data_2PI6 # _entry.id 2PI6 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2PI6 RCSB RCSB042401 WWPDB D_1000042401 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1ZL1 ;Crystal structure of the complex of signalling protein from sheep (SPS-40) with a designed peptide Trp-His-Trp reveals significance of Asn79 and Trp191 in the complex formation ; unspecified PDB 2DPE 'Crystal structure of a secretory 40KDA glycoprotein from sheep at 2.0A resolution' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2PI6 _pdbx_database_status.recvd_initial_deposition_date 2007-04-13 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Sharma, P.' 1 'Singh, N.' 2 'Sharma, S.' 3 'Kaur, P.' 4 'Betzel, C.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title ;Tryptophan as a three-way switch in regulating the function of the secretory signalling glycoprotein (SPS-40) from mammary glands: structure of SPS-40 complexed with 2-methylpentane-2,4-diol at 1.6 A resolution. ; _citation.journal_abbrev 'Acta Crystallogr.,Sect.D' _citation.journal_volume 65 _citation.page_first 375 _citation.page_last 378 _citation.year 2009 _citation.journal_id_ASTM ABCRE6 _citation.country DK _citation.journal_id_ISSN 0907-4449 _citation.journal_id_CSD 0766 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 19307719 _citation.pdbx_database_id_DOI 10.1107/S0907444909002327 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Sharma, P.' 1 primary 'Singh, N.' 2 primary 'Sinha, M.' 3 primary 'Sharma, S.' 4 primary 'Perbandt, M.' 5 primary 'Betzel, C.' 6 primary 'Kaur, P.' 7 primary 'Srinivasan, A.' 8 primary 'Singh, T.P.' 9 # _cell.entry_id 2PI6 _cell.length_a 60.873 _cell.length_b 66.415 _cell.length_c 105.692 _cell.angle_alpha 90.0 _cell.angle_beta 90.0 _cell.angle_gamma 90.0 _cell.pdbx_unique_axis ? _cell.Z_PDB 4 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 2PI6 _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.Int_Tables_number 19 _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'Chitinase-3-like protein 1' 40757.027 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 non-polymer man ALPHA-D-MANNOSE 180.156 3 ? ? ? ? 4 non-polymer syn '(4S)-2-METHYL-2,4-PENTANEDIOL' 118.174 2 ? ? ? ? 5 non-polymer syn ETHANOL 46.068 3 ? ? ? ? 6 water nat water 18.015 586 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Signal-processing protein, Secretory glyoprotein of 40 kDa' # _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 ;YKLICYYTSWSQYREGDGSCFPDAIDPFLCTHVIYTFANISNNEIDTWEWNDVTLYDTLNTLKNRNPKLKTLLSVGGWNF GPERFSKIASKTQSRRTFIKSVPPFLRTHGFDGLDLAWLYPGRRDKRHLTTLVKEMKAEFIREAQAGTEQLLLSAAVSAG KIAIDRGYDIAQISRHLDFISLLTYDFHGAWRQTVGHHSPLFRGNEDASSRFSNADYAVSYMLRLGAPANKLVMGIPTFG RSFTLASSKTDVGAPVSGPGIPGRFTKEKGILAYYEICDFLHGATTHRFRDQQVPYATKGNQWVAYDDQESVKNKARYLK NRQLAGAMVWALDLDDFRGTFCGQNLTFPLTSAVKDVLAEA ; _entity_poly.pdbx_seq_one_letter_code_can ;YKLICYYTSWSQYREGDGSCFPDAIDPFLCTHVIYTFANISNNEIDTWEWNDVTLYDTLNTLKNRNPKLKTLLSVGGWNF GPERFSKIASKTQSRRTFIKSVPPFLRTHGFDGLDLAWLYPGRRDKRHLTTLVKEMKAEFIREAQAGTEQLLLSAAVSAG KIAIDRGYDIAQISRHLDFISLLTYDFHGAWRQTVGHHSPLFRGNEDASSRFSNADYAVSYMLRLGAPANKLVMGIPTFG RSFTLASSKTDVGAPVSGPGIPGRFTKEKGILAYYEICDFLHGATTHRFRDQQVPYATKGNQWVAYDDQESVKNKARYLK NRQLAGAMVWALDLDDFRGTFCGQNLTFPLTSAVKDVLAEA ; _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 LYS n 1 3 LEU n 1 4 ILE n 1 5 CYS n 1 6 TYR n 1 7 TYR n 1 8 THR n 1 9 SER n 1 10 TRP n 1 11 SER n 1 12 GLN n 1 13 TYR n 1 14 ARG n 1 15 GLU n 1 16 GLY n 1 17 ASP n 1 18 GLY n 1 19 SER n 1 20 CYS n 1 21 PHE n 1 22 PRO n 1 23 ASP n 1 24 ALA n 1 25 ILE n 1 26 ASP n 1 27 PRO n 1 28 PHE n 1 29 LEU n 1 30 CYS n 1 31 THR n 1 32 HIS n 1 33 VAL n 1 34 ILE n 1 35 TYR n 1 36 THR n 1 37 PHE n 1 38 ALA n 1 39 ASN n 1 40 ILE n 1 41 SER n 1 42 ASN n 1 43 ASN n 1 44 GLU n 1 45 ILE n 1 46 ASP n 1 47 THR n 1 48 TRP n 1 49 GLU n 1 50 TRP n 1 51 ASN n 1 52 ASP n 1 53 VAL n 1 54 THR n 1 55 LEU n 1 56 TYR n 1 57 ASP n 1 58 THR n 1 59 LEU n 1 60 ASN n 1 61 THR n 1 62 LEU n 1 63 LYS n 1 64 ASN n 1 65 ARG n 1 66 ASN n 1 67 PRO n 1 68 LYS n 1 69 LEU n 1 70 LYS n 1 71 THR n 1 72 LEU n 1 73 LEU n 1 74 SER n 1 75 VAL n 1 76 GLY n 1 77 GLY n 1 78 TRP n 1 79 ASN n 1 80 PHE n 1 81 GLY n 1 82 PRO n 1 83 GLU n 1 84 ARG n 1 85 PHE n 1 86 SER n 1 87 LYS n 1 88 ILE n 1 89 ALA n 1 90 SER n 1 91 LYS n 1 92 THR n 1 93 GLN n 1 94 SER n 1 95 ARG n 1 96 ARG n 1 97 THR n 1 98 PHE n 1 99 ILE n 1 100 LYS n 1 101 SER n 1 102 VAL n 1 103 PRO n 1 104 PRO n 1 105 PHE n 1 106 LEU n 1 107 ARG n 1 108 THR n 1 109 HIS n 1 110 GLY n 1 111 PHE n 1 112 ASP n 1 113 GLY n 1 114 LEU n 1 115 ASP n 1 116 LEU n 1 117 ALA n 1 118 TRP n 1 119 LEU n 1 120 TYR n 1 121 PRO n 1 122 GLY n 1 123 ARG n 1 124 ARG n 1 125 ASP n 1 126 LYS n 1 127 ARG n 1 128 HIS n 1 129 LEU n 1 130 THR n 1 131 THR n 1 132 LEU n 1 133 VAL n 1 134 LYS n 1 135 GLU n 1 136 MET n 1 137 LYS n 1 138 ALA n 1 139 GLU n 1 140 PHE n 1 141 ILE n 1 142 ARG n 1 143 GLU n 1 144 ALA n 1 145 GLN n 1 146 ALA n 1 147 GLY n 1 148 THR n 1 149 GLU n 1 150 GLN n 1 151 LEU n 1 152 LEU n 1 153 LEU n 1 154 SER n 1 155 ALA n 1 156 ALA n 1 157 VAL n 1 158 SER n 1 159 ALA n 1 160 GLY n 1 161 LYS n 1 162 ILE n 1 163 ALA n 1 164 ILE n 1 165 ASP n 1 166 ARG n 1 167 GLY n 1 168 TYR n 1 169 ASP n 1 170 ILE n 1 171 ALA n 1 172 GLN n 1 173 ILE n 1 174 SER n 1 175 ARG n 1 176 HIS n 1 177 LEU n 1 178 ASP n 1 179 PHE n 1 180 ILE n 1 181 SER n 1 182 LEU n 1 183 LEU n 1 184 THR n 1 185 TYR n 1 186 ASP n 1 187 PHE n 1 188 HIS n 1 189 GLY n 1 190 ALA n 1 191 TRP n 1 192 ARG n 1 193 GLN n 1 194 THR n 1 195 VAL n 1 196 GLY n 1 197 HIS n 1 198 HIS n 1 199 SER n 1 200 PRO n 1 201 LEU n 1 202 PHE n 1 203 ARG n 1 204 GLY n 1 205 ASN n 1 206 GLU n 1 207 ASP n 1 208 ALA n 1 209 SER n 1 210 SER n 1 211 ARG n 1 212 PHE n 1 213 SER n 1 214 ASN n 1 215 ALA n 1 216 ASP n 1 217 TYR n 1 218 ALA n 1 219 VAL n 1 220 SER n 1 221 TYR n 1 222 MET n 1 223 LEU n 1 224 ARG n 1 225 LEU n 1 226 GLY n 1 227 ALA n 1 228 PRO n 1 229 ALA n 1 230 ASN n 1 231 LYS n 1 232 LEU n 1 233 VAL n 1 234 MET n 1 235 GLY n 1 236 ILE n 1 237 PRO n 1 238 THR n 1 239 PHE n 1 240 GLY n 1 241 ARG n 1 242 SER n 1 243 PHE n 1 244 THR n 1 245 LEU n 1 246 ALA n 1 247 SER n 1 248 SER n 1 249 LYS n 1 250 THR n 1 251 ASP n 1 252 VAL n 1 253 GLY n 1 254 ALA n 1 255 PRO n 1 256 VAL n 1 257 SER n 1 258 GLY n 1 259 PRO n 1 260 GLY n 1 261 ILE n 1 262 PRO n 1 263 GLY n 1 264 ARG n 1 265 PHE n 1 266 THR n 1 267 LYS n 1 268 GLU n 1 269 LYS n 1 270 GLY n 1 271 ILE n 1 272 LEU n 1 273 ALA n 1 274 TYR n 1 275 TYR n 1 276 GLU n 1 277 ILE n 1 278 CYS n 1 279 ASP n 1 280 PHE n 1 281 LEU n 1 282 HIS n 1 283 GLY n 1 284 ALA n 1 285 THR n 1 286 THR n 1 287 HIS n 1 288 ARG n 1 289 PHE n 1 290 ARG n 1 291 ASP n 1 292 GLN n 1 293 GLN n 1 294 VAL n 1 295 PRO n 1 296 TYR n 1 297 ALA n 1 298 THR n 1 299 LYS n 1 300 GLY n 1 301 ASN n 1 302 GLN n 1 303 TRP n 1 304 VAL n 1 305 ALA n 1 306 TYR n 1 307 ASP n 1 308 ASP n 1 309 GLN n 1 310 GLU n 1 311 SER n 1 312 VAL n 1 313 LYS n 1 314 ASN n 1 315 LYS n 1 316 ALA n 1 317 ARG n 1 318 TYR n 1 319 LEU n 1 320 LYS n 1 321 ASN n 1 322 ARG n 1 323 GLN n 1 324 LEU n 1 325 ALA n 1 326 GLY n 1 327 ALA n 1 328 MET n 1 329 VAL n 1 330 TRP n 1 331 ALA n 1 332 LEU n 1 333 ASP n 1 334 LEU n 1 335 ASP n 1 336 ASP n 1 337 PHE n 1 338 ARG n 1 339 GLY n 1 340 THR n 1 341 PHE n 1 342 CYS n 1 343 GLY n 1 344 GLN n 1 345 ASN n 1 346 LEU n 1 347 THR n 1 348 PHE n 1 349 PRO n 1 350 LEU n 1 351 THR n 1 352 SER n 1 353 ALA n 1 354 VAL n 1 355 LYS n 1 356 ASP n 1 357 VAL n 1 358 LEU n 1 359 ALA n 1 360 GLU n 1 361 ALA 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 sheep _entity_src_nat.pdbx_organism_scientific 'Ovis aries' _entity_src_nat.pdbx_ncbi_taxonomy_id 9940 _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 CH3L1_SHEEP _struct_ref.pdbx_db_accession Q6TMG6 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YKLICYYTSWSQYREGDGSCFPDAIDPFLCTHVIYSFANISNNEIDTWEWNDVTLYDTLNTLKNRNPKLKTLLSVGGWNF GPERFSAIASKTQSRRTFIKSVPPFLRTHGFDGLDLAWLYPGRRDKRHLTTLVKEMKAEFIREAQAGTEQLLLSAAVSAG KIAIDRGYDIAQISRHLDFISLLTYDFHGAWRQTVGHHSPLFAGNEDASSRFSNADYAVSYMLRLGAPANKLVMGIPTFG RSFTLASSKTDVGAPVSGPGVPGRFTKEKGILAYYEICDFLHGATTHRFRDQQVPYATKGNQWVAYDDQESVKNKARYLK NRQLAGAMVWALDLDDFRGTFCGQNLTFPLTSAVKDVLAEV ; _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2PI6 _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 361 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q6TMG6 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 361 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 362 # 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 2PI6 THR A 36 ? UNP Q6TMG6 SER 36 'SEE REMARK 999' 36 1 1 2PI6 LYS A 87 ? UNP Q6TMG6 ALA 87 'SEE REMARK 999' 87 2 1 2PI6 ARG A 203 ? UNP Q6TMG6 ALA 203 'SEE REMARK 999' 203 3 1 2PI6 ILE A 261 ? UNP Q6TMG6 VAL 261 'SEE REMARK 999' 262 4 1 2PI6 ALA A 361 ? UNP Q6TMG6 VAL 361 'SEE REMARK 999' 362 5 # 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EOH non-polymer . ETHANOL ? 'C2 H6 O' 46.068 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 MPD non-polymer . '(4S)-2-METHYL-2,4-PENTANEDIOL' ? 'C6 H14 O2' 118.174 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 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 # _exptl.entry_id 2PI6 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.62 _exptl_crystal.density_percent_sol 53.05 _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 7.8 _exptl_crystal_grow.pdbx_details 'Tri-HCl, 20% Ethanol, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'MAR scanner 345 mm plate' _diffrn_detector.pdbx_collection_date 2007-03-10 _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 ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.81 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'EMBL/DESY, HAMBURG BEAMLINE X13' _diffrn_source.pdbx_synchrotron_site 'EMBL/DESY, Hamburg' _diffrn_source.pdbx_synchrotron_beamline X13 _diffrn_source.pdbx_wavelength 0.81 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 2PI6 _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 1.65 _reflns.d_resolution_low 55.9 _reflns.number_all 52135 _reflns.number_obs 50988 _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _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 1.65 _reflns_shell.d_res_low 1.68 _reflns_shell.percent_possible_all 99.7 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _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.entry_id 2PI6 _refine.ls_number_reflns_obs 50988 _refine.ls_number_reflns_all 52135 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 55.90 _refine.ls_d_res_high 1.65 _refine.ls_percent_reflns_obs 99.90 _refine.ls_R_factor_obs 0.16839 _refine.ls_R_factor_all 0.18211 _refine.ls_R_factor_R_work 0.16746 _refine.ls_R_factor_R_free 0.21725 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 2.1 _refine.ls_number_reflns_R_free 1075 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.967 _refine.correlation_coeff_Fo_to_Fc_free 0.948 _refine.B_iso_mean 24.215 _refine.aniso_B[1][1] -0.06 _refine.aniso_B[2][2] -0.07 _refine.aniso_B[3][3] 0.14 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 2DPE _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 0.087 _refine.pdbx_overall_ESU_R_Free 0.096 _refine.overall_SU_ML 0.060 _refine.overall_SU_B 1.738 _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_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _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 2878 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 86 _refine_hist.number_atoms_solvent 586 _refine_hist.number_atoms_total 3550 _refine_hist.d_res_high 1.65 _refine_hist.d_res_low 55.90 # 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 0.013 0.021 ? 3072 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.507 1.963 ? 4190 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 4.880 3.000 ? 373 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 16.608 15.000 ? 500 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_chiral_restr 0.113 0.200 ? 461 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.020 ? 2320 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.230 0.300 ? 1563 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.134 0.500 ? 564 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.408 0.300 ? 41 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.269 0.500 ? 37 '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 0.907 1.500 ? 1815 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.665 2.000 ? 2933 'X-RAY DIFFRACTION' ? r_scbond_it 2.492 3.000 ? 1257 'X-RAY DIFFRACTION' ? r_scangle_it 4.049 4.500 ? 1256 '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_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.652 _refine_ls_shell.d_res_low 1.695 _refine_ls_shell.number_reflns_R_work 3687 _refine_ls_shell.R_factor_R_work 0.214 _refine_ls_shell.percent_reflns_obs ? _refine_ls_shell.R_factor_R_free 0.226 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 96 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2PI6 _struct.title ;Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40 ; _struct.pdbx_descriptor 'Chitinase-3-like protein 1' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2PI6 _struct_keywords.pdbx_keywords 'SIGNALING PROTEIN' _struct_keywords.text 'Complex, SIGNALING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 4 ? I N N 5 ? J N N 5 ? K N N 5 ? L N N 6 ? # _struct_biol.id 1 _struct_biol.details ? _struct_biol.pdbx_parent_biol_id ? # 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 TRP A 10 ? ARG A 14 ? TRP A 10 ARG A 14 5 ? 5 HELX_P HELX_P2 2 GLU A 15 ? SER A 19 ? GLU A 15 SER A 19 5 ? 5 HELX_P HELX_P3 3 PHE A 21 ? ILE A 25 ? PHE A 21 ILE A 25 5 ? 5 HELX_P HELX_P4 4 ASN A 51 ? ASN A 66 ? ASN A 51 ASN A 66 1 ? 16 HELX_P HELX_P5 5 GLY A 81 ? SER A 90 ? GLY A 81 SER A 90 1 ? 10 HELX_P HELX_P6 6 LYS A 91 ? GLY A 110 ? LYS A 91 GLY A 110 1 ? 20 HELX_P HELX_P7 7 GLY A 122 ? ARG A 124 ? GLY A 122 ARG A 124 5 ? 3 HELX_P HELX_P8 8 ASP A 125 ? GLN A 145 ? ASP A 125 GLN A 145 1 ? 21 HELX_P HELX_P9 9 GLY A 160 ? TYR A 168 ? GLY A 160 TYR A 168 1 ? 9 HELX_P HELX_P10 10 ASP A 169 ? LEU A 177 ? ASP A 169 LEU A 177 1 ? 9 HELX_P HELX_P11 11 ASN A 214 ? LEU A 225 ? ASN A 215 LEU A 226 1 ? 12 HELX_P HELX_P12 12 PRO A 228 ? ASN A 230 ? PRO A 229 ASN A 231 5 ? 3 HELX_P HELX_P13 13 TYR A 274 ? LEU A 281 ? TYR A 275 LEU A 282 1 ? 8 HELX_P HELX_P14 14 ASP A 308 ? ARG A 322 ? ASP A 309 ARG A 323 1 ? 15 HELX_P HELX_P15 15 ALA A 331 ? ASP A 335 ? ALA A 332 ASP A 336 5 ? 5 HELX_P HELX_P16 16 PHE A 348 ? GLU A 360 ? PHE A 349 GLU A 361 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 5 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 5 A CYS 30 1_555 ? ? ? ? ? ? ? 2.041 ? disulf2 disulf ? ? A CYS 278 SG ? ? ? 1_555 A CYS 342 SG ? ? A CYS 279 A CYS 343 1_555 ? ? ? ? ? ? ? 2.039 ? covale1 covale ? ? B NAG . C1 ? ? ? 1_555 A ASN 39 ND2 ? ? A NAG 363 A ASN 39 1_555 ? ? ? ? ? ? ? 1.464 ? covale2 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 363 A NAG 364 1_555 ? ? ? ? ? ? ? 1.444 ? covale3 covale ? ? C NAG . O4 ? ? ? 1_555 D MAN . C1 ? ? A NAG 364 A MAN 365 1_555 ? ? ? ? ? ? ? 1.445 ? covale4 covale ? ? D MAN . O4 ? ? ? 1_555 F MAN . C1 ? ? A MAN 365 A MAN 367 1_555 ? ? ? ? ? ? ? 1.454 ? covale5 covale ? ? D MAN . O6 ? ? ? 1_555 E MAN . C1 ? ? A MAN 365 A MAN 366 1_555 ? ? ? ? ? ? ? 1.447 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 THR 36 A . ? THR 36 A PHE 37 A ? PHE 37 A 1 -2.80 2 LEU 119 A . ? LEU 119 A TYR 120 A ? TYR 120 A 1 2.57 3 TRP 330 A . ? TRP 331 A ALA 331 A ? ALA 332 A 1 1.97 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 10 ? B ? 3 ? C ? 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 ? anti-parallel A 2 3 ? parallel A 3 4 ? parallel A 4 5 ? parallel A 5 6 ? parallel A 6 7 ? parallel A 7 8 ? parallel A 8 9 ? parallel A 9 10 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 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 GLU A 44 ? ASP A 46 ? GLU A 44 ASP A 46 A 2 HIS A 32 ? SER A 41 ? HIS A 32 SER A 41 A 3 LYS A 70 ? GLY A 76 ? LYS A 70 GLY A 76 A 4 GLY A 113 ? ALA A 117 ? GLY A 113 ALA A 117 A 5 LEU A 152 ? VAL A 157 ? LEU A 152 VAL A 157 A 6 PHE A 179 ? LEU A 182 ? PHE A 179 LEU A 182 A 7 LEU A 232 ? PRO A 237 ? LEU A 233 PRO A 238 A 8 GLY A 326 ? TRP A 330 ? GLY A 327 TRP A 331 A 9 LYS A 2 ? THR A 8 ? LYS A 2 THR A 8 A 10 HIS A 32 ? SER A 41 ? HIS A 32 SER A 41 B 1 VAL A 256 ? PRO A 259 ? VAL A 257 PRO A 260 B 2 PHE A 239 ? LEU A 245 ? PHE A 240 LEU A 246 B 3 ILE A 271 ? ALA A 273 ? ILE A 272 ALA A 274 C 1 VAL A 256 ? PRO A 259 ? VAL A 257 PRO A 260 C 2 PHE A 239 ? LEU A 245 ? PHE A 240 LEU A 246 C 3 GLN A 302 ? ALA A 305 ? GLN A 303 ALA A 306 C 4 VAL A 294 ? LYS A 299 ? VAL A 295 LYS A 300 C 5 THR A 285 ? PHE A 289 ? THR A 286 PHE A 290 # 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 O GLU A 44 ? O GLU A 44 N SER A 41 ? N SER A 41 A 2 3 N TYR A 35 ? N TYR A 35 O SER A 74 ? O SER A 74 A 3 4 N VAL A 75 ? N VAL A 75 O ALA A 117 ? O ALA A 117 A 4 5 N LEU A 116 ? N LEU A 116 O SER A 154 ? O SER A 154 A 5 6 N ALA A 155 ? N ALA A 155 O SER A 181 ? O SER A 181 A 6 7 N LEU A 182 ? N LEU A 182 O VAL A 233 ? O VAL A 234 A 7 8 N ILE A 236 ? N ILE A 237 O MET A 328 ? O MET A 329 A 8 9 O ALA A 327 ? O ALA A 328 N ILE A 4 ? N ILE A 4 A 9 10 N TYR A 7 ? N TYR A 7 O ILE A 34 ? O ILE A 34 B 1 2 O GLY A 258 ? O GLY A 259 N THR A 244 ? N THR A 245 B 2 3 N GLY A 240 ? N GLY A 241 O LEU A 272 ? O LEU A 273 C 1 2 O GLY A 258 ? O GLY A 259 N THR A 244 ? N THR A 245 C 2 3 N ARG A 241 ? N ARG A 242 O ALA A 305 ? O ALA A 306 C 3 4 O VAL A 304 ? O VAL A 305 N ALA A 297 ? N ALA A 298 C 4 5 O THR A 298 ? O THR A 299 N THR A 285 ? N THR A 286 # 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 ? ? ? ? 10 'BINDING SITE FOR RESIDUE NAG A 363' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 364' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 365' AC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 366' AC5 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 367' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MPD A 1001' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MPD A 1002' AC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EOH A 3012' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE EOH A 3013' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EOH A 3014' # 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 10 ASN A 39 ? ASN A 39 . ? 1_555 ? 2 AC1 10 ILE A 40 ? ILE A 40 . ? 1_555 ? 3 AC1 10 SER A 41 ? SER A 41 . ? 1_555 ? 4 AC1 10 TRP A 48 ? TRP A 48 . ? 1_555 ? 5 AC1 10 ARG A 84 ? ARG A 84 . ? 1_555 ? 6 AC1 10 NAG C . ? NAG A 364 . ? 1_555 ? 7 AC1 10 HOH L . ? HOH A 3205 . ? 1_555 ? 8 AC1 10 HOH L . ? HOH A 3481 . ? 1_555 ? 9 AC1 10 HOH L . ? HOH A 3541 . ? 1_555 ? 10 AC1 10 HOH L . ? HOH A 3562 . ? 1_555 ? 11 AC2 3 NAG B . ? NAG A 363 . ? 1_555 ? 12 AC2 3 MAN D . ? MAN A 365 . ? 1_555 ? 13 AC2 3 HOH L . ? HOH A 3541 . ? 1_555 ? 14 AC3 4 NAG C . ? NAG A 364 . ? 1_555 ? 15 AC3 4 MAN E . ? MAN A 366 . ? 1_555 ? 16 AC3 4 MAN F . ? MAN A 367 . ? 1_555 ? 17 AC3 4 HOH L . ? HOH A 3384 . ? 1_555 ? 18 AC4 1 MAN D . ? MAN A 365 . ? 1_555 ? 19 AC5 1 MAN D . ? MAN A 365 . ? 1_555 ? 20 AC6 3 TYR A 185 ? TYR A 185 . ? 1_555 ? 21 AC6 3 TRP A 330 ? TRP A 331 . ? 1_555 ? 22 AC6 3 HOH L . ? HOH A 3180 . ? 1_555 ? 23 AC7 5 TRP A 10 ? TRP A 10 . ? 1_555 ? 24 AC7 5 ARG A 14 ? ARG A 14 . ? 1_555 ? 25 AC7 5 TRP A 330 ? TRP A 331 . ? 1_555 ? 26 AC7 5 HOH L . ? HOH A 3025 . ? 1_555 ? 27 AC7 5 HOH L . ? HOH A 3369 . ? 1_555 ? 28 AC8 4 LYS A 70 ? LYS A 70 . ? 1_555 ? 29 AC8 4 GLU A 149 ? GLU A 149 . ? 1_555 ? 30 AC8 4 HOH L . ? HOH A 3039 . ? 1_555 ? 31 AC8 4 HOH L . ? HOH A 3089 . ? 1_555 ? 32 AC9 6 CYS A 30 ? CYS A 30 . ? 1_555 ? 33 AC9 6 THR A 31 ? THR A 31 . ? 1_555 ? 34 AC9 6 ASN A 66 ? ASN A 66 . ? 1_555 ? 35 AC9 6 LYS A 68 ? LYS A 68 . ? 1_555 ? 36 AC9 6 HOH L . ? HOH A 3104 . ? 1_555 ? 37 AC9 6 HOH L . ? HOH A 3443 . ? 1_555 ? 38 BC1 4 HOH L . ? HOH A 3073 . ? 4_545 ? 39 BC1 4 HOH L . ? HOH A 3259 . ? 1_555 ? 40 BC1 4 HOH L . ? HOH A 3443 . ? 1_555 ? 41 BC1 4 HOH L . ? HOH A 3571 . ? 4_545 ? # _database_PDB_matrix.entry_id 2PI6 _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 2PI6 _atom_sites.fract_transf_matrix[1][1] 0.016428 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.015057 _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] 0.009461 _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 N O S # 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 ? -15.646 -15.459 -4.440 1.00 22.63 ? 1 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? -16.533 -14.637 -3.545 1.00 20.40 ? 1 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? -15.797 -13.404 -3.075 1.00 20.20 ? 1 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? -14.574 -13.400 -2.991 1.00 22.59 ? 