10 ? 8 NAG A C7 1 HETATM 2713 C C8 . NAG H 3 . ? -20.941 7.508 0.354 1.00 31.25 ? 8 NAG A C8 1 HETATM 2714 N N2 . NAG H 3 . ? -18.998 6.086 0.309 1.00 30.05 ? 8 NAG A N2 1 HETATM 2715 O O3 . NAG H 3 . ? -16.530 7.110 -0.851 1.00 31.79 ? 8 NAG A O3 1 HETATM 2716 O O4 . NAG H 3 . ? -14.660 4.927 -1.566 1.00 34.76 ? 8 NAG A O4 1 HETATM 2717 O O5 . NAG H 3 . ? -16.410 3.741 1.428 1.00 26.02 ? 8 NAG A O5 1 HETATM 2718 O O6 . NAG H 3 . ? -13.722 4.050 1.831 1.00 28.29 ? 8 NAG A O6 1 HETATM 2719 O O7 . NAG H 3 . ? -19.062 7.833 1.748 1.00 30.85 ? 8 NAG A O7 1 HETATM 2720 C C1 . NAG I 3 . ? -13.368 5.585 -1.576 1.00 38.15 ? 9 NAG A C1 1 HETATM 2721 C C2 . NAG I 3 . ? -12.484 4.875 -2.614 1.00 39.82 ? 9 NAG A C2 1 HETATM 2722 C C3 . NAG I 3 . ? -11.230 5.660 -3.015 1.00 41.55 ? 9 NAG A C3 1 HETATM 2723 C C4 . NAG I 3 . ? -11.570 7.135 -3.284 1.00 42.88 ? 9 NAG A C4 1 HETATM 2724 C C5 . NAG I 3 . ? -12.278 7.706 -2.049 1.00 41.72 ? 9 NAG A C5 1 HETATM 2725 C C6 . NAG I 3 . ? -12.585 9.189 -2.246 1.00 41.95 ? 9 NAG A C6 1 HETATM 2726 C C7 . NAG I 3 . ? -12.389 2.412 -2.724 1.00 40.05 ? 9 NAG A C7 1 HETATM 2727 C C8 . NAG I 3 . ? -11.500 1.244 -2.416 1.00 40.10 ? 9 NAG A C8 1 HETATM 2728 N N2 . NAG I 3 . ? -12.097 3.566 -2.112 1.00 39.84 ? 9 NAG A N2 1 HETATM 2729 O O3 . NAG I 3 . ? -10.668 5.052 -4.158 1.00 41.67 ? 9 NAG A O3 1 HETATM 2730 O O4 . NAG I 3 . ? -10.501 7.998 -3.701 1.00 45.81 ? 9 NAG A O4 1 HETATM 2731 O O5 . NAG I 3 . ? -13.479 6.985 -1.798 1.00 40.17 ? 9 NAG A O5 1 HETATM 2732 O O6 . NAG I 3 . ? -13.746 9.554 -1.536 1.00 43.45 ? 9 NAG A O6 1 HETATM 2733 O O7 . NAG I 3 . ? -13.328 2.261 -3.501 1.00 40.03 ? 9 NAG A O7 1 HETATM 2734 C C1 . MAN J 4 . ? -9.191 7.378 -3.701 1.00 47.98 ? 10 MAN A C1 1 HETATM 2735 C C2 . MAN J 4 . ? -8.167 8.350 -3.102 1.00 49.29 ? 10 MAN A C2 1 HETATM 2736 C C3 . MAN J 4 . ? -7.585 9.335 -4.123 1.00 50.02 ? 10 MAN A C3 1 HETATM 2737 C C4 . MAN J 4 . ? -7.301 8.716 -5.489 1.00 50.50 ? 10 MAN A C4 1 HETATM 2738 C C5 . MAN J 4 . ? -8.417 7.781 -5.958 1.00 50.68 ? 10 MAN A C5 1 HETATM 2739 C C6 . MAN J 4 . ? -7.985 7.040 -7.224 1.00 51.28 ? 10 MAN A C6 1 HETATM 2740 O O2 . MAN J 4 . ? -7.128 7.606 -2.499 1.00 48.18 ? 10 MAN A O2 1 HETATM 2741 O O3 . MAN J 4 . ? -6.368 9.869 -3.636 1.00 51.48 ? 10 MAN A O3 1 HETATM 2742 O O4 . MAN J 4 . ? -7.111 9.767 -6.413 1.00 50.94 ? 10 MAN A O4 1 HETATM 2743 O O5 . MAN J 4 . ? -8.750 6.843 -4.942 1.00 49.75 ? 10 MAN A O5 1 HETATM 2744 O O6 . MAN J 4 . ? -8.628 5.785 -7.325 1.00 52.37 ? 10 MAN A O6 1 HETATM 2745 S S . SO4 K 5 . ? -32.413 -6.265 -4.756 1.00 38.42 ? 68 SO4 A S 1 HETATM 2746 O O1 . SO4 K 5 . ? -32.433 -5.303 -3.661 1.00 37.44 ? 68 SO4 A O1 1 HETATM 2747 O O2 . SO4 K 5 . ? -33.700 -6.231 -5.450 1.00 39.14 ? 68 SO4 A O2 1 HETATM 2748 O O3 . SO4 K 5 . ? -31.338 -5.925 -5.679 1.00 38.44 ? 68 SO4 A O3 1 HETATM 2749 O O4 . SO4 K 5 . ? -32.204 -7.616 -4.242 1.00 38.01 ? 68 SO4 A O4 1 HETATM 2750 ZN ZN . ZN L 6 . ? -16.157 23.156 24.119 1.00 18.73 ? 81 ZN A ZN 1 HETATM 2751 ZN ZN . ZN M 6 . ? -27.848 10.720 7.434 1.00 24.61 ? 82 ZN A ZN 1 HETATM 2752 FE FE . FE N 7 . ? -16.625 2.474 15.001 1.00 13.71 ? 84 FE A FE 1 HETATM 2753 C C . CO3 O 8 . ? -18.060 0.395 15.238 1.00 13.98 ? 85 CO3 A C 1 HETATM 2754 O O1 . CO3 O 8 . ? -16.791 0.362 15.550 1.00 14.15 ? 85 CO3 A O1 1 HETATM 2755 O O2 . CO3 O 8 . ? -18.584 1.522 14.838 1.00 14.74 ? 85 CO3 A O2 1 HETATM 2756 O O3 . CO3 O 8 . ? -18.794 -0.672 15.316 1.00 12.94 ? 85 CO3 A O3 1 HETATM 2757 O O . HOH P 9 . ? -19.702 -10.434 14.268 1.00 12.85 ? 806 HOH A O 1 HETATM 2758 O O . HOH P 9 . ? -29.869 7.236 5.138 1.00 19.38 ? 807 HOH A O 1 HETATM 2759 O O . HOH P 9 . ? -27.926 -11.782 3.897 1.00 16.05 ? 808 HOH A O 1 HETATM 2760 O O . HOH P 9 . ? -9.860 0.169 7.458 1.00 18.75 ? 809 HOH A O 1 HETATM 2761 O O . HOH P 9 . ? -31.440 4.771 6.011 1.00 22.28 ? 810 HOH A O 1 HETATM 2762 O O . HOH P 9 . ? -8.787 -4.374 17.684 1.00 13.67 ? 811 HOH A O 1 HETATM 2763 O O . HOH P 9 . ? -3.417 9.182 30.216 1.00 15.14 ? 812 HOH A O 1 HETATM 2764 O O . HOH P 9 . ? -17.196 -4.692 23.546 1.00 21.59 ? 813 HOH A O 1 HETATM 2765 O O . HOH P 9 . ? -5.631 -0.428 21.291 1.00 13.98 ? 814 HOH A O 1 HETATM 2766 O O . HOH P 9 . ? -24.575 0.056 11.604 1.00 19.85 ? 815 HOH A O 1 HETATM 2767 O O . HOH P 9 . ? -8.249 -6.566 19.362 1.00 13.29 ? 816 HOH A O 1 HETATM 2768 O O . HOH P 9 . ? -11.929 0.280 9.424 1.00 17.73 ? 817 HOH A O 1 HETATM 2769 O O . HOH P 9 . ? -11.438 -12.911 10.672 1.00 17.30 ? 818 HOH A O 1 HETATM 2770 O O . HOH P 9 . ? -8.316 0.177 20.716 1.00 12.81 ? 819 HOH A O 1 HETATM 2771 O O . HOH P 9 . ? -17.596 5.919 16.511 1.00 12.28 ? 820 HOH A O 1 HETATM 2772 O O . HOH P 9 . ? -5.160 -8.276 19.311 1.00 15.86 ? 821 HOH A O 1 HETATM 2773 O O . HOH P 9 . ? -30.892 -10.143 19.621 1.00 22.49 ? 822 HOH A O 1 HETATM 2774 O O . HOH P 9 . ? -5.132 1.920 19.897 1.00 11.44 ? 823 HOH A O 1 HETATM 2775 O O . HOH P 9 . ? -3.393 -6.029 31.746 1.00 14.36 ? 824 HOH A O 1 HETATM 2776 O O . HOH P 9 . ? -7.416 -3.686 33.354 1.00 15.38 ? 825 HOH A O 1 HETATM 2777 O O . HOH P 9 . ? -11.815 -4.739 11.886 1.00 12.03 ? 826 HOH A O 1 HETATM 2778 O O . HOH P 9 . ? -9.699 2.313 15.101 1.00 14.90 ? 827 HOH A O 1 HETATM 2779 O O . HOH P 9 . ? -11.847 -0.688 14.194 1.00 15.63 ? 828 HOH A O 1 HETATM 2780 O O . HOH P 9 . ? -7.230 -7.628 30.715 1.00 18.68 ? 829 HOH A O 1 HETATM 2781 O O . HOH P 9 . ? -12.323 0.691 19.281 1.00 17.98 ? 830 HOH A O 1 HETATM 2782 O O . HOH P 9 . ? -35.910 -1.855 -2.051 1.00 29.43 ? 831 HOH A O 1 HETATM 2783 O O . HOH P 9 . ? -31.662 -15.282 -4.307 1.00 23.70 ? 832 HOH A O 1 HETATM 2784 O O . HOH P 9 . ? -18.202 5.501 5.886 1.00 26.38 ? 833 HOH A O 1 HETATM 2785 O O . HOH P 9 . ? -18.023 -12.164 25.389 1.00 25.42 ? 834 HOH A O 1 HETATM 2786 O O . HOH P 9 . ? -10.383 -11.554 13.977 1.00 21.76 ? 835 HOH A O 1 HETATM 2787 O O . HOH P 9 . ? -25.748 -12.255 -2.686 1.00 20.59 ? 836 HOH A O 1 HETATM 2788 O O . HOH P 9 . ? -14.218 13.177 30.128 1.00 19.20 ? 837 HOH A O 1 HETATM 2789 O O . HOH P 9 . ? -34.653 -1.826 4.627 1.00 22.41 ? 838 HOH A O 1 HETATM 2790 O O . HOH P 9 . ? -26.137 -14.127 4.710 1.00 17.92 ? 839 HOH A O 1 HETATM 2791 O O . HOH P 9 . ? -17.584 0.274 26.807 1.00 16.24 ? 840 HOH A O 1 HETATM 2792 O O . HOH P 9 . ? -7.932 -0.650 18.086 1.00 17.86 ? 841 HOH A O 1 HETATM 2793 O O . HOH P 9 . ? -25.255 -11.168 26.852 1.00 24.69 ? 842 HOH A O 1 HETATM 2794 O O . HOH P 9 . ? -12.816 6.168 12.412 1.00 13.91 ? 843 HOH A O 1 HETATM 2795 O O . HOH P 9 . ? -8.284 0.009 15.465 1.00 19.11 ? 844 HOH A O 1 HETATM 2796 O O . HOH P 9 . ? -10.755 -1.101 20.768 1.00 14.80 ? 845 HOH A O 1 HETATM 2797 O O . HOH P 9 . ? -10.344 6.108 9.487 1.00 23.69 ? 846 HOH A O 1 HETATM 2798 O O . HOH P 9 . ? -34.715 -14.178 1.892 1.00 28.66 ? 