1 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? -17.004 -15.436 -2.325 1.00 20.11 ? 1 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? -17.936 -16.589 -2.700 1.00 18.57 ? 1 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? -17.453 -17.890 -2.758 1.00 18.72 ? 1 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? -19.260 -16.355 -3.072 1.00 18.87 ? 1 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? -18.268 -18.946 -3.129 1.00 19.11 ? 1 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? -20.091 -17.420 -3.456 1.00 20.56 ? 1 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? -19.574 -18.700 -3.496 1.00 21.01 ? 1 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? -20.420 -19.746 -3.861 1.00 24.63 ? 1 TYR A OH 1 ATOM 13 N N . LYS A 1 2 ? -16.549 -12.346 -2.804 1.00 17.45 ? 2 LYS A N 1 ATOM 14 C CA . LYS A 1 2 ? -15.976 -11.147 -2.209 1.00 16.28 ? 2 LYS A CA 1 ATOM 15 C C . LYS A 1 2 ? -16.151 -11.232 -0.694 1.00 15.22 ? 2 LYS A C 1 ATOM 16 O O . LYS A 1 2 ? -17.120 -11.807 -0.208 1.00 14.58 ? 2 LYS A O 1 ATOM 17 C CB . LYS A 1 2 ? -16.722 -9.923 -2.724 1.00 16.58 ? 2 LYS A CB 1 ATOM 18 C CG . LYS A 1 2 ? -16.439 -9.596 -4.191 1.00 17.50 ? 2 LYS A CG 1 ATOM 19 C CD . LYS A 1 2 ? -17.212 -8.328 -4.579 1.00 20.54 ? 2 LYS A CD 1 ATOM 20 C CE . LYS A 1 2 ? -16.980 -7.883 -6.042 1.00 21.92 ? 2 LYS A CE 1 ATOM 21 N NZ . LYS A 1 2 ? -17.423 -8.941 -6.999 1.00 22.73 ? 2 LYS A NZ 1 ATOM 22 N N . LEU A 1 3 ? -15.195 -10.681 0.035 1.00 13.89 ? 3 LEU A N 1 ATOM 23 C CA . LEU A 1 3 ? -15.312 -10.526 1.476 1.00 11.84 ? 3 LEU A CA 1 ATOM 24 C C . LEU A 1 3 ? -14.956 -9.049 1.713 1.00 11.94 ? 3 LEU A C 1 ATOM 25 O O . LEU A 1 3 ? -13.821 -8.648 1.690 1.00 12.66 ? 3 LEU A O 1 ATOM 26 C CB . LEU A 1 3 ? -14.382 -11.489 2.237 1.00 11.79 ? 3 LEU A CB 1 ATOM 27 C CG . LEU A 1 3 ? -14.422 -11.326 3.766 1.00 11.41 ? 3 LEU A CG 1 ATOM 28 C CD1 . LEU A 1 3 ? -15.863 -11.212 4.313 1.00 14.14 ? 3 LEU A CD1 1 ATOM 29 C CD2 . LEU A 1 3 ? -13.640 -12.433 4.501 1.00 13.36 ? 3 LEU A CD2 1 ATOM 30 N N . ILE A 1 4 ? -16.016 -8.252 1.879 1.00 11.97 ? 4 ILE A N 1 ATOM 31 C CA . ILE A 1 4 ? -15.928 -6.798 2.003 1.00 12.62 ? 4 ILE A CA 1 ATOM 32 C C . ILE A 1 4 ? -15.935 -6.459 3.468 1.00 12.54 ? 4 ILE A C 1 ATOM 33 O O . ILE A 1 4 ? -16.828 -6.870 4.184 1.00 12.82 ? 4 ILE A O 1 ATOM 34 C CB . ILE A 1 4 ? -17.204 -6.167 1.395 1.00 13.32 ? 4 ILE A CB 1 ATOM 35 C CG1 . ILE A 1 4 ? -17.474 -6.710 -0.011 1.00 16.65 ? 4 ILE A CG1 1 ATOM 36 C CG2 . ILE A 1 4 ? -17.127 -4.646 1.445 1.00 12.79 ? 4 ILE A CG2 1 ATOM 37 C CD1 . ILE A 1 4 ? -16.385 -6.487 -0.932 1.00 17.80 ? 4 ILE A CD1 1 ATOM 38 N N . CYS A 1 5 ? -14.936 -5.721 3.935 1.00 11.66 ? 5 CYS A N 1 ATOM 39 C CA . CYS A 1 5 ? -14.819 -5.460 5.358 1.00 11.38 ? 5 CYS A CA 1 ATOM 40 C C . CYS A 1 5 ? -14.648 -3.986 5.669 1.00 11.60 ? 5 CYS A C 1 ATOM 41 O O . CYS A 1 5 ? -13.745 -3.348 5.129 1.00 11.93 ? 5 CYS A O 1 ATOM 42 C CB . CYS A 1 5 ? -13.595 -6.188 5.922 1.00 11.81 ? 5 CYS A CB 1 ATOM 43 S SG . CYS A 1 5 ? -13.625 -7.982 5.608 1.00 13.56 ? 5 CYS A SG 1 ATOM 44 N N . TYR A 1 6 ? -15.487 -3.457 6.556 1.00 12.22 ? 6 TYR A N 1 ATOM 45 C CA . TYR A 1 6 ? -15.352 -2.054 6.942 1.00 12.76 ? 6 TYR A CA 1 ATOM 46 C C . TYR A 1 6 ? -14.393 -1.856 8.089 1.00 12.65 ? 6 TYR A C 1 ATOM 47 O O . TYR A 1 6 ? -14.297 -2.694 9.006 1.00 13.98 ? 6 TYR A O 1 ATOM 48 C CB . TYR A 1 6 ? -16.709 -1.459 7.380 1.00 12.51 ? 6 TYR A CB 1 ATOM 49 C CG . TYR A 1 6 ? -17.647 -1.160 6.239 1.00 12.53 ? 6 TYR A CG 1 ATOM 50 C CD1 . TYR A 1 6 ? -18.509 -2.141 5.731 1.00 12.78 ? 6 TYR A CD1 1 ATOM 51 C CD2 . TYR A 1 6 ? -17.714 0.119 5.702 1.00 13.66 ? 6 TYR A CD2 1 ATOM 52 C CE1 . TYR A 1 6 ? -19.377 -1.841 4.678 1.00 14.55 ? 6 TYR A CE1 1 ATOM 53 C CE2 . TYR A 1 6 ? -18.586 0.423 4.664 1.00 12.38 ? 6 TYR A CE2 1 ATOM 54 C CZ . TYR A 1 6 ? -19.408 -0.553 4.164 1.00 14.11 ? 6 TYR A CZ 1 ATOM 55 O OH . TYR A 1 6 ? -20.259 -0.246 3.128 1.00 15.08 ? 6 TYR A OH 1 ATOM 56 N N . TYR A 1 7 ? -13.658 -0.740 8.023 1.00 12.03 ? 7 TYR A N 1 ATOM 57 C CA . TYR A 1 7 ? -12.838 -0.292 9.154 1.00 12.88 ? 7 TYR A CA 1 ATOM 58 C C . TYR A 1 7 ? -13.362 1.100 9.475 1.00 12.84 ? 7 TYR A C 1 ATOM 59 O O . TYR A 1 7 ? -13.571 1.880 8.541 1.00 13.03 ? 7 TYR A O 1 ATOM 60 C CB . TYR A 1 7 ? -11.344 -0.203 8.778 1.00 12.71 ? 7 TYR A CB 1 ATOM 61 C CG . TYR A 1 7 ? -10.565 0.624 9.768 1.00 13.43 ? 7 TYR A CG 1 ATOM 62 C CD1 . TYR A 1 7 ? -10.192 0.082 10.999 1.00 16.03 ? 7 TYR A CD1 1 ATOM 63 C CD2 . TYR A 1 7 ? -10.299 1.971 9.528 1.00 15.71 ? 7 TYR A CD2 1 ATOM 64 C CE1 . TYR A 1 7 ? -9.528 0.843 11.944 1.00 15.61 ? 7 TYR A CE1 1 ATOM 65 C CE2 . TYR A 1 7 ? -9.634 2.721 10.462 1.00 15.13 ? 7 TYR A CE2 1 ATOM 66 C CZ . TYR A 1 7 ? -9.254 2.151 11.668 1.00 16.43 ? 7 TYR A CZ 1 ATOM 67 O OH . TYR A 1 7 ? -8.608 2.938 12.600 1.00 18.32 ? 7 TYR A OH 1 ATOM 68 N N . THR A 1 8 ? -13.565 1.412 10.762 1.00 12.19 ? 8 THR A N 1 ATOM 69 C CA . THR A 1 8 ? -14.124 2.746 11.120 1.00 12.74 ? 8 THR A CA 1 ATOM 70 C C . THR A 1 8 ? -13.060 3.643 11.729 1.00 12.98 ? 8 THR A C 1 ATOM 71 O O . THR A 1 8 ? -12.324 3.221 12.622 1.00 14.41 ? 8 THR A O 1 ATOM 72 C CB . THR A 1 8 ? -15.340 2.614 12.069 1.00 13.02 ? 8 THR A CB 1 ATOM 73 O OG1 . THR A 1 8 ? -14.949 2.034 13.331 1.00 14.06 ? 8 THR A OG1 1 ATOM 74 C CG2 . THR A 1 8 ? -16.373 1.632 11.446 1.00 13.50 ? 8 THR A CG2 1 ATOM 75 N N . SER A 1 9 ? -12.998 4.871 11.224 1.00 14.58 ? 9 SER A N 1 ATOM 76 C CA . SER A 1 9 ? -11.935 5.801 11.606 1.00 16.55 ? 9 SER A CA 1 ATOM 77 C C . SER A 1 9 ? -11.983 6.205 13.061 1.00 17.07 ? 9 SER A C 1 ATOM 78 O O . SER A 1 9 ? -10.961 6.611 13.607 1.00 19.26 ? 9 SER A O 1 ATOM 79 C CB . SER A 1 9 ? -11.985 7.038 10.724 1.00 16.38 ? 9 SER A CB 1 ATOM 80 O OG . SER A 1 9 ? -13.131 7.778 10.993 1.00 18.20 ? 9 SER A OG 1 ATOM 81 N N . TRP A 1 10 ? -13.138 6.076 13.701 1.00 16.06 ? 10 TRP A N 1 ATOM 82 C CA . TRP A 1 10 ? -13.246 6.500 15.090 1.00 15.55 ? 10 TRP A CA 1 ATOM 83 C C . TRP A 1 10 ? -12.817 5.426 16.081 1.00 15.46 ? 10 TRP A C 1 ATOM 84 O O . TRP A 1 10 ? -12.704 5.680 17.291 1.00 16.15 ? 10 TRP A O 1 ATOM 85 C CB . TRP A 1 10 ? -14.654 6.987 15.388 1.00 16.74 ? 10 TRP A CB 1 ATOM 86 C CG . TRP A 1 10 ? -15.702 5.975 15.159 1.00 15.93 ? 10 TRP A CG 1 ATOM 87 C CD1 . TRP A 1 10 ? -16.253 5.162 16.087 1.00 15.69 ? 10 TRP A CD1 1 ATOM 88 C CD2 . TRP A 1 10 ? -16.391 5.698 13.922 1.00 15.12 ? 10 TRP A CD2 1 ATOM 89 N NE1 . TRP A 1 10 ? -17.216 4.362 15.516 1.00 16.58 ? 10 TRP A NE1 1 ATOM 90 C CE2 . TRP A 1 10 ? -17.335 4.689 14.192 1.00 15.20 ? 10 TRP A CE2 1 ATOM 91 C CE3 . TRP A 1 10 ? -16.311 6.218 12.616 1.00 15.16 ? 10 TRP A CE3 1 ATOM 92 C CZ2 . TRP A 1 10 ? -18.181 4.156 13.211 1.00 15.84 ? 10 TRP A CZ2 1 ATOM 93 C CZ3 . TRP A 1 10 ? -17.156 5.694 11.638 1.00 15.77 ? 10 TRP A CZ3 1 ATOM 94 C CH2 . TRP A 1 10 ? -18.083 4.678 11.947 1.00 15.93 ? 10 TRP A CH2 1 ATOM 95 N N . SER A 1 11 ? -12.595 4.217 15.576 1.00 15.03 ? 11 SER A N 1 ATOM 96 C CA . SER A 1 11 ? -12.131 3.141 16.464 1.00 15.18 ? 11 SER A CA 1 ATOM 97 C C . SER A 1 11 ? -10.731 3.381 17.027 1.00 16.02 ? 11 SER A C 1 ATOM 98 O O . SER A 1 11 ? -10.353 2.792 18.029 1.00 16.58 ? 11 SER A O 1 ATOM 99 C CB . SER A 1 11 ? -12.207 1.779 15.767 1.00 15.04 ? 11 SER A CB 1 ATOM 100 O OG . SER A 1 11 ? -11.311 1.651 14.660 1.00 14.91 ? 11 SER A OG 1 ATOM 101 N N . GLN A 1 12 ? -9.951 4.212 16.354 1.00 16.60 ? 12 GLN A N 1 ATOM 102 C CA . GLN A 1 12 ? -8.607 4.541 16.851 1.00 17.22 ? 12 GLN A CA 1 ATOM 103 C C . GLN A 1 12 ? -8.642 5.138 18.258 1.00 18.10 ? 12 GLN A C 1 ATOM 104 O O . GLN A 1 12 ? -7.654 5.014 18.993 1.00 18.76 ? 12 GLN A O 1 ATOM 105 C CB . GLN A 1 12 ? -7.939 5.569 15.926 1.00 17.29 ? 12 GLN A CB 1 ATOM 106 C CG . GLN A 1 12 ? -8.668 6.891 15.876 1.00 16.50 ? 12 GLN A CG 1 ATOM 107 C CD . GLN A 1 12 ? -7.929 7.911 15.042 1.00 19.47 ? 12 GLN A CD 1 ATOM 108 O OE1 . GLN A 1 12 ? -6.795 8.254 15.366 1.00 20.61 ? 12 GLN A OE1 1 ATOM 109 N NE2 . GLN A 1 12 ? -8.560 8.393 13.973 1.00 16.99 ? 12 GLN A NE2 1 ATOM 110 N N . TYR A 1 13 ? -9.761 5.755 18.635 1.00 18.15 ? 13 TYR A N 1 ATOM 111 C CA . TYR A 1 13 ? -9.828 6.519 19.905 1.00 19.32 ? 13 TYR A CA 1 ATOM 112 C C . TYR A 1 13 ? -10.214 5.700 21.115 1.00 19.44 ? 13 TYR A C 1 ATOM 113 O O . TYR A 1 13 ? -10.175 6.182 22.271 1.00 20.08 ? 13 TYR A O 1 ATOM 114 C CB . TYR A 1 13 ? -10.808 7.689 19.779 1.00 19.70 ? 13 TYR A CB 1 ATOM 115 C CG . TYR A 1 13 ? -10.476 8.672 18.665 1.00 21.16 ? 13 TYR A CG 1 ATOM 116 C CD1 . TYR A 1 13 ? -9.271 9.376 18.671 1.00 24.07 ? 13 TYR A CD1 1 ATOM 117 C CD2 . TYR A 1 13 ? -11.364 8.897 17.615 1.00 21.20 ? 13 TYR A CD2 1 ATOM 118 C CE1 . TYR A 1 13 ? -8.959 10.261 17.657 1.00 25.08 ? 13 TYR A CE1 1 ATOM 119 C CE2 . TYR A 1 13 ? -11.058 9.786 16.604 1.00 22.93 ? 13 TYR A CE2 1 ATOM 120 C CZ . TYR A 1 13 ? -9.850 10.475 16.642 1.00 25.30 ? 13 TYR A CZ 1 ATOM 121 O OH . TYR A 1 13 ? -9.552 11.368 15.632 1.00 27.03 ? 13 TYR A OH 1 ATOM 122 N N . ARG A 1 14 ? -10.608 4.463 20.883 1.00 18.65 ? 14 ARG A N 1 ATOM 123 C CA . ARG A 1 14 ? -11.043 3.644 22.000 1.00 19.09 ? 14 ARG A CA 1 ATOM 124 C C . ARG A 1 14 ? -9.915 3.418 22.991 1.00 19.54 ? 14 ARG A C 1 ATOM 125 O O . ARG A 1 14 ? -8.742 3.397 22.625 1.00 20.22 ? 14 ARG A O 1 ATOM 126 C CB . ARG A 1 14 ? -11.622 2.335 21.484 1.00 18.02 ? 14 ARG A CB 1 ATOM 127 C CG . ARG A 1 14 ? -12.971 2.584 20.807 1.00 17.27 ? 14 ARG A CG 1 ATOM 128 C CD . ARG A 1 14 ? -13.582 1.343 20.177 1.00 15.82 ? 14 ARG A CD 1 ATOM 129 N NE . ARG A 1 14 ? -14.793 1.717 19.433 1.00 17.81 ? 14 ARG A NE 1 ATOM 130 C CZ . ARG A 1 14 ? -15.162 1.162 18.271 1.00 16.96 ? 14 ARG A CZ 1 ATOM 131 N NH1 . ARG A 1 14 ? -14.437 0.191 17.728 1.00 14.83 ? 14 ARG A NH1 1 ATOM 132 N NH2 . ARG A 1 14 ? -16.258 1.595 17.659 1.00 17.77 ? 14 ARG A NH2 1 ATOM 133 N N . GLU A 1 15 ? -10.304 3.332 24.257 1.00 20.69 ? 15 GLU A N 1 ATOM 134 C CA . GLU A 1 15 ? -9.393 3.134 25.368 1.00 22.29 ? 15 GLU A CA 1 ATOM 135 C C . GLU A 1 15 ? -8.641 1.805 25.291 1.00 22.11 ? 15 GLU A C 1 ATOM 136 O O . GLU A 1 15 ? -9.214 0.764 24.938 1.00 21.12 ? 15 GLU A O 1 ATOM 137 C CB . GLU A 1 15 ? -10.186 3.223 26.675 1.00 24.00 ? 15 GLU A CB 1 ATOM 138 C CG . GLU A 1 15 ? -9.312 3.316 27.920 1.00 29.47 ? 15 GLU A CG 1 ATOM 139 C CD . GLU A 1 15 ? -10.109 3.676 29.174 1.00 35.68 ? 15 GLU A CD 1 ATOM 140 O OE1 . GLU A 1 15 ? -11.344 3.863 29.078 1.00 36.50 ? 15 GLU A OE1 1 ATOM 141 O OE2 . GLU A 1 15 ? -9.490 3.760 30.266 1.00 39.30 ? 15 GLU A OE2 1 ATOM 142 N N . GLY A 1 16 ? -7.351 1.842 25.611 1.00 22.15 ? 16 GLY A N 1 ATOM 143 C CA . GLY A 1 16 ? -6.519 0.651 25.667 1.00 22.86 ? 16 GLY A CA 1 ATOM 144 C C . GLY A 1 16 ? -6.646 -0.313 24.500 1.00 22.94 ? 16 GLY A C 1 ATOM 145 O O . GLY A 1 16 ? -6.499 0.096 23.341 1.00 23.02 ? 16 GLY A O 1 ATOM 146 N N . ASP A 1 17 ? -6.916 -1.587 24.809 1.00 22.79 ? 17 ASP A N 1 ATOM 147 C CA . ASP A 1 17 ? -7.047 -2.620 23.793 1.00 23.04 ? 17 ASP A CA 1 ATOM 148 C C . ASP A 1 17 ? -8.183 -2.376 22.780 1.00 21.50 ? 17 ASP A C 1 ATOM 149 O O . ASP A 1 17 ? -8.219 -3.014 21.726 1.00 21.21 ? 17 ASP A O 1 ATOM 150 C CB . ASP A 1 17 ? -7.188 -4.002 24.444 1.00 24.70 ? 17 ASP A CB 1 ATOM 151 C CG . ASP A 1 17 ? -5.855 -4.577 24.889 1.00 26.91 ? 17 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 17 ? -4.811 -3.929 24.645 1.00 29.84 ? 17 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 17 ? -5.762 -5.680 25.479 1.00 30.90 ? 17 ASP A OD2 1 ATOM 154 N N . GLY A 1 18 ? -9.104 -1.487 23.097 1.00 19.76 ? 18 GLY A N 1 ATOM 155 C CA . GLY A 1 18 ? -10.167 -1.142 22.152 1.00 19.07 ? 18 GLY A CA 1 ATOM 156 C C . GLY A 1 18 ? -9.619 -0.372 20.953 1.00 18.31 ? 18 GLY A C 1 ATOM 157 O O . GLY A 1 18 ? -10.196 -0.411 19.853 1.00 17.37 ? 18 GLY A O 1 ATOM 158 N N . SER A 1 19 ? -8.521 0.353 21.164 1.00 17.34 ? 19 SER A N 1 ATOM 159 C CA . SER A 1 19 ? -7.943 1.165 20.084 1.00 16.74 ? 19 SER A CA 1 ATOM 160 C C . SER A 1 19 ? -7.552 0.321 18.883 1.00 16.27 ? 19 SER A C 1 ATOM 161 O O . SER A 1 19 ? -6.848 -0.682 19.018 1.00 15.84 ? 19 SER A O 1 ATOM 162 C CB . SER A 1 19 ? -6.730 1.936 20.614 1.00 17.25 ? 19 SER A CB 1 ATOM 163 O OG . SER A 1 19 ? -6.104 2.602 19.537 1.00 19.78 ? 19 SER A OG 1 ATOM 164 N N . CYS A 1 20 ? -8.031 0.717 17.703 1.00 15.88 ? 20 CYS A N 1 ATOM 165 C CA . CYS A 1 20 ? -7.771 -0.017 16.452 1.00 15.75 ? 20 CYS A CA 1 ATOM 166 C C . CYS A 1 20 ? -7.327 0.928 15.327 1.00 15.20 ? 20 CYS A C 1 ATOM 167 O O . CYS A 1 20 ? -8.057 1.863 14.992 1.00 15.78 ? 20 CYS A O 1 ATOM 168 C CB . CYS A 1 20 ? -9.062 -0.744 16.019 1.00 15.61 ? 20 CYS A CB 1 ATOM 169 S SG . CYS A 1 20 ? -8.842 -1.878 14.641 1.00 16.27 ? 20 CYS A SG 1 ATOM 170 N N . PHE A 1 21 ? -6.127 0.703 14.784 1.00 15.37 ? 21 PHE A N 1 ATOM 171 C CA . PHE A 1 21 ? -5.582 1.446 13.658 1.00 15.78 ? 21 PHE A CA 1 ATOM 172 C C . PHE A 1 21 ? -5.499 0.463 12.488 1.00 15.68 ? 21 PHE A C 1 ATOM 173 O O . PHE A 1 21 ? -5.510 -0.763 12.689 1.00 15.48 ? 21 PHE A O 1 ATOM 174 C CB . PHE A 1 21 ? -4.176 2.010 14.020 1.00 16.02 ? 21 PHE A CB 1 ATOM 175 C CG . PHE A 1 21 ? -4.229 3.237 14.909 1.00 16.65 ? 21 PHE A CG 1 ATOM 176 C CD1 . PHE A 1 21 ? -4.380 3.110 16.288 1.00 18.97 ? 21 PHE A CD1 1 ATOM 177 C CD2 . PHE A 1 21 ? -4.101 4.506 14.371 1.00 19.89 ? 21 PHE A CD2 1 ATOM 178 C CE1 . PHE A 1 21 ? -4.441 4.232 17.103 1.00 20.28 ? 21 PHE A CE1 1 ATOM 179 C CE2 . PHE A 1 21 ? -4.143 5.620 15.177 1.00 17.44 ? 21 PHE A CE2 1 ATOM 180 C CZ . PHE A 1 21 ? -4.318 5.494 16.553 1.00 17.36 ? 21 PHE A CZ 1 ATOM 181 N N . PRO A 1 22 ? -5.460 0.959 11.253 1.00 15.16 ? 22 PRO A N 1 ATOM 182 C CA . PRO A 1 22 ? -5.498 0.065 10.087 1.00 14.79 ? 22 PRO A CA 1 ATOM 183 C C . PRO A 1 22 ? -4.384 -0.968 9.988 1.00 15.15 ? 22 PRO A C 1 ATOM 184 O O . PRO A 1 22 ? -4.608 -1.978 9.331 1.00 15.24 ? 22 PRO A O 1 ATOM 185 C CB . PRO A 1 22 ? -5.453 1.015 8.885 1.00 14.96 ? 22 PRO A CB 1 ATOM 186 C CG . PRO A 1 22 ? -6.034 2.306 9.442 1.00 15.22 ? 22 PRO A CG 1 ATOM 187 C CD . PRO A 1 22 ? -5.478 2.386 10.874 1.00 15.20 ? 22 PRO A CD 1 ATOM 188 N N . ASP A 1 23 ? -3.250 -0.740 10.641 1.00 15.89 ? 23 ASP A N 1 ATOM 189 C CA . ASP A 1 23 ? -2.215 -1.756 10.605 1.00 16.84 ? 23 ASP A CA 1 ATOM 190 C C . ASP A 1 23 ? -2.540 -2.981 11.468 1.00 16.41 ? 23 ASP A C 1 ATOM 191 O O . ASP A 1 23 ? -1.800 -3.961 11.457 1.00 17.15 ? 23 ASP A O 1 ATOM 192 C CB . ASP A 1 23 ? -0.827 -1.182 10.881 1.00 18.48 ? 23 ASP A CB 1 ATOM 193 C CG . ASP A 1 23 ? -0.737 -0.454 12.182 1.00 21.60 ? 23 ASP A CG 1 ATOM 194 O OD1 . ASP A 1 23 ? 0.403 -0.383 12.733 1.00 29.22 ? 23 ASP A OD1 1 ATOM 195 O OD2 . ASP A 1 23 ? -1.690 0.095 12.744 1.00 22.12 ? 23 ASP A OD2 1 ATOM 196 N N . ALA A 1 24 ? -3.656 -2.938 12.182 1.00 16.33 ? 24 ALA A N 1 ATOM 197 C CA . ALA A 1 24 ? -4.126 -4.130 12.897 1.00 15.36 ? 24 ALA A CA 1 ATOM 198 C C . ALA A 1 24 ? -4.820 -5.065 11.911 1.00 15.80 ? 24 ALA A C 1 ATOM 199 O O . ALA A 1 24 ? -5.127 -6.212 12.251 1.00 15.80 ? 24 ALA A O 1 ATOM 200 C CB . ALA A 1 24 ? -5.116 -3.748 13.964 1.00 15.56 ? 24 ALA A CB 1 ATOM 201 N N . ILE A 1 25 ? -5.084 -4.587 10.700 1.00 14.67 ? 25 ILE A N 1 ATOM 202 C CA . ILE A 1 25 ? -5.822 -5.421 9.757 1.00 14.24 ? 25 ILE A CA 1 ATOM 203 C C . ILE A 1 25 ? -4.906 -6.415 9.033 1.00 14.67 ? 25 ILE A C 1 ATOM 204 O O . ILE A 1 25 ? -3.882 -6.030 8.482 1.00 15.42 ? 25 ILE A O 1 ATOM 205 C CB . ILE A 1 25 ? -6.566 -4.558 8.725 1.00 13.77 ? 25 ILE A CB 1 ATOM 206 C CG1 . ILE A 1 25 ? -7.507 -3.582 9.425 1.00 13.90 ? 25 ILE A CG1 1 ATOM 207 C CG2 . ILE A 1 25 ? -7.337 -5.463 7.712 1.00 15.91 ? 25 ILE A CG2 1 ATOM 208 C CD1 . ILE A 1 25 ? -8.068 -2.483 8.512 1.00 14.71 ? 25 ILE A CD1 1 ATOM 209 N N . ASP A 1 26 ? -5.277 -7.696 9.046 1.00 14.65 ? 26 ASP A N 1 ATOM 210 C CA . ASP A 1 26 ? -4.558 -8.726 8.303 1.00 15.38 ? 26 ASP A CA 1 ATOM 211 C C . ASP A 1 26 ? -4.767 -8.482 6.819 1.00 15.23 ? 26 ASP A C 1 ATOM 212 O O . ASP A 1 26 ? -5.894 -8.507 6.377 1.00 15.13 ? 26 ASP A O 1 ATOM 213 C CB . ASP A 1 26 ? -5.174 -10.075 8.689 1.00 15.58 ? 26 ASP A CB 1 ATOM 214 C CG . ASP A 1 26 ? -4.613 -11.251 7.926 1.00 18.50 ? 26 ASP A CG 1 ATOM 215 O OD1 . ASP A 1 26 ? -3.873 -11.128 6.939 1.00 17.86 ? 26 ASP A OD1 1 ATOM 216 O OD2 . ASP A 1 26 ? -4.928 -12.412 8.286 1.00 23.85 ? 26 ASP A OD2 1 ATOM 217 N N . PRO A 1 27 ? -3.705 -8.229 6.052 1.00 14.87 ? 27 PRO A N 1 ATOM 218 C CA . PRO A 1 27 ? -3.874 -7.859 4.645 1.00 14.62 ? 27 PRO A CA 1 ATOM 219 C C . PRO A 1 27 ? -4.504 -8.936 3.804 1.00 14.44 ? 27 PRO A C 1 ATOM 220 O O . PRO A 1 27 ? -5.022 -8.613 2.754 1.00 14.94 ? 27 PRO A O 1 ATOM 221 C CB . PRO A 1 27 ? -2.439 -7.583 4.148 1.00 15.93 ? 27 PRO A CB 1 ATOM 222 C CG . PRO A 1 27 ? -1.624 -7.477 5.331 1.00 18.05 ? 27 PRO A CG 1 ATOM 223 C CD . PRO A 1 27 ? -2.290 -8.236 6.463 1.00 15.40 ? 27 PRO A CD 1 ATOM 224 N N . PHE A 1 28 ? -4.464 -10.186 4.264 1.00 13.95 ? 28 PHE A N 1 ATOM 225 C CA . PHE A 1 28 ? -5.042 -11.260 3.474 1.00 14.39 ? 28 PHE A CA 1 ATOM 226 C C . PHE A 1 28 ? -6.405 -11.729 3.953 1.00 14.24 ? 28 PHE A C 1 ATOM 227 O O . PHE A 1 28 ? -6.955 -12.658 3.368 1.00 16.23 ? 28 PHE A O 1 ATOM 228 C CB . PHE A 1 28 ? -4.065 -12.462 3.393 1.00 14.65 ? 28 PHE A CB 1 ATOM 229 C CG . PHE A 1 28 ? -2.820 -12.173 2.587 1.00 14.30 ? 28 PHE A CG 1 ATOM 230 C CD1 . PHE A 1 28 ? -2.815 -12.413 1.217 1.00 16.04 ? 28 PHE A CD1 1 ATOM 231 C CD2 . PHE A 1 28 ? -1.671 -11.632 3.179 1.00 18.27 ? 28 PHE A CD2 1 ATOM 232 C CE1 . PHE A 1 28 ? -1.696 -12.140 0.442 1.00 17.87 ? 28 PHE A CE1 1 ATOM 233 C CE2 . PHE A 1 28 ? -0.553 -11.340 2.393 1.00 16.52 ? 28 PHE A CE2 1 ATOM 234 C CZ . PHE A 1 28 ? -0.563 -11.608 1.039 1.00 18.23 ? 28 PHE A CZ 1 ATOM 235 N N . LEU A 1 29 ? -6.969 -11.071 4.961 1.00 13.55 ? 29 LEU A N 1 ATOM 236 C CA . LEU A 1 29 ? -8.255 -11.470 5.536 1.00 13.11 ? 29 LEU A CA 1 ATOM 237 C C . LEU A 1 29 ? -9.413 -11.198 4.599 1.00 13.74 ? 29 LEU A C 1 ATOM 238 O O . LEU A 1 29 ? -10.228 -12.073 4.346 1.00 15.12 ? 29 LEU A O 1 ATOM 239 C CB . LEU A 1 29 ? -8.487 -10.733 6.838 1.00 13.02 ? 29 LEU A CB 1 ATOM 240 C CG . LEU A 1 29 ? -9.772 -11.058 7.575 1.00 12.55 ? 29 LEU A CG 1 ATOM 241 C CD1 . LEU A 1 29 ? -9.825 -12.527 8.043 1.00 15.50 ? 29 LEU A CD1 1 ATOM 242 C CD2 . LEU A 1 29 ? -9.911 -10.056 8.739 1.00 15.07 ? 29 LEU A CD2 1 ATOM 243 N N . CYS A 1 30 ? -9.498 -9.967 4.094 1.00 12.69 ? 30 CYS A N 1 ATOM 244 C CA . CYS A 1 30 ? -10.614 -9.598 3.208 1.00 13.67 ? 30 CYS A CA 1 ATOM 245 C C . CYS A 1 30 ? -10.137 -9.332 1.791 1.00 13.32 ? 30 CYS A C 1 ATOM 246 O O . CYS A 1 30 ? -8.915 -9.137 1.559 1.00 14.58 ? 30 CYS A O 1 ATOM 247 C CB . CYS A 1 30 ? -11.269 -8.318 3.759 1.00 13.61 ? 30 CYS A CB 1 ATOM 248 S SG . CYS A 1 30 ? -11.647 -8.476 5.522 1.00 15.20 ? 30 CYS A SG 1 ATOM 249 N N . THR A 1 31 ? -11.075 -9.343 0.846 1.00 12.33 ? 31 THR A N 1 ATOM 250 C CA . THR A 1 31 ? -10.759 -9.006 -0.547 1.00 12.56 ? 31 THR A CA 1 ATOM 251 C C . THR A 1 31 ? -10.848 -7.498 -0.750 1.00 13.34 ? 31 THR A C 1 ATOM 252 O O . THR A 1 31 ? -10.150 -6.964 -1.611 1.00 13.36 ? 31 THR A O 1 ATOM 253 C CB . THR A 1 31 ? -11.679 -9.690 -1.550 1.00 12.49 ? 31 THR A CB 1 ATOM 254 O OG1 . THR A 1 31 ? -13.052 -9.349 -1.324 1.00 13.79 ? 31 THR A OG1 1 ATOM 255 C CG2 . THR A 1 31 ? -11.581 -11.226 -1.432 1.00 15.61 ? 31 THR A CG2 1 ATOM 256 N N . HIS A 1 32 ? -11.711 -6.852 0.031 1.00 12.25 ? 32 HIS A N 1 ATOM 257 C CA . HIS A 1 32 ? -11.941 -5.401 -0.066 1.00 11.35 ? 32 HIS A CA 1 ATOM 258 C C . HIS A 1 32 ? -12.053 -4.843 1.340 1.00 11.84 ? 32 HIS A C 1 ATOM 259 O O . HIS A 1 32 ? -12.760 -5.409 2.167 1.00 12.90 ? 32 HIS A O 1 ATOM 260 C CB . HIS A 1 32 ? -13.246 -5.069 -0.790 1.00 12.42 ? 32 HIS A CB 1 ATOM 261 C CG . HIS A 1 32 ? -13.334 -5.583 -2.197 1.00 12.55 ? 32 HIS A CG 1 ATOM 262 N ND1 . HIS A 1 32 ? -13.363 -6.936 -2.502 1.00 13.30 ? 32 HIS A ND1 1 ATOM 263 C CD2 . HIS A 1 32 ? -13.423 -4.927 -3.385 1.00 12.77 ? 32 HIS A CD2 1 ATOM 264 C CE1 . HIS A 1 32 ? -13.454 -7.083 -3.814 1.00 14.62 ? 32 HIS A CE1 1 ATOM 265 N NE2 . HIS A 1 32 ? -13.500 -5.881 -4.373 1.00 13.79 ? 32 HIS A NE2 1 ATOM 266 N N . VAL A 1 33 ? -11.303 -3.784 1.644 1.00 11.83 ? 33 VAL A N 1 ATOM 267 C CA . VAL A 1 33 ? -11.499 -3.116 2.927 1.00 10.68 ? 33 VAL A CA 1 ATOM 268 C C . VAL A 1 33 ? -12.021 -1.710 2.635 1.00 11.18 ? 33 VAL A C 1 ATOM 269 O O . VAL A 1 33 ? -11.457 -1.006 1.790 1.00 11.91 ? 33 VAL A O 1 ATOM 270 C CB . VAL A 1 33 ? -10.169 -2.984 3.706 1.00 11.46 ? 33 VAL A CB 1 ATOM 271 C CG1 . VAL A 1 33 ? -10.379 -2.185 4.967 1.00 12.85 ? 33 VAL A CG1 1 ATOM 272 C CG2 . VAL A 1 33 ? -9.668 -4.377 4.064 1.00 13.72 ? 33 VAL A CG2 1 ATOM 273 N N . ILE A 1 34 ? -13.082 -1.334 3.336 1.00 11.23 ? 34 ILE A N 1 ATOM 274 C CA . ILE A 1 34 ? -13.736 -0.027 3.118 1.00 11.26 ? 34 ILE A CA 1 ATOM 275 C C . ILE A 1 34 ? -13.501 0.823 4.343 1.00 11.86 ? 34 ILE A C 1 ATOM 276 O O . ILE A 1 34 ? -13.840 0.448 5.466 1.00 12.31 ? 34 ILE A O 1 ATOM 277 C CB . ILE A 1 34 ? -15.250 -0.198 2.862 1.00 12.19 ? 34 ILE A CB 1 ATOM 278 C CG1 . ILE A 1 34 ? -15.455 -1.098 1.644 1.00 13.73 ? 34 ILE A CG1 1 ATOM 279 C CG2 . ILE A 1 34 ? -15.847 1.193 2.617 1.00 13.16 ? 34 ILE A CG2 1 ATOM 280 C CD1 . ILE A 1 34 ? -16.950 -1.273 1.249 1.00 13.75 ? 34 ILE A CD1 1 ATOM 281 N N . TYR A 1 35 ? -12.880 1.979 4.138 1.00 11.89 ? 35 TYR A N 1 ATOM 282 C CA . TYR A 1 35 ? -12.605 2.915 5.215 1.00 12.30 ? 35 TYR A CA 1 ATOM 283 C C . TYR A 1 35 ? -13.825 3.819 5.387 1.00 13.20 ? 35 TYR A C 1 ATOM 284 O O . TYR A 1 35 ? -14.314 4.361 4.410 1.00 13.36 ? 35 TYR A O 1 ATOM 285 C CB . TYR A 1 35 ? -11.410 3.781 4.796 1.00 12.25 ? 35 TYR A CB 1 ATOM 286 C CG . TYR A 1 35 ? -10.833 4.642 5.887 1.00 12.36 ? 35 TYR A CG 1 ATOM 287 C CD1 . TYR A 1 35 ? -9.709 4.237 6.611 1.00 13.21 ? 35 TYR A CD1 1 ATOM 288 C CD2 . TYR A 1 35 ? -11.413 5.872 6.185 1.00 13.21 ? 35 TYR A CD2 1 ATOM 289 C CE1 . TYR A 1 35 ? -9.177 5.036 7.595 1.00 12.97 ? 35 TYR A CE1 1 ATOM 290 C CE2 . TYR A 1 35 ? -10.890 6.664 7.171 1.00 14.33 ? 35 TYR A CE2 1 ATOM 291 C CZ . TYR A 1 35 ? -9.780 6.234 7.873 1.00 15.28 ? 35 TYR A CZ 1 ATOM 292 O OH . TYR A 1 35 ? -9.229 7.021 8.870 1.00 17.26 ? 35 TYR A OH 1 ATOM 293 N N . THR A 1 36 ? -14.306 3.977 6.618 1.00 12.91 ? 36 THR A N 1 ATOM 294 C CA . THR A 1 36 ? -15.494 4.800 6.876 1.00 15.50 ? 36 THR A CA 1 ATOM 295 C C . THR A 1 36 ? -15.247 5.819 7.990 1.00 15.19 ? 36 THR A C 1 ATOM 296 O O . THR A 1 36 ? -14.614 5.475 8.992 1.00 15.66 ? 36 THR A O 1 ATOM 297 C CB . THR A 1 36 ? -16.687 3.928 7.333 1.00 16.32 ? 36 THR A CB 1 ATOM 298 O OG1 . THR A 1 36 ? -16.251 2.999 8.299 1.00 23.53 ? 36 THR A OG1 1 ATOM 299 C CG2 . THR A 1 36 ? -17.180 3.052 6.250 1.00 20.61 ? 36 THR A CG2 1 ATOM 300 N N . PHE A 1 37 ? -15.707 7.074 7.844 1.00 14.35 ? 37 PHE A N 1 ATOM 301 C CA . PHE A 1 37 ? -16.398 7.603 6.661 1.00 13.92 ? 37 PHE A CA 1 ATOM 302 C C . PHE A 1 37 ? -15.727 8.878 6.235 1.00 14.14 ? 37 PHE A C 1 ATOM 303 O O . PHE A 1 37 ? -15.068 9.536 7.049 1.00 15.65 ? 37 PHE A O 1 ATOM 304 C CB . PHE A 1 37 ? -17.849 7.978 6.968 1.00 14.04 ? 37 PHE A CB 1 ATOM 305 C CG . PHE A 1 37 ? -18.741 6.814 7.210 1.00 13.47 ? 37 PHE A CG 1 ATOM 306 C CD1 . PHE A 1 37 ? -19.097 6.476 8.485 1.00 15.48 ? 37 PHE A CD1 1 ATOM 307 C CD2 . PHE A 1 37 ? -19.192 6.025 6.135 1.00 14.96 ? 37 PHE A CD2 1 ATOM 308 C CE1 . PHE A 1 37 ? -19.946 5.346 8.738 1.00 18.18 ? 37 PHE A CE1 1 ATOM 309 C CE2 . PHE A 1 37 ? -20.017 4.877 6.382 1.00 14.43 ? 37 PHE A CE2 1 ATOM 310 C CZ . PHE A 1 37 ? -20.389 4.555 7.681 1.00 18.16 ? 37 PHE A CZ 1 ATOM 311 N N . ALA A 1 38 ? -15.905 9.220 4.968 1.00 13.96 ? 38 ALA A N 1 ATOM 312 C CA . ALA A 1 38 ? -15.467 10.502 4.439 1.00 15.19 ? 38 ALA A CA 1 ATOM 313 C C . ALA A 1 38 ? -16.564 11.531 4.639 1.00 15.73 ? 38 ALA A C 1 ATOM 314 O O . ALA A 1 38 ? -17.774 11.191 4.715 1.00 16.68 ? 38 ALA A O 1 ATOM 315 C CB . ALA A 1 38 ? -15.152 10.344 2.959 1.00 14.93 ? 38 ALA A CB 1 ATOM 316 N N . ASN A 1 39 ? -16.153 12.796 4.688 1.00 15.77 ? 39 ASN A N 1 ATOM 317 C CA . ASN A 1 39 ? -17.100 13.899 4.799 1.00 16.12 ? 39 ASN A CA 1 ATOM 318 C C . ASN A 1 39 ? -17.437 14.412 3.388 1.00 16.35 ? 39 ASN A C 1 ATOM 319 O O . ASN A 1 39 ? -16.807 14.030 2.392 1.00 15.73 ? 39 ASN A O 1 ATOM 320 C CB . ASN A 1 39 ? -16.436 15.051 5.597 1.00 16.52 ? 39 ASN A CB 1 ATOM 321 C CG . ASN A 1 39 ? -17.443 16.075 6.143 1.00 19.88 ? 39 ASN A CG 1 ATOM 322 O OD1 . ASN A 1 39 ? -18.655 15.871 6.106 1.00 21.44 ? 39 ASN A OD1 1 ATOM 323 N ND2 . ASN A 1 39 ? -16.902 17.184 6.664 1.00 19.42 ? 39 ASN A ND2 1 ATOM 324 N N . ILE A 1 40 ? -18.443 15.294 3.296 1.00 16.94 ? 40 ILE A N 1 ATOM 325 C CA . ILE A 1 40 ? -18.656 16.065 2.076 1.00 17.77 ? 40 ILE A CA 1 ATOM 326 C C . ILE A 1 40 ? -18.708 17.507 2.550 1.00 18.67 ? 40 ILE A C 1 ATOM 327 O O . ILE A 1 40 ? -19.494 17.815 3.439 1.00 19.52 ? 40 ILE A O 1 ATOM 328 C CB . ILE A 1 40 ? -19.932 15.701 1.344 1.00 18.50 ? 40 ILE A CB 1 ATOM 329 C CG1 . ILE A 1 40 ? -19.942 14.229 0.939 1.00 19.87 ? 40 ILE A CG1 1 ATOM 330 C CG2 . ILE A 1 40 ? -20.086 16.572 0.113 1.00 20.06 ? 40 ILE A CG2 1 ATOM 331 C CD1 . ILE A 1 40 ? -21.181 13.811 0.212 1.00 20.14 ? 40 ILE A CD1 1 ATOM 332 N N . SER A 1 41 ? -17.832 18.335 1.993 1.00 19.23 ? 41 SER A N 1 ATOM 333 C CA . SER A 1 41 ? -17.687 19.723 2.393 1.00 20.64 ? 41 SER A CA 1 ATOM 334 C C . SER A 1 41 ? -17.514 20.569 1.133 1.00 21.17 ? 41 SER A C 1 ATOM 335 O O . SER A 1 41 ? -16.777 20.201 0.230 1.00 20.97 ? 41 SER A O 1 ATOM 336 C CB . SER A 1 41 ? -16.482 19.852 3.323 1.00 21.34 ? 41 SER A CB 1 ATOM 337 O OG . SER A 1 41 ? -16.342 21.184 3.816 1.00 25.97 ? 41 SER A OG 1 ATOM 338 N N . ASN A 1 42 ? -18.263 21.665 1.040 1.00 22.18 ? 42 ASN A N 1 ATOM 339 C CA . ASN A 1 42 ? -18.238 22.478 -0.173 1.00 22.69 ? 42 ASN A CA 1 ATOM 340 C C . ASN A 1 42 ? -18.631 21.637 -1.390 1.00 21.58 ? 42 ASN A C 1 ATOM 341 O O . ASN A 1 42 ? -18.133 21.854 -2.473 1.00 21.31 ? 42 ASN A O 1 ATOM 342 C CB . ASN A 1 42 ? -16.872 23.143 -0.375 1.00 24.27 ? 42 ASN A CB 1 ATOM 343 C CG . ASN A 1 42 ? -16.539 24.127 0.737 1.00 28.07 ? 42 ASN A CG 1 ATOM 344 O OD1 . ASN A 1 42 ? -16.807 25.323 0.620 1.00 35.59 ? 42 ASN A OD1 1 ATOM 345 N ND2 . ASN A 1 42 ? -15.993 23.617 1.835 1.00 31.74 ? 42 ASN A ND2 1 ATOM 346 N N . ASN A 1 43 ? -19.540 20.683 -1.167 1.00 20.89 ? 43 ASN A N 1 ATOM 347 C CA . ASN A 1 43 ? -20.039 19.752 -2.180 1.00 20.83 ? 43 ASN A CA 1 ATOM 348 C C . ASN A 1 43 ? -18.961 18.834 -2.767 1.00 20.19 ? 43 ASN A C 1 ATOM 349 O O . ASN A 1 43 ? -19.112 18.326 -3.872 1.00 19.70 ? 43 ASN A O 1 ATOM 350 C CB . ASN A 1 43 ? -20.780 20.474 -3.306 1.00 21.52 ? 43 ASN A CB 1 ATOM 351 C CG . ASN A 1 43 ? -22.122 21.050 -2.854 1.00 22.83 ? 43 ASN A CG 1 ATOM 352 O OD1 . ASN A 1 43 ? -22.687 20.631 -1.848 1.00 25.44 ? 43 ASN A OD1 1 ATOM 353 N ND2 . ASN A 1 43 ? -22.621 22.012 -3.598 1.00 25.84 ? 43 ASN A ND2 1 ATOM 354 N N . GLU A 1 44 ? -17.860 18.678 -2.039 1.00 19.53 ? 44 GLU A N 1 ATOM 355 C CA . GLU A 1 44 ? -16.751 17.828 -2.483 1.00 19.67 ? 44 GLU A CA 1 ATOM 356 C C . GLU A 1 44 ? -16.390 16.802 -1.419 1.00 18.31 ? 44 GLU A C 1 ATOM 357 O O . GLU A 1 44 ? -16.493 17.069 -0.221 1.00 18.09 ? 44 GLU A O 1 ATOM 358 C CB . GLU A 1 44 ? -15.524 18.667 -2.827 1.00 20.30 ? 44 GLU A CB 1 ATOM 359 C CG . GLU A 1 44 ? -15.820 19.577 -4.017 1.00 23.00 ? 44 GLU A CG 1 ATOM 360 C CD . GLU A 1 44 ? -14.617 20.310 -4.543 1.00 29.02 ? 44 GLU A CD 1 ATOM 361 O OE1 . GLU A 1 44 ? -14.659 20.708 -5.717 1.00 30.43 ? 44 GLU A OE1 1 ATOM 362 O OE2 . GLU A 1 44 ? -13.649 20.494 -3.784 1.00 32.84 ? 44 GLU A OE2 1 ATOM 363 N N . ILE A 1 45 ? -15.983 15.606 -1.842 1.00 16.56 ? 45 ILE A N 1 ATOM 364 C CA . ILE A 1 45 ? -15.535 14.618 -0.859 1.00 16.34 ? 45 ILE A CA 1 ATOM 365 C C . ILE A 1 45 ? -14.351 15.189 -0.070 1.00 16.46 ? 45 ILE A C 1 ATOM 366 O O . ILE A 1 45 ? -13.557 15.980 -0.593 1.00 17.53 ? 45 ILE A O 1 ATOM 367 C CB . ILE A 1 45 ? -15.166 13.292 -1.567 1.00 15.01 ? 45 ILE A CB 1 ATOM 368 C CG1 . ILE A 1 45 ? -15.031 12.155 -0.542 1.00 16.73 ? 45 ILE A CG1 1 ATOM 369 C CG2 . ILE A 1 45 ? -13.930 13.449 -2.477 1.00 16.56 ? 45 ILE A CG2 1 ATOM 370 C CD1 . ILE A 1 45 ? -15.043 10.745 -1.166 1.00 17.38 ? 45 ILE A CD1 1 ATOM 371 N N . ASP A 1 46 ? -14.265 14.813 1.204 1.00 16.29 ? 46 ASP A N 1 ATOM 372 C CA . ASP A 1 46 ? -13.210 15.337 2.074 1.00 17.55 ? 46 ASP A CA 1 ATOM 373 C C . ASP A 1 46 ? -12.922 14.403 3.242 1.00 17.09 ? 46 ASP A C 1 ATOM 374 O O . ASP A 1 46 ? -13.673 13.454 3.494 1.00 17.41 ? 46 ASP A O 1 ATOM 375 C CB . ASP A 1 46 ? -13.661 16.701 2.615 1.00 18.78 ? 46 ASP A CB 1 ATOM 376 C CG . ASP A 1 46 ? -12.513 17.601 2.993 1.00 21.59 ? 46 ASP A CG 1 ATOM 377 O OD1 . ASP A 1 46 ? -11.316 17.279 2.777 1.00 22.22 ? 46 ASP A OD1 1 ATOM 378 O OD2 . ASP A 1 46 ? -12.759 18.696 3.529 1.00 27.52 ? 46 ASP A OD2 1 ATOM 379 N N . THR A 1 47 ? -11.814 14.648 3.948 1.00 17.33 ? 47 THR A N 1 ATOM 380 C CA . THR A 1 47 ? -11.493 13.881 5.136 1.00 17.38 ? 47 THR A CA 1 ATOM 381 C C . THR A 1 47 ? -12.449 14.240 6.257 1.00 18.63 ? 47 THR A C 1 ATOM 382 O O . THR A 1 47 ? -13.213 15.209 6.150 1.00 19.09 ? 47 THR A O 1 ATOM 383 C CB . THR A 1 47 ? -10.057 14.153 5.608 1.00 17.82 ? 47 THR A CB 1 ATOM 384 O OG1 . THR A 1 47 ? -9.872 15.576 5.727 1.00 18.49 ? 47 THR A OG1 1 ATOM 385 C CG2 . THR A 1 47 ? -9.054 13.719 4.562 1.00 16.63 ? 47 THR A CG2 1 ATOM 386 N N . TRP A 1 48 ? -12.379 13.478 7.339 1.00 17.66 ? 48 TRP A N 1 ATOM 387 C CA . TRP A 1 48 ? -13.277 13.648 8.493 1.00 18.68 ? 48 TRP A CA 1 ATOM 388 C C . TRP A 1 48 ? -12.438 13.800 9.762 1.00 18.65 ? 48 TRP A C 1 ATOM 389 O O . TRP A 1 48 ? -12.463 14.858 10.422 1.00 19.66 ? 48 TRP A O 1 ATOM 390 C CB . TRP A 1 48 ? -14.195 12.430 8.605 1.00 18.78 ? 48 TRP A CB 1 ATOM 391 C CG . TRP A 1 48 ? -15.250 12.573 9.647 1.00 21.30 ? 48 TRP A CG 1 ATOM 392 C CD1 . TRP A 1 48 ? -15.085 12.622 11.011 1.00 22.53 ? 48 TRP A CD1 1 ATOM 393 C CD2 . TRP A 1 48 ? -16.650 12.708 9.406 1.00 25.74 ? 48 TRP A CD2 1 ATOM 394 N NE1 . TRP A 1 48 ? -16.307 12.782 11.622 1.00 23.55 ? 48 TRP A NE1 1 ATOM 395 C CE2 . TRP A 1 48 ? -17.284 12.837 10.656 1.00 26.86 ? 48 TRP A CE2 1 ATOM 396 C CE3 . TRP A 1 48 ? -17.443 12.710 8.243 1.00 28.82 ? 48 TRP A CE3 1 ATOM 397 C CZ2 . TRP A 1 48 ? -18.681 12.981 10.779 1.00 29.22 ? 48 TRP A CZ2 1 ATOM 398 C CZ3 . TRP A 1 48 ? -18.825 12.842 8.363 1.00 32.68 ? 48 TRP A CZ3 1 ATOM 399 C CH2 . TRP A 1 48 ? -19.429 12.978 9.624 1.00 32.52 ? 48 TRP A CH2 1 ATOM 400 N N . GLU A 1 49 ? -11.672 12.770 10.106 1.00 17.58 ? 49 GLU A N 1 ATOM 401 C CA . GLU A 1 49 ? -10.763 12.834 11.258 1.00 17.78 ? 49 GLU A CA 1 ATOM 402 C C . GLU A 1 49 ? -9.541 13.680 10.936 1.00 17.63 ? 49 GLU A C 1 ATOM 403 O O . GLU A 1 49 ? -9.085 13.755 9.788 1.00 16.83 ? 49 GLU A O 1 ATOM 404 C CB . GLU A 1 49 ? -10.300 11.438 11.675 1.00 18.22 ? 49 GLU A CB 1 ATOM 405 C CG . GLU A 1 49 ? -11.439 10.587 12.203 1.00 19.17 ? 49 GLU A CG 1 ATOM 406 C CD . GLU A 1 49 ? -12.072 11.202 13.447 1.00 23.03 ? 49 GLU A CD 1 ATOM 407 O OE1 . GLU A 1 49 ? -11.384 11.921 14.186 1.00 26.54 ? 49 GLU A OE1 1 ATOM 408 O OE2 . GLU A 1 49 ? -13.257 10.972 13.685 1.00 31.19 ? 49 GLU A OE2 1 ATOM 409 N N . TRP A 1 50 ? -8.978 14.286 11.979 1.00 18.54 ? 50 TRP A N 1 ATOM 410 C CA . TRP A 1 50 ? -7.785 15.125 11.808 1.00 18.67 ? 50 TRP A CA 1 ATOM 411 C C . TRP A 1 50 ? -6.617 14.400 11.136 1.00 18.23 ? 50 TRP A C 1 ATOM 412 O O . TRP A 1 50 ? -5.795 15.028 10.458 1.00 19.16 ? 50 TRP A O 1 ATOM 413 C CB . TRP A 1 50 ? -7.325 15.671 13.175 1.00 18.81 ? 50 TRP A CB 1 ATOM 414 C CG . TRP A 1 50 ? -6.755 14.626 14.064 1.00 20.26 ? 50 TRP A CG 1 ATOM 415 C CD1 . TRP A 1 50 ? -7.452 13.735 14.837 1.00 19.14 ? 50 TRP A CD1 1 ATOM 416 C CD2 . TRP A 1 50 ? -5.372 14.310 14.240 1.00 19.92 ? 50 TRP A CD2 1 ATOM 417 N NE1 . TRP A 1 50 ? -6.578 12.901 15.490 1.00 21.37 ? 50 TRP A NE1 1 ATOM 418 C CE2 . TRP A 1 50 ? -5.296 13.238 15.143 1.00 21.31 ? 50 TRP A CE2 1 ATOM 419 C CE3 . TRP A 1 50 ? -4.177 14.849 13.734 1.00 20.53 ? 50 TRP A CE3 1 ATOM 420 C CZ2 . TRP A 1 50 ? -4.079 12.682 15.554 1.00 22.64 ? 50 TRP A CZ2 1 ATOM 421 C CZ3 . TRP A 1 50 ? -2.966 14.283 14.128 1.00 22.71 ? 50 TRP A CZ3 1 ATOM 422 C CH2 . TRP A 1 50 ? -2.931 13.213 15.035 1.00 22.54 ? 50 TRP A CH2 1 ATOM 423 N N . ASN A 1 51 ? -6.533 13.082 11.339 1.00 17.05 ? 51 ASN A N 1 ATOM 424 C CA . ASN A 1 51 ? -5.410 12.295 10.866 1.00 16.10 ? 51 ASN A CA 1 ATOM 425 C C . ASN A 1 51 ? -5.829 11.335 9.763 1.00 15.90 ? 51 ASN A C 1 ATOM 426 O O . ASN A 1 51 ? -5.126 10.360 9.492 1.00 15.82 ? 51 ASN A O 1 ATOM 427 C CB . ASN A 1 51 ? -4.714 11.542 12.011 1.00 16.24 ? 51 ASN A CB 1 ATOM 428 C CG . ASN A 1 51 ? -5.662 10.603 12.757 1.00 17.02 ? 51 ASN A CG 1 ATOM 429 O OD1 . ASN A 1 51 ? -6.890 10.669 12.579 1.00 16.29 ? 51 ASN A OD1 1 ATOM 430 N ND2 . ASN A 1 51 ? -5.102 9.754 13.620 1.00 16.86 ? 51 ASN A ND2 1 ATOM 431 N N . ASP A 1 52 ? -6.946 11.622 9.097 1.00 15.88 ? 52 ASP A N 1 ATOM 432 C CA . ASP A 1 52 ? -7.358 10.697 8.020 1.00 15.98 ? 52 ASP A CA 1 ATOM 433 C C . ASP A 1 52 ? -6.301 10.489 6.941 1.00 16.09 ? 52 ASP A C 1 ATOM 434 O O . ASP A 1 52 ? -6.101 9.374 6.473 1.00 15.38 ? 52 ASP A O 1 ATOM 435 C CB . ASP A 1 52 ? -8.671 11.123 7.355 1.00 16.11 ? 52 ASP A CB 1 ATOM 436 C CG . ASP A 1 52 ? -9.902 10.585 8.056 1.00 17.44 ? 52 ASP A CG 1 ATOM 437 O OD1 . ASP A 1 52 ? -9.804 9.631 8.871 1.00 17.12 ? 52 ASP A OD1 1 ATOM 438 O OD2 . ASP A 1 52 ? -11.011 11.106 7.826 1.00 19.89 ? 52 ASP A OD2 1 ATOM 439 N N . VAL A 1 53 ? -5.570 11.530 6.540 1.00 16.08 ? 53 VAL A N 1 ATOM 440 C CA . VAL A 1 53 ? -4.577 11.298 5.483 1.00 15.79 ? 53 VAL A CA 1 ATOM 441 C C . VAL A 1 53 ? -3.551 10.254 5.945 1.00 15.28 ? 53 VAL A C 1 ATOM 442 O O . VAL A 1 53 ? -3.135 9.409 5.174 1.00 15.75 ? 53 VAL A O 1 ATOM 443 C CB . VAL A 1 53 ? -3.895 12.606 5.010 1.00 16.03 ? 53 VAL A CB 1 ATOM 444 C CG1 . VAL A 1 53 ? -2.829 12.342 3.946 1.00 18.58 ? 53 VAL A CG1 1 ATOM 445 C CG2 . VAL A 1 53 ? -4.937 13.549 4.444 1.00 18.39 ? 53 VAL A CG2 1 ATOM 446 N N . THR A 1 54 ? -3.160 10.310 7.216 1.00 16.26 ? 54 THR A N 1 ATOM 447 C CA . THR A 1 54 ? -2.243 9.331 7.753 1.00 16.08 ? 54 THR A CA 1 ATOM 448 C C . THR A 1 54 ? -2.848 7.925 7.784 1.00 16.16 ? 54 THR A C 1 ATOM 449 O O . THR A 1 54 ? -2.211 6.967 7.365 1.00 16.78 ? 54 THR A O 1 ATOM 450 C CB . THR A 1 54 ? -1.811 9.736 9.174 1.00 17.66 ? 54 THR A CB 1 ATOM 451 O OG1 . THR A 1 54 ? -0.872 10.837 9.050 1.00 17.25 ? 54 THR A OG1 1 ATOM 452 C CG2 . THR A 1 54 ? -1.016 8.616 9.830 1.00 17.11 ? 54 THR A CG2 1 ATOM 453 N N . LEU A 1 55 ? -4.064 7.825 8.290 1.00 15.24 ? 55 LEU A N 1 ATOM 454 C CA . LEU A 1 55 ? -4.695 6.512 8.388 1.00 15.20 ? 55 LEU A CA 1 ATOM 455 C C . LEU A 1 55 ? -4.999 5.948 6.995 1.00 14.90 ? 55 LEU A C 1 ATOM 456 O O . LEU A 1 55 ? -4.950 4.729 6.795 1.00 13.97 ? 55 LEU A O 1 ATOM 457 C CB . LEU A 1 55 ? -5.963 6.569 9.251 1.00 15.35 ? 55 LEU A CB 1 ATOM 458 C CG . LEU A 1 55 ? -5.734 6.274 10.741 1.00 20.07 ? 55 LEU A CG 1 ATOM 459 C CD1 . LEU A 1 55 ? -4.613 7.042 11.378 1.00 22.75 ? 55 LEU A CD1 1 ATOM 460 C CD2 . LEU A 1 55 ? -7.040 6.419 11.546 1.00 19.44 ? 55 LEU A CD2 1 ATOM 461 N N . TYR A 1 56 ? -5.372 6.815 6.047 1.00 14.18 ? 56 TYR A N 1 ATOM 462 C CA . TYR A 1 56 ? -5.560 6.325 4.676 1.00 13.78 ? 56 TYR A CA 1 ATOM 463 C C . TYR A 1 56 ? -4.253 5.653 4.185 1.00 14.31 ? 56 TYR A C 1 ATOM 464 O O . TYR A 1 56 ? -4.270 4.590 3.542 1.00 14.43 ? 56 TYR A O 1 ATOM 465 C CB . TYR A 1 56 ? -5.828 7.475 3.714 1.00 14.25 ? 56 TYR A CB 1 ATOM 466 C CG . TYR A 1 56 ? -7.139 8.224 3.783 1.00 14.65 ? 56 TYR A CG 1 ATOM 467 C CD1 . TYR A 1 56 ? -8.229 7.789 4.538 1.00 14.00 ? 56 TYR A CD1 1 ATOM 468 C CD2 . TYR A 1 56 ? -7.270 9.405 3.073 1.00 14.73 ? 56 TYR A CD2 1 ATOM 469 C CE1 . TYR A 1 56 ? -9.424 8.520 4.559 1.00 13.51 ? 56 TYR A CE1 1 ATOM 470 C CE2 . TYR A 1 56 ? -8.430 10.112 3.077 1.00 14.53 ? 56 TYR A CE2 1 ATOM 471 C CZ . TYR A 1 56 ? -9.495 9.690 3.824 1.00 15.00 ? 56 TYR A CZ 1 ATOM 472 O OH . TYR A 1 56 ? -10.654 10.434 3.792 1.00 16.38 ? 56 TYR A OH 1 ATOM 473 N N . ASP A 1 57 ? -3.133 6.281 4.517 1.00 14.59 ? 57 ASP A N 1 ATOM 474 C CA . ASP A 1 57 ? -1.842 5.805 4.112 1.00 16.61 ? 57 ASP A CA 1 ATOM 475 C C . ASP A 1 57 ? -1.530 4.491 4.812 1.00 15.72 ? 57 ASP A C 1 ATOM 476 O O . ASP A 1 57 ? -1.047 3.557 4.172 1.00 16.90 ? 57 ASP A O 1 ATOM 477 C CB . ASP A 1 57 ? -0.812 6.885 4.428 1.00 17.33 ? 57 ASP A CB 1 ATOM 478 C CG . ASP A 1 57 ? 0.576 6.454 4.121 1.00 23.11 ? 57 ASP A CG 1 ATOM 479 O OD1 . ASP A 1 57 ? 0.941 6.415 2.925 1.00 28.96 ? 57 ASP A OD1 1 ATOM 480 O OD2 . ASP A 1 57 ? 1.368 6.121 5.019 1.00 28.17 ? 57 ASP A OD2 1 ATOM 481 N N . THR A 1 58 ? -1.857 4.392 6.102 1.00 14.84 ? 58 THR A N 1 ATOM 482 C CA . THR A 1 58 ? -1.619 3.151 6.835 1.00 14.90 ? 58 THR A CA 1 ATOM 483 C C . THR A 1 58 ? -2.438 2.015 6.216 1.00 15.02 ? 58 THR A C 1 ATOM 484 O O . THR A 1 58 ? -1.939 0.876 6.034 1.00 16.51 ? 58 THR A O 1 ATOM 485 C CB . THR A 1 58 ? -2.011 3.318 8.298 1.00 14.75 ? 58 THR A CB 1 ATOM 486 O OG1 . THR A 1 58 ? -1.216 4.364 8.869 1.00 16.75 ? 58 THR A OG1 1 ATOM 487 C CG2 . THR A 1 58 ? -1.621 2.032 9.099 1.00 14.26 ? 58 THR A CG2 1 ATOM 488 N N . LEU A 1 59 ? -3.700 2.317 5.886 1.00 14.66 ? 59 LEU A N 1 ATOM 489 C CA . LEU A 1 59 ? -4.549 1.292 5.238 1.00 15.25 ? 59 LEU A CA 1 ATOM 490 C C . LEU A 1 59 ? -3.972 0.870 3.881 1.00 15.51 ? 59 LEU A C 1 ATOM 491 O O . LEU A 1 59 ? -3.841 -0.313 3.579 1.00 16.07 ? 59 LEU A O 1 ATOM 492 C CB . LEU A 1 59 ? -5.965 1.852 5.027 1.00 15.42 ? 59 LEU A CB 1 ATOM 493 C CG . LEU A 1 59 ? -6.874 0.917 4.232 1.00 15.70 ? 59 LEU A CG 1 ATOM 494 C CD1 . LEU A 1 59 ? -7.159 -0.305 5.094 1.00 21.04 ? 59 LEU A CD1 1 ATOM 495 C CD2 . LEU A 1 59 ? -8.185 1.676 3.892 1.00 16.97 ? 59 LEU A CD2 1 ATOM 496 N N A ASN A 1 60 ? -3.599 1.843 3.078 0.60 16.27 ? 60 ASN A N 1 ATOM 497 N N B ASN A 1 60 ? -3.626 1.869 3.058 0.40 15.99 ? 60 ASN A N 1 ATOM 498 C CA A ASN A 1 60 ? -3.177 1.494 1.749 0.60 16.57 ? 60 ASN A CA 1 ATOM 499 C CA B ASN A 1 60 ? -3.041 1.679 1.715 0.40 16.10 ? 60 ASN A CA 1 ATOM 500 C C A ASN A 1 60 ? -1.757 0.881 1.681 0.60 17.49 ? 60 ASN A C 1 ATOM 501 C C B ASN A 1 60 ? -1.810 0.781 1.741 0.40 17.20 ? 60 ASN A C 1 ATOM 502 O O A ASN A 1 60 ? -1.385 0.330 0.648 0.60 18.49 ? 60 ASN A O 1 ATOM 503 O O B ASN A 1 60 ? -1.621 -0.072 0.873 0.40 16.61 ? 60 ASN A O 1 ATOM 504 C CB A ASN A 1 60 ? -3.436 2.681 0.804 0.60 17.10 ? 60 ASN A CB 1 ATOM 505 C CB B ASN A 1 60 ? -2.623 3.052 1.140 0.40 16.34 ? 60 ASN A CB 1 ATOM 506 C CG A ASN A 1 60 ? -4.935 2.913 0.541 0.60 17.16 ? 60 ASN A CG 1 ATOM 507 C CG B ASN A 1 60 ? -2.108 2.972 -0.293 0.40 15.71 ? 60 ASN A CG 1 ATOM 508 O OD1 A ASN A 1 60 ? -5.603 2.030 0.016 0.60 13.02 ? 60 ASN A OD1 1 ATOM 509 O OD1 B ASN A 1 60 ? -0.940 3.329 -0.571 0.40 20.25 ? 60 ASN A OD1 1 ATOM 510 N ND2 A ASN A 1 60 ? -5.481 4.090 0.914 0.60 18.96 ? 60 ASN A ND2 1 ATOM 511 N ND2 B ASN A 1 60 ? -2.942 2.495 -1.201 0.40 15.14 ? 60 ASN A ND2 1 ATOM 512 N N . THR A 1 61 ? -1.021 0.972 2.787 1.00 18.27 ? 61 THR A N 1 ATOM 513 C CA . THR A 1 61 ? 0.269 0.301 2.921 1.00 19.88 ? 61 THR A CA 1 ATOM 514 C C . THR A 1 61 ? 0.061 -1.220 3.044 1.00 20.14 ? 61 THR A C 1 ATOM 515 O O . THR A 1 61 ? 0.978 -2.024 2.751 1.00 20.20 ? 61 THR A O 1 ATOM 516 C CB . THR A 1 61 ? 1.039 0.933 4.106 1.00 21.65 ? 61 THR A CB 1 ATOM 517 O OG1 . THR A 1 61 ? 1.498 2.230 3.694 1.00 24.74 ? 61 THR A OG1 1 ATOM 518 C CG2 . THR A 1 61 ? 2.302 0.150 4.407 1.00 23.45 ? 61 THR A CG2 1 ATOM 519 N N . LEU A 1 62 ? -1.147 -1.643 3.427 1.00 18.78 ? 62 LEU A N 1 ATOM 520 C CA . LEU A 1 62 ? -1.461 -3.073 3.465 1.00 18.60 ? 62 LEU A CA 1 ATOM 521 C C . LEU A 1 62 ? -1.288 -3.731 2.086 1.00 19.22 ? 62 LEU A C 1 ATOM 522 O O . LEU A 1 62 ? -1.018 -4.928 1.987 1.00 19.34 ? 62 LEU A O 1 ATOM 523 C CB . LEU A 1 62 ? -2.882 -3.300 3.987 1.00 19.69 ? 62 LEU A CB 1 ATOM 524 C CG . LEU A 1 62 ? -3.137 -2.898 5.444 1.00 19.92 ? 62 LEU A CG 1 ATOM 525 C CD1 . LEU A 1 62 ? -4.586 -3.220 5.723 1.00 23.65 ? 62 LEU A CD1 1 ATOM 526 C CD2 . LEU A 1 62 ? -2.203 -3.646 6.410 1.00 26.05 ? 62 LEU A CD2 1 ATOM 527 N N . LYS A 1 63 ? -1.425 -2.944 1.024 1.00 19.14 ? 63 LYS A N 1 ATOM 528 C CA . LYS A 1 63 ? -1.296 -3.473 -0.326 1.00 19.20 ? 63 LYS A CA 1 ATOM 529 C C . LYS A 1 63 ? 0.156 -3.813 -0.669 1.00 20.31 ? 63 LYS A C 1 ATOM 530 O O . LYS A 1 63 ? 0.424 -4.464 -1.686 1.00 20.54 ? 63 LYS A O 1 ATOM 531 C CB . LYS A 1 63 ? -1.834 -2.475 -1.336 1.00 19.55 ? 63 LYS A CB 1 ATOM 532 C CG . LYS A 1 63 ? -3.321 -2.304 -1.286 1.00 18.62 ? 63 LYS A CG 1 ATOM 533 C CD . LYS A 1 63 ? -3.643 -1.157 -2.253 1.00 22.62 ? 63 LYS A CD 1 ATOM 534 C CE . LYS A 1 63 ? -4.972 -0.559 -2.043 1.00 19.40 ? 63 LYS A CE 1 ATOM 535 N NZ . LYS A 1 63 ? -5.225 0.488 -3.124 1.00 16.32 ? 63 LYS A NZ 1 ATOM 536 N N . ASN A 1 64 ? 1.090 -3.363 0.155 1.00 20.80 ? 64 ASN A N 1 ATOM 537 C CA . ASN A 1 64 ? 2.497 -3.743 -0.047 1.00 22.40 ? 64 ASN A CA 1 ATOM 538 C C . ASN A 1 64 ? 2.621 -5.240 0.184 1.00 22.66 ? 64 ASN A C 1 ATOM 539 O O . ASN A 1 64 ? 3.361 -5.947 -0.537 1.00 24.11 ? 64 ASN A O 1 ATOM 540 C CB . ASN A 1 64 ? 3.419 -2.976 0.907 1.00 23.66 ? 64 ASN A CB 1 ATOM 541 C CG . ASN A 1 64 ? 3.545 -1.510 0.547 1.00 26.77 ? 64 ASN A CG 1 ATOM 542 O OD1 . ASN A 1 64 ? 3.201 -1.094 -0.566 1.00 31.25 ? 64 ASN A OD1 1 ATOM 543 N ND2 . ASN A 1 64 ? 4.076 -0.718 1.476 1.00 30.55 ? 64 ASN A ND2 1 ATOM 544 N N . ARG A 1 65 ? 1.893 -5.725 1.186 1.00 20.80 ? 65 ARG A N 1 ATOM 545 C CA . ARG A 1 65 ? 1.922 -7.132 1.560 1.00 20.35 ? 65 ARG A CA 1 ATOM 546 C C . ARG A 1 65 ? 0.950 -7.945 0.699 1.00 18.65 ? 65 ARG A C 1 ATOM 547 O O . ARG A 1 65 ? 1.214 -9.087 0.319 1.00 18.69 ? 65 ARG A O 1 ATOM 548 C CB . ARG A 1 65 ? 1.636 -7.275 3.064 1.00 20.92 ? 