847 HOH A O 1 HETATM 2799 O O . HOH P 9 . ? -29.667 -16.344 25.380 1.00 27.21 ? 848 HOH A O 1 HETATM 2800 O O . HOH P 9 . ? -2.188 17.522 29.339 1.00 24.14 ? 849 HOH A O 1 HETATM 2801 O O . HOH P 9 . ? 0.760 16.332 28.905 1.00 30.52 ? 850 HOH A O 1 HETATM 2802 O O . HOH P 9 . ? -14.154 3.572 12.155 1.00 12.60 ? 851 HOH A O 1 HETATM 2803 O O . HOH P 9 . ? -16.345 -16.032 2.268 1.00 41.25 ? 852 HOH A O 1 HETATM 2804 O O . HOH P 9 . ? 1.154 3.921 8.373 1.00 20.14 ? 853 HOH A O 1 HETATM 2805 O O . HOH P 9 . ? -0.046 9.809 8.649 1.00 32.26 ? 854 HOH A O 1 HETATM 2806 O O . HOH P 9 . ? -10.811 20.844 26.746 1.00 21.67 ? 855 HOH A O 1 HETATM 2807 O O . HOH P 9 . ? -9.574 -4.395 15.029 1.00 18.50 ? 856 HOH A O 1 HETATM 2808 O O . HOH P 9 . ? -3.696 0.048 11.322 1.00 19.97 ? 857 HOH A O 1 HETATM 2809 O O . HOH P 9 . ? -10.966 -2.772 18.680 1.00 16.34 ? 858 HOH A O 1 HETATM 2810 O O . HOH P 9 . ? -14.367 15.360 28.451 1.00 13.95 ? 859 HOH A O 1 HETATM 2811 O O . HOH P 9 . ? -29.449 -12.684 19.422 1.00 23.67 ? 861 HOH A O 1 HETATM 2812 O O . HOH P 9 . ? -9.314 -19.949 -3.242 1.00 37.51 ? 862 HOH A O 1 HETATM 2813 O O . HOH P 9 . ? -6.261 17.997 19.037 1.00 29.78 ? 864 HOH A O 1 HETATM 2814 O O . HOH P 9 . ? -13.562 -1.514 7.923 1.00 19.30 ? 866 HOH A O 1 HETATM 2815 O O . HOH P 9 . ? -0.451 -2.921 34.714 1.00 21.58 ? 867 HOH A O 1 HETATM 2816 O O . HOH P 9 . ? -10.115 17.249 24.168 1.00 18.87 ? 868 HOH A O 1 HETATM 2817 O O . HOH P 9 . ? -27.702 0.849 5.943 1.00 15.80 ? 869 HOH A O 1 HETATM 2818 O O . HOH P 9 . ? -12.577 11.966 8.160 1.00 37.14 ? 870 HOH A O 1 HETATM 2819 O O . HOH P 9 . ? -11.869 -8.512 -1.853 1.00 31.87 ? 871 HOH A O 1 HETATM 2820 O O . HOH P 9 . ? 0.180 -7.858 14.874 1.00 25.74 ? 872 HOH A O 1 HETATM 2821 O O . HOH P 9 . ? 1.655 14.817 12.413 1.00 25.03 ? 873 HOH A O 1 HETATM 2822 O O . HOH P 9 . ? -2.466 7.708 32.244 1.00 24.70 ? 874 HOH A O 1 HETATM 2823 O O . HOH P 9 . ? -31.984 -16.743 9.477 1.00 35.37 ? 875 HOH A O 1 HETATM 2824 O O . HOH P 9 . ? -37.227 2.476 10.481 1.00 31.70 ? 876 HOH A O 1 HETATM 2825 O O . HOH P 9 . ? 1.567 4.556 32.422 1.00 25.93 ? 877 HOH A O 1 HETATM 2826 O O . HOH P 9 . ? -27.486 4.207 20.787 1.00 27.93 ? 878 HOH A O 1 HETATM 2827 O O . HOH P 9 . ? -13.000 -4.541 23.128 1.00 13.43 ? 879 HOH A O 1 HETATM 2828 O O . HOH P 9 . ? 1.486 3.566 37.146 1.00 28.59 ? 880 HOH A O 1 HETATM 2829 O O . HOH P 9 . ? -17.596 -20.892 7.638 1.00 37.71 ? 881 HOH A O 1 HETATM 2830 O O . HOH P 9 . ? -22.913 -20.519 6.968 1.00 37.38 ? 882 HOH A O 1 HETATM 2831 O O . HOH P 9 . ? -6.441 -10.099 30.719 1.00 20.45 ? 883 HOH A O 1 HETATM 2832 O O . HOH P 9 . ? -27.998 -20.070 24.002 1.00 36.20 ? 884 HOH A O 1 HETATM 2833 O O . HOH P 9 . ? -10.996 -3.752 35.196 1.00 30.72 ? 885 HOH A O 1 HETATM 2834 O O . HOH P 9 . ? -9.663 -0.497 0.028 1.00 40.62 ? 887 HOH A O 1 HETATM 2835 O O . HOH P 9 . ? 7.926 10.810 19.655 1.00 25.51 ? 888 HOH A O 1 HETATM 2836 O O . HOH P 9 . ? -12.922 6.732 9.424 1.00 25.21 ? 889 HOH A O 1 HETATM 2837 O O . HOH P 9 . ? -7.038 -17.357 25.602 1.00 28.84 ? 890 HOH A O 1 HETATM 2838 O O . HOH P 9 . ? 1.066 18.991 20.071 1.00 49.03 ? 891 HOH A O 1 HETATM 2839 O O . HOH P 9 . ? -18.281 -3.160 27.348 1.00 27.49 ? 892 HOH A O 1 HETATM 2840 O O . HOH P 9 . ? -26.536 12.111 7.888 1.00 27.82 ? 893 HOH A O 1 HETATM 2841 O O . HOH P 9 . ? -26.724 10.637 11.946 1.00 23.24 ? 894 HOH A O 1 HETATM 2842 O O . HOH P 9 . ? -15.954 -21.298 12.136 1.00 48.10 ? 895 HOH A O 1 HETATM 2843 O O . HOH P 9 . ? -20.969 2.477 24.355 1.00 19.81 ? 897 HOH A O 1 HETATM 2844 O O . HOH P 9 . ? -24.210 -0.035 24.486 1.00 25.11 ? 898 HOH A O 1 HETATM 2845 O O . HOH P 9 . ? -27.937 5.943 30.531 1.00 46.16 ? 899 HOH A O 1 HETATM 2846 O O . HOH P 9 . ? -38.849 -6.849 12.212 1.00 37.91 ? 900 HOH A O 1 HETATM 2847 O O . HOH P 9 . ? -37.234 -4.690 12.227 1.00 57.50 ? 901 HOH A O 1 HETATM 2848 O O . HOH P 9 . ? -14.195 -14.782 -1.119 1.00 28.43 ? 902 HOH A O 1 HETATM 2849 O O . HOH P 9 . ? -9.477 -10.451 6.998 1.00 34.85 ? 903 HOH A O 1 HETATM 2850 O O . HOH P 9 . ? -12.990 -9.952 -5.592 1.00 39.43 ? 904 HOH A O 1 HETATM 2851 O O . HOH P 9 . ? -12.271 -4.007 6.940 1.00 48.06 ? 905 HOH A O 1 HETATM 2852 O O . HOH P 9 . ? -15.534 -23.716 21.201 1.00 50.04 ? 906 HOH A O 1 HETATM 2853 O O . HOH P 9 . ? -7.955 -12.658 25.770 1.00 32.81 ? 907 HOH A O 1 HETATM 2854 O O . HOH P 9 . ? 14.844 13.284 15.835 1.00 48.84 ? 908 HOH A O 1 HETATM 2855 O O . HOH P 9 . ? -4.978 18.301 28.224 1.00 29.75 ? 909 HOH A O 1 HETATM 2856 O O . HOH P 9 . ? -20.104 -11.040 28.883 1.00 33.86 ? 910 HOH A O 1 HETATM 2857 O O . HOH P 9 . ? -23.772 7.142 -1.749 1.00 28.90 ? 911 HOH A O 1 HETATM 2858 O O . HOH P 9 . ? -14.432 -3.917 25.975 1.00 18.48 ? 912 HOH A O 1 HETATM 2859 O O . HOH P 9 . ? 1.444 -10.759 21.589 1.00 27.92 ? 913 HOH A O 1 HETATM 2860 O O . HOH P 9 . ? -8.314 21.408 20.191 1.00 35.24 ? 914 HOH A O 1 HETATM 2861 O O . HOH P 9 . ? -3.905 -20.351 22.474 1.00 29.40 ? 915 HOH A O 1 HETATM 2862 O O . HOH P 9 . ? -32.588 3.078 22.337 1.00 24.28 ? 917 HOH A O 1 HETATM 2863 O O . HOH P 9 . ? -7.376 -10.136 13.068 1.00 42.67 ? 918 HOH A O 1 HETATM 2864 O O . HOH P 9 . ? -21.037 -13.305 -1.592 1.00 33.42 ? 919 HOH A O 1 HETATM 2865 O O . HOH P 9 . ? 0.622 -4.955 30.175 1.00 25.56 ? 921 HOH A O 1 HETATM 2866 O O . HOH P 9 . ? -25.830 -16.048 0.310 1.00 36.37 ? 922 HOH A O 1 HETATM 2867 O O . HOH P 9 . ? -12.130 -3.470 14.297 1.00 17.57 ? 923 HOH A O 1 HETATM 2868 O O . HOH P 9 . ? -32.698 -17.214 11.995 1.00 36.03 ? 924 HOH A O 1 HETATM 2869 O O . HOH P 9 . ? 9.522 -1.961 26.330 1.00 49.69 ? 925 HOH A O 1 HETATM 2870 O O . HOH P 9 . ? -20.113 12.767 31.887 1.00 28.91 ? 926 HOH A O 1 HETATM 2871 O O . HOH P 9 . ? -26.181 -1.452 25.432 1.00 21.81 ? 927 HOH A O 1 HETATM 2872 O O . HOH P 9 . ? -16.571 20.275 18.411 1.00 50.96 ? 929 HOH A O 1 HETATM 2873 O O . HOH P 9 . ? -33.863 1.617 -3.910 1.00 43.75 ? 930 HOH A O 1 HETATM 2874 O O . HOH P 9 . ? -39.346 1.292 7.346 1.00 47.83 ? 931 HOH A O 1 HETATM 2875 O O . HOH P 9 . ? -36.192 4.780 14.783 1.00 40.77 ? 932 HOH A O 1 HETATM 2876 O O . HOH P 9 . ? -12.618 11.945 5.589 1.00 32.07 ? 933 HOH A O 1 HETATM 2877 O O . HOH P 9 . ? 15.595 7.732 9.241 1.00 54.37 ? 934 HOH A O 1 HETATM 2878 O O . HOH P 9 . ? 10.086 -3.587 15.019 1.00 44.77 ? 935 HOH A O 1 HETATM 2879 O O . HOH P 9 . ? -13.821 4.716 7.892 1.00 18.36 ? 936 HOH A O 1 HETATM 2880 O O . HOH P 9 . ? 6.375 12.707 7.511 1.00 31.44 ? 937 HOH A O 1 HETATM 2881 O O . HOH P 9 . ? -38.071 6.983 20.260 1.00 57.09 ? 939 HOH A O 1 HETATM 2882 O O . HOH P 9 . ? -26.800 1.185 32.267 1.00 66.91 ? 940 HOH A O 1 HETATM 2883 O O . HOH P 9 . ? -37.578 -2.943 0.113 1.00 31.78 ? 941 HOH A O 1 HETATM 2884 O O . HOH P 9 . ? -38.418 -14.461 10.453 1.00 51.71 ? 942 HOH A O 1 HETATM 2885 O O . HOH P 9 . ? -35.106 -4.272 -3.835 1.00 43.83 ? 