65 ARG A CB 1 ATOM 549 C CG . ARG A 1 65 ? 2.670 -6.531 3.919 1.00 25.12 ? 65 ARG A CG 1 ATOM 550 C CD . ARG A 1 65 ? 2.348 -6.540 5.402 1.00 26.82 ? 65 ARG A CD 1 ATOM 551 N NE . ARG A 1 65 ? 2.045 -7.896 5.843 1.00 29.96 ? 65 ARG A NE 1 ATOM 552 C CZ . ARG A 1 65 ? 1.373 -8.189 6.960 1.00 29.58 ? 65 ARG A CZ 1 ATOM 553 N NH1 . ARG A 1 65 ? 0.959 -7.217 7.772 1.00 31.48 ? 65 ARG A NH1 1 ATOM 554 N NH2 . ARG A 1 65 ? 1.131 -9.458 7.264 1.00 28.86 ? 65 ARG A NH2 1 ATOM 555 N N . ASN A 1 66 ? -0.228 -7.374 0.413 1.00 16.89 ? 66 ASN A N 1 ATOM 556 C CA . ASN A 1 66 ? -1.183 -8.029 -0.453 1.00 15.51 ? 66 ASN A CA 1 ATOM 557 C C . ASN A 1 66 ? -1.566 -7.099 -1.601 1.00 16.84 ? 66 ASN A C 1 ATOM 558 O O . ASN A 1 66 ? -2.553 -6.360 -1.509 1.00 15.42 ? 66 ASN A O 1 ATOM 559 C CB . ASN A 1 66 ? -2.455 -8.421 0.310 1.00 16.24 ? 66 ASN A CB 1 ATOM 560 C CG . ASN A 1 66 ? -3.469 -9.133 -0.579 1.00 14.73 ? 66 ASN A CG 1 ATOM 561 O OD1 . ASN A 1 66 ? -3.150 -9.497 -1.716 1.00 17.15 ? 66 ASN A OD1 1 ATOM 562 N ND2 . ASN A 1 66 ? -4.676 -9.396 -0.050 1.00 14.24 ? 66 ASN A ND2 1 ATOM 563 N N . PRO A 1 67 ? -0.806 -7.117 -2.679 1.00 17.38 ? 67 PRO A N 1 ATOM 564 C CA . PRO A 1 67 ? -1.106 -6.250 -3.829 1.00 18.01 ? 67 PRO A CA 1 ATOM 565 C C . PRO A 1 67 ? -2.482 -6.431 -4.466 1.00 18.41 ? 67 PRO A C 1 ATOM 566 O O . PRO A 1 67 ? -2.932 -5.542 -5.199 1.00 20.45 ? 67 PRO A O 1 ATOM 567 C CB . PRO A 1 67 ? 0.002 -6.591 -4.864 1.00 18.43 ? 67 PRO A CB 1 ATOM 568 C CG . PRO A 1 67 ? 1.084 -7.196 -4.062 1.00 18.24 ? 67 PRO A CG 1 ATOM 569 C CD . PRO A 1 67 ? 0.447 -7.871 -2.846 1.00 17.92 ? 67 PRO A CD 1 ATOM 570 N N . LYS A 1 68 ? -3.146 -7.552 -4.216 1.00 18.04 ? 68 LYS A N 1 ATOM 571 C CA . LYS A 1 68 ? -4.466 -7.805 -4.766 1.00 18.03 ? 68 LYS A CA 1 ATOM 572 C C . LYS A 1 68 ? -5.590 -7.156 -3.938 1.00 16.38 ? 68 LYS A C 1 ATOM 573 O O . LYS A 1 68 ? -6.737 -7.091 -4.392 1.00 15.80 ? 68 LYS A O 1 ATOM 574 C CB . LYS A 1 68 ? -4.678 -9.314 -4.778 1.00 18.85 ? 68 LYS A CB 1 ATOM 575 C CG . LYS A 1 68 ? -5.848 -9.814 -5.549 1.00 25.11 ? 68 LYS A CG 1 ATOM 576 C CD . LYS A 1 68 ? -5.386 -10.591 -6.792 1.00 31.81 ? 68 LYS A CD 1 ATOM 577 C CE . LYS A 1 68 ? -6.311 -11.772 -7.005 1.00 32.61 ? 68 LYS A CE 1 ATOM 578 N NZ . LYS A 1 68 ? -6.791 -11.766 -8.407 1.00 37.66 ? 68 LYS A NZ 1 ATOM 579 N N . LEU A 1 69 ? -5.274 -6.756 -2.719 1.00 15.89 ? 69 LEU A N 1 ATOM 580 C CA . LEU A 1 69 ? -6.299 -6.147 -1.862 1.00 14.46 ? 69 LEU A CA 1 ATOM 581 C C . LEU A 1 69 ? -6.854 -4.873 -2.511 1.00 14.95 ? 69 LEU A C 1 ATOM 582 O O . LEU A 1 69 ? -6.098 -4.057 -3.045 1.00 15.43 ? 69 LEU A O 1 ATOM 583 C CB . LEU A 1 69 ? -5.673 -5.773 -0.526 1.00 14.62 ? 69 LEU A CB 1 ATOM 584 C CG . LEU A 1 69 ? -6.563 -5.121 0.516 1.00 14.07 ? 69 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 69 ? -7.625 -6.123 0.930 1.00 15.74 ? 69 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 69 ? -5.707 -4.686 1.708 1.00 14.97 ? 69 LEU A CD2 1 ATOM 587 N N . LYS A 1 70 ? -8.176 -4.714 -2.466 1.00 13.20 ? 70 LYS A N 1 ATOM 588 C CA . LYS A 1 70 ? -8.805 -3.486 -2.952 1.00 13.55 ? 70 LYS A CA 1 ATOM 589 C C . LYS A 1 70 ? -9.304 -2.678 -1.783 1.00 13.11 ? 70 LYS A C 1 ATOM 590 O O . LYS A 1 70 ? -9.792 -3.235 -0.801 1.00 12.75 ? 70 LYS A O 1 ATOM 591 C CB . LYS A 1 70 ? -9.979 -3.786 -3.889 1.00 14.40 ? 70 LYS A CB 1 ATOM 592 C CG . LYS A 1 70 ? -9.564 -4.528 -5.180 1.00 18.50 ? 70 LYS A CG 1 ATOM 593 C CD . LYS A 1 70 ? -8.585 -3.748 -5.986 1.00 25.55 ? 70 LYS A CD 1 ATOM 594 C CE . LYS A 1 70 ? -8.070 -4.573 -7.172 1.00 28.32 ? 70 LYS A CE 1 ATOM 595 N NZ . LYS A 1 70 ? -6.896 -3.893 -7.797 1.00 32.53 ? 70 LYS A NZ 1 ATOM 596 N N . THR A 1 71 ? -9.152 -1.354 -1.853 1.00 11.86 ? 71 THR A N 1 ATOM 597 C CA . THR A 1 71 ? -9.688 -0.535 -0.786 1.00 12.23 ? 71 THR A CA 1 ATOM 598 C C . THR A 1 71 ? -10.703 0.435 -1.367 1.00 11.32 ? 71 THR A C 1 ATOM 599 O O . THR A 1 71 ? -10.605 0.851 -2.513 1.00 12.43 ? 71 THR A O 1 ATOM 600 C CB . THR A 1 71 ? -8.608 0.261 -0.088 1.00 12.59 ? 71 THR A CB 1 ATOM 601 O OG1 . THR A 1 71 ? -7.833 1.032 -1.049 1.00 13.49 ? 71 THR A OG1 1 ATOM 602 C CG2 . THR A 1 71 ? -7.604 -0.694 0.579 1.00 13.41 ? 71 THR A CG2 1 ATOM 603 N N . LEU A 1 72 ? -11.697 0.772 -0.577 1.00 10.82 ? 72 LEU A N 1 ATOM 604 C CA . LEU A 1 72 ? -12.661 1.819 -0.971 1.00 10.68 ? 72 LEU A CA 1 ATOM 605 C C . LEU A 1 72 ? -12.836 2.809 0.164 1.00 11.46 ? 72 LEU A C 1 ATOM 606 O O . LEU A 1 72 ? -12.576 2.490 1.329 1.00 11.30 ? 72 LEU A O 1 ATOM 607 C CB . LEU A 1 72 ? -14.054 1.253 -1.331 1.00 11.04 ? 72 LEU A CB 1 ATOM 608 C CG . LEU A 1 72 ? -14.141 0.330 -2.570 1.00 11.64 ? 72 LEU A CG 1 ATOM 609 C CD1 . LEU A 1 72 ? -13.710 -1.096 -2.243 1.00 12.21 ? 72 LEU A CD1 1 ATOM 610 C CD2 . LEU A 1 72 ? -15.525 0.350 -3.166 1.00 12.38 ? 72 LEU A CD2 1 ATOM 611 N N . LEU A 1 73 ? -13.313 4.004 -0.177 1.00 11.26 ? 73 LEU A N 1 ATOM 612 C CA . LEU A 1 73 ? -13.588 5.019 0.831 1.00 11.46 ? 73 LEU A CA 1 ATOM 613 C C . LEU A 1 73 ? -15.103 5.199 0.851 1.00 10.80 ? 73 LEU A C 1 ATOM 614 O O . LEU A 1 73 ? -15.685 5.428 -0.207 1.00 10.96 ? 73 LEU A O 1 ATOM 615 C CB . LEU A 1 73 ? -12.887 6.338 0.481 1.00 12.23 ? 73 LEU A CB 1 ATOM 616 C CG . LEU A 1 73 ? -13.162 7.516 1.421 1.00 12.58 ? 73 LEU A CG 1 ATOM 617 C CD1 . LEU A 1 73 ? -12.687 7.185 2.834 1.00 13.30 ? 73 LEU A CD1 1 ATOM 618 C CD2 . LEU A 1 73 ? -12.411 8.745 0.899 1.00 14.35 ? 73 LEU A CD2 1 ATOM 619 N N . SER A 1 74 ? -15.724 5.083 2.030 1.00 10.70 ? 74 SER A N 1 ATOM 620 C CA . SER A 1 74 ? -17.181 5.202 2.155 1.00 10.99 ? 74 SER A CA 1 ATOM 621 C C . SER A 1 74 ? -17.527 6.628 2.548 1.00 12.06 ? 74 SER A C 1 ATOM 622 O O . SER A 1 74 ? -16.993 7.142 3.541 1.00 12.93 ? 74 SER A O 1 ATOM 623 C CB . SER A 1 74 ? -17.713 4.244 3.250 1.00 11.85 ? 74 SER A CB 1 ATOM 624 O OG . SER A 1 74 ? -19.146 4.188 3.275 1.00 12.23 ? 74 SER A OG 1 ATOM 625 N N . VAL A 1 75 ? -18.461 7.223 1.821 1.00 13.15 ? 75 VAL A N 1 ATOM 626 C CA . VAL A 1 75 ? -18.888 8.573 2.122 1.00 15.66 ? 75 VAL A CA 1 ATOM 627 C C . VAL A 1 75 ? -20.298 8.520 2.733 1.00 16.71 ? 75 VAL A C 1 ATOM 628 O O . VAL A 1 75 ? -21.164 7.765 2.289 1.00 15.86 ? 75 VAL A O 1 ATOM 629 C CB . VAL A 1 75 ? -18.808 9.452 0.858 1.00 16.67 ? 75 VAL A CB 1 ATOM 630 C CG1 . VAL A 1 75 ? -19.812 8.953 -0.222 1.00 16.03 ? 75 VAL A CG1 1 ATOM 631 C CG2 . VAL A 1 75 ? -19.064 10.903 1.210 1.00 18.39 ? 75 VAL A CG2 1 ATOM 632 N N . GLY A 1 76 ? -20.489 9.300 3.799 1.00 18.61 ? 76 GLY A N 1 ATOM 633 C CA . GLY A 1 76 ? -21.756 9.333 4.489 1.00 19.59 ? 76 GLY A CA 1 ATOM 634 C C . GLY A 1 76 ? -21.719 8.837 5.926 1.00 19.51 ? 76 GLY A C 1 ATOM 635 O O . GLY A 1 76 ? -20.947 9.339 6.751 1.00 18.63 ? 76 GLY A O 1 ATOM 636 N N . GLY A 1 77 ? -22.533 7.828 6.228 1.00 20.48 ? 77 GLY A N 1 ATOM 637 C CA . GLY A 1 77 ? -22.678 7.345 7.603 1.00 22.80 ? 77 GLY A CA 1 ATOM 638 C C . GLY A 1 77 ? -23.774 8.090 8.377 1.00 24.39 ? 77 GLY A C 1 ATOM 639 O O . GLY A 1 77 ? -24.422 8.942 7.824 1.00 23.98 ? 77 GLY A O 1 ATOM 640 N N . TRP A 1 78 ? -23.994 7.757 9.649 1.00 27.82 ? 78 TRP A N 1 ATOM 641 C CA . TRP A 1 78 ? -25.066 8.390 10.446 1.00 30.01 ? 78 TRP A CA 1 ATOM 642 C C . TRP A 1 78 ? -24.706 9.774 11.008 1.00 31.40 ? 78 TRP A C 1 ATOM 643 O O . TRP A 1 78 ? -25.592 10.628 11.185 1.00 32.31 ? 78 TRP A O 1 ATOM 644 C CB . TRP A 1 78 ? -25.553 7.462 11.571 1.00 30.51 ? 78 TRP A CB 1 ATOM 645 C CG . TRP A 1 78 ? -24.440 7.025 12.460 1.00 31.72 ? 78 TRP A CG 1 ATOM 646 C CD1 . TRP A 1 78 ? -23.999 7.650 13.597 1.00 33.68 ? 78 TRP A CD1 1 ATOM 647 C CD2 . TRP A 1 78 ? -23.606 5.874 12.287 1.00 31.83 ? 78 TRP A CD2 1 ATOM 648 N NE1 . TRP A 1 78 ? -22.940 6.960 14.138 1.00 34.03 ? 78 TRP A NE1 1 ATOM 649 C CE2 . TRP A 1 78 ? -22.678 5.863 13.354 1.00 32.08 ? 78 TRP A CE2 1 ATOM 650 C CE3 . TRP A 1 78 ? -23.551 4.842 11.343 1.00 31.47 ? 78 TRP A CE3 1 ATOM 651 C CZ2 . TRP A 1 78 ? -21.706 4.873 13.494 1.00 32.44 ? 78 TRP A CZ2 1 ATOM 652 C CZ3 . TRP A 1 78 ? -22.586 3.856 11.485 1.00 31.54 ? 78 TRP A CZ3 1 ATOM 653 C CH2 . TRP A 1 78 ? -21.679 3.878 12.553 1.00 31.21 ? 78 TRP A CH2 1 ATOM 654 N N . ASN A 1 79 ? -23.421 10.011 11.273 1.00 32.17 ? 79 ASN A N 1 ATOM 655 C CA . ASN A 1 79 ? -23.004 11.339 11.722 1.00 32.99 ? 79 ASN A CA 1 ATOM 656 C C . ASN A 1 79 ? -23.258 12.394 10.647 1.00 32.51 ? 79 ASN A C 1 ATOM 657 O O . ASN A 1 79 ? -23.783 13.473 10.928 1.00 33.01 ? 79 ASN A O 1 ATOM 658 C CB . ASN A 1 79 ? -21.564 11.331 12.184 1.00 33.29 ? 79 ASN A CB 1 ATOM 659 C CG . ASN A 1 79 ? -21.450 11.128 13.671 1.00 37.39 ? 79 ASN A CG 1 ATOM 660 O OD1 . ASN A 1 79 ? -22.461 11.154 14.389 1.00 39.24 ? 79 ASN A OD1 1 ATOM 661 N ND2 . ASN A 1 79 ? -20.220 10.929 14.155 1.00 39.82 ? 79 ASN A ND2 1 ATOM 662 N N . PHE A 1 80 ? -22.878 12.079 9.417 1.00 31.86 ? 80 PHE A N 1 ATOM 663 C CA . PHE A 1 80 ? -23.258 12.847 8.248 1.00 31.16 ? 80 PHE A CA 1 ATOM 664 C C . PHE A 1 80 ? -24.792 12.700 8.155 1.00 30.12 ? 80 PHE A C 1 ATOM 665 O O . PHE A 1 80 ? -25.287 11.606 8.031 1.00 30.59 ? 80 PHE A O 1 ATOM 666 C CB . PHE A 1 80 ? -22.611 12.163 7.027 1.00 31.14 ? 80 PHE A CB 1 ATOM 667 C CG . PHE A 1 80 ? -22.595 13.000 5.796 1.00 31.10 ? 80 PHE A CG 1 ATOM 668 C CD1 . PHE A 1 80 ? -21.571 13.899 5.567 1.00 30.06 ? 80 PHE A CD1 1 ATOM 669 C CD2 . PHE A 1 80 ? -23.603 12.883 4.854 1.00 26.85 ? 80 PHE A CD2 1 ATOM 670 C CE1 . PHE A 1 80 ? -21.574 14.686 4.420 1.00 30.15 ? 80 PHE A CE1 1 ATOM 671 C CE2 . PHE A 1 80 ? -23.609 13.645 3.728 1.00 27.92 ? 80 PHE A CE2 1 ATOM 672 C CZ . PHE A 1 80 ? -22.588 14.549 3.494 1.00 28.89 ? 80 PHE A CZ 1 ATOM 673 N N . GLY A 1 81 ? -25.571 13.771 8.217 1.00 29.83 ? 81 GLY A N 1 ATOM 674 C CA . GLY A 1 81 ? -27.031 13.561 8.159 1.00 29.53 ? 81 GLY A CA 1 ATOM 675 C C . GLY A 1 81 ? -27.584 13.228 6.768 1.00 28.98 ? 81 GLY A C 1 ATOM 676 O O . GLY A 1 81 ? -27.104 13.821 5.800 1.00 28.82 ? 81 GLY A O 1 ATOM 677 N N . PRO A 1 82 ? -28.592 12.339 6.628 1.00 27.49 ? 82 PRO A N 1 ATOM 678 C CA . PRO A 1 82 ? -29.098 12.006 5.284 1.00 27.04 ? 82 PRO A CA 1 ATOM 679 C C . PRO A 1 82 ? -29.573 13.252 4.539 1.00 26.37 ? 82 PRO A C 1 ATOM 680 O O . PRO A 1 82 ? -29.553 13.307 3.315 1.00 25.99 ? 82 PRO A O 1 ATOM 681 C CB . PRO A 1 82 ? -30.264 11.040 5.548 1.00 26.87 ? 82 PRO A CB 1 ATOM 682 C CG . PRO A 1 82 ? -30.612 11.209 6.993 1.00 26.35 ? 82 PRO A CG 1 ATOM 683 C CD . PRO A 1 82 ? -29.344 11.651 7.697 1.00 27.10 ? 82 PRO A CD 1 ATOM 684 N N . GLU A 1 83 ? -29.959 14.269 5.302 1.00 27.52 ? 83 GLU A N 1 ATOM 685 C CA . GLU A 1 83 ? -30.385 15.541 4.745 1.00 27.63 ? 83 GLU A CA 1 ATOM 686 C C . GLU A 1 83 ? -29.268 16.147 3.888 1.00 26.46 ? 83 GLU A C 1 ATOM 687 O O . GLU A 1 83 ? -29.516 16.693 2.819 1.00 25.46 ? 83 GLU A O 1 ATOM 688 C CB . GLU A 1 83 ? -30.794 16.486 5.895 1.00 28.12 ? 83 GLU A CB 1 ATOM 689 C CG . GLU A 1 83 ? -31.842 15.885 6.835 1.00 32.61 ? 83 GLU A CG 1 ATOM 690 C CD . GLU A 1 83 ? -31.241 15.032 7.950 1.00 38.61 ? 83 GLU A CD 1 ATOM 691 O OE1 . GLU A 1 83 ? -29.997 14.915 8.008 1.00 39.31 ? 83 GLU A OE1 1 ATOM 692 O OE2 . GLU A 1 83 ? -32.013 14.490 8.783 1.00 42.58 ? 83 GLU A OE2 1 ATOM 693 N N . ARG A 1 84 ? -28.028 16.013 4.354 1.00 27.03 ? 84 ARG A N 1 ATOM 694 C CA . ARG A 1 84 ? -26.886 16.507 3.582 1.00 26.38 ? 84 ARG A CA 1 ATOM 695 C C . ARG A 1 84 ? -26.764 15.810 2.216 1.00 25.59 ? 84 ARG A C 1 ATOM 696 O O . ARG A 1 84 ? -26.534 16.471 1.196 1.00 25.33 ? 84 ARG A O 1 ATOM 697 C CB . ARG A 1 84 ? -25.589 16.473 4.416 1.00 27.43 ? 84 ARG A CB 1 ATOM 698 C CG . ARG A 1 84 ? -25.669 17.369 5.661 1.00 28.21 ? 84 ARG A CG 1 ATOM 699 C CD . ARG A 1 84 ? -24.472 17.322 6.587 1.00 31.80 ? 84 ARG A CD 1 ATOM 700 N NE . ARG A 1 84 ? -23.228 17.597 5.873 1.00 30.31 ? 84 ARG A NE 1 ATOM 701 C CZ . ARG A 1 84 ? -22.029 17.302 6.349 1.00 31.22 ? 84 ARG A CZ 1 ATOM 702 N NH1 . ARG A 1 84 ? -21.888 16.722 7.541 1.00 32.41 ? 84 ARG A NH1 1 ATOM 703 N NH2 . ARG A 1 84 ? -20.967 17.583 5.629 1.00 26.27 ? 84 ARG A NH2 1 ATOM 704 N N . PHE A 1 85 ? -26.914 14.484 2.195 1.00 24.46 ? 85 PHE A N 1 ATOM 705 C CA . PHE A 1 85 ? -26.968 13.756 0.944 1.00 24.56 ? 85 PHE A CA 1 ATOM 706 C C . PHE A 1 85 ? -28.086 14.193 0.016 1.00 24.03 ? 85 PHE A C 1 ATOM 707 O O . PHE A 1 85 ? -27.883 14.306 -1.183 1.00 24.14 ? 85 PHE A O 1 ATOM 708 C CB . PHE A 1 85 ? -27.087 12.265 1.217 1.00 24.16 ? 85 PHE A CB 1 ATOM 709 C CG . PHE A 1 85 ? -25.825 11.508 0.987 1.00 22.76 ? 85 PHE A CG 1 ATOM 710 C CD1 . PHE A 1 85 ? -25.289 11.403 -0.286 1.00 22.38 ? 85 PHE A CD1 1 ATOM 711 C CD2 . PHE A 1 85 ? -25.194 10.872 2.037 1.00 21.05 ? 85 PHE A CD2 1 ATOM 712 C CE1 . PHE A 1 85 ? -24.117 10.689 -0.492 1.00 25.75 ? 85 PHE A CE1 1 ATOM 713 C CE2 . PHE A 1 85 ? -24.033 10.170 1.826 1.00 25.87 ? 85 PHE A CE2 1 ATOM 714 C CZ . PHE A 1 85 ? -23.532 10.065 0.559 1.00 24.31 ? 85 PHE A CZ 1 ATOM 715 N N A SER A 1 86 ? -29.286 14.402 0.567 0.50 24.10 ? 86 SER A N 1 ATOM 716 N N B SER A 1 86 ? -29.295 14.406 0.561 0.50 24.27 ? 86 SER A N 1 ATOM 717 C CA A SER A 1 86 ? -30.420 14.800 -0.245 0.50 24.07 ? 86 SER A CA 1 ATOM 718 C CA B SER A 1 86 ? -30.428 14.814 -0.263 0.50 24.46 ? 86 SER A CA 1 ATOM 719 C C A SER A 1 86 ? -30.175 16.112 -0.986 0.50 24.08 ? 86 SER A C 1 ATOM 720 C C B SER A 1 86 ? -30.149 16.105 -0.998 0.50 24.17 ? 86 SER A C 1 ATOM 721 O O A SER A 1 86 ? -30.498 16.234 -2.157 0.50 24.50 ? 86 SER A O 1 ATOM 722 O O B SER A 1 86 ? -30.418 16.209 -2.184 0.50 24.57 ? 86 SER A O 1 ATOM 723 C CB A SER A 1 86 ? -31.708 14.891 0.606 0.50 23.69 ? 86 SER A CB 1 ATOM 724 C CB B SER A 1 86 ? -31.735 14.948 0.561 0.50 24.21 ? 86 SER A CB 1 ATOM 725 O OG A SER A 1 86 ? -32.774 15.324 -0.194 0.50 23.05 ? 86 SER A OG 1 ATOM 726 O OG B SER A 1 86 ? -31.903 13.813 1.384 0.50 25.73 ? 86 SER A OG 1 ATOM 727 N N . LYS A 1 87 ? -29.599 17.085 -0.283 1.00 24.96 ? 87 LYS A N 1 ATOM 728 C CA . LYS A 1 87 ? -29.313 18.406 -0.841 1.00 25.91 ? 87 LYS A CA 1 ATOM 729 C C . LYS A 1 87 ? -28.360 18.303 -2.001 1.00 25.40 ? 87 LYS A C 1 ATOM 730 O O . LYS A 1 87 ? -28.588 18.905 -3.045 1.00 26.14 ? 87 LYS A O 1 ATOM 731 C CB . LYS A 1 87 ? -28.758 19.311 0.271 1.00 26.58 ? 87 LYS A CB 1 ATOM 732 C CG . LYS A 1 87 ? -28.449 20.747 -0.108 1.00 30.07 ? 87 LYS A CG 1 ATOM 733 C CD . LYS A 1 87 ? -27.918 21.523 1.109 1.00 34.51 ? 87 LYS A CD 1 ATOM 734 C CE . LYS A 1 87 ? -27.787 23.023 0.842 1.00 36.46 ? 87 LYS A CE 1 ATOM 735 N NZ . LYS A 1 87 ? -26.893 23.705 1.846 1.00 39.68 ? 87 LYS A NZ 1 ATOM 736 N N . ILE A 1 88 ? -27.304 17.506 -1.826 1.00 25.63 ? 88 ILE A N 1 ATOM 737 C CA . ILE A 1 88 ? -26.314 17.327 -2.884 1.00 25.09 ? 88 ILE A CA 1 ATOM 738 C C . ILE A 1 88 ? -26.889 16.605 -4.086 1.00 24.35 ? 88 ILE A C 1 ATOM 739 O O . ILE A 1 88 ? -26.766 17.061 -5.219 1.00 24.49 ? 88 ILE A O 1 ATOM 740 C CB . ILE A 1 88 ? -25.107 16.541 -2.338 1.00 25.97 ? 88 ILE A CB 1 ATOM 741 C CG1 . ILE A 1 88 ? -24.308 17.407 -1.376 1.00 27.92 ? 88 ILE A CG1 1 ATOM 742 C CG2 . ILE A 1 88 ? -24.207 16.059 -3.488 1.00 24.97 ? 88 ILE A CG2 1 ATOM 743 C CD1 . ILE A 1 88 ? -23.611 16.605 -0.310 1.00 32.45 ? 88 ILE A CD1 1 ATOM 744 N N . ALA A 1 89 ? -27.558 15.480 -3.835 1.00 24.01 ? 89 ALA A N 1 ATOM 745 C CA . ALA A 1 89 ? -28.059 14.649 -4.897 1.00 23.28 ? 89 ALA A CA 1 ATOM 746 C C . ALA A 1 89 ? -29.244 15.210 -5.685 1.00 23.25 ? 89 ALA A C 1 ATOM 747 O O . ALA A 1 89 ? -29.429 14.871 -6.836 1.00 22.78 ? 89 ALA A O 1 ATOM 748 C CB . ALA A 1 89 ? -28.423 13.235 -4.337 1.00 23.82 ? 89 ALA A CB 1 ATOM 749 N N A SER A 1 90 ? -29.980 16.122 -5.055 0.50 23.38 ? 90 SER A N 1 ATOM 750 N N B SER A 1 90 ? -30.011 16.099 -5.062 0.50 23.31 ? 90 SER A N 1 ATOM 751 C CA A SER A 1 90 ? -31.231 16.655 -5.591 0.50 23.37 ? 90 SER A CA 1 ATOM 752 C CA B SER A 1 90 ? -31.239 16.597 -5.674 0.50 23.14 ? 90 SER A CA 1 ATOM 753 C C A SER A 1 90 ? -31.094 17.808 -6.589 0.50 23.20 ? 90 SER A C 1 ATOM 754 C C B SER A 1 90 ? -31.060 17.697 -6.715 0.50 23.21 ? 90 SER A C 1 ATOM 755 O O A SER A 1 90 ? -32.095 18.277 -7.121 0.50 23.13 ? 90 SER A O 1 ATOM 756 O O B SER A 1 90 ? -31.988 17.969 -7.483 0.50 23.23 ? 90 SER A O 1 ATOM 757 C CB A SER A 1 90 ? -32.113 17.120 -4.426 0.50 23.76 ? 90 SER A CB 1 ATOM 758 C CB B SER A 1 90 ? -32.234 17.048 -4.603 0.50 23.55 ? 90 SER A CB 1 ATOM 759 O OG A SER A 1 90 ? -32.525 16.027 -3.621 0.50 24.21 ? 90 SER A OG 1 ATOM 760 O OG B SER A 1 90 ? -31.678 18.057 -3.784 0.50 22.48 ? 90 SER A OG 1 ATOM 761 N N . LYS A 1 91 ? -29.866 18.278 -6.769 1.00 22.36 ? 91 LYS A N 1 ATOM 762 C CA . LYS A 1 91 ? -29.597 19.358 -7.703 1.00 22.20 ? 91 LYS A CA 1 ATOM 763 C C . LYS A 1 91 ? -28.512 18.951 -8.673 1.00 22.02 ? 91 LYS A C 1 ATOM 764 O O . LYS A 1 91 ? -27.484 18.419 -8.257 1.00 22.36 ? 91 LYS A O 1 ATOM 765 C CB . LYS A 1 91 ? -29.146 20.607 -6.941 1.00 21.51 ? 91 LYS A CB 1 ATOM 766 C CG . LYS A 1 91 ? -30.187 21.180 -5.997 1.00 22.75 ? 91 LYS A CG 1 ATOM 767 C CD . LYS A 1 91 ? -29.741 22.518 -5.420 1.00 23.27 ? 91 LYS A CD 1 ATOM 768 C CE . LYS A 1 91 ? -28.361 22.458 -4.796 1.00 27.27 ? 91 LYS A CE 1 ATOM 769 N NZ . LYS A 1 91 ? -28.300 21.653 -3.564 1.00 29.66 ? 91 LYS A NZ 1 ATOM 770 N N . THR A 1 92 ? -28.736 19.207 -9.956 1.00 22.70 ? 92 THR A N 1 ATOM 771 C CA . THR A 1 92 ? -27.796 18.841 -11.007 1.00 23.54 ? 92 THR A CA 1 ATOM 772 C C . THR A 1 92 ? -26.393 19.397 -10.751 1.00 23.78 ? 92 THR A C 1 ATOM 773 O O . THR A 1 92 ? -25.377 18.701 -10.941 1.00 23.71 ? 92 THR A O 1 ATOM 774 C CB . THR A 1 92 ? -28.328 19.324 -12.381 1.00 24.72 ? 92 THR A CB 1 ATOM 775 O OG1 . THR A 1 92 ? -29.490 18.559 -12.731 1.00 26.33 ? 92 THR A OG1 1 ATOM 776 C CG2 . THR A 1 92 ? -27.336 18.997 -13.499 1.00 27.52 ? 92 THR A CG2 1 ATOM 777 N N . GLN A 1 93 ? -26.334 20.636 -10.281 1.00 22.80 ? 93 GLN A N 1 ATOM 778 C CA . GLN A 1 93 ? -25.053 21.316 -10.092 1.00 22.92 ? 93 GLN A CA 1 ATOM 779 C C . GLN A 1 93 ? -24.247 20.748 -8.935 1.00 22.18 ? 93 GLN A C 1 ATOM 780 O O . GLN A 1 93 ? -23.049 20.511 -9.073 1.00 22.33 ? 93 GLN A O 1 ATOM 781 C CB . GLN A 1 93 ? -25.278 22.833 -9.925 1.00 23.68 ? 93 GLN A CB 1 ATOM 782 C CG . GLN A 1 93 ? -24.014 23.694 -9.783 1.00 29.74 ? 93 GLN A CG 1 ATOM 783 C CD . GLN A 1 93 ? -24.320 25.206 -9.943 1.00 36.45 ? 93 GLN A CD 1 ATOM 784 O OE1 . GLN A 1 93 ? -25.268 25.730 -9.341 1.00 40.26 ? 93 GLN A OE1 1 ATOM 785 N NE2 . GLN A 1 93 ? -23.529 25.888 -10.763 1.00 39.22 ? 93 GLN A NE2 1 ATOM 786 N N . SER A 1 94 ? -24.893 20.532 -7.800 1.00 20.41 ? 94 SER A N 1 ATOM 787 C CA . SER A 1 94 ? -24.182 20.047 -6.622 1.00 20.22 ? 94 SER A CA 1 ATOM 788 C C . SER A 1 94 ? -23.780 18.592 -6.842 1.00 19.55 ? 94 SER A C 1 ATOM 789 O O . SER A 1 94 ? -22.722 18.155 -6.369 1.00 19.39 ? 94 SER A O 1 ATOM 790 C CB . SER A 1 94 ? -25.030 20.209 -5.370 1.00 21.28 ? 94 SER A CB 1 ATOM 791 O OG . SER A 1 94 ? -26.324 19.647 -5.570 1.00 21.68 ? 94 SER A OG 1 ATOM 792 N N . ARG A 1 95 ? -24.619 17.862 -7.572 1.00 19.31 ? 95 ARG A N 1 ATOM 793 C CA . ARG A 1 95 ? -24.328 16.457 -7.858 1.00 19.33 ? 95 ARG A CA 1 ATOM 794 C C . ARG A 1 95 ? -23.063 16.390 -8.696 1.00 19.34 ? 95 ARG A C 1 ATOM 795 O O . ARG A 1 95 ? -22.158 15.585 -8.415 1.00 19.77 ? 95 ARG A O 1 ATOM 796 C CB . ARG A 1 95 ? -25.518 15.838 -8.604 1.00 20.52 ? 95 ARG A CB 1 ATOM 797 C CG . ARG A 1 95 ? -25.611 14.328 -8.533 1.00 22.34 ? 95 ARG A CG 1 ATOM 798 C CD . ARG A 1 95 ? -27.010 13.811 -8.848 1.00 21.83 ? 95 ARG A CD 1 ATOM 799 N NE . ARG A 1 95 ? -27.363 14.066 -10.219 1.00 22.84 ? 95 ARG A NE 1 ATOM 800 C CZ . ARG A 1 95 ? -28.491 14.648 -10.616 1.00 25.36 ? 95 ARG A CZ 1 ATOM 801 N NH1 . ARG A 1 95 ? -29.402 15.044 -9.728 1.00 27.72 ? 95 ARG A NH1 1 ATOM 802 N NH2 . ARG A 1 95 ? -28.715 14.813 -11.905 1.00 27.63 ? 95 ARG A NH2 1 ATOM 803 N N . ARG A 1 96 ? -22.984 17.253 -9.713 1.00 18.64 ? 96 ARG A N 1 ATOM 804 C CA . ARG A 1 96 ? -21.831 17.287 -10.603 1.00 19.35 ? 96 ARG A CA 1 ATOM 805 C C . ARG A 1 96 ? -20.564 17.661 -9.834 1.00 18.82 ? 96 ARG A C 1 ATOM 806 O O . ARG A 1 96 ? -19.503 17.033 -10.006 1.00 18.12 ? 96 ARG A O 1 ATOM 807 C CB . ARG A 1 96 ? -22.085 18.277 -11.759 1.00 19.91 ? 96 ARG A CB 1 ATOM 808 C CG . ARG A 1 96 ? -20.888 18.482 -12.704 1.00 22.25 ? 96 ARG A CG 1 ATOM 809 C CD . ARG A 1 96 ? -20.405 17.223 -13.414 1.00 24.68 ? 96 ARG A CD 1 ATOM 810 N NE . ARG A 1 96 ? -19.114 17.433 -14.082 1.00 30.16 ? 96 ARG A NE 1 ATOM 811 C CZ . ARG A 1 96 ? -18.277 16.454 -14.419 1.00 30.60 ? 96 ARG A CZ 1 ATOM 812 N NH1 . ARG A 1 96 ? -18.587 15.183 -14.155 1.00 30.17 ? 96 ARG A NH1 1 ATOM 813 N NH2 . ARG A 1 96 ? -17.121 16.744 -15.001 1.00 33.50 ? 96 ARG A NH2 1 ATOM 814 N N . THR A 1 97 ? -20.651 18.687 -9.000 1.00 18.20 ? 97 THR A N 1 ATOM 815 C CA . THR A 1 97 ? -19.511 19.113 -8.223 1.00 18.07 ? 97 THR A CA 1 ATOM 816 C C . THR A 1 97 ? -18.959 17.957 -7.396 1.00 17.72 ? 97 THR A C 1 ATOM 817 O O . THR A 1 97 ? -17.737 17.710 -7.362 1.00 17.18 ? 97 THR A O 1 ATOM 818 C CB . THR A 1 97 ? -19.910 20.269 -7.320 1.00 19.40 ? 97 THR A CB 1 ATOM 819 O OG1 . THR A 1 97 ? -20.269 21.388 -8.163 1.00 19.75 ? 97 THR A OG1 1 ATOM 820 C CG2 . THR A 1 97 ? -18.708 20.728 -6.499 1.00 20.18 ? 97 THR A CG2 1 ATOM 821 N N . PHE A 1 98 ? -19.877 17.245 -6.761 1.00 16.90 ? 98 PHE A N 1 ATOM 822 C CA . PHE A 1 98 ? -19.481 16.140 -5.903 1.00 15.01 ? 98 PHE A CA 1 ATOM 823 C C . PHE A 1 98 ? -18.839 15.031 -6.716 1.00 15.28 ? 98 PHE A C 1 ATOM 824 O O . PHE A 1 98 ? -17.741 14.545 -6.377 1.00 15.44 ? 98 PHE A O 1 ATOM 825 C CB . PHE A 1 98 ? -20.701 15.608 -5.118 1.00 15.45 ? 98 PHE A CB 1 ATOM 826 C CG . PHE A 1 98 ? -20.396 14.370 -4.320 1.00 15.46 ? 98 PHE A CG 1 ATOM 827 C CD1 . PHE A 1 98 ? -19.365 14.370 -3.390 1.00 17.55 ? 98 PHE A CD1 1 ATOM 828 C CD2 . PHE A 1 98 ? -21.127 13.200 -4.513 1.00 16.58 ? 98 PHE A CD2 1 ATOM 829 C CE1 . PHE A 1 98 ? -19.065 13.209 -2.658 1.00 18.89 ? 98 PHE A CE1 1 ATOM 830 C CE2 . PHE A 1 98 ? -20.838 12.058 -3.764 1.00 15.90 ? 98 PHE A CE2 1 ATOM 831 C CZ . PHE A 1 98 ? -19.801 12.065 -2.867 1.00 17.65 ? 98 PHE A CZ 1 ATOM 832 N N . ILE A 1 99 ? -19.502 14.643 -7.794 1.00 14.62 ? 99 ILE A N 1 ATOM 833 C CA . ILE A 1 99 ? -18.975 13.582 -8.634 1.00 15.54 ? 99 ILE A CA 1 ATOM 834 C C . ILE A 1 99 ? -17.583 13.911 -9.172 1.00 15.66 ? 99 ILE A C 1 ATOM 835 O O . ILE A 1 99 ? -16.667 13.059 -9.157 1.00 15.63 ? 99 ILE A O 1 ATOM 836 C CB . ILE A 1 99 ? -19.965 13.280 -9.762 1.00 14.60 ? 99 ILE A CB 1 ATOM 837 C CG1 . ILE A 1 99 ? -21.173 12.551 -9.179 1.00 15.71 ? 99 ILE A CG1 1 ATOM 838 C CG2 . ILE A 1 99 ? -19.315 12.454 -10.861 1.00 16.52 ? 99 ILE A CG2 1 ATOM 839 C CD1 . ILE A 1 99 ? -22.404 12.493 -10.153 1.00 17.21 ? 99 ILE A CD1 1 ATOM 840 N N . LYS A 1 100 ? -17.406 15.144 -9.650 1.00 16.09 ? 100 LYS A N 1 ATOM 841 C CA . LYS A 1 100 ? -16.113 15.516 -10.228 1.00 17.42 ? 100 LYS A CA 1 ATOM 842 C C . LYS A 1 100 ? -15.003 15.438 -9.181 1.00 16.28 ? 100 LYS A C 1 ATOM 843 O O . LYS A 1 100 ? -13.853 15.128 -9.506 1.00 16.61 ? 100 LYS A O 1 ATOM 844 C CB . LYS A 1 100 ? -16.176 16.941 -10.838 1.00 18.42 ? 100 LYS A CB 1 ATOM 845 C CG . LYS A 1 100 ? -15.058 17.245 -11.841 1.00 24.71 ? 100 LYS A CG 1 ATOM 846 C CD . LYS A 1 100 ? -15.301 18.556 -12.597 1.00 29.95 ? 100 LYS A CD 1 ATOM 847 C CE . LYS A 1 100 ? -14.108 18.869 -13.533 1.00 32.11 ? 100 LYS A CE 1 ATOM 848 N NZ . LYS A 1 100 ? -12.863 19.099 -12.740 1.00 36.16 ? 100 LYS A NZ 1 ATOM 849 N N . SER A 1 101 ? -15.341 15.669 -7.918 1.00 15.73 ? 101 SER A N 1 ATOM 850 C CA . SER A 1 101 ? -14.330 15.755 -6.877 1.00 15.64 ? 101 SER A CA 1 ATOM 851 C C . SER A 1 101 ? -13.835 14.378 -6.478 1.00 14.81 ? 101 SER A C 1 ATOM 852 O O . SER A 1 101 ? -12.771 14.266 -5.861 1.00 15.60 ? 101 SER A O 1 ATOM 853 C CB . SER A 1 101 ? -14.876 16.425 -5.604 1.00 15.94 ? 101 SER A CB 1 ATOM 854 O OG . SER A 1 101 ? -15.718 15.546 -4.842 1.00 16.05 ? 101 SER A OG 1 ATOM 855 N N . VAL A 1 102 ? -14.626 13.351 -6.788 1.00 14.56 ? 102 VAL A N 1 ATOM 856 C CA . VAL A 1 102 ? -14.321 12.028 -6.222 1.00 13.28 ? 102 VAL A CA 1 ATOM 857 C C . VAL A 1 102 ? -13.057 11.336 -6.777 1.00 13.75 ? 102 VAL A C 1 ATOM 858 O O . VAL A 1 102 ? -12.175 10.974 -6.002 1.00 13.49 ? 102 VAL A O 1 ATOM 859 C CB . VAL A 1 102 ? -15.561 11.108 -6.174 1.00 12.72 ? 102 VAL A CB 1 ATOM 860 C CG1 . VAL A 1 102 ? -15.149 9.660 -5.882 1.00 13.93 ? 102 VAL A CG1 1 ATOM 861 C CG2 . VAL A 1 102 ? -16.565 11.604 -5.087 1.00 13.89 ? 102 VAL A CG2 1 ATOM 862 N N . PRO A 1 103 ? -12.948 11.141 -8.084 1.00 14.35 ? 103 PRO A N 1 ATOM 863 C CA . PRO A 1 103 ? -11.773 10.408 -8.594 1.00 14.62 ? 103 PRO A CA 1 ATOM 864 C C . PRO A 1 103 ? -10.439 11.010 -8.177 1.00 15.88 ? 103 PRO A C 1 ATOM 865 O O . PRO A 1 103 ? -9.560 10.263 -7.698 1.00 14.76 ? 103 PRO A O 1 ATOM 866 C CB . PRO A 1 103 ? -11.993 10.391 -10.118 1.00 14.30 ? 103 PRO A CB 1 ATOM 867 C CG . PRO A 1 103 ? -13.527 10.433 -10.231 1.00 14.48 ? 103 PRO A CG 1 ATOM 868 C CD . PRO A 1 103 ? -13.916 11.459 -9.153 1.00 14.98 ? 103 PRO A CD 1 ATOM 869 N N . PRO A 1 104 ? -10.221 12.322 -8.316 1.00 15.54 ? 104 PRO A N 1 ATOM 870 C CA . PRO A 1 104 ? -8.898 12.841 -7.922 1.00 16.05 ? 104 PRO A CA 1 ATOM 871 C C . PRO A 1 104 ? -8.576 12.613 -6.457 1.00 14.92 ? 104 PRO A C 1 ATOM 872 O O . PRO A 1 104 ? -7.421 12.337 -6.124 1.00 16.04 ? 104 PRO A O 1 ATOM 873 C CB . PRO A 1 104 ? -8.985 14.342 -8.210 1.00 16.54 ? 104 PRO A CB 1 ATOM 874 C CG . PRO A 1 104 ? -10.119 14.476 -9.154 1.00 18.37 ? 104 PRO A CG 1 ATOM 875 C CD . PRO A 1 104 ? -11.112 13.348 -8.902 1.00 16.91 ? 104 PRO A CD 1 ATOM 876 N N . PHE A 1 105 ? -9.583 12.696 -5.584 1.00 14.65 ? 105 PHE A N 1 ATOM 877 C CA . PHE A 1 105 ? -9.361 12.491 -4.167 1.00 13.79 ? 105 PHE A CA 1 ATOM 878 C C . PHE A 1 105 ? -9.009 11.017 -3.917 1.00 13.47 ? 105 PHE A C 1 ATOM 879 O O . PHE A 1 105 ? -8.089 10.702 -3.149 1.00 14.14 ? 105 PHE A O 1 ATOM 880 C CB . PHE A 1 105 ? -10.620 12.872 -3.400 1.00 13.14 ? 105 PHE A CB 1 ATOM 881 C CG . PHE A 1 105 ? -10.454 12.885 -1.905 1.00 13.37 ? 105 PHE A CG 1 ATOM 882 C CD1 . PHE A 1 105 ? -10.025 14.021 -1.235 1.00 17.10 ? 105 PHE A CD1 1 ATOM 883 C CD2 . PHE A 1 105 ? -10.768 11.751 -1.156 1.00 12.72 ? 105 PHE A CD2 1 ATOM 884 C CE1 . PHE A 1 105 ? -9.905 14.032 0.136 1.00 14.61 ? 105 PHE A CE1 1 ATOM 885 C CE2 . PHE A 1 105 ? -10.636 11.762 0.224 1.00 13.80 ? 105 PHE A CE2 1 ATOM 886 C CZ . PHE A 1 105 ? -10.212 12.904 0.869 1.00 15.62 ? 105 PHE A CZ 1 ATOM 887 N N . LEU A 1 106 ? -9.749 10.111 -4.552 1.00 13.19 ? 106 LEU A N 1 ATOM 888 C CA . LEU A 1 106 ? -9.439 8.692 -4.348 1.00 12.81 ? 106 LEU A CA 1 ATOM 889 C C . LEU A 1 106 ? -8.047 8.357 -4.849 1.00 13.07 ? 106 LEU A C 1 ATOM 890 O O . LEU A 1 106 ? -7.312 7.594 -4.213 1.00 12.73 ? 106 LEU A O 1 ATOM 891 C CB . LEU A 1 106 ? -10.466 7.787 -5.035 1.00 12.12 ? 106 LEU A CB 1 ATOM 892 C CG . LEU A 1 106 ? -11.914 7.942 -4.516 1.00 13.09 ? 106 LEU A CG 1 ATOM 893 C CD1 . LEU A 1 106 ? -12.821 7.005 -5.337 1.00 13.29 ? 106 LEU A CD1 1 ATOM 894 C CD2 . LEU A 1 106 ? -12.090 7.606 -2.998 1.00 13.90 ? 106 LEU A CD2 1 ATOM 895 N N . ARG A 1 107 ? -7.693 8.878 -6.023 1.00 13.04 ? 107 ARG A N 1 ATOM 896 C CA . ARG A 1 107 ? -6.351 8.599 -6.575 1.00 14.18 ? 107 ARG A CA 1 ATOM 897 C C . ARG A 1 107 ? -5.253 9.164 -5.687 1.00 14.51 ? 107 ARG A C 1 ATOM 898 O O . ARG A 1 107 ? -4.246 8.498 -5.427 1.00 15.18 ? 107 ARG A O 1 ATOM 899 C CB . ARG A 1 107 ? -6.201 9.144 -8.008 1.00 13.42 ? 107 ARG A CB 1 ATOM 900 C CG . ARG A 1 107 ? -7.173 8.540 -9.007 1.00 13.79 ? 107 ARG A CG 1 ATOM 901 C CD . ARG A 1 107 ? -7.132 6.996 -9.022 1.00 14.65 ? 107 ARG A CD 1 ATOM 902 N NE . ARG A 1 107 ? -7.813 6.454 -10.185 1.00 16.46 ? 107 ARG A NE 1 ATOM 903 C CZ . ARG A 1 107 ? -7.982 5.158 -10.399 1.00 17.18 ? 107 ARG A CZ 1 ATOM 904 N NH1 . ARG A 1 107 ? -7.540 4.275 -9.512 1.00 16.41 ? 107 ARG A NH1 1 ATOM 905 N NH2 . ARG A 1 107 ? -8.590 4.745 -11.504 1.00 14.81 ? 107 ARG A NH2 1 ATOM 906 N N . THR A 1 108 ? -5.441 10.374 -5.192 1.00 15.81 ? 108 THR A N 1 ATOM 907 C CA . THR A 1 108 ? -4.442 10.957 -4.304 1.00 16.21 ? 108 THR A CA 1 ATOM 908 C C . THR A 1 108 ? -4.156 10.066 -3.101 1.00 15.97 ? 108 THR A C 1 ATOM 909 O O . THR A 1 108 ? -2.999 9.875 -2.712 1.00 16.03 ? 108 THR A O 1 ATOM 910 C CB . THR A 1 108 ? -4.939 12.307 -3.820 1.00 17.30 ? 108 THR A CB 1 ATOM 911 O OG1 . THR A 1 108 ? -4.888 13.220 -4.924 1.00 20.26 ? 108 THR A OG1 1 ATOM 912 C CG2 . THR A 1 108 ? -4.013 12.873 -2.739 1.00 19.23 ? 108 THR A CG2 1 ATOM 913 N N . HIS A 1 109 ? -5.225 9.487 -2.555 1.00 15.51 ? 109 HIS A N 1 ATOM 914 C CA . HIS A 1 109 ? -5.124 8.735 -1.312 1.00 15.52 ? 109 HIS A CA 1 ATOM 915 C C . HIS A 1 109 ? -4.996 7.233 -1.470 1.00 15.84 ? 109 HIS A C 1 ATOM 916 O O . HIS A 1 109 ? -4.967 6.487 -0.486 1.00 16.69 ? 109 HIS A O 1 ATOM 917 C CB . HIS A 1 109 ? -6.272 9.156 -0.382 1.00 16.07 ? 109 HIS A CB 1 ATOM 918 C CG . HIS A 1 109 ? -6.163 10.586 0.034 1.00 16.40 ? 109 HIS A CG 1 ATOM 919 N ND1 . HIS A 1 109 ? -5.051 11.072 0.703 1.00 18.36 ? 109 HIS A ND1 1 ATOM 920 C CD2 . HIS A 1 109 ? -6.963 11.652 -0.205 1.00 17.10 ? 109 HIS A CD2 1 ATOM 921 C CE1 . HIS A 1 109 ? -5.210 12.365 0.916 1.00 18.68 ? 109 HIS A CE1 1 ATOM 922 N NE2 . HIS A 1 109 ? -6.357 12.742 0.375 1.00 19.99 ? 109 HIS A NE2 1 ATOM 923 N N . GLY A 1 110 ? -4.932 6.791 -2.713 1.00 14.52 ? 110 GLY A N 1 ATOM 924 C CA . GLY A 1 110 ? -4.635 5.389 -3.005 1.00 14.58 ? 110 GLY A CA 1 ATOM 925 C C . GLY A 1 110 ? -5.812 4.444 -2.915 1.00 14.78 ? 110 GLY A C 1 ATOM 926 O O . GLY A 1 110 ? -5.644 3.223 -2.871 1.00 15.85 ? 110 GLY A O 1 ATOM 927 N N . PHE A 1 111 ? -7.024 4.991 -2.944 1.00 13.76 ? 111 PHE A N 1 ATOM 928 C CA . PHE A 1 111 ? -8.201 4.128 -2.937 1.00 12.76 ? 111 PHE A CA 1 ATOM 929 C C . PHE A 1 111 ? -8.592 3.602 -4.320 1.00 12.46 ? 111 PHE A C 1 ATOM 930 O O . PHE A 1 111 ? -8.434 4.296 -5.329 1.00 14.09 ? 111 PHE A O 1 ATOM 931 C CB . PHE A 1 111 ? -9.406 4.893 -2.370 1.00 13.35 ? 111 PHE A CB 1 ATOM 932 C CG . PHE A 1 111 ? -9.340 5.126 -0.902 1.00 12.49 ? 111 PHE A CG 1 ATOM 933 C CD1 . PHE A 1 111 ? -9.644 4.099 -0.016 1.00 11.92 ? 111 PHE A CD1 1 ATOM 934 C CD2 . PHE A 1 111 ? -8.964 6.356 -0.399 1.00 14.16 ? 111 PHE A CD2 1 ATOM 935 C CE1 . PHE A 1 111 ? -9.585 4.313 1.356 1.00 13.91 ? 111 PHE A CE1 1 ATOM 936 C CE2 . PHE A 1 111 ? -8.913 6.579 0.970 1.00 14.02 ? 111 PHE A CE2 1 ATOM 937 C CZ . PHE A 1 111 ? -9.231 5.557 1.846 1.00 13.88 ? 111 PHE A CZ 1 ATOM 938 N N . ASP A 1 112 ? -9.150 2.379 -4.350 1.00 12.55 ? 112 ASP A N 1 ATOM 939 C CA . ASP A 1 112 ? -9.612 1.746 -5.567 1.00 12.50 ? 112 ASP A CA 1 ATOM 940 C C . ASP A 1 112 ? -11.085 2.011 -5.883 1.00 12.68 ? 112 ASP A C 1 ATOM 941 O O . ASP A 1 112 ? -11.584 1.565 -6.918 1.00 12.95 ? 112 ASP A O 1 ATOM 942 C CB . ASP A 1 112 ? -9.377 0.234 -5.484 1.00 11.58 ? 112 ASP A CB 1 ATOM 943 C CG . ASP A 1 112 ? -7.963 -0.087 -5.216 1.00 14.31 ? 112 ASP A CG 1 ATOM 944 O OD1 . ASP A 1 112 ? -7.108 0.229 -6.103 1.00 16.19 ? 112 ASP A OD1 1 ATOM 945 O OD2 . ASP A 1 112 ? -7.595 -0.584 -4.136 1.00 14.34 ? 112 ASP A OD2 1 ATOM 946 N N . GLY A 1 113 ? -11.790 2.701 -4.982 1.00 12.33 ? 113 GLY A N 1 ATOM 947 C CA . GLY A 1 113 ? -13.188 2.968 -5.285 1.00 11.92 ? 113 GLY A CA 1 ATOM 948 C C . GLY A 1 113 ? -13.893 3.776 -4.207 1.00 11.01 ? 113 GLY A C 1 ATOM 949 O O . GLY A 1 113 ? -13.310 4.105 -3.175 1.00 11.55 ? 113 GLY A O 1 ATOM 950 N N . LEU A 1 114 ? -15.165 4.044 -4.484 1.00 10.23 ? 114 LEU A N 1 ATOM 951 C CA . LEU A 1 114 ? -16.041 4.768 -3.563 1.00 10.18 ? 114 LEU A CA 1 ATOM 952 C C . LEU A 1 114 ? -17.212 3.898 -3.150 1.00 10.86 ? 114 LEU A C 1 ATOM 953 O O . LEU A 1 114 ? -17.808 3.229 -4.001 1.00 11.49 ? 114 LEU A O 1 ATOM 954 C CB . LEU A 1 114 ? -16.641 5.975 -4.306 1.00 10.57 ? 114 LEU A CB 1 ATOM 955 C CG . LEU A 1 114 ? -17.519 6.860 -3.388 1.00 9.66 ? 114 LEU A CG 1 ATOM 956 C CD1 . LEU A 1 114 ? -16.660 7.728 -2.506 1.00 11.54 ? 114 LEU A CD1 1 ATOM 957 C CD2 . LEU A 1 114 ? -18.400 7.733 -4.262 1.00 12.57 ? 114 LEU A CD2 1 ATOM 958 N N . ASP A 1 115 ? -17.549 3.953 -1.860 1.00 11.29 ? 115 ASP A N 1 ATOM 959 C CA . ASP A 1 115 ? -18.747 3.304 -1.358 1.00 11.17 ? 115 ASP A CA 1 ATOM 960 C C . ASP A 1 115 ? -19.696 4.394 -0.930 1.00 11.34 ? 115 ASP A C 1 ATOM 961 O O . ASP A 1 115 ? -19.299 5.343 -0.249 1.00 11.44 ? 115 ASP A O 1 ATOM 962 C CB . ASP A 1 115 ? -18.361 2.401 -0.171 1.00 11.16 ? 115 ASP A CB 1 ATOM 963 C CG . ASP A 1 115 ? -19.544 1.756 0.496 1.00 13.19 ? 115 ASP A CG 1 ATOM 964 O OD1 . ASP A 1 115 ? -20.265 0.987 -0.183 1.00 13.16 ? 115 ASP A OD1 1 ATOM 965 O OD2 . ASP A 1 115 ? -19.760 1.933 1.717 1.00 12.62 ? 115 ASP A OD2 1 ATOM 966 N N . LEU A 1 116 ? -20.944 4.273 -1.343 1.00 11.87 ? 116 LEU A N 1 ATOM 967 C CA . LEU A 1 116 ? -21.967 5.239 -0.951 1.00 12.52 ? 116 LEU A CA 1 ATOM 968 C C . LEU A 1 116 ? -22.742 4.700 0.248 1.00 12.98 ? 116 LEU A C 1 ATOM 969 O O . LEU A 1 116 ? -23.404 3.666 0.136 1.00 14.27 ? 116 LEU A O 1 ATOM 970 C CB . LEU A 1 116 ? -22.949 5.461 -2.117 1.00 12.90 ? 116 LEU A CB 1 ATOM 971 C CG . LEU A 1 116 ? -22.383 6.125 -3.385 1.00 13.21 ? 116 LEU A CG 1 ATOM 972 C CD1 . LEU A 1 116 ? -23.326 5.983 -4.505 1.00 15.81 ? 116 LEU A CD1 1 ATOM 973 C CD2 . LEU A 1 116 ? -22.164 7.605 -3.084 1.00 16.62 ? 116 LEU A CD2 1 ATOM 974 N N . ALA A 1 117 ? -22.676 5.405 1.380 1.00 12.89 ? 117 ALA A N 1 ATOM 975 C CA . ALA A 1 117 ? -23.404 5.023 2.597 1.00 13.73 ? 117 ALA A CA 1 ATOM 976 C C . ALA A 1 117 ? -24.384 6.137 3.002 1.00 15.10 ? 117 ALA A C 1 ATOM 977 O O . ALA A 1 117 ? -24.221 6.831 4.005 1.00 15.83 ? 117 ALA A O 1 ATOM 978 C CB . ALA A 1 117 ? -22.440 4.729 3.737 1.00 13.76 ? 117 ALA A CB 1 ATOM 979 N N . TRP A 1 118 ? -25.390 6.322 2.160 1.00 14.72 ? 118 TRP A N 1 ATOM 980 C CA . TRP A 1 118 ? -26.444 7.305 2.464 1.00 15.40 ? 118 TRP A CA 1 ATOM 981 C C . TRP A 1 118 ? -27.437 6.586 3.365 1.00 15.72 ? 118 TRP A C 1 ATOM 982 O O . TRP A 1 118 ? -28.092 5.613 2.937 1.00 15.72 ? 118 TRP A O 1 ATOM 983 C CB . TRP A 1 118 ? -27.050 7.714 1.133 1.00 15.37 ? 118 TRP A CB 1 ATOM 984 C CG . TRP A 1 118 ? -28.195 8.724 1.141 1.00 16.53 ? 118 TRP A CG 1 ATOM 985 C CD1 . TRP A 1 118 ? -28.906 9.198 2.214 1.00 17.59 ? 118 TRP A CD1 1 ATOM 986 C CD2 . TRP A 1 118 ? -28.683 9.418 0.000 1.00 14.85 ? 118 TRP A CD2 1 ATOM 987 N NE1 . TRP A 1 118 ? -29.852 10.108 1.795 1.00 16.29 ? 118 TRP A NE1 1 ATOM 988 C CE2 . TRP A 1 118 ? -29.744 10.263 0.436 1.00 14.50 ? 118 TRP A CE2 1 ATOM 989 C CE3 . TRP A 1 118 ? -28.387 9.368 -1.355 1.00 16.40 ? 118 TRP A CE3 1 ATOM 990 C CZ2 . TRP A 1 118 ? -30.472 11.080 -0.444 1.00 14.94 ? 118 TRP A CZ2 1 ATOM 991 C CZ3 . TRP A 1 118 ? -29.089 10.191 -2.235 1.00 18.05 ? 118 TRP A CZ3 1 ATOM 992 C CH2 . TRP A 1 118 ? -30.130 11.040 -1.768 1.00 13.86 ? 118 TRP A CH2 1 ATOM 993 N N . LEU A 1 119 ? -27.554 7.072 4.598 1.00 15.82 ? 119 LEU A N 1 ATOM 994 C CA . LEU A 1 119 ? -28.371 6.398 5.597 1.00 15.91 ? 119 LEU A CA 1 ATOM 995 C C . LEU A 1 119 ? -29.460 7.332 6.089 1.00 16.45 ? 119 LEU A C 1 ATOM 996 O O . LEU A 1 119 ? -29.255 8.015 7.111 1.00 17.05 ? 119 LEU A O 1 ATOM 997 C CB . LEU A 1 119 ? -27.524 5.920 6.785 1.00 16.59 ? 119 LEU A CB 1 ATOM 998 C CG . LEU A 1 119 ? -26.246 5.128 6.470 1.00 17.84 ? 119 LEU A CG 1 ATOM 999 C CD1 . LEU A 1 119 ? -25.566 4.724 7.779 1.00 18.92 ? 119 LEU A CD1 1 ATOM 1000 C CD2 . LEU A 1 119 ? -26.584 3.928 5.641 1.00 19.72 ? 119 LEU A CD2 1 ATOM 1001 N N . TYR A 1 120 ? -30.630 7.376 5.434 1.00 16.79 ? 120 TYR A N 1 ATOM 1002 C CA . TYR A 1 120 ? -31.059 6.575 4.274 1.00 16.52 ? 120 TYR A CA 1 ATOM 1003 C C . TYR A 1 120 ? -31.862 7.481 3.354 1.00 16.69 ? 120 TYR A C 1 ATOM 1004 O O . TYR A 1 120 ? -32.492 8.432 3.815 1.00 17.45 ? 120 TYR A O 1 ATOM 1005 C CB . TYR A 1 120 ? -31.994 5.415 4.725 1.00 17.16 ? 120 TYR A CB 1 ATOM 1006 C CG . TYR A 1 120 ? -31.257 4.450 5.633 1.00 15.37 ? 120 TYR A CG 1 ATOM 1007 C CD1 . TYR A 1 120 ? -31.190 4.658 7.011 1.00 15.60 ? 120 TYR A CD1 1 ATOM 1008 C CD2 . TYR A 1 120 ? -30.589 3.342 5.105 1.00 15.97 ? 120 TYR A CD2 1 ATOM 1009 C CE1 . TYR A 1 120 ? -30.482 3.794 7.825 1.00 16.37 ? 120 TYR A CE1 1 ATOM 1010 C CE2 . TYR A 1 120 ? -29.880 2.492 5.915 1.00 15.63 ? 120 TYR A CE2 1 ATOM 1011 C CZ . TYR A 1 120 ? -29.821 2.719 7.272 1.00 16.16 ? 120 TYR A CZ 1 ATOM 1012 O OH . TYR A 1 120 ? -29.092 1.882 8.100 1.00 17.91 ? 120 TYR A OH 1 ATOM 1013 N N . PRO A 1 121 ? -31.907 7.158 2.066 1.00 17.34 ? 121 PRO A N 1 ATOM 1014 C CA . PRO A 1 121 ? -32.740 7.913 1.120 1.00 17.28 ? 121 PRO A CA 1 ATOM 1015 C C . PRO A 1 121 ? -34.212 7.734 1.423 1.00 18.23 ? 121 PRO A C 1 ATOM 1016 O O . PRO A 1 121 ? -34.679 6.641 1.753 1.00 18.47 ? 121 PRO A O 1 ATOM 1017 C CB . PRO A 1 121 ? -32.386 7.300 -0.243 1.00 16.79 ? 121 PRO A CB 1 ATOM 1018 C CG . PRO A 1 121 ? -31.911 5.875 0.121 1.00 16.88 ? 121 PRO A CG 1 ATOM 1019 C CD . PRO A 1 121 ? -31.122 6.098 1.395 1.00 17.35 ? 121 PRO A CD 1 ATOM 1020 N N . GLY A 1 122 ? -34.922 8.844 1.349 1.00 19.05 ? 122 GLY A N 1 ATOM 1021 C CA . GLY A 1 122 ? -36.372 8.822 1.528 1.00 19.43 ? 122 GLY A CA 1 ATOM 1022 C C . GLY A 1 122 ? -37.060 8.758 0.183 1.00 19.32 ? 122 GLY A C 1 ATOM 1023 O O . GLY A 1 122 ? -36.439 8.687 -0.876 1.00 18.48 ? 122 GLY A O 1 ATOM 1024 N N . ARG A 1 123 ? -38.405 8.792 0.236 1.00 19.94 ? 123 ARG A N 1 ATOM 1025 C CA . ARG A 1 123 ? -39.248 8.757 -0.950 1.00 20.42 ? 123 ARG A CA 1 ATOM 1026 C C . ARG A 1 123 ? -38.872 9.849 -1.959 1.00 19.46 ? 123 ARG A C 1 ATOM 1027 O O . ARG A 1 123 ? -38.799 9.601 -3.162 1.00 19.23 ? 123 ARG A O 1 ATOM 1028 C CB . ARG A 1 123 ? -40.722 8.884 -0.517 1.00 20.90 ? 123 ARG A CB 1 ATOM 1029 C CG . ARG A 1 123 ? -41.709 9.020 -1.630 1.00 25.83 ? 123 ARG A CG 1 ATOM 1030 C CD . ARG A 1 123 ? -43.151 9.032 -1.101 1.00 29.01 ? 123 ARG A CD 1 ATOM 1031 N NE . ARG A 1 123 ? -43.362 10.074 -0.090 1.00 34.49 ? 123 ARG A NE 1 ATOM 1032 C CZ . ARG A 1 123 ? -43.481 11.373 -0.355 1.00 36.03 ? 123 ARG A CZ 1 ATOM 1033 N NH1 . ARG A 1 123 ? -43.383 11.820 -1.602 1.00 37.30 ? 123 ARG A NH1 1 ATOM 1034 N NH2 . ARG A 1 123 ? -43.687 12.235 0.632 1.00 39.49 ? 123 ARG A NH2 1 ATOM 1035 N N . ARG A 1 124 ? -38.612 11.052 -1.457 1.00 19.84 ? 124 ARG A N 1 ATOM 1036 C CA . ARG A 1 124 ? -38.262 12.184 -2.307 1.00 19.99 ? 124 ARG A CA 1 ATOM 1037 C C . ARG A 1 124 ? -36.868 12.023 -2.927 1.00 20.01 ? 124 ARG A C 1 ATOM 1038 O O . ARG A 1 124 ? -36.543 12.657 -3.937 1.00 20.86 ? 124 ARG A O 1 ATOM 1039 C CB . ARG A 1 124 ? -38.338 13.477 -1.501 1.00 20.21 ? 124 ARG A CB 1 ATOM 1040 C CG . ARG A 1 124 ? -39.751 13.796 -0.987 1.00 21.84 ? 124 ARG A CG 1 ATOM 1041 C CD . ARG A 1 124 ? -39.852 15.215 -0.402 1.00 24.26 ? 124 ARG A CD 1 ATOM 1042 N NE . ARG A 1 124 ? -41.096 15.440 0.334 1.00 22.51 ? 124 ARG A NE 1 ATOM 1043 C CZ . ARG A 1 124 ? -41.183 15.467 1.655 1.00 28.55 ? 124 ARG A CZ 1 ATOM 1044 N NH1 . ARG A 1 124 ? -40.095 15.268 2.390 1.00 31.94 ? 124 ARG A NH1 1 ATOM 1045 N NH2 . ARG A 1 124 ? -42.358 15.686 2.239 1.00 29.96 ? 124 ARG A NH2 1 ATOM 1046 N N . ASP A 1 125 ? -36.072 11.117 -2.352 1.00 18.77 ? 125 ASP A N 1 ATOM 1047 C CA . ASP A 1 125 ? -34.680 10.925 -2.810 1.00 17.64 ? 125 ASP A CA 1 ATOM 1048 C C . ASP A 1 125 ? -34.451 9.813 -3.814 1.00 18.15 ? 125 ASP A C 1 ATOM 1049 O O . ASP A 1 125 ? -33.405 9.764 -4.432 1.00 17.23 ? 125 ASP A O 1 ATOM 1050 C CB . ASP A 1 125 ? -33.804 10.592 -1.600 1.00 17.06 ? 125 ASP A CB 1 ATOM 1051 C CG . ASP A 1 125 ? -33.808 11.668 -0.586 1.00 17.31 ? 125 ASP A CG 1 ATOM 1052 O OD1 . ASP A 1 125 ? -33.635 12.847 -1.003 1.00 19.17 ? 125 ASP A OD1 1 ATOM 1053 O OD2 . ASP A 1 125 ? -33.932 11.446 0.633 1.00 20.16 ? 125 ASP A OD2 1 ATOM 1054 N N . LYS A 1 126 ? -35.418 8.921 -3.989 1.00 17.77 ? 126 LYS A N 1 ATOM 1055 C CA . LYS A 1 126 ? -35.202 7.728 -4.801 1.00 17.60 ? 126 LYS A CA 1 ATOM 1056 C C . LYS A 1 126 ? -34.634 8.015 -6.180 1.00 17.46 ? 126 LYS A C 1 ATOM 1057 O O . LYS A 1 126 ? -33.636 7.422 -6.595 1.00 17.00 ? 126 LYS A O 1 ATOM 1058 C CB . LYS A 1 126 ? -36.491 6.892 -4.915 1.00 18.31 ? 126 LYS A CB 1 ATOM 1059 C CG . LYS A 1 126 ? -36.268 5.612 -5.692 1.00 17.77 ? 126 LYS A CG 1 ATOM 1060 C CD . LYS A 1 126 ? -37.566 4.809 -5.877 1.00 20.47 ? 126 LYS A CD 1 ATOM 1061 C CE . LYS A 1 126 ? -37.916 4.071 -4.605 1.00 24.05 ? 126 LYS A CE 1 ATOM 1062 N NZ . LYS A 1 126 ? -38.925 2.974 -4.925 1.00 25.27 ? 126 LYS A NZ 1 ATOM 1063 N N . ARG A 1 127 ? -35.251 8.942 -6.909 1.00 17.70 ? 127 ARG A N 1 ATOM 1064 C CA . ARG A 1 127 ? -34.796 9.193 -8.265 1.00 18.97 ? 127 ARG A CA 1 ATOM 1065 C C . ARG A 1 127 ? -33.440 9.898 -8.295 1.00 18.78 ? 127 ARG A C 1 ATOM 1066 O O . ARG A 1 127 ? -32.679 9.734 -9.232 1.00 18.22 ? 127 ARG A O 1 ATOM 1067 C CB . ARG A 1 127 ? -35.847 9.983 -9.062 1.00 20.91 ? 127 ARG A CB 1 ATOM 1068 C CG . ARG A 1 127 ? -36.047 11.409 -8.637 1.00 23.60 ? 127 ARG A CG 1 ATOM 1069 C CD . ARG A 1 127 ? -37.172 12.069 -9.427 1.00 28.96 ? 127 ARG A CD 1 ATOM 1070 N NE . ARG A 1 127 ? -37.355 13.468 -9.052 1.00 31.28 ? 127 ARG A NE 1 ATOM 1071 C CZ . ARG A 1 127 ? -36.785 14.477 -9.696 1.00 34.88 ? 127 ARG A CZ 1 ATOM 1072 N NH1 . ARG A 1 127 ? -35.986 14.246 -10.734 1.00 36.11 ? 127 ARG A NH1 1 ATOM 1073 N NH2 . ARG A 1 127 ? -36.996 15.718 -9.291 1.00 35.05 ? 127 ARG A NH2 1 ATOM 1074 N N . HIS A 1 128 ? -33.162 10.658 -7.253 1.00 18.32 ? 128 HIS A N 1 ATOM 1075 C CA . HIS A 1 128 ? -31.900 11.383 -7.162 1.00 19.16 ? 128 HIS A CA 1 ATOM 1076 C C . HIS A 1 128 ? -30.732 10.422 -6.832 1.00 18.59 ? 128 HIS A C 1 ATOM 1077 O O . HIS A 1 128 ? -29.604 10.625 -7.281 1.00 18.41 ? 128 HIS A O 1 ATOM 1078 C CB . HIS A 1 128 ? -32.008 12.499 -6.134 1.00 19.70 ? 128 HIS A CB 1 ATOM 1079 C CG . HIS A 1 128 ? -33.030 13.543 -6.498 1.00 20.95 ? 128 HIS A CG 1 ATOM 1080 N ND1 . HIS A 1 128 ? -33.103 14.108 -7.753 1.00 22.63 ? 