944 HOH A O 1 HETATM 2886 O O . HOH P 9 . ? -6.993 -13.317 14.859 1.00 35.72 ? 945 HOH A O 1 HETATM 2887 O O . HOH P 9 . ? -2.184 23.014 18.862 1.00 43.05 ? 946 HOH A O 1 HETATM 2888 O O . HOH P 9 . ? -9.005 -10.760 -4.974 1.00 60.74 ? 947 HOH A O 1 HETATM 2889 O O . HOH P 9 . ? -27.534 -18.354 6.750 1.00 50.78 ? 948 HOH A O 1 HETATM 2890 O O . HOH P 9 . ? 13.300 3.842 13.487 1.00 49.08 ? 950 HOH A O 1 HETATM 2891 O O . HOH P 9 . ? -2.586 -9.638 24.932 1.00 45.77 ? 951 HOH A O 1 HETATM 2892 O O . HOH P 9 . ? -39.691 -7.941 1.996 1.00 39.00 ? 952 HOH A O 1 HETATM 2893 O O . HOH P 9 . ? -19.562 -12.202 -3.642 1.00 32.88 ? 953 HOH A O 1 HETATM 2894 O O . HOH P 9 . ? -7.616 13.105 1.353 1.00 48.05 ? 954 HOH A O 1 HETATM 2895 O O . HOH P 9 . ? -7.714 -14.870 6.545 1.00 51.61 ? 955 HOH A O 1 HETATM 2896 O O . HOH P 9 . ? -32.088 -9.637 -6.079 1.00 32.14 ? 957 HOH A O 1 HETATM 2897 O O . HOH P 9 . ? 5.574 16.241 14.142 1.00 52.32 ? 958 HOH A O 1 HETATM 2898 O O . HOH P 9 . ? -42.856 -4.116 19.406 1.00 47.23 ? 960 HOH A O 1 HETATM 2899 O O . HOH P 9 . ? -12.787 17.445 28.185 1.00 18.21 ? 961 HOH A O 1 HETATM 2900 O O . HOH P 9 . ? -16.862 -5.141 26.238 1.00 19.56 ? 963 HOH A O 1 HETATM 2901 O O . HOH P 9 . ? -5.962 -5.789 32.291 1.00 17.70 ? 964 HOH A O 1 HETATM 2902 O O . HOH P 9 . ? -1.025 -4.822 32.503 1.00 18.62 ? 965 HOH A O 1 HETATM 2903 O O . HOH P 9 . ? -38.377 -6.058 -0.357 1.00 45.13 ? 967 HOH A O 1 HETATM 2904 O O . HOH P 9 . ? -8.025 -26.363 20.137 1.00 57.90 ? 968 HOH A O 1 HETATM 2905 O O . HOH P 9 . ? 8.124 15.693 14.777 1.00 36.37 ? 969 HOH A O 1 HETATM 2906 O O . HOH P 9 . ? -29.456 -15.576 -6.090 1.00 43.85 ? 970 HOH A O 1 HETATM 2907 O O . HOH P 9 . ? 6.154 -7.628 17.654 1.00 27.64 ? 971 HOH A O 1 HETATM 2908 O O . HOH P 9 . ? 9.099 11.233 22.124 1.00 31.72 ? 972 HOH A O 1 HETATM 2909 O O . HOH P 9 . ? -22.215 9.074 -2.495 1.00 41.82 ? 973 HOH A O 1 HETATM 2910 O O . HOH P 9 . ? 0.278 -5.907 12.498 1.00 28.37 ? 974 HOH A O 1 HETATM 2911 O O . HOH P 9 . ? 3.937 -1.261 30.511 1.00 54.87 ? 975 HOH A O 1 HETATM 2912 O O . HOH P 9 . ? -26.935 7.759 -2.691 1.00 37.45 ? 977 HOH A O 1 HETATM 2913 O O . HOH P 9 . ? -10.252 -9.142 4.563 1.00 27.55 ? 978 HOH A O 1 HETATM 2914 O O . HOH P 9 . ? -31.039 -18.841 13.835 1.00 28.34 ? 979 HOH A O 1 HETATM 2915 O O . HOH P 9 . ? 2.965 1.834 35.856 1.00 31.57 ? 980 HOH A O 1 HETATM 2916 O O . HOH P 9 . ? 4.913 16.820 17.683 1.00 34.19 ? 981 HOH A O 1 HETATM 2917 O O . HOH P 9 . ? -39.455 -12.122 8.014 1.00 45.63 ? 982 HOH A O 1 HETATM 2918 O O . HOH P 9 . ? -41.814 0.722 14.969 1.00 52.78 ? 984 HOH A O 1 HETATM 2919 O O . HOH P 9 . ? -26.495 -20.881 12.819 1.00 37.01 ? 986 HOH A O 1 HETATM 2920 O O . HOH P 9 . ? -38.696 -3.115 27.887 1.00 34.89 ? 987 HOH A O 1 HETATM 2921 O O . HOH P 9 . ? 2.635 14.235 9.797 1.00 25.50 ? 988 HOH A O 1 HETATM 2922 O O . HOH P 9 . ? -35.987 -5.251 21.480 1.00 37.36 ? 989 HOH A O 1 HETATM 2923 O O . HOH P 9 . ? -36.611 -16.457 10.796 1.00 39.58 ? 990 HOH A O 1 HETATM 2924 O O . HOH P 9 . ? -15.456 11.377 35.368 1.00 52.16 ? 991 HOH A O 1 HETATM 2925 O O . HOH P 9 . ? -10.351 -9.391 12.372 1.00 60.88 ? 992 HOH A O 1 HETATM 2926 O O . HOH P 9 . ? -40.129 -3.022 4.286 1.00 46.18 ? 995 HOH A O 1 HETATM 2927 O O . HOH P 9 . ? -16.919 12.905 33.055 1.00 35.34 ? 998 HOH A O 1 HETATM 2928 O O . HOH P 9 . ? -30.953 -0.330 35.382 1.00 96.78 ? 999 HOH A O 1 HETATM 2929 O O . HOH P 9 . ? -7.235 13.546 35.003 1.00 28.75 ? 1000 HOH A O 1 HETATM 2930 O O . HOH P 9 . ? -24.414 -22.045 17.614 1.00 44.48 ? 1001 HOH A O 1 HETATM 2931 O O . HOH P 9 . ? -8.100 6.943 4.013 1.00 41.53 ? 1002 HOH A O 1 HETATM 2932 O O . HOH P 9 . ? -7.047 19.597 21.057 1.00 29.15 ? 1003 HOH A O 1 HETATM 2933 O O . HOH P 9 . ? -19.129 -21.709 9.752 1.00 50.86 ? 1004 HOH A O 1 HETATM 2934 O O . HOH P 9 . ? 1.054 17.514 31.890 1.00 52.59 ? 1005 HOH A O 1 HETATM 2935 O O . HOH P 9 . ? 2.470 -4.746 12.137 1.00 40.37 ? 1006 HOH A O 1 HETATM 2936 O O . HOH P 9 . ? -39.005 -11.198 10.956 1.00 39.73 ? 1007 HOH A O 1 HETATM 2937 O O . HOH P 9 . ? -12.466 -3.451 32.914 1.00 26.64 ? 1009 HOH A O 1 HETATM 2938 O O . HOH P 9 . ? -19.848 5.232 -2.565 1.00 41.62 ? 1010 HOH A O 1 HETATM 2939 O O . HOH P 9 . ? 14.753 -2.200 24.035 1.00 55.57 ? 1011 HOH A O 1 HETATM 2940 O O . HOH P 9 . ? -10.879 10.555 -4.798 1.00 43.14 ? 1014 HOH A O 1 HETATM 2941 O O . HOH P 9 . ? -23.833 -14.305 -1.883 1.00 67.55 ? 1015 HOH A O 1 HETATM 2942 O O . HOH P 9 . ? -10.985 -18.442 14.126 1.00 42.43 ? 1016 HOH A O 1 HETATM 2943 O O . HOH P 9 . ? -16.110 -4.644 30.638 1.00 26.41 ? 1017 HOH A O 1 HETATM 2944 O O . HOH P 9 . ? -24.792 21.158 23.409 1.00 60.53 ? 1018 HOH A O 1 HETATM 2945 O O . HOH P 9 . ? -13.727 13.460 14.556 1.00 36.08 ? 1019 HOH A O 1 HETATM 2946 O O . HOH P 9 . ? -2.996 -9.707 30.253 1.00 45.62 ? 1020 HOH A O 1 HETATM 2947 O O . HOH P 9 . ? -13.350 10.283 26.076 1.00 43.08 ? 1021 HOH A O 1 HETATM 2948 O O . HOH P 9 . ? -41.855 -3.793 25.501 1.00 52.89 ? 1022 HOH A O 1 HETATM 2949 O O . HOH P 9 . ? 6.716 -2.340 25.460 1.00 31.67 ? 1023 HOH A O 1 HETATM 2950 O O . HOH P 9 . ? -5.061 -17.921 5.601 1.00 42.05 ? 1024 HOH A O 1 HETATM 2951 O O . HOH P 9 . ? -2.972 21.233 20.954 1.00 61.40 ? 1025 HOH A O 1 HETATM 2952 O O . HOH P 9 . ? -18.190 4.433 32.161 1.00 29.18 ? 1026 HOH A O 1 HETATM 2953 O O . HOH P 9 . ? -28.707 9.989 13.392 1.00 42.59 ? 1027 HOH A O 1 HETATM 2954 O O . HOH P 9 . ? -28.443 -1.310 26.905 1.00 25.24 ? 1029 HOH A O 1 HETATM 2955 O O . HOH P 9 . ? -8.516 -15.497 8.936 1.00 45.25 ? 1030 HOH A O 1 HETATM 2956 O O . HOH P 9 . ? -28.265 -3.136 -8.179 1.00 78.16 ? 1031 HOH A O 1 HETATM 2957 O O . HOH P 9 . ? 0.203 4.176 5.813 1.00 36.09 ? 1032 HOH A O 1 HETATM 2958 O O . HOH P 9 . ? -36.850 -8.552 21.253 1.00 39.14 ? 1034 HOH A O 1 HETATM 2959 O O . HOH P 9 . ? -26.059 -12.032 -5.305 1.00 37.63 ? 1035 HOH A O 1 HETATM 2960 O O . HOH P 9 . ? -18.369 -0.837 30.480 1.00 32.76 ? 1036 HOH A O 1 HETATM 2961 O O . HOH P 9 . ? -18.228 -12.873 -6.429 1.00 69.63 ? 1037 HOH A O 1 HETATM 2962 O O . HOH P 9 . ? -11.696 -18.608 4.079 1.00 56.23 ? 1038 HOH A O 1 HETATM 2963 O O . HOH P 9 . ? 15.811 9.749 17.325 1.00 54.05 ? 1039 HOH A O 1 HETATM 2964 O O . HOH P 9 . ? -25.505 -8.906 -8.636 1.00 54.94 ? 1040 HOH A O 1 HETATM 2965 O O . HOH P 9 . ? 3.149 2.327 32.907 1.00 22.21 ? 1041 HOH A O 1 HETATM 2966 O O . HOH P 9 . ? -6.465 -14.611 24.776 1.00 44.53 ? 1042 HOH A O 1 HETATM 2967 O O . HOH P 9 . ? -8.798 12.756 32.794 1.00 34.61 ? 1043 HOH A O 1 HETATM 2968 O O . HOH P 9 . ? -19.445 19.630 26.661 1.00 19.57 ? 1044 HOH A O 1 HETATM 2969 O O . HOH P 9 . ? -22.734 -2.602 -6.397 1.00 40.36 ? 1045 HOH A O 1 HETATM 2970 O O . HOH P 9 . ? -8.290 18.985 23.577 1.00 32.74 ? 