128 HIS A ND1 1 ATOM 1081 C CD2 . HIS A 1 128 ? -34.026 14.102 -5.772 1.00 22.55 ? 128 HIS A CD2 1 ATOM 1082 C CE1 . HIS A 1 128 ? -34.111 14.969 -7.786 1.00 23.28 ? 128 HIS A CE1 1 ATOM 1083 N NE2 . HIS A 1 128 ? -34.677 14.991 -6.594 1.00 23.63 ? 128 HIS A NE2 1 ATOM 1084 N N . LEU A 1 129 ? -31.000 9.412 -6.019 1.00 18.35 ? 129 LEU A N 1 ATOM 1085 C CA . LEU A 1 129 ? -29.985 8.382 -5.767 1.00 16.72 ? 129 LEU A CA 1 ATOM 1086 C C . LEU A 1 129 ? -29.674 7.654 -7.071 1.00 16.47 ? 129 LEU A C 1 ATOM 1087 O O . LEU A 1 129 ? -28.506 7.401 -7.381 1.00 16.05 ? 129 LEU A O 1 ATOM 1088 C CB . LEU A 1 129 ? -30.444 7.388 -4.696 1.00 17.11 ? 129 LEU A CB 1 ATOM 1089 C CG . LEU A 1 129 ? -29.535 6.173 -4.495 1.00 17.74 ? 129 LEU A CG 1 ATOM 1090 C CD1 . LEU A 1 129 ? -28.115 6.585 -4.032 1.00 17.91 ? 129 LEU A CD1 1 ATOM 1091 C CD2 . LEU A 1 129 ? -30.169 5.252 -3.453 1.00 20.20 ? 129 LEU A CD2 1 ATOM 1092 N N . THR A 1 130 ? -30.700 7.331 -7.860 1.00 15.55 ? 130 THR A N 1 ATOM 1093 C CA . THR A 1 130 ? -30.451 6.682 -9.123 1.00 15.96 ? 130 THR A CA 1 ATOM 1094 C C . THR A 1 130 ? -29.548 7.541 -10.006 1.00 16.14 ? 130 THR A C 1 ATOM 1095 O O . THR A 1 130 ? -28.597 7.053 -10.604 1.00 16.74 ? 130 THR A O 1 ATOM 1096 C CB . THR A 1 130 ? -31.763 6.433 -9.868 1.00 16.05 ? 130 THR A CB 1 ATOM 1097 O OG1 . THR A 1 130 ? -32.538 5.498 -9.113 1.00 17.83 ? 130 THR A OG1 1 ATOM 1098 C CG2 . THR A 1 130 ? -31.495 5.757 -11.194 1.00 17.15 ? 130 THR A CG2 1 ATOM 1099 N N . THR A 1 131 ? -29.867 8.828 -10.111 1.00 16.68 ? 131 THR A N 1 ATOM 1100 C CA . THR A 1 131 ? -29.013 9.677 -10.931 1.00 18.24 ? 131 THR A CA 1 ATOM 1101 C C . THR A 1 131 ? -27.607 9.822 -10.377 1.00 16.23 ? 131 THR A C 1 ATOM 1102 O O . THR A 1 131 ? -26.658 9.824 -11.149 1.00 16.70 ? 131 THR A O 1 ATOM 1103 C CB . THR A 1 131 ? -29.600 11.059 -11.186 1.00 18.54 ? 131 THR A CB 1 ATOM 1104 O OG1 . THR A 1 131 ? -30.074 11.613 -9.973 1.00 29.06 ? 131 THR A OG1 1 ATOM 1105 C CG2 . THR A 1 131 ? -30.839 10.942 -12.015 1.00 25.39 ? 131 THR A CG2 1 ATOM 1106 N N . LEU A 1 132 ? -27.481 9.930 -9.059 1.00 15.32 ? 132 LEU A N 1 ATOM 1107 C CA . LEU A 1 132 ? -26.143 9.971 -8.445 1.00 15.41 ? 132 LEU A CA 1 ATOM 1108 C C . LEU A 1 132 ? -25.298 8.726 -8.768 1.00 15.76 ? 132 LEU A C 1 ATOM 1109 O O . LEU A 1 132 ? -24.105 8.833 -9.122 1.00 14.86 ? 132 LEU A O 1 ATOM 1110 C CB . LEU A 1 132 ? -26.264 10.159 -6.939 1.00 15.33 ? 132 LEU A CB 1 ATOM 1111 C CG . LEU A 1 132 ? -24.951 10.044 -6.133 1.00 14.22 ? 132 LEU A CG 1 ATOM 1112 C CD1 . LEU A 1 132 ? -23.936 11.105 -6.548 1.00 17.27 ? 132 LEU A CD1 1 ATOM 1113 C CD2 . LEU A 1 132 ? -25.209 10.147 -4.649 1.00 15.88 ? 132 LEU A CD2 1 ATOM 1114 N N . VAL A 1 133 ? -25.902 7.544 -8.646 1.00 15.13 ? 133 VAL A N 1 ATOM 1115 C CA . VAL A 1 133 ? -25.184 6.297 -8.925 1.00 15.57 ? 133 VAL A CA 1 ATOM 1116 C C . VAL A 1 133 ? -24.825 6.202 -10.417 1.00 15.56 ? 133 VAL A C 1 ATOM 1117 O O . VAL A 1 133 ? -23.692 5.895 -10.796 1.00 14.91 ? 133 VAL A O 1 ATOM 1118 C CB . VAL A 1 133 ? -26.045 5.090 -8.483 1.00 15.58 ? 133 VAL A CB 1 ATOM 1119 C CG1 . VAL A 1 133 ? -25.491 3.794 -9.045 1.00 17.12 ? 133 VAL A CG1 1 ATOM 1120 C CG2 . VAL A 1 133 ? -26.078 5.013 -6.934 1.00 16.69 ? 133 VAL A CG2 1 ATOM 1121 N N . LYS A 1 134 ? -25.785 6.498 -11.280 1.00 15.61 ? 134 LYS A N 1 ATOM 1122 C CA . LYS A 1 134 ? -25.517 6.412 -12.712 1.00 17.11 ? 134 LYS A CA 1 ATOM 1123 C C . LYS A 1 134 ? -24.422 7.402 -13.145 1.00 16.64 ? 134 LYS A C 1 ATOM 1124 O O . LYS A 1 134 ? -23.488 7.052 -13.893 1.00 17.08 ? 134 LYS A O 1 ATOM 1125 C CB . LYS A 1 134 ? -26.809 6.689 -13.483 1.00 18.50 ? 134 LYS A CB 1 ATOM 1126 C CG . LYS A 1 134 ? -26.651 6.704 -15.004 1.00 22.20 ? 134 LYS A CG 1 ATOM 1127 C CD . LYS A 1 134 ? -27.993 7.049 -15.662 1.00 29.20 ? 134 LYS A CD 1 ATOM 1128 C CE . LYS A 1 134 ? -27.859 7.183 -17.194 1.00 33.36 ? 134 LYS A CE 1 ATOM 1129 N NZ . LYS A 1 134 ? -27.545 5.877 -17.838 1.00 37.54 ? 134 LYS A NZ 1 ATOM 1130 N N . GLU A 1 135 ? -24.547 8.636 -12.672 1.00 16.48 ? 135 GLU A N 1 ATOM 1131 C CA . GLU A 1 135 ? -23.599 9.672 -13.056 1.00 17.00 ? 135 GLU A CA 1 ATOM 1132 C C . GLU A 1 135 ? -22.211 9.441 -12.455 1.00 17.18 ? 135 GLU A C 1 ATOM 1133 O O . GLU A 1 135 ? -21.195 9.717 -13.112 1.00 17.00 ? 135 GLU A O 1 ATOM 1134 C CB . GLU A 1 135 ? -24.144 11.051 -12.702 1.00 17.17 ? 135 GLU A CB 1 ATOM 1135 C CG . GLU A 1 135 ? -25.388 11.380 -13.509 1.00 20.00 ? 135 GLU A CG 1 ATOM 1136 C CD . GLU A 1 135 ? -26.100 12.623 -13.020 1.00 21.83 ? 135 GLU A CD 1 ATOM 1137 O OE1 . GLU A 1 135 ? -25.604 13.295 -12.112 1.00 23.66 ? 135 GLU A OE1 1 ATOM 1138 O OE2 . GLU A 1 135 ? -27.188 12.925 -13.581 1.00 26.63 ? 135 GLU A OE2 1 ATOM 1139 N N . MET A 1 136 ? -22.172 8.927 -11.217 1.00 15.91 ? 136 MET A N 1 ATOM 1140 C CA . MET A 1 136 ? -20.878 8.642 -10.607 1.00 14.58 ? 136 MET A CA 1 ATOM 1141 C C . MET A 1 136 ? -20.186 7.536 -11.407 1.00 14.84 ? 136 MET A C 1 ATOM 1142 O O . MET A 1 136 ? -18.977 7.623 -11.709 1.00 14.73 ? 136 MET A O 1 ATOM 1143 C CB . MET A 1 136 ? -21.054 8.219 -9.128 1.00 14.01 ? 136 MET A CB 1 ATOM 1144 C CG . MET A 1 136 ? -19.709 7.982 -8.411 1.00 13.56 ? 136 MET A CG 1 ATOM 1145 S SD . MET A 1 136 ? -18.902 9.526 -7.962 1.00 14.24 ? 136 MET A SD 1 ATOM 1146 C CE . MET A 1 136 ? -20.061 10.147 -6.652 1.00 13.97 ? 136 MET A CE 1 ATOM 1147 N N . LYS A 1 137 ? -20.939 6.504 -11.760 1.00 14.95 ? 137 LYS A N 1 ATOM 1148 C CA . LYS A 1 137 ? -20.353 5.420 -12.532 1.00 15.53 ? 137 LYS A CA 1 ATOM 1149 C C . LYS A 1 137 ? -19.855 5.934 -13.889 1.00 16.45 ? 137 LYS A C 1 ATOM 1150 O O . LYS A 1 137 ? -18.776 5.558 -14.349 1.00 16.22 ? 137 LYS A O 1 ATOM 1151 C CB . LYS A 1 137 ? -21.335 4.244 -12.691 1.00 16.62 ? 137 LYS A CB 1 ATOM 1152 C CG . LYS A 1 137 ? -20.727 3.035 -13.443 1.00 18.95 ? 137 LYS A CG 1 ATOM 1153 C CD . LYS A 1 137 ? -19.543 2.478 -12.665 1.00 22.46 ? 137 LYS A CD 1 ATOM 1154 C CE . LYS A 1 137 ? -19.040 1.191 -13.269 1.00 26.97 ? 137 LYS A CE 1 ATOM 1155 N NZ . LYS A 1 137 ? -19.978 0.048 -13.041 1.00 27.24 ? 137 LYS A NZ 1 ATOM 1156 N N . ALA A 1 138 ? -20.640 6.800 -14.515 1.00 15.71 ? 138 ALA A N 1 ATOM 1157 C CA . ALA A 1 138 ? -20.237 7.359 -15.810 1.00 16.43 ? 138 ALA A CA 1 ATOM 1158 C C . ALA A 1 138 ? -18.905 8.131 -15.687 1.00 16.30 ? 138 ALA A C 1 ATOM 1159 O O . ALA A 1 138 ? -18.030 8.076 -16.584 1.00 16.23 ? 138 ALA A O 1 ATOM 1160 C CB . ALA A 1 138 ? -21.366 8.245 -16.375 1.00 16.55 ? 138 ALA A CB 1 ATOM 1161 N N . GLU A 1 139 ? -18.743 8.864 -14.589 1.00 16.14 ? 139 GLU A N 1 ATOM 1162 C CA . GLU A 1 139 ? -17.496 9.576 -14.335 1.00 15.66 ? 139 GLU A CA 1 ATOM 1163 C C . GLU A 1 139 ? -16.312 8.602 -14.128 1.00 15.54 ? 139 GLU A C 1 ATOM 1164 O O . GLU A 1 139 ? -15.205 8.831 -14.618 1.00 15.95 ? 139 GLU A O 1 ATOM 1165 C CB . GLU A 1 139 ? -17.639 10.492 -13.122 1.00 15.26 ? 139 GLU A CB 1 ATOM 1166 C CG . GLU A 1 139 ? -16.393 11.305 -12.785 1.00 17.37 ? 139 GLU A CG 1 ATOM 1167 C CD . GLU A 1 139 ? -16.109 12.426 -13.777 1.00 23.62 ? 139 GLU A CD 1 ATOM 1168 O OE1 . GLU A 1 139 ? -16.970 12.715 -14.614 1.00 21.82 ? 139 GLU A OE1 1 ATOM 1169 O OE2 . GLU A 1 139 ? -15.004 13.006 -13.727 1.00 26.87 ? 139 GLU A OE2 1 ATOM 1170 N N . PHE A 1 140 ? -16.548 7.496 -13.427 1.00 15.51 ? 140 PHE A N 1 ATOM 1171 C CA . PHE A 1 140 ? -15.492 6.513 -13.219 1.00 15.26 ? 140 PHE A CA 1 ATOM 1172 C C . PHE A 1 140 ? -15.085 5.870 -14.550 1.00 15.48 ? 140 PHE A C 1 ATOM 1173 O O . PHE A 1 140 ? -13.895 5.603 -14.802 1.00 15.05 ? 140 PHE A O 1 ATOM 1174 C CB . PHE A 1 140 ? -15.954 5.450 -12.209 1.00 15.29 ? 140 PHE A CB 1 ATOM 1175 C CG . PHE A 1 140 ? -16.071 5.947 -10.785 1.00 13.48 ? 140 PHE A CG 1 ATOM 1176 C CD1 . PHE A 1 140 ? -15.865 7.303 -10.425 1.00 13.63 ? 140 PHE A CD1 1 ATOM 1177 C CD2 . PHE A 1 140 ? -16.355 5.023 -9.771 1.00 12.62 ? 140 PHE A CD2 1 ATOM 1178 C CE1 . PHE A 1 140 ? -15.994 7.716 -9.088 1.00 12.55 ? 140 PHE A CE1 1 ATOM 1179 C CE2 . PHE A 1 140 ? -16.493 5.427 -8.422 1.00 12.67 ? 140 PHE A CE2 1 ATOM 1180 C CZ . PHE A 1 140 ? -16.282 6.759 -8.073 1.00 12.60 ? 140 PHE A CZ 1 ATOM 1181 N N . ILE A 1 141 ? -16.071 5.654 -15.408 1.00 16.14 ? 141 ILE A N 1 ATOM 1182 C CA . ILE A 1 141 ? -15.789 5.128 -16.750 1.00 18.08 ? 141 ILE A CA 1 ATOM 1183 C C . ILE A 1 141 ? -14.901 6.129 -17.505 1.00 18.53 ? 141 ILE A C 1 ATOM 1184 O O . ILE A 1 141 ? -13.894 5.732 -18.094 1.00 18.81 ? 141 ILE A O 1 ATOM 1185 C CB . ILE A 1 141 ? -17.107 4.827 -17.467 1.00 19.03 ? 141 ILE A CB 1 ATOM 1186 C CG1 . ILE A 1 141 ? -17.745 3.570 -16.889 1.00 19.53 ? 141 ILE A CG1 1 ATOM 1187 C CG2 . ILE A 1 141 ? -16.891 4.624 -18.987 1.00 19.19 ? 141 ILE A CG2 1 ATOM 1188 C CD1 . ILE A 1 141 ? -19.205 3.383 -17.340 1.00 21.06 ? 141 ILE A CD1 1 ATOM 1189 N N . ARG A 1 142 ? -15.234 7.416 -17.448 1.00 18.98 ? 142 ARG A N 1 ATOM 1190 C CA . ARG A 1 142 ? -14.402 8.448 -18.104 1.00 20.22 ? 142 ARG A CA 1 ATOM 1191 C C . ARG A 1 142 ? -12.994 8.458 -17.535 1.00 19.11 ? 142 ARG A C 1 ATOM 1192 O O . ARG A 1 142 ? -12.010 8.465 -18.247 1.00 19.12 ? 142 ARG A O 1 ATOM 1193 C CB . ARG A 1 142 ? -15.028 9.834 -17.890 1.00 21.78 ? 142 ARG A CB 1 ATOM 1194 C CG . ARG A 1 142 ? -14.488 10.940 -18.789 1.00 28.07 ? 142 ARG A CG 1 ATOM 1195 C CD . ARG A 1 142 ? -15.449 11.320 -19.922 1.00 35.25 ? 142 ARG A CD 1 ATOM 1196 N NE . ARG A 1 142 ? -16.107 12.590 -19.655 1.00 40.14 ? 142 ARG A NE 1 ATOM 1197 C CZ . ARG A 1 142 ? -17.259 12.988 -20.193 1.00 42.73 ? 142 ARG A CZ 1 ATOM 1198 N NH1 . ARG A 1 142 ? -17.924 12.211 -21.048 1.00 43.05 ? 142 ARG A NH1 1 ATOM 1199 N NH2 . ARG A 1 142 ? -17.747 14.174 -19.863 1.00 43.90 ? 142 ARG A NH2 1 ATOM 1200 N N . GLU A 1 143 ? -12.885 8.406 -16.215 1.00 16.98 ? 143 GLU A N 1 ATOM 1201 C CA . GLU A 1 143 ? -11.583 8.539 -15.612 1.00 16.76 ? 143 GLU A CA 1 ATOM 1202 C C . GLU A 1 143 ? -10.651 7.391 -15.949 1.00 16.10 ? 143 GLU A C 1 ATOM 1203 O O . GLU A 1 143 ? -9.440 7.581 -16.007 1.00 17.43 ? 143 GLU A O 1 ATOM 1204 C CB . GLU A 1 143 ? -11.747 8.715 -14.081 1.00 16.94 ? 143 GLU A CB 1 ATOM 1205 C CG . GLU A 1 143 ? -10.481 9.187 -13.385 1.00 17.39 ? 143 GLU A CG 1 ATOM 1206 C CD . GLU A 1 143 ? -9.637 8.090 -12.764 1.00 17.54 ? 143 GLU A CD 1 ATOM 1207 O OE1 . GLU A 1 143 ? -9.927 6.887 -12.963 1.00 17.96 ? 143 GLU A OE1 1 ATOM 1208 O OE2 . GLU A 1 143 ? -8.660 8.462 -12.066 1.00 19.29 ? 143 GLU A OE2 1 ATOM 1209 N N . ALA A 1 144 ? -11.209 6.223 -16.183 1.00 16.04 ? 144 ALA A N 1 ATOM 1210 C CA . ALA A 1 144 ? -10.410 5.047 -16.500 1.00 15.73 ? 144 ALA A CA 1 ATOM 1211 C C . ALA A 1 144 ? -9.679 5.247 -17.833 1.00 16.91 ? 144 ALA A C 1 ATOM 1212 O O . ALA A 1 144 ? -8.684 4.602 -18.075 1.00 17.06 ? 144 ALA A O 1 ATOM 1213 C CB . ALA A 1 144 ? -11.299 3.803 -16.557 1.00 16.26 ? 144 ALA A CB 1 ATOM 1214 N N . GLN A 1 145 ? -10.154 6.168 -18.663 1.00 17.04 ? 145 GLN A N 1 ATOM 1215 C CA . GLN A 1 145 ? -9.483 6.361 -19.966 1.00 18.41 ? 145 GLN A CA 1 ATOM 1216 C C . GLN A 1 145 ? -8.059 6.852 -19.809 1.00 18.25 ? 145 GLN A C 1 ATOM 1217 O O . GLN A 1 145 ? -7.259 6.749 -20.756 1.00 18.08 ? 145 GLN A O 1 ATOM 1218 C CB . GLN A 1 145 ? -10.241 7.388 -20.801 1.00 18.89 ? 145 GLN A CB 1 ATOM 1219 C CG . GLN A 1 145 ? -11.635 6.951 -21.168 1.00 19.82 ? 145 GLN A CG 1 ATOM 1220 C CD . GLN A 1 145 ? -12.525 8.133 -21.561 1.00 21.93 ? 145 GLN A CD 1 ATOM 1221 O OE1 . GLN A 1 145 ? -12.084 9.302 -21.556 1.00 23.78 ? 145 GLN A OE1 1 ATOM 1222 N NE2 . GLN A 1 145 ? -13.793 7.843 -21.850 1.00 22.81 ? 145 GLN A NE2 1 ATOM 1223 N N . ALA A 1 146 ? -7.756 7.438 -18.645 1.00 17.28 ? 146 ALA A N 1 ATOM 1224 C CA . ALA A 1 146 ? -6.430 7.992 -18.378 1.00 17.92 ? 146 ALA A CA 1 ATOM 1225 C C . ALA A 1 146 ? -5.373 6.933 -18.016 1.00 17.27 ? 146 ALA A C 1 ATOM 1226 O O . ALA A 1 146 ? -4.211 7.289 -17.753 1.00 18.10 ? 146 ALA A O 1 ATOM 1227 C CB . ALA A 1 146 ? -6.501 9.067 -17.299 1.00 18.26 ? 146 ALA A CB 1 ATOM 1228 N N . GLY A 1 147 ? -5.780 5.669 -18.013 1.00 17.14 ? 147 GLY A N 1 ATOM 1229 C CA . GLY A 1 147 ? -4.868 4.550 -17.938 1.00 17.30 ? 147 GLY A CA 1 ATOM 1230 C C . GLY A 1 147 ? -4.845 3.681 -16.705 1.00 18.50 ? 147 GLY A C 1 ATOM 1231 O O . GLY A 1 147 ? -4.208 2.623 -16.707 1.00 20.16 ? 147 GLY A O 1 ATOM 1232 N N . THR A 1 148 ? -5.514 4.122 -15.654 1.00 19.30 ? 148 THR A N 1 ATOM 1233 C CA . THR A 1 148 ? -5.471 3.391 -14.394 1.00 19.11 ? 148 THR A CA 1 ATOM 1234 C C . THR A 1 148 ? -6.753 2.593 -14.249 1.00 18.90 ? 148 THR A C 1 ATOM 1235 O O . THR A 1 148 ? -7.819 3.050 -14.662 1.00 18.09 ? 148 THR A O 1 ATOM 1236 C CB . THR A 1 148 ? -5.305 4.374 -13.231 1.00 18.82 ? 148 THR A CB 1 ATOM 1237 O OG1 . THR A 1 148 ? -4.055 5.074 -13.360 1.00 21.67 ? 148 THR A OG1 1 ATOM 1238 C CG2 . THR A 1 148 ? -5.183 3.622 -11.867 1.00 20.78 ? 148 THR A CG2 1 ATOM 1239 N N . GLU A 1 149 ? -6.641 1.399 -13.683 1.00 18.20 ? 149 GLU A N 1 ATOM 1240 C CA . GLU A 1 149 ? -7.781 0.509 -13.520 1.00 18.65 ? 149 GLU A CA 1 ATOM 1241 C C . GLU A 1 149 ? -8.997 1.258 -12.962 1.00 17.45 ? 149 GLU A C 1 ATOM 1242 O O . GLU A 1 149 ? -8.895 1.981 -11.969 1.00 18.60 ? 149 GLU A O 1 ATOM 1243 C CB . GLU A 1 149 ? -7.397 -0.644 -12.589 1.00 20.32 ? 149 GLU A CB 1 ATOM 1244 C CG . GLU A 1 149 ? -8.470 -1.707 -12.514 1.00 24.26 ? 149 GLU A CG 1 ATOM 1245 C CD . GLU A 1 149 ? -7.962 -2.987 -11.883 1.00 32.18 ? 149 GLU A CD 1 ATOM 1246 O OE1 . GLU A 1 149 ? -6.736 -3.095 -11.658 1.00 36.60 ? 149 GLU A OE1 1 ATOM 1247 O OE2 . GLU A 1 149 ? -8.795 -3.886 -11.612 1.00 36.26 ? 149 GLU A OE2 1 ATOM 1248 N N . GLN A 1 150 ? -10.137 1.060 -13.605 1.00 16.86 ? 150 GLN A N 1 ATOM 1249 C CA . GLN A 1 150 ? -11.362 1.776 -13.255 1.00 15.74 ? 150 GLN A CA 1 ATOM 1250 C C . GLN A 1 150 ? -11.737 1.701 -11.782 1.00 15.20 ? 150 GLN A C 1 ATOM 1251 O O . GLN A 1 150 ? -11.722 0.616 -11.188 1.00 15.87 ? 150 GLN A O 1 ATOM 1252 C CB . GLN A 1 150 ? -12.519 1.209 -14.053 1.00 15.51 ? 150 GLN A CB 1 ATOM 1253 C CG . GLN A 1 150 ? -13.806 2.000 -13.924 1.00 15.37 ? 150 GLN A CG 1 ATOM 1254 C CD . GLN A 1 150 ? -14.833 1.543 -14.909 1.00 18.71 ? 150 GLN A CD 1 ATOM 1255 O OE1 . GLN A 1 150 ? -15.884 1.030 -14.540 1.00 22.77 ? 150 GLN A OE1 1 ATOM 1256 N NE2 . GLN A 1 150 ? -14.503 1.651 -16.178 1.00 18.46 ? 150 GLN A NE2 1 ATOM 1257 N N . LEU A 1 151 ? -12.090 2.850 -11.220 1.00 14.27 ? 151 LEU A N 1 ATOM 1258 C CA . LEU A 1 151 ? -12.567 2.895 -9.843 1.00 12.98 ? 151 LEU A CA 1 ATOM 1259 C C . LEU A 1 151 ? -13.831 2.094 -9.698 1.00 12.69 ? 151 LEU A C 1 ATOM 1260 O O . LEU A 1 151 ? -14.723 2.119 -10.551 1.00 13.20 ? 151 LEU A O 1 ATOM 1261 C CB . LEU A 1 151 ? -12.866 4.352 -9.454 1.00 12.97 ? 151 LEU A CB 1 ATOM 1262 C CG . LEU A 1 151 ? -11.597 5.203 -9.402 1.00 13.47 ? 151 LEU A CG 1 ATOM 1263 C CD1 . LEU A 1 151 ? -11.928 6.711 -9.495 1.00 14.40 ? 151 LEU A CD1 1 ATOM 1264 C CD2 . LEU A 1 151 ? -10.809 4.879 -8.112 1.00 13.93 ? 151 LEU A CD2 1 ATOM 1265 N N . LEU A 1 152 ? -13.937 1.419 -8.560 1.00 12.68 ? 152 LEU A N 1 ATOM 1266 C CA . LEU A 1 152 ? -15.135 0.656 -8.198 1.00 12.27 ? 152 LEU A CA 1 ATOM 1267 C C . LEU A 1 152 ? -16.149 1.568 -7.528 1.00 12.23 ? 152 LEU A C 1 ATOM 1268 O O . LEU A 1 152 ? -15.780 2.587 -6.914 1.00 13.09 ? 152 LEU A O 1 ATOM 1269 C CB . LEU A 1 152 ? -14.772 -0.442 -7.188 1.00 13.03 ? 152 LEU A CB 1 ATOM 1270 C CG . LEU A 1 152 ? -13.681 -1.393 -7.677 1.00 13.30 ? 152 LEU A CG 1 ATOM 1271 C CD1 . LEU A 1 152 ? -13.234 -2.289 -6.469 1.00 15.34 ? 152 LEU A CD1 1 ATOM 1272 C CD2 . LEU A 1 152 ? -14.256 -2.249 -8.770 1.00 14.25 ? 152 LEU A CD2 1 ATOM 1273 N N . LEU A 1 153 ? -17.422 1.213 -7.661 1.00 12.44 ? 153 LEU A N 1 ATOM 1274 C CA . LEU A 1 153 ? -18.498 1.966 -7.007 1.00 12.02 ? 153 LEU A CA 1 ATOM 1275 C C . LEU A 1 153 ? -19.410 0.977 -6.312 1.00 12.67 ? 153 LEU A C 1 ATOM 1276 O O . LEU A 1 153 ? -19.943 0.068 -6.949 1.00 13.41 ? 153 LEU A O 1 ATOM 1277 C CB . LEU A 1 153 ? -19.302 2.755 -8.048 1.00 13.12 ? 153 LEU A CB 1 ATOM 1278 C CG . LEU A 1 153 ? -20.425 3.598 -7.452 1.00 12.13 ? 153 LEU A CG 1 ATOM 1279 C CD1 . LEU A 1 153 ? -19.853 4.654 -6.536 1.00 12.40 ? 153 LEU A CD1 1 ATOM 1280 C CD2 . LEU A 1 153 ? -21.275 4.237 -8.575 1.00 14.76 ? 153 LEU A CD2 1 ATOM 1281 N N . SER A 1 154 ? -19.580 1.150 -5.008 1.00 11.96 ? 154 SER A N 1 ATOM 1282 C CA . SER A 1 154 ? -20.467 0.285 -4.251 1.00 11.88 ? 154 SER A CA 1 ATOM 1283 C C . SER A 1 154 ? -21.439 1.117 -3.444 1.00 12.26 ? 154 SER A C 1 ATOM 1284 O O . SER A 1 154 ? -21.302 2.337 -3.351 1.00 12.33 ? 154 SER A O 1 ATOM 1285 C CB . SER A 1 154 ? -19.623 -0.609 -3.322 1.00 12.00 ? 154 SER A CB 1 ATOM 1286 O OG . SER A 1 154 ? -18.883 0.176 -2.388 1.00 11.57 ? 154 SER A OG 1 ATOM 1287 N N . ALA A 1 155 ? -22.425 0.453 -2.845 1.00 12.70 ? 155 ALA A N 1 ATOM 1288 C CA . ALA A 1 155 ? -23.342 1.155 -1.915 1.00 13.06 ? 155 ALA A CA 1 ATOM 1289 C C . ALA A 1 155 ? -23.745 0.212 -0.823 1.00 13.07 ? 155 ALA A C 1 ATOM 1290 O O . ALA A 1 155 ? -23.888 -0.996 -1.080 1.00 14.09 ? 155 ALA A O 1 ATOM 1291 C CB . ALA A 1 155 ? -24.627 1.624 -2.630 1.00 13.15 ? 155 ALA A CB 1 ATOM 1292 N N . ALA A 1 156 ? -23.900 0.765 0.381 1.00 12.41 ? 156 ALA A N 1 ATOM 1293 C CA . ALA A 1 156 ? -24.456 0.062 1.536 1.00 13.15 ? 156 ALA A CA 1 ATOM 1294 C C . ALA A 1 156 ? -25.931 0.408 1.543 1.00 13.34 ? 156 ALA A C 1 ATOM 1295 O O . ALA A 1 156 ? -26.295 1.583 1.604 1.00 15.61 ? 156 ALA A O 1 ATOM 1296 C CB . ALA A 1 156 ? -23.790 0.524 2.830 1.00 13.59 ? 156 ALA A CB 1 ATOM 1297 N N . VAL A 1 157 ? -26.779 -0.620 1.489 1.00 12.72 ? 157 VAL A N 1 ATOM 1298 C CA . VAL A 1 157 ? -28.235 -0.472 1.305 1.00 12.95 ? 157 VAL A CA 1 ATOM 1299 C C . VAL A 1 157 ? -29.026 -1.078 2.449 1.00 13.45 ? 157 VAL A C 1 ATOM 1300 O O . VAL A 1 157 ? -28.713 -2.163 2.910 1.00 13.41 ? 157 VAL A O 1 ATOM 1301 C CB . VAL A 1 157 ? -28.645 -1.139 -0.050 1.00 13.84 ? 157 VAL A CB 1 ATOM 1302 C CG1 . VAL A 1 157 ? -30.183 -1.233 -0.251 1.00 17.53 ? 157 VAL A CG1 1 ATOM 1303 C CG2 . VAL A 1 157 ? -27.973 -0.352 -1.230 1.00 13.16 ? 157 VAL A CG2 1 ATOM 1304 N N . SER A 1 158 ? -30.069 -0.370 2.869 1.00 12.43 ? 158 SER A N 1 ATOM 1305 C CA . SER A 1 158 ? -30.967 -0.905 3.870 1.00 13.23 ? 158 SER A CA 1 ATOM 1306 C C . SER A 1 158 ? -31.450 -2.321 3.540 1.00 13.01 ? 158 SER A C 1 ATOM 1307 O O . SER A 1 158 ? -31.676 -2.622 2.377 1.00 13.26 ? 158 SER A O 1 ATOM 1308 C CB . SER A 1 158 ? -32.213 -0.025 3.973 1.00 13.49 ? 158 SER A CB 1 ATOM 1309 O OG . SER A 1 158 ? -33.046 -0.555 5.025 1.00 15.24 ? 158 SER A OG 1 ATOM 1310 N N . ALA A 1 159 ? -31.617 -3.152 4.571 1.00 12.43 ? 159 ALA A N 1 ATOM 1311 C CA . ALA A 1 159 ? -32.194 -4.488 4.384 1.00 13.25 ? 159 ALA A CA 1 ATOM 1312 C C . ALA A 1 159 ? -33.637 -4.526 4.850 1.00 13.32 ? 159 ALA A C 1 ATOM 1313 O O . ALA A 1 159 ? -34.256 -5.584 4.866 1.00 13.82 ? 159 ALA A O 1 ATOM 1314 C CB . ALA A 1 159 ? -31.400 -5.556 5.110 1.00 12.34 ? 159 ALA A CB 1 ATOM 1315 N N . GLY A 1 160 ? -34.176 -3.374 5.235 1.00 14.11 ? 160 GLY A N 1 ATOM 1316 C CA . GLY A 1 160 ? -35.569 -3.333 5.705 1.00 15.74 ? 160 GLY A CA 1 ATOM 1317 C C . GLY A 1 160 ? -36.517 -3.076 4.545 1.00 16.41 ? 160 GLY A C 1 ATOM 1318 O O . GLY A 1 160 ? -36.367 -2.115 3.803 1.00 16.45 ? 160 GLY A O 1 ATOM 1319 N N . LYS A 1 161 ? -37.532 -3.924 4.404 1.00 17.48 ? 161 LYS A N 1 ATOM 1320 C CA . LYS A 1 161 ? -38.448 -3.819 3.268 1.00 17.65 ? 161 LYS A CA 1 ATOM 1321 C C . LYS A 1 161 ? -39.022 -2.423 3.068 1.00 17.03 ? 161 LYS A C 1 ATOM 1322 O O . LYS A 1 161 ? -38.997 -1.897 1.949 1.00 17.57 ? 161 LYS A O 1 ATOM 1323 C CB . LYS A 1 161 ? -39.599 -4.845 3.401 1.00 17.27 ? 161 LYS A CB 1 ATOM 1324 C CG . LYS A 1 161 ? -40.479 -4.875 2.157 1.00 19.48 ? 161 LYS A CG 1 ATOM 1325 C CD . LYS A 1 161 ? -41.724 -5.732 2.337 1.00 22.28 ? 161 LYS A CD 1 ATOM 1326 C CE . LYS A 1 161 ? -42.524 -5.841 1.034 1.00 22.96 ? 161 LYS A CE 1 ATOM 1327 N NZ . LYS A 1 161 ? -43.244 -4.589 0.629 1.00 24.52 ? 161 LYS A NZ 1 ATOM 1328 N N . ILE A 1 162 ? -39.537 -1.832 4.130 1.00 18.06 ? 162 ILE A N 1 ATOM 1329 C CA . ILE A 1 162 ? -40.130 -0.514 4.032 1.00 19.09 ? 162 ILE A CA 1 ATOM 1330 C C . ILE A 1 162 ? -39.109 0.517 3.539 1.00 18.89 ? 162 ILE A C 1 ATOM 1331 O O . ILE A 1 162 ? -39.392 1.287 2.616 1.00 18.35 ? 162 ILE A O 1 ATOM 1332 C CB . ILE A 1 162 ? -40.725 -0.102 5.375 1.00 20.25 ? 162 ILE A CB 1 ATOM 1333 C CG1 . ILE A 1 162 ? -41.947 -0.972 5.673 1.00 23.63 ? 162 ILE A CG1 1 ATOM 1334 C CG2 . ILE A 1 162 ? -41.089 1.380 5.356 1.00 22.15 ? 162 ILE A CG2 1 ATOM 1335 C CD1 . ILE A 1 162 ? -42.533 -0.731 7.031 1.00 28.05 ? 162 ILE A CD1 1 ATOM 1336 N N . ALA A 1 163 ? -37.924 0.507 4.145 1.00 17.45 ? 163 ALA A N 1 ATOM 1337 C CA . ALA A 1 163 ? -36.862 1.422 3.729 1.00 17.06 ? 163 ALA A CA 1 ATOM 1338 C C . ALA A 1 163 ? -36.419 1.196 2.289 1.00 16.27 ? 163 ALA A C 1 ATOM 1339 O O . ALA A 1 163 ? -36.115 2.146 1.568 1.00 16.31 ? 