1046 HOH A O 1 HETATM 2971 O O . HOH P 9 . ? -23.599 -18.986 22.671 1.00 16.24 ? 1047 HOH A O 1 HETATM 2972 O O . HOH P 9 . ? -20.422 -19.490 13.691 1.00 24.46 ? 1048 HOH A O 1 HETATM 2973 O O . HOH P 9 . ? 11.180 11.739 30.304 1.00 34.64 ? 1049 HOH A O 1 HETATM 2974 O O . HOH P 9 . ? -14.151 -22.378 16.619 1.00 54.16 ? 1051 HOH A O 1 HETATM 2975 O O . HOH P 9 . ? -35.660 5.028 -0.535 1.00 75.59 ? 1052 HOH A O 1 HETATM 2976 O O . HOH P 9 . ? 1.948 -10.809 12.000 1.00 43.48 ? 1053 HOH A O 1 HETATM 2977 O O . HOH P 9 . ? 11.761 16.589 8.813 1.00 49.53 ? 1054 HOH A O 1 HETATM 2978 O O . HOH P 9 . ? -34.574 5.535 4.769 1.00 34.68 ? 1055 HOH A O 1 HETATM 2979 O O . HOH P 9 . ? -2.644 -8.639 32.626 1.00 23.93 ? 1056 HOH A O 1 HETATM 2980 O O . HOH P 9 . ? -22.189 -11.099 30.271 1.00 33.97 ? 1057 HOH A O 1 HETATM 2981 O O . HOH P 9 . ? -3.874 -1.638 40.519 1.00 16.74 ? 1058 HOH A O 1 HETATM 2982 O O . HOH P 9 . ? 2.756 13.834 3.982 1.00 58.49 ? 1059 HOH A O 1 HETATM 2983 O O . HOH P 9 . ? 8.557 -3.826 11.924 1.00 45.47 ? 1060 HOH A O 1 HETATM 2984 O O . HOH P 9 . ? 13.307 12.456 13.233 1.00 66.01 ? 1061 HOH A O 1 HETATM 2985 O O . HOH P 9 . ? -18.652 -20.658 24.206 1.00 31.06 ? 1062 HOH A O 1 HETATM 2986 O O . HOH P 9 . ? 0.754 19.087 22.709 1.00 39.08 ? 1063 HOH A O 1 HETATM 2987 O O . HOH P 9 . ? -0.646 -7.928 10.267 1.00 49.98 ? 1064 HOH A O 1 HETATM 2988 O O . HOH P 9 . ? -30.383 21.969 17.164 1.00 63.79 ? 1065 HOH A O 1 HETATM 2989 O O . HOH P 9 . ? -30.779 8.257 -3.459 1.00 46.12 ? 1066 HOH A O 1 HETATM 2990 O O . HOH P 9 . ? -40.001 0.127 12.903 1.00 67.50 ? 1067 HOH A O 1 HETATM 2991 O O . HOH P 9 . ? -33.052 -14.116 6.229 1.00 47.93 ? 1068 HOH A O 1 HETATM 2992 O O . HOH P 9 . ? -30.526 -5.335 -8.199 1.00 42.64 ? 1070 HOH A O 1 HETATM 2993 O O . HOH P 9 . ? -21.781 19.488 25.316 1.00 26.89 ? 1071 HOH A O 1 HETATM 2994 O O . HOH P 9 . ? -30.882 9.927 17.092 1.00 43.90 ? 1072 HOH A O 1 HETATM 2995 O O . HOH P 9 . ? -12.768 0.599 -5.505 1.00 36.45 ? 1073 HOH A O 1 HETATM 2996 O O . HOH P 9 . ? 9.813 13.118 19.690 1.00 77.89 ? 1074 HOH A O 1 HETATM 2997 O O . HOH P 9 . ? -10.868 -10.312 10.004 1.00 54.33 ? 1078 HOH A O 1 HETATM 2998 O O . HOH P 9 . ? 13.344 9.185 9.326 1.00 51.20 ? 1079 HOH A O 1 HETATM 2999 O O . HOH P 9 . ? -6.590 -13.436 11.373 1.00 71.52 ? 1080 HOH A O 1 HETATM 3000 O O . HOH P 9 . ? -39.484 1.258 10.555 1.00 55.43 ? 1081 HOH A O 1 HETATM 3001 O O . HOH P 9 . ? 13.379 -2.197 21.662 1.00 61.47 ? 1083 HOH A O 1 HETATM 3002 O O . HOH P 9 . ? 6.607 -10.868 21.507 1.00 68.35 ? 1084 HOH A O 1 HETATM 3003 O O . HOH P 9 . ? 8.300 -0.280 29.410 1.00 60.18 ? 1085 HOH A O 1 HETATM 3004 O O . HOH P 9 . ? -3.194 8.581 -1.479 1.00 66.73 ? 1086 HOH A O 1 HETATM 3005 O O . HOH P 9 . ? -31.959 -20.291 16.326 1.00 61.80 ? 1087 HOH A O 1 HETATM 3006 O O . HOH P 9 . ? 4.378 18.310 15.442 1.00 56.38 ? 1088 HOH A O 1 HETATM 3007 O O . HOH P 9 . ? -17.794 -0.642 -7.423 1.00 31.17 ? 1089 HOH A O 1 HETATM 3008 O O . HOH P 9 . ? -4.690 17.265 23.409 1.00 41.69 ? 1090 HOH A O 1 HETATM 3009 O O . HOH P 9 . ? -1.667 19.843 23.128 1.00 48.09 ? 1091 HOH A O 1 HETATM 3010 O O . HOH P 9 . ? -9.432 -20.438 12.594 1.00 44.49 ? 1092 HOH A O 1 HETATM 3011 O O . HOH P 9 . ? -5.588 -20.678 20.494 1.00 41.01 ? 1093 HOH A O 1 HETATM 3012 O O . HOH P 9 . ? -3.336 -18.381 15.728 1.00 61.53 ? 1094 HOH A O 1 HETATM 3013 O O . HOH P 9 . ? -25.737 -16.455 -2.309 1.00 55.05 ? 1095 HOH A O 1 HETATM 3014 O O . HOH P 9 . ? -1.078 18.833 32.669 1.00 45.88 ? 1097 HOH A O 1 HETATM 3015 O O . HOH P 9 . ? -12.265 -1.730 -6.285 1.00 42.95 ? 1098 HOH A O 1 HETATM 3016 O O . HOH P 9 . ? -39.125 6.968 2.395 1.00 43.93 ? 1099 HOH A O 1 HETATM 3017 O O . HOH P 9 . ? -6.539 -8.226 -5.435 1.00 44.88 ? 1100 HOH A O 1 HETATM 3018 O O . HOH P 9 . ? -38.346 -10.231 27.042 1.00 69.00 ? 1101 HOH A O 1 HETATM 3019 O O . HOH P 9 . ? -40.923 3.075 5.603 1.00 48.26 ? 1102 HOH A O 1 HETATM 3020 O O . HOH P 9 . ? -21.718 -17.263 0.582 1.00 56.51 ? 1104 HOH A O 1 HETATM 3021 O O . HOH P 9 . ? 8.803 -4.322 22.026 1.00 52.56 ? 1105 HOH A O 1 HETATM 3022 O O . HOH P 9 . ? -14.525 -19.714 7.891 1.00 43.43 ? 1106 HOH A O 1 HETATM 3023 O O . HOH P 9 . ? -38.554 11.768 22.555 1.00 70.10 ? 1107 HOH A O 1 HETATM 3024 O O . HOH P 9 . ? -9.985 6.190 -0.033 1.00 65.09 ? 1108 HOH A O 1 HETATM 3025 O O . HOH P 9 . ? -20.433 2.793 28.432 1.00 37.26 ? 1109 HOH A O 1 HETATM 3026 O O . HOH P 9 . ? -24.353 -3.256 -4.354 1.00 30.33 ? 1110 HOH A O 1 HETATM 3027 O O . HOH P 9 . ? -11.153 -0.705 16.935 1.00 20.46 ? 1112 HOH A O 1 HETATM 3028 O O . HOH P 9 . ? 12.910 10.934 15.454 1.00 35.64 ? 1113 HOH A O 1 HETATM 3029 O O . HOH P 9 . ? -31.071 5.104 21.676 1.00 27.54 ? 1114 HOH A O 1 HETATM 3030 O O . HOH P 9 . ? -23.924 13.342 17.333 1.00 29.70 ? 1115 HOH A O 1 HETATM 3031 O O . HOH P 9 . ? -21.396 4.114 -0.837 1.00 34.68 ? 1116 HOH A O 1 HETATM 3032 O O . HOH P 9 . ? -14.232 -6.138 29.594 1.00 23.18 ? 1117 HOH A O 1 HETATM 3033 O O . HOH P 9 . ? -20.037 11.489 -0.353 1.00 50.87 ? 1118 HOH A O 1 HETATM 3034 O O . HOH P 9 . ? -27.185 -16.217 29.241 1.00 29.92 ? 1120 HOH A O 1 HETATM 3035 O O . HOH P 9 . ? -41.569 -10.499 7.849 1.00 41.89 ? 1121 HOH A O 1 HETATM 3036 O O . HOH P 9 . ? -31.199 -5.076 28.472 1.00 44.12 ? 1122 HOH A O 1 HETATM 3037 O O . HOH P 9 . ? -29.465 6.914 14.390 1.00 49.03 ? 1123 HOH A O 1 HETATM 3038 O O . HOH P 9 . ? -23.836 -0.369 -7.799 1.00 40.68 ? 1124 HOH A O 1 HETATM 3039 O O . HOH P 9 . ? -28.239 -15.877 5.181 1.00 40.77 ? 1125 HOH A O 1 HETATM 3040 O O . HOH P 9 . ? -37.179 -14.626 20.769 1.00 59.51 ? 1126 HOH A O 1 HETATM 3041 O O . HOH P 9 . ? -34.281 -1.679 32.340 1.00 65.28 ? 1127 HOH A O 1 HETATM 3042 O O . HOH P 9 . ? -17.179 -16.030 -2.334 1.00 42.43 ? 1128 HOH A O 1 HETATM 3043 O O . HOH P 9 . ? 1.908 -1.583 35.178 1.00 38.49 ? 1129 HOH A O 1 HETATM 3044 O O . HOH P 9 . ? -11.419 17.397 13.953 1.00 45.05 ? 1131 HOH A O 1 HETATM 3045 O O . HOH P 9 . ? -35.507 -12.800 4.623 1.00 47.51 ? 1133 HOH A O 1 HETATM 3046 O O . HOH P 9 . ? -25.919 15.772 34.446 1.00 51.46 ? 1134 HOH A O 1 HETATM 3047 O O . HOH P 9 . ? 2.432 -11.413 7.360 1.00 54.92 ? 1136 HOH A O 1 HETATM 3048 O O . HOH P 9 . ? -28.547 -13.098 -6.387 1.00 31.39 ? 1137 HOH A O 1 HETATM 3049 O O . HOH P 9 . ? -10.574 1.538 -6.174 1.00 43.42 ? 1138 HOH A O 1 HETATM 3050 O O . HOH P 9 . ? -3.721 19.398 25.582 1.00 58.49 ? 1139 HOH A O 1 HETATM 3051 O O . HOH P 9 . ? -33.767 6.144 0.764 1.00 47.01 ? 1140 HOH A O 1 HETATM 3052 O O . HOH P 9 . ? -9.027 -4.150 -6.578 1.00 47.90 ? 1142 HOH A O 1 HETATM 3053 O O . HOH P 9 . ? -26.066 4.757 34.077 1.00 60.46 ? 1143 HOH A O 1 HETATM 3054 O O . HOH P 9 . ? 1.979 -0.880 32.227 1.00 35.85 ? 1144 HOH A O 1 HETATM 3055 O O . HOH P 9 . ? -22.660 4.752 31.769 1.00 41.32 ? 1145 HOH A O 1 HETATM 3056 O O . HOH P 9 . ? 14.401 4.656 15.970 1.00 45.65 ? 1146 HOH A O 1 HETATM 3057 O O . HOH P 9 . ? -25.023 -15.757 -4.777 1.00 49.55 ? 1147 HOH A O 1 HETATM 3058 O O . HOH P 9 . ? -13.049 -21.726 6.736 1.00 54.27 ? 1148 HOH A O 1 HETATM 3059 O O . HOH P 9 . ? -41.454 -12.927 19.255 1.00 61.57 ? 1149 HOH A O 1 HETATM 3060 O O . HOH P 9 . ? -30.234 15.677 21.938 1.00 45.24 ? 1150 HOH A O 1 HETATM 3061 O O . HOH P 9 . ? -22.869 18.515 29.716 1.00 44.54 ? 1152 HOH A O 1 HETATM 3062 O O . HOH P 9 . ? 1.540 16.557 8.295 1.00 42.33 ? 1153 HOH A O 1 HETATM 3063 O O . HOH P 9 . ? -30.811 -11.928 -5.717 1.00 48.09 ? 1154 HOH A O 1 HETATM 3064 O O . HOH P 9 . ? 12.866 9.538 28.826 1.00 52.93 ? 1155 HOH A O 1 HETATM 3065 O O . HOH P 9 . ? -25.482 -19.422 10.874 1.00 25.14 ? 1156 HOH A O 1 HETATM 3066 O O . HOH P 9 . ? -17.412 -23.061 22.896 1.00 30.74 ? 1157 HOH A O 1 HETATM 3067 O O . HOH P 9 . ? -11.261 -16.413 27.074 1.00 29.51 ? 1158 HOH A O 1 HETATM 3068 O O . HOH P 9 . ? -10.280 18.070 26.964 1.00 17.89 ? 1161 HOH A O 1 HETATM 3069 O O . HOH P 9 . ? -9.350 -13.873 12.026 1.00 39.33 ? 1162 HOH A O 1 HETATM 3070 O O . HOH P 9 . ? -3.307 -11.948 1.390 1.00 46.82 ? 1164 HOH A O 1 HETATM 3071 O O . HOH P 9 . ? -29.113 -13.046 24.684 1.00 24.25 ? 1165 HOH A O 1 HETATM 3072 O O . HOH P 9 . ? 5.581 0.108 29.110 1.00 35.84 ? 1166 HOH A O 1 HETATM 3073 O O . HOH P 9 . ? -24.994 6.115 30.352 1.00 43.09 ? 1167 HOH A O 1 HETATM 3074 O O . HOH P 9 . ? 14.319 0.584 20.224 1.00 50.96 ? 1168 HOH A O 1 HETATM 3075 O O . HOH P 9 . ? -32.823 -11.146 28.933 1.00 47.23 ? 1170 HOH A O 1 HETATM 3076 O O . HOH P 9 . ? -27.842 -11.802 26.822 1.00 40.80 ? 1172 HOH A O 1 HETATM 3077 O O . HOH P 9 . ? -8.401 -15.402 15.390 1.00 33.67 ? 1173 HOH A O 1 HETATM 3078 O O . HOH P 9 . ? -3.283 -3.242 6.514 1.00 44.68 ? 1175 HOH A O 1 HETATM 3079 O O . HOH P 9 . ? 2.666 -7.778 13.753 1.00 51.51 ? 1176 HOH A O 1 HETATM 3080 O O . HOH P 9 . ? -19.600 -20.276 4.001 1.00 36.22 ? 1177 HOH A O 1 HETATM 3081 O O . HOH P 9 . ? -22.760 -21.551 15.560 1.00 44.16 ? 1179 HOH A O 1 HETATM 3082 O O . HOH P 9 . ? -35.344 6.023 16.971 1.00 56.85 ? 1181 HOH A O 1 HETATM 3083 O O . HOH P 9 . ? -10.115 10.236 34.621 1.00 35.65 ? 1183 HOH A O 1 HETATM 3084 O O . HOH P 9 . ? -9.286 -16.474 12.501 1.00 44.97 ? 1184 HOH A O 1 HETATM 3085 O O . HOH P 9 . ? -8.627 -3.142 1.947 1.00 37.83 ? 1186 HOH A O 1 HETATM 3086 O O . HOH P 9 . ? -20.535 -20.541 16.378 1.00 42.62 ? 1188 HOH A O 1 HETATM 3087 O O . HOH P 9 . ? -7.449 -26.310 15.231 1.00 56.52 ? 1189 HOH A O 1 HETATM 3088 O O . HOH P 9 . ? -15.180 12.602 0.931 1.00 46.39 ? 1190 HOH A O 1 HETATM 3089 O O . HOH P 9 . ? -37.380 5.562 10.700 1.00 59.04 ? 1194 HOH A O 1 HETATM 3090 O O . HOH P 9 . ? -21.783 0.457 1.554 1.00 32.94 ? 1195 HOH A O 1 HETATM 3091 O O . HOH P 9 . ? -23.552 -2.413 27.062 1.00 40.89 ? 1196 HOH A O 1 HETATM 3092 O O . HOH P 9 . ? -40.348 -7.798 26.256 1.00 61.80 ? 1197 HOH A O 1 HETATM 3093 O O . HOH P 9 . ? -24.274 18.373 27.138 1.00 56.90 ? 1198 HOH A O 1 HETATM 3094 O O . HOH P 9 . ? -20.438 4.167 30.684 1.00 43.20 ? 1199 HOH A O 1 HETATM 3095 O O . HOH P 9 . ? -0.416 -11.022 25.020 1.00 44.50 ? 1202 HOH A O 1 HETATM 3096 O O . HOH P 9 . ? -6.396 12.896 -7.620 1.00 51.13 ? 1203 HOH A O 1 HETATM 3097 O O . HOH P 9 . ? -5.426 -5.368 -2.995 1.00 55.21 ? 1204 HOH A O 1 HETATM 3098 O O . HOH P 9 . ? -40.216 -10.369 4.947 1.00 67.42 ? 1206 HOH A O 1 HETATM 3099 O O . HOH P 9 . ? 4.822 -2.037 9.232 1.00 35.31 ? 1207 HOH A O 1 HETATM 3100 O O . HOH P 9 . ? -34.167 4.237 24.236 1.00 53.63 ? 1208 HOH A O 1 HETATM 3101 O O . HOH P 9 . ? -16.068 12.726 13.374 1.00 38.86 ? 1209 HOH A O 1 HETATM 3102 O O . HOH P 9 . ? -17.731 6.707 3.763 1.00 67.73 ? 1210 HOH A O 1 HETATM 3103 O O . HOH P 9 . ? -29.095 -14.308 28.043 1.00 34.21 ? 1212 HOH A O 1 HETATM 3104 O O . HOH P 9 . ? -8.937 -2.565 6.944 1.00 29.11 ? 1213 HOH A O 1 HETATM 3105 O O . HOH P 9 . ? -15.001 -24.454 18.767 1.00 37.80 ? 1214 HOH A O 1 HETATM 3106 O O . HOH P 9 . ? -11.213 3.523 2.580 1.00 43.09 ? 1215 HOH A O 1 HETATM 3107 O O . HOH P 9 . ? -18.190 -19.854 11.724 1.00 27.82 ? 1216 HOH A O 1 HETATM 3108 O O . HOH P 9 . ? -4.734 -10.077 26.198 1.00 32.57 ? 1218 HOH A O 1 HETATM 3109 O O . HOH P 9 . ? 11.642 8.498 31.060 1.00 42.74 ? 1219 HOH A O 1 HETATM 3110 O O . HOH P 9 . ? -39.526 3.505 8.892 1.00 42.11 ? 1220 HOH A O 1 HETATM 3111 O O . HOH P 9 . ? 2.468 -2.454 10.652 1.00 41.62 ? 1223 HOH A O 1 HETATM 3112 O O . HOH P 9 . ? -40.017 -13.174 12.525 1.00 50.59 ? 1224 HOH A O 1 HETATM 3113 O O . HOH P 9 . ? -11.491 14.346 6.192 1.00 39.10 ? 1226 HOH A O 1 HETATM 3114 O O . HOH P 9 . ? 2.204 3.975 3.533 1.00 40.55 ? 1227 HOH A O 1 HETATM 3115 O O . HOH P 9 . ? 8.347 20.433 22.599 1.00 47.01 ? 1228 HOH A O 1 HETATM 3116 O O . HOH P 9 . ? -37.538 -11.507 5.608 1.00 47.31 ? 1230 HOH A O 1 HETATM 3117 O O . HOH P 9 . ? -6.820 16.699 24.673 1.00 37.89 ? 1232 HOH A O 1 HETATM 3118 O O . HOH P 9 . ? -9.061 12.038 -6.150 1.00 48.11 ? 1233 HOH A O 1 HETATM 3119 O O . HOH P 9 . ? -19.643 11.697 2.544 1.00 55.89 ? 1234 HOH A O 1 HETATM 3120 O O . HOH P 9 . ? -36.053 -16.085 17.569 1.00 44.82 ? 1235 HOH A O 1 HETATM 3121 O O . HOH P 9 . ? -6.360 -17.518 15.655 1.00 38.34 ? 1236 HOH A O 1 HETATM 3122 O O . HOH P 9 . ? 10.704 -3.865 8.628 1.00 82.06 ? 1237 HOH A O 1 HETATM 3123 O O . HOH P 9 . ? -27.775 9.917 9.663 1.00 30.86 ? 1240 HOH A O 1 HETATM 3124 O O . HOH P 9 . ? -35.392 -5.218 -7.611 1.00 72.51 ? 1241 HOH A O 1 HETATM 3125 O O . HOH P 9 . ? -18.455 16.296 28.211 1.00 27.95 ? 1242 HOH A O 1 HETATM 3126 O O . HOH P 9 . ? -1.077 -3.926 5.246 1.00 51.80 ? 1244 HOH A O 1 HETATM 3127 O O . HOH P 9 . ? -39.856 9.112 20.383 1.00 55.50 ? 1248 HOH A O 1 HETATM 3128 O O . HOH P 9 . ? -9.659 20.759 11.596 1.00 42.87 ? 1249 HOH A O 1 HETATM 3129 O O . HOH P 9 . ? -41.756 -6.710 7.058 1.00 38.64 ? 1250 HOH A O 1 HETATM 3130 O O . HOH P 9 . ? -24.138 15.894 26.099 1.00 52.60 ? 1251 HOH A O 1 HETATM 3131 O O . HOH P 9 . ? -6.930 -16.695 11.313 1.00 52.67 ? 1252 HOH A O 1 HETATM 3132 O O . HOH P 9 . ? -30.141 -19.142 25.182 1.00 57.18 ? 1253 HOH A O 1 HETATM 3133 O O . HOH P 9 . ? -35.463 5.886 12.443 1.00 68.27 ? 1254 HOH A O 1 HETATM 3134 O O . HOH P 9 . ? -1.080 11.977 5.170 1.00 57.10 ? 1255 HOH A O 1 HETATM 3135 O O . HOH P 9 . ? -34.573 2.997 26.508 1.00 52.95 ? 1256 HOH A O 1 HETATM 3136 O O . HOH P 9 . ? -19.380 10.795 34.668 1.00 42.73 ? 1258 HOH A O 1 HETATM 3137 O O . HOH P 9 . ? 0.476 23.446 17.739 1.00 58.34 ? 1259 HOH A O 1 HETATM 3138 O O . HOH P 9 . ? -10.037 2.081 17.757 1.00 35.21 ? 1261 HOH A O 1 HETATM 3139 O O . HOH P 9 . ? -22.916 -20.782 12.604 1.00 45.77 ? 1262 HOH A O 1 HETATM 3140 O O . HOH P 9 . ? -23.311 -20.633 9.881 1.00 77.27 ? 1266 HOH A O 1 HETATM 3141 O O . HOH P 9 . ? -30.654 -18.984 7.647 1.00 47.44 ? 