163 ALA A O 1 ATOM 1340 C CB . ALA A 1 163 ? -35.691 1.323 4.684 1.00 17.08 ? 163 ALA A CB 1 ATOM 1341 N N . ILE A 1 164 ? -36.364 -0.068 1.869 1.00 15.51 ? 164 ILE A N 1 ATOM 1342 C CA . ILE A 1 164 ? -36.025 -0.407 0.486 1.00 15.45 ? 164 ILE A CA 1 ATOM 1343 C C . ILE A 1 164 ? -37.049 0.165 -0.500 1.00 16.69 ? 164 ILE A C 1 ATOM 1344 O O . ILE A 1 164 ? -36.680 0.822 -1.482 1.00 17.10 ? 164 ILE A O 1 ATOM 1345 C CB . ILE A 1 164 ? -35.908 -1.945 0.294 1.00 15.53 ? 164 ILE A CB 1 ATOM 1346 C CG1 . ILE A 1 164 ? -34.676 -2.476 1.052 1.00 15.62 ? 164 ILE A CG1 1 ATOM 1347 C CG2 . ILE A 1 164 ? -35.759 -2.272 -1.189 1.00 15.11 ? 164 ILE A CG2 1 ATOM 1348 C CD1 . ILE A 1 164 ? -34.708 -3.978 1.308 1.00 15.98 ? 164 ILE A CD1 1 ATOM 1349 N N . ASP A 1 165 ? -38.330 -0.092 -0.244 1.00 16.94 ? 165 ASP A N 1 ATOM 1350 C CA . ASP A 1 165 ? -39.373 0.416 -1.119 1.00 18.19 ? 165 ASP A CA 1 ATOM 1351 C C . ASP A 1 165 ? -39.375 1.936 -1.180 1.00 19.07 ? 165 ASP A C 1 ATOM 1352 O O . ASP A 1 165 ? -39.611 2.493 -2.240 1.00 20.41 ? 165 ASP A O 1 ATOM 1353 C CB . ASP A 1 165 ? -40.742 -0.044 -0.638 1.00 17.82 ? 165 ASP A CB 1 ATOM 1354 C CG . ASP A 1 165 ? -40.968 -1.534 -0.814 1.00 19.74 ? 165 ASP A CG 1 ATOM 1355 O OD1 . ASP A 1 165 ? -40.325 -2.180 -1.677 1.00 22.62 ? 165 ASP A OD1 1 ATOM 1356 O OD2 . ASP A 1 165 ? -41.811 -2.130 -0.107 1.00 23.34 ? 165 ASP A OD2 1 ATOM 1357 N N . ARG A 1 166 ? -39.107 2.572 -0.049 1.00 18.76 ? 166 ARG A N 1 ATOM 1358 C CA . ARG A 1 166 ? -39.195 4.017 0.113 1.00 19.30 ? 166 ARG A CA 1 ATOM 1359 C C . ARG A 1 166 ? -38.116 4.729 -0.693 1.00 18.77 ? 166 ARG A C 1 ATOM 1360 O O . ARG A 1 166 ? -38.396 5.666 -1.454 1.00 19.79 ? 166 ARG A O 1 ATOM 1361 C CB . ARG A 1 166 ? -38.942 4.337 1.591 1.00 19.81 ? 166 ARG A CB 1 ATOM 1362 C CG . ARG A 1 166 ? -38.754 5.797 1.957 1.00 24.36 ? 166 ARG A CG 1 ATOM 1363 C CD . ARG A 1 166 ? -38.330 5.980 3.415 1.00 28.52 ? 166 ARG A CD 1 ATOM 1364 N NE . ARG A 1 166 ? -39.438 5.695 4.326 1.00 31.92 ? 166 ARG A NE 1 ATOM 1365 C CZ . ARG A 1 166 ? -39.401 4.863 5.377 1.00 34.56 ? 166 ARG A CZ 1 ATOM 1366 N NH1 . ARG A 1 166 ? -40.502 4.715 6.117 1.00 34.19 ? 166 ARG A NH1 1 ATOM 1367 N NH2 . ARG A 1 166 ? -38.296 4.187 5.703 1.00 31.39 ? 166 ARG A NH2 1 ATOM 1368 N N . GLY A 1 167 ? -36.885 4.236 -0.573 1.00 17.27 ? 167 GLY A N 1 ATOM 1369 C CA . GLY A 1 167 ? -35.754 5.020 -1.037 1.00 16.21 ? 167 GLY A CA 1 ATOM 1370 C C . GLY A 1 167 ? -34.896 4.582 -2.207 1.00 16.40 ? 167 GLY A C 1 ATOM 1371 O O . GLY A 1 167 ? -34.057 5.365 -2.678 1.00 16.47 ? 167 GLY A O 1 ATOM 1372 N N . TYR A 1 168 ? -35.079 3.360 -2.694 1.00 16.17 ? 168 TYR A N 1 ATOM 1373 C CA . TYR A 1 168 ? -34.167 2.843 -3.701 1.00 16.46 ? 168 TYR A CA 1 ATOM 1374 C C . TYR A 1 168 ? -34.813 2.263 -4.945 1.00 16.75 ? 168 TYR A C 1 ATOM 1375 O O . TYR A 1 168 ? -35.811 1.521 -4.860 1.00 18.43 ? 168 TYR A O 1 ATOM 1376 C CB . TYR A 1 168 ? -33.367 1.679 -3.100 1.00 15.53 ? 168 TYR A CB 1 ATOM 1377 C CG . TYR A 1 168 ? -32.626 1.964 -1.814 1.00 16.07 ? 168 TYR A CG 1 ATOM 1378 C CD1 . TYR A 1 168 ? -31.264 2.194 -1.838 1.00 14.58 ? 168 TYR A CD1 1 ATOM 1379 C CD2 . TYR A 1 168 ? -33.260 1.895 -0.578 1.00 14.22 ? 168 TYR A CD2 1 ATOM 1380 C CE1 . TYR A 1 168 ? -30.545 2.439 -0.669 1.00 14.15 ? 168 TYR A CE1 1 ATOM 1381 C CE2 . TYR A 1 168 ? -32.546 2.097 0.604 1.00 15.70 ? 168 TYR A CE2 1 ATOM 1382 C CZ . TYR A 1 168 ? -31.178 2.367 0.550 1.00 15.04 ? 168 TYR A CZ 1 ATOM 1383 O OH . TYR A 1 168 ? -30.465 2.579 1.715 1.00 15.09 ? 168 TYR A OH 1 ATOM 1384 N N . ASP A 1 169 ? -34.229 2.576 -6.093 1.00 17.05 ? 169 ASP A N 1 ATOM 1385 C CA . ASP A 1 169 ? -34.619 1.922 -7.341 1.00 17.53 ? 169 ASP A CA 1 ATOM 1386 C C . ASP A 1 169 ? -33.599 0.807 -7.561 1.00 16.50 ? 169 ASP A C 1 ATOM 1387 O O . ASP A 1 169 ? -32.589 0.983 -8.246 1.00 16.47 ? 169 ASP A O 1 ATOM 1388 C CB . ASP A 1 169 ? -34.656 2.939 -8.480 1.00 16.86 ? 169 ASP A CB 1 ATOM 1389 C CG . ASP A 1 169 ? -35.235 2.391 -9.740 1.00 20.91 ? 169 ASP A CG 1 ATOM 1390 O OD1 . ASP A 1 169 ? -35.294 1.145 -9.893 1.00 22.37 ? 169 ASP A OD1 1 ATOM 1391 O OD2 . ASP A 1 169 ? -35.627 3.166 -10.654 1.00 21.53 ? 169 ASP A OD2 1 ATOM 1392 N N . ILE A 1 170 ? -33.863 -0.351 -6.941 1.00 16.38 ? 170 ILE A N 1 ATOM 1393 C CA . ILE A 1 170 ? -32.894 -1.447 -6.944 1.00 16.15 ? 170 ILE A CA 1 ATOM 1394 C C . ILE A 1 170 ? -32.536 -1.939 -8.348 1.00 16.75 ? 170 ILE A C 1 ATOM 1395 O O . ILE A 1 170 ? -31.381 -2.168 -8.664 1.00 17.36 ? 170 ILE A O 1 ATOM 1396 C CB . ILE A 1 170 ? -33.405 -2.599 -6.065 1.00 15.48 ? 170 ILE A CB 1 ATOM 1397 C CG1 . ILE A 1 170 ? -33.512 -2.137 -4.609 1.00 16.75 ? 170 ILE A CG1 1 ATOM 1398 C CG2 . ILE A 1 170 ? -32.496 -3.818 -6.233 1.00 17.14 ? 170 ILE A CG2 1 ATOM 1399 C CD1 . ILE A 1 170 ? -32.173 -1.724 -3.980 1.00 17.66 ? 170 ILE A CD1 1 ATOM 1400 N N . ALA A 1 171 ? -33.531 -2.061 -9.210 1.00 18.03 ? 171 ALA A N 1 ATOM 1401 C CA . ALA A 1 171 ? -33.270 -2.523 -10.564 1.00 19.43 ? 171 ALA A CA 1 ATOM 1402 C C . ALA A 1 171 ? -32.321 -1.594 -11.299 1.00 19.15 ? 171 ALA A C 1 ATOM 1403 O O . ALA A 1 171 ? -31.420 -2.058 -11.984 1.00 21.35 ? 171 ALA A O 1 ATOM 1404 C CB . ALA A 1 171 ? -34.577 -2.668 -11.359 1.00 20.04 ? 171 ALA A CB 1 ATOM 1405 N N . GLN A 1 172 ? -32.513 -0.288 -11.126 1.00 18.77 ? 172 GLN A N 1 ATOM 1406 C CA . GLN A 1 172 ? -31.641 0.661 -11.794 1.00 18.72 ? 172 GLN A CA 1 ATOM 1407 C C . GLN A 1 172 ? -30.274 0.767 -11.138 1.00 17.52 ? 172 GLN A C 1 ATOM 1408 O O . GLN A 1 172 ? -29.270 0.690 -11.828 1.00 17.89 ? 172 GLN A O 1 ATOM 1409 C CB . GLN A 1 172 ? -32.292 2.041 -11.891 1.00 18.96 ? 172 GLN A CB 1 ATOM 1410 C CG . GLN A 1 172 ? -33.455 2.095 -12.906 1.00 21.50 ? 172 GLN A CG 1 ATOM 1411 C CD . GLN A 1 172 ? -33.056 1.625 -14.301 1.00 25.88 ? 172 GLN A CD 1 ATOM 1412 O OE1 . GLN A 1 172 ? -33.775 0.827 -14.917 1.00 32.18 ? 172 GLN A OE1 1 ATOM 1413 N NE2 . GLN A 1 172 ? -31.930 2.086 -14.789 1.00 24.70 ? 172 GLN A NE2 1 ATOM 1414 N N . ILE A 1 173 ? -30.205 0.957 -9.820 1.00 17.36 ? 173 ILE A N 1 ATOM 1415 C CA . ILE A 1 173 ? -28.864 1.159 -9.250 1.00 17.20 ? 173 ILE A CA 1 ATOM 1416 C C . ILE A 1 173 ? -27.972 -0.068 -9.358 1.00 17.47 ? 173 ILE A C 1 ATOM 1417 O O . ILE A 1 173 ? -26.743 0.065 -9.495 1.00 16.91 ? 173 ILE A O 1 ATOM 1418 C CB . ILE A 1 173 ? -28.898 1.731 -7.798 1.00 16.62 ? 173 ILE A CB 1 ATOM 1419 C CG1 . ILE A 1 173 ? -29.462 0.717 -6.811 1.00 17.71 ? 173 ILE A CG1 1 ATOM 1420 C CG2 . ILE A 1 173 ? -29.661 3.071 -7.782 1.00 16.29 ? 173 ILE A CG2 1 ATOM 1421 C CD1 . ILE A 1 173 ? -29.544 1.196 -5.343 1.00 20.09 ? 173 ILE A CD1 1 ATOM 1422 N N . SER A 1 174 ? -28.591 -1.252 -9.378 1.00 18.13 ? 174 SER A N 1 ATOM 1423 C CA . SER A 1 174 ? -27.833 -2.491 -9.502 1.00 19.67 ? 174 SER A CA 1 ATOM 1424 C C . SER A 1 174 ? -27.067 -2.572 -10.807 1.00 19.88 ? 174 SER A C 1 ATOM 1425 O O . SER A 1 174 ? -26.041 -3.243 -10.881 1.00 20.36 ? 174 SER A O 1 ATOM 1426 C CB . SER A 1 174 ? -28.757 -3.714 -9.446 1.00 19.48 ? 174 SER A CB 1 ATOM 1427 O OG . SER A 1 174 ? -29.274 -3.865 -8.174 1.00 25.14 ? 174 SER A OG 1 ATOM 1428 N N . ARG A 1 175 ? -27.564 -1.897 -11.842 1.00 19.82 ? 175 ARG A N 1 ATOM 1429 C CA . ARG A 1 175 ? -26.889 -1.932 -13.135 1.00 21.50 ? 175 ARG A CA 1 ATOM 1430 C C . ARG A 1 175 ? -25.531 -1.264 -13.072 1.00 21.07 ? 175 ARG A C 1 ATOM 1431 O O . ARG A 1 175 ? -24.596 -1.683 -13.759 1.00 22.22 ? 175 ARG A O 1 ATOM 1432 C CB . ARG A 1 175 ? -27.703 -1.166 -14.171 1.00 22.51 ? 175 ARG A CB 1 ATOM 1433 C CG . ARG A 1 175 ? -29.063 -1.724 -14.462 1.00 26.48 ? 175 ARG A CG 1 ATOM 1434 C CD . ARG A 1 175 ? -29.867 -0.822 -15.392 1.00 31.02 ? 175 ARG A CD 1 ATOM 1435 N NE . ARG A 1 175 ? -29.105 -0.476 -16.593 1.00 36.02 ? 175 ARG A NE 1 ATOM 1436 C CZ . ARG A 1 175 ? -29.158 0.700 -17.209 1.00 38.86 ? 175 ARG A CZ 1 ATOM 1437 N NH1 . ARG A 1 175 ? -29.943 1.666 -16.748 1.00 39.82 ? 175 ARG A NH1 1 ATOM 1438 N NH2 . ARG A 1 175 ? -28.430 0.915 -18.301 1.00 40.58 ? 175 ARG A NH2 1 ATOM 1439 N N . HIS A 1 176 ? -25.432 -0.228 -12.252 1.00 19.48 ? 176 HIS A N 1 ATOM 1440 C CA . HIS A 1 176 ? -24.259 0.644 -12.236 1.00 19.97 ? 176 HIS A CA 1 ATOM 1441 C C . HIS A 1 176 ? -23.296 0.369 -11.094 1.00 19.24 ? 176 HIS A C 1 ATOM 1442 O O . HIS A 1 176 ? -22.125 0.713 -11.170 1.00 20.19 ? 176 HIS A O 1 ATOM 1443 C CB . HIS A 1 176 ? -24.703 2.100 -12.162 1.00 20.87 ? 176 HIS A CB 1 ATOM 1444 C CG . HIS A 1 176 ? -25.670 2.476 -13.229 1.00 23.03 ? 176 HIS A CG 1 ATOM 1445 N ND1 . HIS A 1 176 ? -25.306 2.552 -14.554 1.00 27.32 ? 176 HIS A ND1 1 ATOM 1446 C CD2 . HIS A 1 176 ? -26.989 2.779 -13.179 1.00 27.50 ? 176 HIS A CD2 1 ATOM 1447 C CE1 . HIS A 1 176 ? -26.362 2.884 -15.276 1.00 27.29 ? 176 HIS A CE1 1 ATOM 1448 N NE2 . HIS A 1 176 ? -27.394 3.027 -14.466 1.00 29.11 ? 176 HIS A NE2 1 ATOM 1449 N N . LEU A 1 177 ? -23.795 -0.222 -10.017 1.00 17.44 ? 177 LEU A N 1 ATOM 1450 C CA . LEU A 1 177 ? -22.930 -0.525 -8.886 1.00 16.10 ? 177 LEU A CA 1 ATOM 1451 C C . LEU A 1 177 ? -22.122 -1.812 -9.122 1.00 17.15 ? 177 LEU A C 1 ATOM 1452 O O . LEU A 1 177 ? -22.614 -2.784 -9.717 1.00 18.38 ? 177 LEU A O 1 ATOM 1453 C CB . LEU A 1 177 ? -23.788 -0.694 -7.630 1.00 14.93 ? 177 LEU A CB 1 ATOM 1454 C CG . LEU A 1 177 ? -24.494 0.577 -7.166 1.00 15.65 ? 177 LEU A CG 1 ATOM 1455 C CD1 . LEU A 1 177 ? -25.515 0.304 -6.035 1.00 15.69 ? 177 LEU A CD1 1 ATOM 1456 C CD2 . LEU A 1 177 ? -23.432 1.565 -6.705 1.00 13.96 ? 177 LEU A CD2 1 ATOM 1457 N N . ASP A 1 178 ? -20.886 -1.843 -8.651 1.00 15.28 ? 178 ASP A N 1 ATOM 1458 C CA . ASP A 1 178 ? -20.099 -3.074 -8.770 1.00 15.84 ? 178 ASP A CA 1 ATOM 1459 C C . ASP A 1 178 ? -20.519 -4.089 -7.716 1.00 15.47 ? 178 ASP A C 1 ATOM 1460 O O . ASP A 1 178 ? -20.392 -5.295 -7.933 1.00 15.78 ? 178 ASP A O 1 ATOM 1461 C CB . ASP A 1 178 ? -18.612 -2.763 -8.698 1.00 16.54 ? 178 ASP A CB 1 ATOM 1462 C CG . ASP A 1 178 ? -18.197 -1.879 -9.819 1.00 18.90 ? 178 ASP A CG 1 ATOM 1463 O OD1 . ASP A 1 178 ? -18.461 -2.252 -10.986 1.00 23.45 ? 178 ASP A OD1 1 ATOM 1464 O OD2 . ASP A 1 178 ? -17.697 -0.766 -9.674 1.00 14.78 ? 178 ASP A OD2 1 ATOM 1465 N N . PHE A 1 179 ? -20.953 -3.608 -6.551 1.00 15.11 ? 179 PHE A N 1 ATOM 1466 C CA . PHE A 1 179 ? -21.624 -4.493 -5.583 1.00 14.69 ? 179 PHE A CA 1 ATOM 1467 C C . PHE A 1 179 ? -22.504 -3.666 -4.687 1.00 14.58 ? 179 PHE A C 1 ATOM 1468 O O . PHE A 1 179 ? -22.261 -2.467 -4.523 1.00 13.97 ? 179 PHE A O 1 ATOM 1469 C CB . PHE A 1 179 ? -20.672 -5.379 -4.736 1.00 14.79 ? 179 PHE A CB 1 ATOM 1470 C CG . PHE A 1 179 ? -19.588 -4.631 -3.994 1.00 14.40 ? 179 PHE A CG 1 ATOM 1471 C CD1 . PHE A 1 179 ? -18.352 -4.377 -4.595 1.00 15.38 ? 179 PHE A CD1 1 ATOM 1472 C CD2 . PHE A 1 179 ? -19.803 -4.206 -2.676 1.00 13.90 ? 179 PHE A CD2 1 ATOM 1473 C CE1 . PHE A 1 179 ? -17.352 -3.699 -3.916 1.00 14.44 ? 179 PHE A CE1 1 ATOM 1474 C CE2 . PHE A 1 179 ? -18.800 -3.510 -1.965 1.00 13.82 ? 179 PHE A CE2 1 ATOM 1475 C CZ . PHE A 1 179 ? -17.571 -3.263 -2.591 1.00 13.71 ? 179 PHE A CZ 1 ATOM 1476 N N . ILE A 1 180 ? -23.517 -4.334 -4.124 1.00 14.36 ? 180 ILE A N 1 ATOM 1477 C CA . ILE A 1 180 ? -24.420 -3.743 -3.129 1.00 14.25 ? 180 ILE A CA 1 ATOM 1478 C C . ILE A 1 180 ? -24.238 -4.509 -1.832 1.00 14.36 ? 180 ILE A C 1 ATOM 1479 O O . ILE A 1 180 ? -24.389 -5.727 -1.805 1.00 15.00 ? 180 ILE A O 1 ATOM 1480 C CB . ILE A 1 180 ? -25.884 -3.892 -3.578 1.00 15.17 ? 180 ILE A CB 1 ATOM 1481 C CG1 . ILE A 1 180 ? -26.178 -2.919 -4.704 1.00 17.47 ? 180 ILE A CG1 1 ATOM 1482 C CG2 . ILE A 1 180 ? -26.832 -3.599 -2.424 1.00 16.08 ? 180 ILE A CG2 1 ATOM 1483 C CD1 . ILE A 1 180 ? -27.483 -3.297 -5.478 1.00 20.70 ? 180 ILE A CD1 1 ATOM 1484 N N . SER A 1 181 ? -23.903 -3.799 -0.761 1.00 13.02 ? 181 SER A N 1 ATOM 1485 C CA . SER A 1 181 ? -23.780 -4.437 0.555 1.00 13.20 ? 181 SER A CA 1 ATOM 1486 C C . SER A 1 181 ? -25.098 -4.273 1.332 1.00 12.59 ? 181 SER A C 1 ATOM 1487 O O . SER A 1 181 ? -25.512 -3.152 1.650 1.00 13.27 ? 181 SER A O 1 ATOM 1488 C CB . SER A 1 181 ? -22.615 -3.836 1.355 1.00 14.34 ? 181 SER A CB 1 ATOM 1489 O OG . SER A 1 181 ? -21.396 -4.171 0.761 1.00 14.97 ? 181 SER A OG 1 ATOM 1490 N N . LEU A 1 182 ? -25.801 -5.379 1.592 1.00 13.11 ? 182 LEU A N 1 ATOM 1491 C CA . LEU A 1 182 ? -27.076 -5.320 2.285 1.00 13.40 ? 182 LEU A CA 1 ATOM 1492 C C . LEU A 1 182 ? -26.838 -5.292 3.761 1.00 12.79 ? 182 LEU A C 1 ATOM 1493 O O . LEU A 1 182 ? -26.102 -6.151 4.282 1.00 14.63 ? 182 LEU A O 1 ATOM 1494 C CB . LEU A 1 182 ? -27.914 -6.574 2.048 1.00 15.00 ? 182 LEU A CB 1 ATOM 1495 C CG . LEU A 1 182 ? -28.316 -6.749 0.608 1.00 21.34 ? 182 LEU A CG 1 ATOM 1496 C CD1 . LEU A 1 182 ? -27.206 -7.070 -0.354 1.00 26.83 ? 182 LEU A CD1 1 ATOM 1497 C CD2 . LEU A 1 182 ? -29.529 -7.780 0.572 1.00 24.42 ? 182 LEU A CD2 1 ATOM 1498 N N . LEU A 1 183 ? -27.484 -4.342 4.421 1.00 12.25 ? 183 LEU A N 1 ATOM 1499 C CA . LEU A 1 183 ? -27.275 -4.110 5.859 1.00 12.95 ? 183 LEU A CA 1 ATOM 1500 C C . LEU A 1 183 ? -28.179 -5.025 6.685 1.00 13.79 ? 183 LEU A C 1 ATOM 1501 O O . LEU A 1 183 ? -28.994 -4.558 7.446 1.00 14.09 ? 183 LEU A O 1 ATOM 1502 C CB . LEU A 1 183 ? -27.540 -2.634 6.178 1.00 13.10 ? 183 LEU A CB 1 ATOM 1503 C CG . LEU A 1 183 ? -26.713 -1.598 5.445 1.00 17.07 ? 183 LEU A CG 1 ATOM 1504 C CD1 . LEU A 1 183 ? -27.172 -0.168 5.832 1.00 19.87 ? 183 LEU A CD1 1 ATOM 1505 C CD2 . LEU A 1 183 ? -25.266 -1.849 5.793 1.00 18.96 ? 183 LEU A CD2 1 ATOM 1506 N N . THR A 1 184 ? -27.971 -6.335 6.508 1.00 13.12 ? 184 THR A N 1 ATOM 1507 C CA . THR A 1 184 ? -28.808 -7.385 7.101 1.00 13.62 ? 184 THR A CA 1 ATOM 1508 C C . THR A 1 184 ? -28.543 -7.640 8.585 1.00 13.99 ? 184 THR A C 1 ATOM 1509 O O . THR A 1 184 ? -28.336 -8.789 9.008 1.00 14.45 ? 184 THR A O 1 ATOM 1510 C CB . THR A 1 184 ? -28.639 -8.704 6.293 1.00 14.19 ? 184 THR A CB 1 ATOM 1511 O OG1 . THR A 1 184 ? -27.320 -8.796 5.725 1.00 13.15 ? 184 THR A OG1 1 ATOM 1512 C CG2 . THR A 1 184 ? -29.590 -8.719 5.062 1.00 14.22 ? 184 THR A CG2 1 ATOM 1513 N N . TYR A 1 185 ? -28.580 -6.574 9.373 1.00 13.36 ? 185 TYR A N 1 ATOM 1514 C CA . TYR A 1 185 ? -28.315 -6.693 10.799 1.00 14.96 ? 185 TYR A CA 1 ATOM 1515 C C . TYR A 1 185 ? -28.952 -5.563 11.595 1.00 15.06 ? 185 TYR A C 1 ATOM 1516 O O . TYR A 1 185 ? -28.478 -5.206 12.683 1.00 15.99 ? 185 TYR A O 1 ATOM 1517 C CB . TYR A 1 185 ? -26.814 -6.833 11.058 1.00 14.78 ? 185 TYR A CB 1 ATOM 1518 C CG . TYR A 1 185 ? -25.964 -5.809 10.360 1.00 15.24 ? 185 TYR A CG 1 ATOM 1519 C CD1 . TYR A 1 185 ? -25.989 -4.462 10.712 1.00 17.40 ? 185 TYR A CD1 1 ATOM 1520 C CD2 . TYR A 1 185 ? -25.089 -6.199 9.355 1.00 17.21 ? 185 TYR A CD2 1 ATOM 1521 C CE1 . TYR A 1 185 ? -25.144 -3.527 10.067 1.00 16.87 ? 185 TYR A CE1 1 ATOM 1522 C CE2 . TYR A 1 185 ? -24.279 -5.278 8.695 1.00 16.77 ? 185 TYR A CE2 1 ATOM 1523 C CZ . TYR A 1 185 ? -24.292 -3.955 9.056 1.00 16.65 ? 185 TYR A CZ 1 ATOM 1524 O OH . TYR A 1 185 ? -23.465 -3.072 8.420 1.00 15.64 ? 185 TYR A OH 1 ATOM 1525 N N . ASP A 1 186 ? -30.064 -5.020 11.078 1.00 14.75 ? 186 ASP A N 1 ATOM 1526 C CA . ASP A 1 186 ? -30.776 -3.934 11.794 1.00 16.28 ? 186 ASP A CA 1 ATOM 1527 C C . ASP A 1 186 ? -32.278 -4.255 11.873 1.00 16.67 ? 186 ASP A C 1 ATOM 1528 O O . ASP A 1 186 ? -33.150 -3.397 11.677 1.00 17.41 ? 186 ASP A O 1 ATOM 1529 C CB . ASP A 1 186 ? -30.519 -2.600 11.088 1.00 16.46 ? 186 ASP A CB 1 ATOM 1530 C CG . ASP A 1 186 ? -30.956 -1.396 11.892 1.00 18.70 ? 186 ASP A CG 1 ATOM 1531 O OD1 . ASP A 1 186 ? -31.024 -1.487 13.152 1.00 20.21 ? 186 ASP A OD1 1 ATOM 1532 O OD2 . ASP A 1 186 ? -31.246 -0.324 11.327 1.00 20.30 ? 186 ASP A OD2 1 ATOM 1533 N N . PHE A 1 187 ? -32.550 -5.500 12.204 1.00 16.63 ? 187 PHE A N 1 ATOM 1534 C CA . PHE A 1 187 ? -33.903 -6.033 12.172 1.00 16.95 ? 187 PHE A CA 1 ATOM 1535 C C . PHE A 1 187 ? -34.713 -5.943 13.460 1.00 19.97 ? 187 PHE A C 1 ATOM 1536 O O . PHE A 1 187 ? -35.874 -6.382 13.474 1.00 20.59 ? 187 PHE A O 1 ATOM 1537 C CB . PHE A 1 187 ? -33.889 -7.487 11.681 1.00 17.38 ? 187 PHE A CB 1 ATOM 1538 C CG . PHE A 1 187 ? -33.508 -7.642 10.222 1.00 15.85 ? 187 PHE A CG 1 ATOM 1539 C CD1 . PHE A 1 187 ? -34.277 -7.044 9.231 1.00 17.21 ? 187 PHE A CD1 1 ATOM 1540 C CD2 . PHE A 1 187 ? -32.408 -8.405 9.856 1.00 14.73 ? 187 PHE A CD2 1 ATOM 1541 C CE1 . PHE A 1 187 ? -33.946 -7.199 7.883 1.00 15.33 ? 187 PHE A CE1 1 ATOM 1542 C CE2 . PHE A 1 187 ? -32.079 -8.573 8.525 1.00 15.12 ? 187 PHE A CE2 1 ATOM 1543 C CZ . PHE A 1 187 ? -32.857 -7.980 7.532 1.00 15.88 ? 187 PHE A CZ 1 ATOM 1544 N N . HIS A 1 188 ? -34.138 -5.420 14.531 1.00 21.44 ? 188 HIS A N 1 ATOM 1545 C CA . HIS A 1 188 ? -34.935 -5.317 15.753 1.00 24.80 ? 188 HIS A CA 1 ATOM 1546 C C . HIS A 1 188 ? -35.445 -3.889 15.916 1.00 27.72 ? 188 HIS A C 1 ATOM 1547 O O . HIS A 1 188 ? -34.675 -2.957 16.121 1.00 28.16 ? 188 HIS A O 1 ATOM 1548 C CB . HIS A 1 188 ? -34.159 -5.794 16.982 1.00 24.87 ? 188 HIS A CB 1 ATOM 1549 C CG . HIS A 1 188 ? -34.961 -5.746 18.247 1.00 25.68 ? 188 HIS A CG 1 ATOM 1550 N ND1 . HIS A 1 188 ? -35.934 -6.675 18.540 1.00 28.50 ? 188 HIS A ND1 1 ATOM 1551 C CD2 . HIS A 1 188 ? -34.971 -4.852 19.262 1.00 28.04 ? 188 HIS A CD2 1 ATOM 1552 C CE1 . HIS A 1 188 ? -36.483 -6.379 19.708 1.00 25.61 ? 188 HIS A CE1 1 ATOM 1553 N NE2 . HIS A 1 188 ? -35.922 -5.275 20.164 1.00 27.08 ? 188 HIS A NE2 1 ATOM 1554 N N . GLY A 1 189 ? -36.759 -3.734 15.818 1.00 31.06 ? 189 GLY A N 1 ATOM 1555 C CA . GLY A 1 189 ? -37.383 -2.424 15.875 1.00 34.86 ? 189 GLY A CA 1 ATOM 1556 C C . GLY A 1 189 ? -37.097 -1.638 17.143 1.00 37.54 ? 189 GLY A C 1 ATOM 1557 O O . GLY A 1 189 ? -37.265 -2.143 18.259 1.00 37.70 ? 189 GLY A O 1 ATOM 1558 N N . ALA A 1 190 ? -36.670 -0.388 16.950 1.00 39.86 ? 190 ALA A N 1 ATOM 1559 C CA . ALA A 1 190 ? -36.325 0.538 18.035 1.00 41.70 ? 190 ALA A CA 1 ATOM 1560 C C . ALA A 1 190 ? -37.526 0.942 18.902 1.00 42.60 ? 190 ALA A C 1 ATOM 1561 O O . ALA A 1 190 ? -37.365 1.617 19.922 1.00 43.43 ? 190 ALA A O 1 ATOM 1562 C CB . ALA A 1 190 ? -35.651 1.774 17.467 1.00 41.78 ? 190 ALA A CB 1 ATOM 1563 N N . TRP A 1 191 ? -38.720 0.539 18.483 1.00 43.50 ? 191 TRP A N 1 ATOM 1564 C CA . TRP A 1 191 ? -39.935 0.804 19.240 1.00 44.05 ? 191 TRP A CA 1 ATOM 1565 C C . TRP A 1 191 ? -40.232 -0.348 20.194 1.00 43.49 ? 191 TRP A C 1 ATOM 1566 O O . TRP A 1 191 ? -40.956 -0.178 21.179 1.00 43.93 ? 191 TRP A O 1 ATOM 1567 C CB . TRP A 1 191 ? -41.124 0.995 18.289 1.00 44.51 ? 191 TRP A CB 1 ATOM 1568 C CG . TRP A 1 191 ? -41.258 -0.099 17.251 1.00 46.30 ? 191 TRP A CG 1 ATOM 1569 C CD1 . TRP A 1 191 ? -40.644 -0.148 16.027 1.00 47.66 ? 191 TRP A CD1 1 ATOM 1570 C CD2 . TRP A 1 191 ? -42.055 -1.289 17.342 1.00 47.97 ? 191 TRP A CD2 1 ATOM 1571 N NE1 . TRP A 1 191 ? -41.007 -1.294 15.359 1.00 47.77 ? 191 TRP A NE1 1 ATOM 1572 C CE2 . TRP A 1 191 ? -41.874 -2.011 16.141 1.00 47.66 ? 191 TRP A CE2 1 ATOM 1573 C CE3 . TRP A 1 191 ? -42.903 -1.825 18.320 1.00 49.15 ? 191 TRP A CE3 1 ATOM 1574 C CZ2 . TRP A 1 191 ? -42.506 -3.231 15.894 1.00 48.34 ? 191 TRP A CZ2 1 ATOM 1575 C CZ3 . TRP A 1 191 ? -43.531 -3.040 18.073 1.00 49.53 ? 191 TRP A CZ3 1 ATOM 1576 C CH2 . TRP A 1 191 ? -43.327 -3.728 16.868 1.00 49.31 ? 191 TRP A CH2 1 ATOM 1577 N N . ARG A 1 192 ? -39.669 -1.515 19.899 1.00 42.29 ? 192 ARG A N 1 ATOM 1578 C CA . ARG A 1 192 ? -39.978 -2.726 20.647 1.00 41.08 ? 192 ARG A CA 1 ATOM 1579 C C . ARG A 1 192 ? -39.560 -2.671 22.115 1.00 39.28 ? 192 ARG A C 1 ATOM 1580 O O . ARG A 1 192 ? -38.464 -2.247 22.453 1.00 39.11 ? 192 ARG A O 1 ATOM 1581 C CB . ARG A 1 192 ? -39.374 -3.964 19.968 1.00 41.91 ? 192 ARG A CB 1 ATOM 1582 C CG . ARG A 1 192 ? -39.720 -4.092 18.488 1.00 43.00 ? 192 ARG A CG 1 ATOM 1583 C CD . ARG A 1 192 ? -39.927 -5.530 18.011 1.00 47.47 ? 192 ARG A CD 1 ATOM 1584 N NE . ARG A 1 192 ? -41.236 -6.049 18.397 1.00 51.41 ? 192 ARG A NE 1 ATOM 1585 C CZ . ARG A 1 192 ? -41.871 -7.030 17.763 1.00 53.19 ? 192 ARG A CZ 1 ATOM 1586 N NH1 . ARG A 1 192 ? -41.317 -7.607 16.704 1.00 53.99 ? 192 ARG A NH1 1 ATOM 1587 N NH2 . ARG A 1 192 ? -43.062 -7.437 18.185 1.00 53.21 ? 192 ARG A NH2 1 ATOM 1588 N N . GLN A 1 193 ? -40.462 -3.096 22.981 1.00 37.06 ? 193 GLN A N 1 ATOM 1589 C CA . GLN A 1 193 ? -40.170 -3.117 24.406 1.00 34.53 ? 193 GLN A CA 1 ATOM 1590 C C . GLN A 1 193 ? -39.911 -4.539 24.884 1.00 31.97 ? 193 GLN A C 1 ATOM 1591 O O . GLN A 1 193 ? -40.095 -4.864 26.058 1.00 30.40 ? 193 GLN A O 1 ATOM 1592 C CB . GLN A 1 193 ? -41.309 -2.493 25.193 1.00 35.63 ? 193 GLN A CB 1 ATOM 1593 C CG . GLN A 1 193 ? -41.631 -1.066 24.744 1.00 38.91 ? 193 GLN A CG 1 ATOM 1594 C CD . GLN A 1 193 ? -43.031 -0.656 25.129 1.00 43.31 ? 193 GLN A CD 1 ATOM 1595 O OE1 . GLN A 1 193 ? -43.800 -1.477 25.630 1.00 45.55 ? 193 GLN A OE1 1 ATOM 1596 N NE2 . GLN A 1 193 ? -43.373 0.598 24.891 1.00 45.40 ? 193 GLN A NE2 1 ATOM 1597 N N . THR A 1 194 ? -39.519 -5.406 23.958 1.00 28.24 ? 