1267 HOH A O 1 HETATM 3142 O O . HOH P 9 . ? 15.730 6.550 28.554 1.00 54.53 ? 1270 HOH A O 1 HETATM 3143 O O . HOH P 9 . ? -39.926 -2.829 11.800 1.00 48.89 ? 1273 HOH A O 1 HETATM 3144 O O . HOH P 9 . ? -24.980 -22.165 14.550 1.00 52.66 ? 1274 HOH A O 1 HETATM 3145 O O . HOH P 9 . ? -8.111 -1.547 4.288 1.00 40.27 ? 1275 HOH A O 1 HETATM 3146 O O . HOH P 9 . ? -14.812 -17.986 3.334 1.00 74.27 ? 1278 HOH A O 1 HETATM 3147 O O . HOH P 9 . ? -20.010 18.690 29.020 1.00 34.04 ? 1280 HOH A O 1 HETATM 3148 O O . HOH P 9 . ? -13.547 -17.613 -1.826 1.00 42.62 ? 1281 HOH A O 1 HETATM 3149 O O . HOH P 9 . ? -32.556 6.677 3.774 1.00 46.16 ? 1283 HOH A O 1 HETATM 3150 O O . HOH P 9 . ? 11.952 11.141 32.946 1.00 43.68 ? 1284 HOH A O 1 HETATM 3151 O O . HOH P 9 . ? -34.825 -9.699 27.763 1.00 54.83 ? 1287 HOH A O 1 HETATM 3152 O O . HOH P 9 . ? -26.680 13.198 10.659 1.00 66.49 ? 1288 HOH A O 1 HETATM 3153 O O . HOH P 9 . ? 1.525 21.391 15.352 1.00 56.82 ? 1290 HOH A O 1 HETATM 3154 O O . HOH P 9 . ? -35.886 1.060 30.989 1.00 51.73 ? 1291 HOH A O 1 HETATM 3155 O O . HOH P 9 . ? -9.739 -18.825 9.441 1.00 36.91 ? 1295 HOH A O 1 HETATM 3156 O O . HOH P 9 . ? -15.248 -8.007 -8.594 1.00 64.08 ? 1297 HOH A O 1 HETATM 3157 O O . HOH P 9 . ? 6.701 -1.190 6.743 1.00 47.55 ? 1298 HOH A O 1 HETATM 3158 O O . HOH P 9 . ? -11.654 -19.128 0.052 1.00 44.44 ? 1299 HOH A O 1 HETATM 3159 O O . HOH P 9 . ? -12.005 17.501 -4.692 1.00 60.25 ? 1301 HOH A O 1 HETATM 3160 O O . HOH P 9 . ? -1.056 24.084 21.104 1.00 70.57 ? 1303 HOH A O 1 HETATM 3161 O O . HOH P 9 . ? -1.971 -9.693 13.263 1.00 31.52 ? 1305 HOH A O 1 HETATM 3162 O O . HOH P 9 . ? 6.360 -8.921 15.125 1.00 58.78 ? 1306 HOH A O 1 HETATM 3163 O O . HOH P 9 . ? 9.865 -2.174 23.513 1.00 55.35 ? 1307 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 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P # _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 O ? P HOH . ? A HOH 893 ? 1_555 ZN ? M ZN . ? A ZN 82 ? 1_555 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 116.5 ? 2 O ? P HOH . ? A HOH 893 ? 1_555 ZN ? M ZN . ? A ZN 82 ? 1_555 O ? P HOH . ? A HOH 1240 ? 1_555 90.1 ? 3 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? M ZN . ? A ZN 82 ? 1_555 O ? P HOH . ? A HOH 1240 ? 1_555 95.1 ? 4 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? L ZN . ? A ZN 81 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 62.8 ? 5 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 98.6 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 172.2 ? 7 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 88.4 ? 8 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O2 ? O CO3 . ? A CO3 85 ? 1_555 95.5 ? 9 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O2 ? O CO3 . ? A CO3 85 ? 1_555 93.0 ? 10 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O2 ? O CO3 . ? A CO3 85 ? 1_555 87.5 ? 11 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O1 ? O CO3 . ? A CO3 85 ? 1_555 89.2 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O1 ? O CO3 . ? A CO3 85 ? 1_555 154.5 ? 13 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O1 ? O CO3 . ? A CO3 85 ? 1_555 85.9 ? 14 O2 ? O CO3 . ? A CO3 85 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O1 ? O CO3 . ? A CO3 85 ? 1_555 62.0 ? 15 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 72.5 ? 16 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 103.4 ? 17 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 102.6 ? 18 O2 ? O CO3 . ? A CO3 85 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 160.8 ? 19 O1 ? O CO3 . ? A CO3 85 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 102.1 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2010-02-16 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2011-09-07 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Database references' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 MOLREP phasing . ? 2 REFMAC refinement 5.2.0019 ? 3 AUTOMAR 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3KJ7 _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;THERE ARE CONFLICTS BETWEEN SEQRES(LYS A 565, GLU A 608) AND SEQUENCE DATABASE (ASN, LYS). AUTHORS BELIEVE THAT THE SEQRES IS CORRECT AND IS THE TRUE IDENTITY OF THESE RESIDUES AND IS NATURAL MUTANT. ; _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 TRP _pdbx_validate_rmsd_bond.auth_seq_id_1 560 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 CG _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 TRP _pdbx_validate_rmsd_bond.auth_seq_id_2 560 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.387 _pdbx_validate_rmsd_bond.bond_target_value 1.498 _pdbx_validate_rmsd_bond.bond_deviation -0.111 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.018 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CA A VAL 345 ? ? C A VAL 345 ? ? N A VAL 346 ? ? 103.72 117.20 -13.48 2.20 Y 2 1 O A VAL 345 ? ? C A VAL 345 ? ? N A VAL 346 ? ? 135.44 122.70 12.74 1.60 Y 3 1 CA A THR 373 ? ? CB A THR 373 ? ? CG2 A THR 373 ? ? 102.07 112.40 -10.33 1.40 N 4 1 CD A LYS 416 ? ? CE A LYS 416 ? ? NZ A LYS 416 ? ? 147.32 111.70 35.62 2.30 N 5 1 CD A LYS 440 ? ? CE A LYS 440 ? ? NZ A LYS 440 ? ? 96.66 111.70 -15.04 2.30 N 6 1 CB A GLU 646 ? ? CG A GLU 646 ? ? CD A GLU 646 ? ? 130.93 114.20 16.73 2.70 N 7 1 CD A LYS 673 ? ? CE A LYS 673 ? ? NZ A LYS 673 ? ? 131.24 111.70 19.54 2.30 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 THR A 343 ? ? -70.25 34.70 2 1 VAL A 410 ? ? -120.54 -56.28 3 1 SER A 417 ? ? -140.48 -158.65 4 1 ASP A 462 ? ? 80.23 -7.02 5 1 TRP A 467 ? ? -144.23 -61.28 6 1 ALA A 482 ? ? -84.26 48.54 7 1 VAL A 543 ? ? -133.47 -158.66 8 1 THR A 557 ? ? 73.31 -15.86 9 1 ASN A 621 ? ? -98.23 33.79 10 1 CYS A 625 ? ? -62.94 -73.60 11 1 PRO A 626 ? ? -47.77 -11.12 12 1 ASP A 627 ? ? -126.71 -55.80 13 1 SER A 634 ? ? -167.07 43.54 14 1 THR A 636 ? ? 46.36 21.95 15 1 LEU A 640 ? ? 73.91 -48.37 16 1 ARG A 654 ? ? 35.37 66.20 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 PRO _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 626 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 ASP _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 627 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega -135.14 # 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 CELLOTRIOSE CTR 3 N-ACETYL-D-GLUCOSAMINE NAG 4 ALPHA-D-MANNOSE MAN 5 'SULFATE ION' SO4 6 'ZINC ION' ZN 7 'FE (III) ION' FE 8 'CARBONATE ION' CO3 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 CTR 1 1 1 CTR CTR A . C 3 NAG 1 2 2 NAG NAG A . D 3 NAG 2 687 1 NAG NAG A . E 3 NAG 1 3 3 NAG NAG A . F 3 NAG 2 4 4 NAG NAG A . G 4 MAN 3 5 5 MAN MAN A . H 3 NAG 1 8 8 NAG NAG A . I 3 NAG 2 9 9 NAG NAG A . J 4 MAN 3 10 10 MAN MAN A . K 5 SO4 1 68 68 SO4 SO4 A . L 6 ZN 1 81 81 ZN ZN A . M 6 ZN 1 82 82 ZN ZN A . N 7 FE 1 84 84 FE FE A . O 8 CO3 1 85 85 CO3 CO3 A . P 9 HOH 1 806 806 HOH HOH A . P 9 HOH 2 807 807 HOH HOH A . P 9 HOH 3 808 808 HOH HOH A . P 9 HOH 4 809 809 HOH HOH A . P 9 HOH 5 810 810 HOH HOH A . P 9 HOH 6 811 811 HOH HOH A . P 9 HOH 7 812 812 HOH HOH A . P 9 HOH 8 813 813 HOH HOH A . P 9 HOH 9 814 814 HOH HOH A . P 9 HOH 10 815 815 HOH HOH A . P 9 HOH 11 816 816 HOH HOH A . P 9 HOH 12 817 817 HOH HOH A . P 9 HOH 13 818 818 HOH HOH A . P 9 HOH 14 819 819 HOH HOH A . P 9 HOH 15 820 820 HOH HOH A . P 9 HOH 16 821 821 HOH HOH A . P 9 HOH 17 822 822 HOH HOH A . P 9 HOH 18 823 823 HOH HOH A . P 9 HOH 19 824 824 HOH HOH A . P 9 HOH 20 825 825 HOH HOH A . P 9 HOH 21 826 826 HOH HOH A . P 9 HOH 22 827 827 HOH HOH A . P 9 HOH 23 828 828 HOH HOH A . P 9 HOH 24 829 829 HOH HOH A . P 9 HOH 25 830 830 HOH HOH A . P 9 HOH 26 831 831 HOH HOH A . P 9 HOH 27 832 832 HOH HOH A . P 9 HOH 28 833 833 HOH HOH A . P 9 HOH 29 834 834 HOH HOH A . P 9 HOH 30 835 835 HOH HOH A . P 9 HOH 31 836 836 HOH HOH A . P 9 HOH 32 837 837 HOH HOH A . P 9 HOH 33 838 838 HOH HOH A . P 9 HOH 34 839 839 HOH HOH A . P 9 HOH 35 840 840 HOH HOH A . P 9 HOH 36 841 841 HOH HOH A . P 9 HOH 37 842 842 HOH HOH A . P 9 HOH 38 843 843 HOH HOH A . P 9 HOH 39 844 844 HOH HOH A . P 9 HOH 40 845 845 HOH HOH A . P 9 HOH 41 846 846 HOH HOH A . P 9 HOH 42 847 847 HOH HOH A . P 9 HOH 43 848 848 HOH HOH A . P 9 HOH 44 849 849 HOH HOH A . P 9 HOH 45 850 850 HOH HOH A . P 9 HOH 46 851 851 HOH HOH A . P 9 HOH 47 852 852 HOH HOH A . P 9 HOH 48 853 853 HOH HOH A . P 9 HOH 49 854 854 HOH HOH A . P 9 HOH 50 855 855 HOH HOH A . P 9 HOH 51 856 856 HOH HOH A . P 9 HOH 52 857 857 HOH HOH A . P 9 HOH 53 858 858 HOH HOH A . P 9 HOH 54 859 859 HOH HOH A . P 9 HOH 55 861 861 HOH HOH A . P 9 HOH 56 862 862 HOH HOH A . P 9 HOH 57 864 864 HOH HOH A . P 9 HOH 58 866 866 HOH HOH A . P 9 HOH 59 867 867 HOH HOH A . P 9 HOH 60 868 868 HOH HOH A . P 9 HOH 61 869 869 HOH HOH A . P 9 HOH 62 870 870 HOH HOH A . P 9 HOH 63 871 871 HOH HOH A . P 9 HOH 64 872 872 HOH HOH A . P 9 HOH 65 873 873 HOH HOH A . P 9 HOH 66 874 874 HOH HOH A . P 9 HOH 67 875 875 HOH HOH A . P 9 HOH 68 876 876 HOH HOH A . P 9 HOH 69 877 877 HOH HOH A . P 9 HOH 70 878 878 HOH HOH A . P 9 HOH 71 879 879 HOH HOH A . P 9 HOH 72 880 880 HOH HOH A . P 9 HOH 73 881 881 HOH HOH A . P 9 HOH 74 882 882 HOH HOH A . P 9 HOH 75 883 883 HOH HOH A . P 9 HOH 76 884 884 HOH HOH A . P 9 HOH 77 885 885 HOH HOH A . P 9 HOH 78 887 887 HOH HOH A . P 9 HOH 79 888 888 HOH HOH A . P 9 HOH 80 889 889 HOH HOH A . P 9 HOH 81 890 890 HOH HOH A . P 9 HOH 82 891 891 HOH HOH A . P 9 HOH 83 892 892 HOH HOH A . P 9 HOH 84 893 893 HOH HOH A . P 9 HOH 85 894 894 HOH HOH A . P 9 HOH 86 895 895 HOH HOH A . P 9 HOH 87 897 897 HOH HOH A . P 9 HOH 88 898 898 HOH HOH A . P 9 HOH 89 899 899 HOH HOH A . P 9 HOH 90 900 900 HOH HOH A . P 9 HOH 91 901 901 HOH HOH A . P 9 HOH 92 902 902 HOH HOH A . P 9 HOH 93 903 903 HOH HOH A . P 9 HOH 94 904 904 HOH HOH A . P 9 HOH 95 905 905 HOH HOH A . P 9 HOH 96 906 906 HOH HOH A . P 9 HOH 97 907 907 HOH HOH A . P 9 HOH 98 908 908 HOH HOH A . P 9 HOH 99 909 909 HOH HOH A . P 9 HOH 100 910 910 HOH HOH A . P 9 HOH 101 911 911 HOH HOH A . P 9 HOH 102 912 912 HOH HOH A . P 9 HOH 103 913 913 HOH HOH A . P 9 HOH 104 914 914 HOH HOH A . P 9 HOH 105 915 915 HOH HOH A . P 9 HOH 106 917 917 HOH HOH A . P 9 HOH 107 918 918 HOH HOH A . P 9 HOH 108 919 919 HOH HOH A . P 9 HOH 109 921 921 HOH HOH A . P 9 HOH 110 922 922 HOH HOH A . P 9 HOH 111 923 923 HOH HOH A . P 9 HOH 112 924 924 HOH HOH A . P 9 HOH 113 925 925 HOH HOH A . P 9 HOH 114 926 926 HOH HOH A . P 9 HOH 115 927 927 HOH HOH A . P 9 HOH 116 929 929 HOH HOH A . P 9 HOH 117 930 930 HOH HOH A . P 9 HOH 118 931 931 HOH HOH A . P 9 HOH 119 932 932 HOH HOH A . P 9 HOH 120 933 933 HOH HOH A . P 9 HOH 121 934 934 HOH HOH A . P 9 HOH 122 935 935 HOH HOH A . P 9 HOH 123 936 936 HOH HOH A . P 9 HOH 124 937 937 HOH HOH A . P 9 HOH 125 939 939 HOH HOH A . P 9 HOH 126 940 940 HOH HOH A . P 9 HOH 127 941 941 HOH HOH A . P 9 HOH 128 942 942 HOH HOH A . P 9 HOH 129 944 944 HOH HOH A . P 9 HOH 130 945 945 HOH HOH A . P 9 HOH 131 946 946 HOH HOH A . P 9 HOH 132 947 947 HOH HOH A . P 9 HOH 133 948 948 HOH HOH A . P 9 HOH 134 950 950 HOH HOH A . P 9 HOH 135 951 951 HOH HOH A . P 9 HOH 136 952 952 HOH HOH A . P 9 HOH 137 953 953 HOH HOH A . P 9 HOH 138 954 954 HOH HOH A . P 9 HOH 139 955 955 HOH HOH A . P 9 HOH 140 957 957 HOH HOH A . P 9 HOH 141 958 958 HOH HOH A . P 9 HOH 142 960 960 HOH HOH A . P 9 HOH 143 961 961 HOH HOH A . P 9 HOH 144 963 963 HOH HOH A . P 9 HOH 145 964 964 HOH HOH A . P 9 HOH 146 965 965 HOH HOH A . P 9 HOH 147 967 967 HOH HOH A . P 9 HOH 148 968 968 HOH HOH A . P 9 HOH 149 969 969 HOH HOH A . P 9 HOH 150 970 970 HOH HOH A . P 9 HOH 151 971 971 HOH HOH A . P 9 HOH 152 972 972 HOH HOH A . P 9 HOH 153 973 973 HOH HOH A . P 9 HOH 154 974 974 HOH HOH A . P 9 HOH 155 975 975 HOH HOH A . P 9 HOH 156 977 977 HOH HOH A . P 9 HOH 157 978 978 HOH HOH A . P 9 HOH 158 979 979 HOH HOH A . P 9 HOH 159 980 980 HOH HOH A . P 9 HOH 160 981 981 HOH HOH A . P 9 HOH 161 982 982 HOH HOH A . P 9 HOH 162 984 984 HOH HOH A . P 9 HOH 163 986 986 HOH HOH A . P 9 HOH 164 987 987 HOH HOH A . P 9 HOH 165 988 988 HOH HOH A . P 9 HOH 166 989 989 HOH HOH A . P 9 HOH 167 990 990 HOH HOH A . P 9 HOH 168 991 991 HOH HOH A . P 9 HOH 169 992 992 HOH HOH A . P 9 HOH 170 995 995 HOH HOH A . P 9 HOH 171 998 998 HOH HOH A . P 9 HOH 172 999 999 HOH HOH A . P 9 HOH 173 1000 1000 HOH HOH A . P 9 HOH 174 1001 1001 HOH HOH A . P 9 HOH 175 1002 1002 HOH HOH A . P 9 HOH 176 1003 1003 HOH HOH A . P 9 HOH 177 1004 1004 HOH HOH A . P 9 HOH 178 1005 1005 HOH HOH A . P 9 HOH 179 1006 1006 HOH HOH A . P 9 HOH 180 1007 1007 HOH HOH A . P 9 HOH 181 1009 1009 HOH HOH A . P 9 HOH 182 1010 1010 HOH HOH A . P 9 HOH 183 1011 1011 HOH HOH A . P 9 HOH 184 1014 1014 HOH HOH A . P 9 HOH 185 1015 1015 HOH HOH A . P 9 HOH 186 1016 1016 HOH HOH A . P 9 HOH 187 1017 1017 HOH HOH A . P 9 HOH 188 1018 1018 HOH HOH A . P 9 HOH 189 1019 1019 HOH HOH A . P 9 HOH 190 1020 1020 HOH HOH A . P 9 HOH 191 1021 1021 HOH HOH A . P 9 HOH 192 1022 1022 HOH HOH A . P 9 HOH 193 1023 1023 HOH HOH A . P 9 HOH 194 1024 1024 HOH HOH A . P 9 HOH 195 1025 1025 HOH HOH A . P 9 HOH 196 1026 1026 HOH HOH A . P 9 HOH 197 1027 1027 HOH HOH A . P 9 HOH 198 1029 1029 HOH HOH A . P 9 HOH 199 1030 1030 HOH HOH A . P 9 HOH 200 1031 1031 HOH HOH A . P 9 HOH 201 1032 1032 HOH HOH A . P 9 HOH 202 1034 1034 HOH HOH A . P 9 HOH 203 1035 1035 HOH HOH A . P 9 HOH 204 1036 1036 HOH HOH A . P 9 HOH 205 1037 1037 HOH HOH A . P 9 HOH 206 1038 1038 HOH HOH A . P 9 HOH 207 1039 1039 HOH HOH A . P 9 HOH 208 1040 1040 HOH HOH A . P 9 HOH 209 1041 1041 HOH HOH A . P 9 HOH 210 1042 1042 HOH HOH A . P 9 HOH 211 1043 1043 HOH HOH A . P 9 HOH 212 1044 1044 HOH HOH A . P 9 HOH 213 1045 1045 HOH HOH A . P 9 HOH 214 1046 1046 HOH HOH A . P 9 HOH 215 1047 1047 HOH HOH A . P 9 HOH 216 1048 1048 HOH HOH A . P 9 HOH 217 1049 1049 HOH HOH A . P 9 HOH 218 1051 1051 HOH HOH A . P 9 HOH 219 1052 1052 HOH HOH A . P 9 HOH 220 1053 1053 HOH HOH A . P 9 HOH 221 1054 1054 HOH HOH A . P 9 HOH 222 1055 1055 HOH HOH A . P 9 HOH 223 1056 1056 HOH HOH A . P 9 HOH 224 1057 1057 HOH HOH A . P 9 HOH 225 1058 1058 HOH HOH A . P 9 HOH 226 1059 1059 HOH HOH A . P 9 HOH 227 1060 1060 HOH HOH A . P 9 HOH 228 1061 1061 HOH HOH A . P 9 HOH 229 1062 1062 HOH HOH A . P 9 HOH 230 1063 1063 HOH HOH A . P 9 HOH 231 1064 1064 HOH HOH A . P 9 HOH 232 1065 1065 HOH HOH A . P 9 HOH 233 1066 1066 HOH HOH A . P 9 HOH 234 1067 1067 HOH HOH A . P 9 HOH 235 1068 1068 HOH HOH A . P 9 HOH 236 1070 1070 HOH HOH A . P 9 HOH 237 1071 1071 HOH HOH A . P 9 HOH 238 1072 1072 HOH HOH A . P 9 HOH 239 1073 1073 HOH HOH A . P 9 HOH 240 1074 1074 HOH HOH A . P 9 HOH 241 1078 1078 HOH HOH A . P 9 HOH 242 1079 1079 HOH HOH A . P 9 HOH 243 1080 1080 HOH HOH A . P 9 HOH 244 1081 1081 HOH HOH A . P 9 HOH 245 1083 1083 HOH HOH A . P 9 HOH 246 1084 1084 HOH HOH A . P 9 HOH 247 1085 1085 HOH HOH A . P 9 HOH 248 1086 1086 HOH HOH A . P 9 HOH 249 1087 1087 HOH HOH A . P 9 HOH 250 1088 1088 HOH HOH A . P 9 HOH 251 1089 1089 HOH HOH A . P 9 HOH 252 1090 1090 HOH HOH A . P 9 HOH 253 1091 1091 HOH HOH A . P 9 HOH 254 1092 1092 HOH HOH A . P 9 HOH 255 1093 1093 HOH HOH A . P 9 HOH 256 1094 1094 HOH HOH A . P 9 HOH 257 1095 1095 HOH HOH A . P 9 HOH 258 1097 1097 HOH HOH A . P 9 HOH 259 1098 1098 HOH HOH A . P 9 HOH 260 1099 1099 HOH HOH A . P 9 HOH 261 1100 1100 HOH HOH A . P 9 HOH 262 1101 1101 HOH HOH A . P 9 HOH 263 1102 1102 HOH HOH A . P 9 HOH 264 1104 1104 HOH HOH A . P 9 HOH 265 1105 1105 HOH HOH A . P 9 HOH 266 1106 1106 HOH HOH A . P 9 HOH 267 1107 1107 HOH HOH A . P 9 HOH 268 1108 1108 HOH HOH A . P 9 HOH 269 1109 1109 HOH HOH A . P 9 HOH 270 1110 1110 HOH HOH A . P 9 HOH 271 1112 1112 HOH HOH A . P 9 HOH 272 1113 1113 HOH HOH A . P 9 HOH 273 1114 1114 HOH HOH A . P 9 HOH 274 1115 1115 HOH HOH A . P 9 HOH 275 1116 1116 HOH HOH A . P 9 HOH 276 1117 1117 HOH HOH A . P 9 HOH 277 1118 1118 HOH HOH A . P 9 HOH 278 1120 1120 HOH HOH A . P 9 HOH 279 1121 1121 HOH HOH A . P 9 HOH 280 1122 1122 HOH HOH A . P 9 HOH 281 1123 1123 HOH HOH A . P 9 HOH 282 1124 1124 HOH HOH A . P 9 HOH 283 1125 1125 HOH HOH A . P 9 HOH 284 1126 1126 HOH HOH A . P 9 HOH 285 1127 1127 HOH HOH A . P 9 HOH 286 1128 1128 HOH HOH A . P 9 HOH 287 1129 1129 HOH HOH A . P 9 HOH 288 1131 1131 HOH HOH A . P 9 HOH 289 1133 1133 HOH HOH A . P 9 HOH 290 1134 1134 HOH HOH A . P 9 HOH 291 1136 1136 HOH HOH A . P 9 HOH 292 1137 1137 HOH HOH A . P 9 HOH 293 1138 1138 HOH HOH A . P 9 HOH 294 1139 1139 HOH HOH A . P 9 HOH 295 1140 1140 HOH HOH A . P 9 HOH 296 1142 1142 HOH HOH A . P 9 HOH 297 1143 1143 HOH HOH A . P 9 HOH 298 1144 1144 HOH HOH A . P 9 HOH 299 1145 1145 HOH HOH A . P 9 HOH 300 1146 1146 HOH HOH A . P 9 HOH 301 1147 1147 HOH HOH A . P 9 HOH 302 1148 1148 HOH HOH A . P 9 HOH 303 1149 1149 HOH HOH A . P 9 HOH 304 1150 1150 HOH HOH A . P 9 HOH 305 1152 1152 HOH HOH A . P 9 HOH 306 1153 1153 HOH HOH A . P 9 HOH 307 1154 1154 HOH HOH A . P 9 HOH 308 1155 1155 HOH HOH A . P 9 HOH 309 1156 1156 HOH HOH A . P 9 HOH 310 1157 1157 HOH HOH A . P 9 HOH 311 1158 1158 HOH HOH A . P 9 HOH 312 1161 1161 HOH HOH A . P 9 HOH 313 1162 1162 HOH HOH A . P 9 HOH 314 1164 1164 HOH HOH A . P 9 HOH 315 1165 1165 HOH HOH A . P 9 HOH 316 1166 1166 HOH HOH A . P 9 HOH 317 1167 1167 HOH HOH A . P 9 HOH 318 1168 1168 HOH HOH A . P 9 HOH 319 1170 1170 HOH HOH A . P 9 HOH 320 1172 1172 HOH HOH A . P 9 HOH 321 1173 1173 HOH HOH A . P 9 HOH 322 1175 1175 HOH HOH A . P 9 HOH 323 1176 1176 HOH HOH A . P 9 HOH 324 1177 1177 HOH HOH A . P 9 HOH 325 1179 1179 HOH HOH A . P 9 HOH 326 1181 1181 HOH HOH A . P 9 HOH 327 1183 1183 HOH HOH A . P 9 HOH 328 1184 1184 HOH HOH A . P 9 HOH 329 1186 1186 HOH HOH A . P 9 HOH 330 1188 1188 HOH HOH A . P 9 HOH 331 1189 1189 HOH HOH A . P 9 HOH 332 1190 1190 HOH HOH A . P 9 HOH 333 1194 1194 HOH HOH A . P 9 HOH 334 1195 1195 HOH HOH A . P 9 HOH 335 1196 1196 HOH HOH A . P 9 HOH 336 1197 1197 HOH HOH A . P 9 HOH 337 1198 1198 HOH HOH A . P 9 HOH 338 1199 1199 HOH HOH A . P 9 HOH 339 1202 1202 HOH HOH A . P 9 HOH 340 1203 1203 HOH HOH A . P 9 HOH 341 1204 1204 HOH HOH A . P 9 HOH 342 1206 1206 HOH HOH A . P 9 HOH 343 1207 1207 HOH HOH A . P 9 HOH 344 1208 1208 HOH HOH A . P 9 HOH 345 1209 1209 HOH HOH A . P 9 HOH 346 1210 1210 HOH HOH A . P 9 HOH 347 1212 1212 HOH HOH A . P 9 HOH 348 1213 1213 HOH HOH A . P 9 HOH 349 1214 1214 HOH HOH A . P 9 HOH 350 1215 1215 HOH HOH A . P 9 HOH 351 1216 1216 HOH HOH A . P 9 HOH 352 1218 1218 HOH HOH A . P 9 HOH 353 1219 1219 HOH HOH A . P 9 HOH 354 1220 1220 HOH HOH A . P 9 HOH 355 1223 1223 HOH HOH A . P 9 HOH 356 1224 1224 HOH HOH A . P 9 HOH 357 1226 1226 HOH HOH A . P 9 HOH 358 1227 1227 HOH HOH A . P 9 HOH 359 1228 1228 HOH HOH A . P 9 HOH 360 1230 1230 HOH HOH A . P 9 HOH 361 1232 1232 HOH HOH A . P 9 HOH 362 1233 1233 HOH HOH A . P 9 HOH 363 1234 1234 HOH HOH A . P 9 HOH 364 1235 1235 HOH HOH A . P 9 HOH 365 1236 1236 HOH HOH A . P 9 HOH 366 1237 1237 HOH HOH A . P 9 HOH 367 1240 1240 HOH HOH A . P 9 HOH 368 1241 1241 HOH HOH A . P 9 HOH 369 1242 1242 HOH HOH A . P 9 HOH 370 1244 1244 HOH HOH A . P 9 HOH 371 1248 1248 HOH HOH A . P 9 HOH 372 1249 1249 HOH HOH A . P 9 HOH 373 1250 1250 HOH HOH A . P 9 HOH 374 1251 1251 HOH HOH A . P 9 HOH 375 1252 1252 HOH HOH A . P 9 HOH 376 1253 1253 HOH HOH A . P 9 HOH 377 1254 1254 HOH HOH A . P 9 HOH 378 1255 1255 HOH HOH A . P 9 HOH 379 1256 1256 HOH HOH A . P 9 HOH 380 1258 1258 HOH HOH A . P 9 HOH 381 1259 1259 HOH HOH A . P 9 HOH 382 1261 1261 HOH HOH A . P 9 HOH 383 1262 1262 HOH HOH A . P 9 HOH 384 1266 1266 HOH HOH A . P 9 HOH 385 1267 1267 HOH HOH A . P 9 HOH 386 1270 1270 HOH HOH A . P 9 HOH 387 1273 1273 HOH HOH A . P 9 HOH 388 1274 1274 HOH HOH A . P 9 HOH 389 1275 1275 HOH HOH A . P 9 HOH 390 1278 1278 HOH HOH A . P 9 HOH 391 1280 1280 HOH HOH A . P 9 HOH 392 1281 1281 HOH HOH A . P 9 HOH 393 1283 1283 HOH HOH A . P 9 HOH 394 1284 1284 HOH HOH A . P 9 HOH 395 1287 1287 HOH HOH A . P 9 HOH 396 1288 1288 HOH HOH A . P 9 HOH 397 1290 1290 HOH HOH A . P 9 HOH 398 1291 1291 HOH HOH A . P 9 HOH 399 1295 1295 HOH HOH A . P 9 HOH 400 1297 1297 HOH HOH A . P 9 HOH 401 1298 1298 HOH HOH A . P 9 HOH 402 1299 1299 HOH HOH A . P 9 HOH 403 1301 1301 HOH HOH A . P 9 HOH 404 1303 1303 HOH HOH A . P 9 HOH 405 1305 1305 HOH HOH A . P 9 HOH 406 1306 1306 HOH HOH A . P 9 HOH 407 1307 1307 HOH HOH A . #