194 THR A N 1 ATOM 1598 C CA . THR A 1 194 ? -39.056 -6.749 24.322 1.00 26.23 ? 194 THR A CA 1 ATOM 1599 C C . THR A 1 194 ? -37.670 -6.974 23.721 1.00 24.34 ? 194 THR A C 1 ATOM 1600 O O . THR A 1 194 ? -37.258 -6.256 22.815 1.00 23.79 ? 194 THR A O 1 ATOM 1601 C CB . THR A 1 194 ? -39.981 -7.827 23.792 1.00 26.78 ? 194 THR A CB 1 ATOM 1602 O OG1 . THR A 1 194 ? -40.037 -7.718 22.361 1.00 27.94 ? 194 THR A OG1 1 ATOM 1603 C CG2 . THR A 1 194 ? -41.430 -7.604 24.249 1.00 27.41 ? 194 THR A CG2 1 ATOM 1604 N N . VAL A 1 195 ? -36.959 -7.949 24.262 1.00 22.20 ? 195 VAL A N 1 ATOM 1605 C CA . VAL A 1 195 ? -35.727 -8.441 23.653 1.00 21.00 ? 195 VAL A CA 1 ATOM 1606 C C . VAL A 1 195 ? -36.049 -8.970 22.248 1.00 20.50 ? 195 VAL A C 1 ATOM 1607 O O . VAL A 1 195 ? -37.208 -9.254 21.906 1.00 21.49 ? 195 VAL A O 1 ATOM 1608 C CB . VAL A 1 195 ? -35.100 -9.587 24.445 1.00 20.78 ? 195 VAL A CB 1 ATOM 1609 C CG1 . VAL A 1 195 ? -34.720 -9.135 25.823 1.00 21.45 ? 195 VAL A CG1 1 ATOM 1610 C CG2 . VAL A 1 195 ? -36.036 -10.833 24.486 1.00 20.94 ? 195 VAL A CG2 1 ATOM 1611 N N . GLY A 1 196 ? -35.015 -9.092 21.425 1.00 18.94 ? 196 GLY A N 1 ATOM 1612 C CA . GLY A 1 196 ? -35.186 -9.650 20.099 1.00 17.95 ? 196 GLY A CA 1 ATOM 1613 C C . GLY A 1 196 ? -33.859 -9.587 19.372 1.00 17.93 ? 196 GLY A C 1 ATOM 1614 O O . GLY A 1 196 ? -32.968 -8.861 19.802 1.00 17.65 ? 196 GLY A O 1 ATOM 1615 N N . HIS A 1 197 ? -33.741 -10.337 18.282 1.00 17.76 ? 197 HIS A N 1 ATOM 1616 C CA . HIS A 1 197 ? -32.491 -10.380 17.525 1.00 16.56 ? 197 HIS A CA 1 ATOM 1617 C C . HIS A 1 197 ? -32.515 -9.448 16.328 1.00 17.04 ? 197 HIS A C 1 ATOM 1618 O O . HIS A 1 197 ? -33.523 -9.350 15.634 1.00 17.82 ? 197 HIS A O 1 ATOM 1619 C CB . HIS A 1 197 ? -32.171 -11.808 17.085 1.00 17.05 ? 197 HIS A CB 1 ATOM 1620 C CG . HIS A 1 197 ? -30.706 -12.093 17.049 1.00 15.85 ? 197 HIS A CG 1 ATOM 1621 N ND1 . HIS A 1 197 ? -29.856 -11.480 16.147 1.00 14.86 ? 197 HIS A ND1 1 ATOM 1622 C CD2 . HIS A 1 197 ? -29.931 -12.889 17.828 1.00 13.94 ? 197 HIS A CD2 1 ATOM 1623 C CE1 . HIS A 1 197 ? -28.619 -11.901 16.369 1.00 12.72 ? 197 HIS A CE1 1 ATOM 1624 N NE2 . HIS A 1 197 ? -28.637 -12.753 17.385 1.00 14.82 ? 197 HIS A NE2 1 ATOM 1625 N N . HIS A 1 198 ? -31.401 -8.750 16.128 1.00 15.81 ? 198 HIS A N 1 ATOM 1626 C CA . HIS A 1 198 ? -31.277 -7.771 15.050 1.00 15.07 ? 198 HIS A CA 1 ATOM 1627 C C . HIS A 1 198 ? -30.710 -8.388 13.783 1.00 14.84 ? 198 HIS A C 1 ATOM 1628 O O . HIS A 1 198 ? -30.772 -7.750 12.734 1.00 14.54 ? 198 HIS A O 1 ATOM 1629 C CB . HIS A 1 198 ? -30.349 -6.657 15.492 1.00 15.33 ? 198 HIS A CB 1 ATOM 1630 C CG . HIS A 1 198 ? -29.072 -7.191 16.012 1.00 16.09 ? 198 HIS A CG 1 ATOM 1631 N ND1 . HIS A 1 198 ? -27.909 -7.238 15.279 1.00 19.69 ? 198 HIS A ND1 1 ATOM 1632 C CD2 . HIS A 1 198 ? -28.829 -7.871 17.156 1.00 13.68 ? 198 HIS A CD2 1 ATOM 1633 C CE1 . HIS A 1 198 ? -26.980 -7.877 15.988 1.00 14.04 ? 198 HIS A CE1 1 ATOM 1634 N NE2 . HIS A 1 198 ? -27.523 -8.273 17.122 1.00 20.65 ? 198 HIS A NE2 1 ATOM 1635 N N . SER A 1 199 ? -30.176 -9.610 13.857 1.00 13.78 ? 199 SER A N 1 ATOM 1636 C CA . SER A 1 199 ? -29.617 -10.202 12.645 1.00 13.90 ? 199 SER A CA 1 ATOM 1637 C C . SER A 1 199 ? -30.059 -11.642 12.370 1.00 14.55 ? 199 SER A C 1 ATOM 1638 O O . SER A 1 199 ? -29.267 -12.479 11.945 1.00 15.24 ? 199 SER A O 1 ATOM 1639 C CB . SER A 1 199 ? -28.091 -10.120 12.696 1.00 14.00 ? 199 SER A CB 1 ATOM 1640 O OG . SER A 1 199 ? -27.608 -10.984 13.725 1.00 16.24 ? 199 SER A OG 1 ATOM 1641 N N . PRO A 1 200 ? -31.329 -11.961 12.561 1.00 14.31 ? 200 PRO A N 1 ATOM 1642 C CA . PRO A 1 200 ? -31.741 -13.356 12.338 1.00 14.85 ? 200 PRO A CA 1 ATOM 1643 C C . PRO A 1 200 ? -31.699 -13.695 10.849 1.00 15.01 ? 200 PRO A C 1 ATOM 1644 O O . PRO A 1 200 ? -31.963 -12.821 10.011 1.00 16.79 ? 200 PRO A O 1 ATOM 1645 C CB . PRO A 1 200 ? -33.194 -13.372 12.814 1.00 15.18 ? 200 PRO A CB 1 ATOM 1646 C CG . PRO A 1 200 ? -33.681 -11.985 12.569 1.00 13.82 ? 200 PRO A CG 1 ATOM 1647 C CD . PRO A 1 200 ? -32.464 -11.058 12.867 1.00 15.09 ? 200 PRO A CD 1 ATOM 1648 N N . LEU A 1 201 ? -31.358 -14.932 10.530 1.00 15.19 ? 201 LEU A N 1 ATOM 1649 C CA . LEU A 1 201 ? -31.358 -15.344 9.135 1.00 15.73 ? 201 LEU A CA 1 ATOM 1650 C C . LEU A 1 201 ? -32.795 -15.600 8.638 1.00 16.31 ? 201 LEU A C 1 ATOM 1651 O O . LEU A 1 201 ? -33.138 -15.230 7.514 1.00 15.50 ? 201 LEU A O 1 ATOM 1652 C CB . LEU A 1 201 ? -30.504 -16.596 8.969 1.00 15.39 ? 201 LEU A CB 1 ATOM 1653 C CG . LEU A 1 201 ? -30.389 -17.122 7.541 1.00 14.97 ? 201 LEU A CG 1 ATOM 1654 C CD1 . LEU A 1 201 ? -29.871 -15.997 6.587 1.00 15.68 ? 201 LEU A CD1 1 ATOM 1655 C CD2 . LEU A 1 201 ? -29.402 -18.293 7.524 1.00 16.96 ? 201 LEU A CD2 1 ATOM 1656 N N . PHE A 1 202 ? -33.617 -16.226 9.487 1.00 17.38 ? 202 PHE A N 1 ATOM 1657 C CA . PHE A 1 202 ? -35.021 -16.532 9.172 1.00 18.76 ? 202 PHE A CA 1 ATOM 1658 C C . PHE A 1 202 ? -35.952 -15.995 10.242 1.00 20.77 ? 202 PHE A C 1 ATOM 1659 O O . PHE A 1 202 ? -35.502 -15.572 11.311 1.00 21.01 ? 202 PHE A O 1 ATOM 1660 C CB . PHE A 1 202 ? -35.230 -18.036 9.059 1.00 18.87 ? 202 PHE A CB 1 ATOM 1661 C CG . PHE A 1 202 ? -34.413 -18.663 7.976 1.00 17.59 ? 202 PHE A CG 1 ATOM 1662 C CD1 . PHE A 1 202 ? -34.743 -18.431 6.647 1.00 18.34 ? 202 PHE A CD1 1 ATOM 1663 C CD2 . PHE A 1 202 ? -33.291 -19.439 8.265 1.00 19.44 ? 202 PHE A CD2 1 ATOM 1664 C CE1 . PHE A 1 202 ? -33.978 -18.986 5.618 1.00 19.80 ? 202 PHE A CE1 1 ATOM 1665 C CE2 . PHE A 1 202 ? -32.526 -20.007 7.236 1.00 19.69 ? 202 PHE A CE2 1 ATOM 1666 C CZ . PHE A 1 202 ? -32.873 -19.774 5.918 1.00 19.58 ? 202 PHE A CZ 1 ATOM 1667 N N . ARG A 1 203 ? -37.256 -15.993 9.952 1.00 22.89 ? 203 ARG A N 1 ATOM 1668 C CA . ARG A 1 203 ? -38.216 -15.500 10.935 1.00 26.62 ? 203 ARG A CA 1 ATOM 1669 C C . ARG A 1 203 ? -38.309 -16.389 12.166 1.00 28.88 ? 203 ARG A C 1 ATOM 1670 O O . ARG A 1 203 ? -37.967 -17.571 12.118 1.00 28.49 ? 203 ARG A O 1 ATOM 1671 C CB . ARG A 1 203 ? -39.601 -15.288 10.313 1.00 27.29 ? 203 ARG A CB 1 ATOM 1672 C CG . ARG A 1 203 ? -40.338 -16.538 9.895 1.00 30.62 ? 203 ARG A CG 1 ATOM 1673 C CD . ARG A 1 203 ? -41.833 -16.263 9.583 1.00 36.79 ? 203 ARG A CD 1 ATOM 1674 N NE . ARG A 1 203 ? -42.456 -15.440 10.634 1.00 40.73 ? 203 ARG A NE 1 ATOM 1675 C CZ . ARG A 1 203 ? -43.725 -15.008 10.636 1.00 43.44 ? 203 ARG A CZ 1 ATOM 1676 N NH1 . ARG A 1 203 ? -44.549 -15.310 9.636 1.00 43.40 ? 203 ARG A NH1 1 ATOM 1677 N NH2 . ARG A 1 203 ? -44.174 -14.270 11.647 1.00 43.85 ? 203 ARG A NH2 1 ATOM 1678 N N . GLY A 1 204 ? -38.753 -15.797 13.274 1.00 32.53 ? 204 GLY A N 1 ATOM 1679 C CA . GLY A 1 204 ? -38.943 -16.528 14.524 1.00 37.72 ? 204 GLY A CA 1 ATOM 1680 C C . GLY A 1 204 ? -40.292 -17.236 14.597 1.00 41.57 ? 204 GLY A C 1 ATOM 1681 O O . GLY A 1 204 ? -41.230 -16.870 13.894 1.00 41.80 ? 204 GLY A O 1 ATOM 1682 N N . ASN A 1 205 ? -40.381 -18.238 15.467 1.00 45.65 ? 205 ASN A N 1 ATOM 1683 C CA . ASN A 1 205 ? -41.582 -19.067 15.632 1.00 49.72 ? 205 ASN A CA 1 ATOM 1684 C C . ASN A 1 205 ? -42.880 -18.235 15.851 1.00 51.90 ? 205 ASN A C 1 ATOM 1685 O O . ASN A 1 205 ? -43.816 -18.374 15.069 1.00 52.44 ? 205 ASN A O 1 ATOM 1686 C CB . ASN A 1 205 ? -41.377 -20.051 16.790 1.00 50.06 ? 205 ASN A CB 1 ATOM 1687 C CG . ASN A 1 205 ? -42.427 -21.163 16.825 1.00 51.74 ? 205 ASN A CG 1 ATOM 1688 O OD1 . ASN A 1 205 ? -43.595 -20.957 16.468 1.00 53.87 ? 205 ASN A OD1 1 ATOM 1689 N ND2 . ASN A 1 205 ? -42.011 -22.353 17.269 1.00 53.60 ? 205 ASN A ND2 1 ATOM 1690 N N . GLU A 1 206 ? -42.907 -17.329 16.882 1.00 54.73 ? 206 GLU A N 1 ATOM 1691 C CA . GLU A 1 206 ? -44.166 -16.513 17.173 1.00 57.36 ? 206 GLU A CA 1 ATOM 1692 C C . GLU A 1 206 ? -43.973 -14.971 17.389 1.00 58.66 ? 206 GLU A C 1 ATOM 1693 O O . GLU A 1 206 ? -42.909 -14.535 17.846 1.00 59.00 ? 206 GLU A O 1 ATOM 1694 C CB . GLU A 1 206 ? -44.893 -17.094 18.416 1.00 57.53 ? 206 GLU A CB 1 ATOM 1695 C CG . GLU A 1 206 ? -45.602 -18.465 18.233 1.00 59.22 ? 206 GLU A CG 1 ATOM 1696 C CD . GLU A 1 206 ? -46.713 -18.809 19.249 1.00 60.77 ? 206 GLU A CD 1 ATOM 1697 O OE1 . GLU A 1 206 ? -46.408 -18.942 20.454 1.00 61.84 ? 206 GLU A OE1 1 ATOM 1698 O OE2 . GLU A 1 206 ? -47.870 -18.933 18.808 1.00 61.26 ? 206 GLU A OE2 1 ATOM 1699 N N . ASP A 1 207 ? -45.033 -14.180 17.140 1.00 60.23 ? 207 ASP A N 1 ATOM 1700 C CA . ASP A 1 207 ? -45.047 -12.738 17.386 1.00 61.62 ? 207 ASP A CA 1 ATOM 1701 C C . ASP A 1 207 ? -43.888 -11.953 16.697 1.00 62.41 ? 207 ASP A C 1 ATOM 1702 O O . ASP A 1 207 ? -43.480 -10.923 17.226 1.00 62.52 ? 207 ASP A O 1 ATOM 1703 C CB . ASP A 1 207 ? -45.097 -12.434 18.952 1.00 61.72 ? 207 ASP A CB 1 ATOM 1704 C CG . ASP A 1 207 ? -45.829 -11.156 19.424 1.00 62.34 ? 207 ASP A CG 1 ATOM 1705 O OD1 . ASP A 1 207 ? -47.086 -11.133 19.385 1.00 62.28 ? 207 ASP A OD1 1 ATOM 1706 O OD2 . ASP A 1 207 ? -45.148 -10.197 19.824 1.00 62.46 ? 207 ASP A OD2 1 ATOM 1707 N N . ALA A 1 208 ? -43.357 -12.413 15.559 1.00 63.35 ? 208 ALA A N 1 ATOM 1708 C CA . ALA A 1 208 ? -42.273 -11.665 14.883 1.00 64.16 ? 208 ALA A CA 1 ATOM 1709 C C . ALA A 1 208 ? -42.886 -10.311 14.422 1.00 64.74 ? 208 ALA A C 1 ATOM 1710 O O . ALA A 1 208 ? -44.114 -10.232 14.336 1.00 65.00 ? 208 ALA A O 1 ATOM 1711 C CB . ALA A 1 208 ? -41.680 -12.444 13.721 1.00 64.06 ? 208 ALA A CB 1 ATOM 1712 N N . SER A 1 209 ? -42.107 -9.237 14.120 1.00 65.28 ? 209 SER A N 1 ATOM 1713 C CA . SER A 1 209 ? -42.766 -8.066 13.572 1.00 65.64 ? 209 SER A CA 1 ATOM 1714 C C . SER A 1 209 ? -43.105 -8.462 12.170 1.00 65.64 ? 209 SER A C 1 ATOM 1715 O O . SER A 1 209 ? -44.267 -8.810 11.916 1.00 65.64 ? 209 SER A O 1 ATOM 1716 C CB . SER A 1 209 ? -41.967 -6.742 13.452 1.00 65.75 ? 209 SER A CB 1 ATOM 1717 O OG . SER A 1 209 ? -42.622 -5.811 12.616 1.00 66.19 ? 209 SER A OG 1 ATOM 1718 N N . SER A 1 210 ? -42.227 -8.412 11.275 1.00 65.65 ? 210 SER A N 1 ATOM 1719 C CA . SER A 1 210 ? -42.709 -8.759 9.984 1.00 65.57 ? 210 SER A CA 1 ATOM 1720 C C . SER A 1 210 ? -42.053 -10.023 9.511 1.00 65.69 ? 210 SER A C 1 ATOM 1721 O O . SER A 1 210 ? -40.913 -10.252 9.882 1.00 65.84 ? 210 SER A O 1 ATOM 1722 C CB . SER A 1 210 ? -42.444 -7.609 8.993 1.00 65.68 ? 210 SER A CB 1 ATOM 1723 O OG . SER A 1 210 ? -41.576 -6.638 9.549 1.00 64.80 ? 210 SER A OG 1 ATOM 1724 N N . ARG A 1 211 ? -42.690 -10.842 8.734 1.00 29.70 ? 212 ARG A N 1 ATOM 1725 C CA . ARG A 1 211 ? -41.980 -11.981 8.206 1.00 29.34 ? 212 ARG A CA 1 ATOM 1726 C C . ARG A 1 211 ? -40.977 -11.376 7.249 1.00 27.06 ? 212 ARG A C 1 ATOM 1727 O O . ARG A 1 211 ? -40.461 -12.036 6.333 1.00 25.63 ? 212 ARG A O 1 ATOM 1728 C CB . ARG A 1 211 ? -42.890 -12.802 7.398 1.00 30.81 ? 212 ARG A CB 1 ATOM 1729 C CG . ARG A 1 211 ? -43.521 -11.744 6.523 1.00 33.35 ? 212 ARG A CG 1 ATOM 1730 C CD . ARG A 1 211 ? -44.964 -12.009 6.351 1.00 38.95 ? 212 ARG A CD 1 ATOM 1731 N NE . ARG A 1 211 ? -44.992 -12.840 5.191 1.00 44.13 ? 212 ARG A NE 1 ATOM 1732 C CZ . ARG A 1 211 ? -45.560 -12.517 4.063 1.00 44.81 ? 212 ARG A CZ 1 ATOM 1733 N NH1 . ARG A 1 211 ? -46.178 -11.367 3.933 1.00 46.61 ? 212 ARG A NH1 1 ATOM 1734 N NH2 . ARG A 1 211 ? -45.525 -13.348 3.024 1.00 45.92 ? 212 ARG A NH2 1 ATOM 1735 N N . PHE A 1 212 ? -40.724 -10.091 7.477 1.00 25.56 ? 213 PHE A N 1 ATOM 1736 C CA . PHE A 1 212 ? -39.826 -9.358 6.621 1.00 23.54 ? 213 PHE A CA 1 ATOM 1737 C C . PHE A 1 212 ? -38.539 -9.040 7.328 1.00 22.76 ? 213 PHE A C 1 ATOM 1738 O O . PHE A 1 212 ? -37.546 -8.719 6.688 1.00 21.81 ? 213 PHE A O 1 ATOM 1739 C CB . PHE A 1 212 ? -40.432 -8.009 6.233 1.00 23.25 ? 213 PHE A CB 1 ATOM 1740 C CG . PHE A 1 212 ? -41.750 -8.009 5.524 1.00 25.95 ? 213 PHE A CG 1 ATOM 1741 C CD1 . PHE A 1 212 ? -42.048 -9.029 4.654 1.00 26.11 ? 213 PHE A CD1 1 ATOM 1742 C CD2 . PHE A 1 212 ? -42.668 -7.005 5.726 1.00 28.60 ? 213 PHE A CD2 1 ATOM 1743 C CE1 . PHE A 1 212 ? -43.264 -9.055 3.982 1.00 28.38 ? 213 PHE A CE1 1 ATOM 1744 C CE2 . PHE A 1 212 ? -43.873 -7.016 5.062 1.00 30.58 ? 213 PHE A CE2 1 ATOM 1745 C CZ . PHE A 1 212 ? -44.162 -8.057 4.189 1.00 29.50 ? 213 PHE A CZ 1 ATOM 1746 N N . SER A 1 213 ? -38.554 -9.129 8.663 1.00 20.84 ? 214 SER A N 1 ATOM 1747 C CA . SER A 1 213 ? -37.382 -8.637 9.422 1.00 20.81 ? 214 SER A CA 1 ATOM 1748 C C . SER A 1 213 ? -36.318 -9.688 9.662 1.00 18.69 ? 214 SER A C 1 ATOM 1749 O O . SER A 1 213 ? -35.990 -10.031 10.817 1.00 18.59 ? 214 SER A O 1 ATOM 1750 C CB . SER A 1 213 ? -37.819 -8.009 10.747 1.00 21.36 ? 214 SER A CB 1 ATOM 1751 O OG . SER A 1 213 ? -38.524 -6.795 10.484 1.00 28.45 ? 214 SER A OG 1 ATOM 1752 N N . ASN A 1 214 ? -35.773 -10.199 8.559 1.00 16.85 ? 215 ASN A N 1 ATOM 1753 C CA . ASN A 1 214 ? -34.764 -11.246 8.623 1.00 16.16 ? 215 ASN A CA 1 ATOM 1754 C C . ASN A 1 214 ? -33.936 -11.230 7.346 1.00 15.32 ? 215 ASN A C 1 ATOM 1755 O O . ASN A 1 214 ? -34.392 -10.735 6.322 1.00 15.36 ? 215 ASN A O 1 ATOM 1756 C CB . ASN A 1 214 ? -35.381 -12.634 8.873 1.00 15.66 ? 215 ASN A CB 1 ATOM 1757 C CG . ASN A 1 214 ? -36.450 -12.996 7.838 1.00 17.54 ? 215 ASN A CG 1 ATOM 1758 O OD1 . ASN A 1 214 ? -36.130 -13.443 6.742 1.00 16.39 ? 215 ASN A OD1 1 ATOM 1759 N ND2 . ASN A 1 214 ? -37.723 -12.833 8.215 1.00 18.35 ? 215 ASN A ND2 1 ATOM 1760 N N . ALA A 1 215 ? -32.717 -11.765 7.410 1.00 14.67 ? 216 ALA A N 1 ATOM 1761 C CA . ALA A 1 215 ? -31.806 -11.652 6.270 1.00 14.32 ? 216 ALA A CA 1 ATOM 1762 C C . ALA A 1 215 ? -32.327 -12.358 5.019 1.00 15.03 ? 216 ALA A C 1 ATOM 1763 O O . ALA A 1 215 ? -32.163 -11.846 3.906 1.00 15.04 ? 216 ALA A O 1 ATOM 1764 C CB . ALA A 1 215 ? -30.410 -12.145 6.672 1.00 13.86 ? 216 ALA A CB 1 ATOM 1765 N N . ASP A 1 216 ? -32.944 -13.529 5.205 1.00 15.06 ? 217 ASP A N 1 ATOM 1766 C CA . ASP A 1 216 ? -33.440 -14.285 4.064 1.00 15.46 ? 217 ASP A CA 1 ATOM 1767 C C . ASP A 1 216 ? -34.504 -13.489 3.325 1.00 15.25 ? 217 ASP A C 1 ATOM 1768 O O . ASP A 1 216 ? -34.498 -13.449 2.090 1.00 15.43 ? 217 ASP A O 1 ATOM 1769 C CB . ASP A 1 216 ? -34.007 -15.623 4.531 1.00 15.14 ? 217 ASP A CB 1 ATOM 1770 C CG . ASP A 1 216 ? -34.770 -16.336 3.439 1.00 14.99 ? 217 ASP A CG 1 ATOM 1771 O OD1 . ASP A 1 216 ? -34.150 -16.907 2.518 1.00 16.63 ? 217 ASP A OD1 1 ATOM 1772 O OD2 . ASP A 1 216 ? -36.009 -16.339 3.452 1.00 17.20 ? 217 ASP A OD2 1 ATOM 1773 N N . TYR A 1 217 ? -35.410 -12.830 4.052 1.00 15.47 ? 218 TYR A N 1 ATOM 1774 C CA . TYR A 1 217 ? -36.433 -12.038 3.360 1.00 16.35 ? 218 TYR A CA 1 ATOM 1775 C C . TYR A 1 217 ? -35.755 -10.937 2.509 1.00 15.85 ? 218 TYR A C 1 ATOM 1776 O O . TYR A 1 217 ? -36.069 -10.753 1.339 1.00 16.15 ? 218 TYR A O 1 ATOM 1777 C CB . TYR A 1 217 ? -37.456 -11.401 4.307 1.00 15.50 ? 218 TYR A CB 1 ATOM 1778 C CG . TYR A 1 217 ? -38.507 -10.692 3.496 1.00 16.82 ? 218 TYR A CG 1 ATOM 1779 C CD1 . TYR A 1 217 ? -39.605 -11.385 3.034 1.00 18.75 ? 218 TYR A CD1 1 ATOM 1780 C CD2 . TYR A 1 217 ? -38.349 -9.374 3.109 1.00 17.51 ? 218 TYR A CD2 1 ATOM 1781 C CE1 . TYR A 1 217 ? -40.535 -10.779 2.235 1.00 19.59 ? 218 TYR A CE1 1 ATOM 1782 C CE2 . TYR A 1 217 ? -39.275 -8.747 2.310 1.00 17.58 ? 218 TYR A CE2 1 ATOM 1783 C CZ . TYR A 1 217 ? -40.386 -9.456 1.881 1.00 19.76 ? 218 TYR A CZ 1 ATOM 1784 O OH . TYR A 1 217 ? -41.346 -8.865 1.086 1.00 21.31 ? 218 TYR A OH 1 ATOM 1785 N N . ALA A 1 218 ? -34.797 -10.227 3.110 1.00 14.67 ? 219 ALA A N 1 ATOM 1786 C CA . ALA A 1 218 ? -34.135 -9.134 2.428 1.00 14.23 ? 219 ALA A CA 1 ATOM 1787 C C . ALA A 1 218 ? -33.409 -9.582 1.174 1.00 14.09 ? 219 ALA A C 1 ATOM 1788 O O . ALA A 1 218 ? -33.504 -8.938 0.134 1.00 13.89 ? 219 ALA A O 1 ATOM 1789 C CB . ALA A 1 218 ? -33.149 -8.425 3.405 1.00 14.14 ? 219 ALA A CB 1 ATOM 1790 N N . VAL A 1 219 ? -32.699 -10.698 1.272 1.00 13.28 ? 220 VAL A N 1 ATOM 1791 C CA . VAL A 1 219 ? -31.986 -11.238 0.119 1.00 14.87 ? 220 VAL A CA 1 ATOM 1792 C C . VAL A 1 219 ? -32.983 -11.599 -0.966 1.00 15.81 ? 220 VAL A C 1 ATOM 1793 O O . VAL A 1 219 ? -32.807 -11.206 -2.111 1.00 16.04 ? 220 VAL A O 1 ATOM 1794 C CB . VAL A 1 219 ? -31.131 -12.447 0.499 1.00 15.05 ? 220 VAL A CB 1 ATOM 1795 C CG1 . VAL A 1 219 ? -30.557 -13.183 -0.773 1.00 14.20 ? 220 VAL A CG1 1 ATOM 1796 C CG2 . VAL A 1 219 ? -29.945 -12.004 1.390 1.00 15.11 ? 220 VAL A CG2 1 ATOM 1797 N N . SER A 1 220 ? -34.021 -12.350 -0.608 1.00 16.38 ? 221 SER A N 1 ATOM 1798 C CA . SER A 1 220 ? -35.015 -12.694 -1.620 1.00 16.07 ? 221 SER A CA 1 ATOM 1799 C C . SER A 1 220 ? -35.659 -11.491 -2.265 1.00 16.60 ? 221 SER A C 1 ATOM 1800 O O . SER A 1 220 ? -35.920 -11.502 -3.477 1.00 17.90 ? 221 SER A O 1 ATOM 1801 C CB . SER A 1 220 ? -36.088 -13.613 -1.044 1.00 17.50 ? 221 SER A CB 1 ATOM 1802 O OG . SER A 1 220 ? -35.447 -14.833 -0.761 1.00 16.88 ? 221 SER A OG 1 ATOM 1803 N N . TYR A 1 221 ? -35.937 -10.470 -1.461 1.00 16.01 ? 222 TYR A N 1 ATOM 1804 C CA . TYR A 1 221 ? -36.609 -9.280 -1.944 1.00 15.87 ? 222 TYR A CA 1 ATOM 1805 C C . TYR A 1 221 ? -35.710 -8.550 -2.944 1.00 16.81 ? 222 TYR A C 1 ATOM 1806 O O . TYR A 1 221 ? -36.163 -8.113 -3.986 1.00 16.68 ? 222 TYR A O 1 ATOM 1807 C CB . TYR A 1 221 ? -36.971 -8.361 -0.773 1.00 16.40 ? 222 TYR A CB 1 ATOM 1808 C CG . TYR A 1 221 ? -38.023 -7.352 -1.115 1.00 18.13 ? 222 TYR A CG 1 ATOM 1809 C CD1 . TYR A 1 221 ? -39.241 -7.756 -1.653 1.00 20.41 ? 222 TYR A CD1 1 ATOM 1810 C CD2 . TYR A 1 221 ? -37.832 -5.996 -0.858 1.00 17.84 ? 222 TYR A CD2 1 ATOM 1811 C CE1 . TYR A 1 221 ? -40.226 -6.839 -1.943 1.00 22.95 ? 222 TYR A CE1 1 ATOM 1812 C CE2 . TYR A 1 221 ? -38.822 -5.058 -1.159 1.00 19.69 ? 222 TYR A CE2 1 ATOM 1813 C CZ . TYR A 1 221 ? -40.019 -5.502 -1.697 1.00 21.37 ? 222 TYR A CZ 1 ATOM 1814 O OH . TYR A 1 221 ? -41.008 -4.595 -2.002 1.00 22.88 ? 222 TYR A OH 1 ATOM 1815 N N . MET A 1 222 ? -34.423 -8.417 -2.621 1.00 15.67 ? 223 MET A N 1 ATOM 1816 C CA . MET A 1 222 ? -33.525 -7.745 -3.546 1.00 16.46 ? 223 MET A CA 1 ATOM 1817 C C . MET A 1 222 ? -33.428 -8.473 -4.887 1.00 17.31 ? 223 MET A C 1 ATOM 1818 O O . MET A 1 222 ? -33.358 -7.839 -5.939 1.00 18.63 ? 223 MET A O 1 ATOM 1819 C CB . MET A 1 222 ? -32.136 -7.617 -2.928 1.00 15.65 ? 223 MET A CB 1 ATOM 1820 C CG . MET A 1 222 ? -32.170 -6.704 -1.720 1.00 16.27 ? 223 MET A CG 1 ATOM 1821 S SD . MET A 1 222 ? -32.129 -4.961 -2.293 1.00 20.86 ? 223 MET A SD 1 ATOM 1822 C CE . MET A 1 222 ? -30.491 -4.776 -2.659 1.00 22.89 ? 223 MET A CE 1 ATOM 1823 N N . LEU A 1 223 ? -33.382 -9.799 -4.843 1.00 17.66 ? 224 LEU A N 1 ATOM 1824 C CA . LEU A 1 223 ? -33.339 -10.582 -6.078 1.00 18.17 ? 224 LEU A CA 1 ATOM 1825 C C . LEU A 1 223 ? -34.631 -10.351 -6.848 1.00 19.09 ? 224 LEU A C 1 ATOM 1826 O O . LEU A 1 223 ? -34.609 -10.157 -8.079 1.00 19.81 ? 224 LEU A O 1 ATOM 1827 C CB . LEU A 1 223 ? -33.143 -12.072 -5.790 1.00 17.85 ? 224 LEU A CB 1 ATOM 1828 C CG . LEU A 1 223 ? -31.819 -12.462 -5.138 1.00 18.04 ? 224 LEU A CG 1 ATOM 1829 C CD1 . LEU A 1 223 ? -31.899 -13.907 -4.564 1.00 21.24 ? 224 LEU A CD1 1 ATOM 1830 C CD2 . LEU A 1 223 ? -30.686 -12.338 -6.128 1.00 19.49 ? 224 LEU A CD2 1 ATOM 1831 N N . ARG A 1 224 ? -35.750 -10.308 -6.132 1.00 19.54 ? 225 ARG A N 1 ATOM 1832 C CA . ARG A 1 224 ? -37.052 -10.111 -6.760 1.00 20.81 ? 225 ARG A CA 1 ATOM 1833 C C . ARG A 1 224 ? -37.158 -8.736 -7.406 1.00 21.11 ? 225 ARG A C 1 ATOM 1834 O O . ARG A 1 224 ? -37.732 -8.581 -8.502 1.00 21.46 ? 225 ARG A O 1 ATOM 1835 C CB . ARG A 1 224 ? -38.169 -10.345 -5.750 1.00 21.42 ? 225 ARG A CB 1 ATOM 1836 C CG . ARG A 1 224 ? -39.544 -10.054 -6.293 1.00 25.27 ? 225 ARG A CG 1 ATOM 1837 C CD . ARG A 1 224 ? -40.018 -8.642 -6.020 1.00 30.46 ? 225 ARG A CD 1 ATOM 1838 N NE . ARG A 1 224 ? -41.434 -8.628 -5.689 1.00 38.69 ? 225 ARG A NE 1 ATOM 1839 C CZ . ARG A 1 224 ? -42.421 -8.612 -6.567 1.00 40.88 ? 225 ARG A CZ 1 ATOM 1840 N NH1 . ARG A 1 224 ? -42.175 -8.588 -7.873 1.00 44.15 ? 225 ARG A NH1 1 ATOM 1841 N NH2 . ARG A 1 224 ? -43.668 -8.621 -6.133 1.00 42.55 ? 225 ARG A NH2 1 ATOM 1842 N N . LEU A 1 225 ? -36.540 -7.738 -6.771 1.00 20.09 ? 226 LEU A N 1 ATOM 1843 C CA . LEU A 1 225 ? -36.524 -6.395 -7.328 1.00 19.79 ? 226 LEU A CA 1 ATOM 1844 C C . LEU A 1 225 ? -35.556 -6.213 -8.485 1.00 19.78 ? 226 LEU A C 1 ATOM 1845 O O . LEU A 1 225 ? -35.502 -5.128 -9.063 1.00 22.71 ? 226 LEU A O 1 ATOM 1846 C CB . LEU A 1 225 ? -36.185 -5.363 -6.263 1.00 19.20 ? 226 LEU A CB 1 ATOM 1847 C CG . LEU A 1 225 ? -37.236 -5.210 -5.171 1.00 19.38 ? 226 LEU A CG 1 ATOM 1848 C CD1 . LEU A 1 225 ? -36.704 -4.310 -4.097 1.00 21.35 ? 226 LEU A CD1 1 ATOM 1849 C CD2 . LEU A 1 225 ? -38.590 -4.665 -5.726 1.00 19.00 ? 226 LEU A CD2 1 ATOM 1850 N N . GLY A 1 226 ? -34.769 -7.223 -8.788 1.00 20.21 ? 227 GLY A N 1 ATOM 1851 C CA . GLY A 1 226 ? -33.901 -7.137 -9.938 1.00 21.50 ? 227 GLY A CA 1 ATOM 1852 C C . GLY A 1 226 ? -32.428 -6.955 -9.689 1.00 21.73 ? 227 GLY A C 1 ATOM 1853 O O . GLY A 1 226 ? -31.683 -6.721 -10.644 1.00 23.39 ? 227 GLY A O 1 ATOM 1854 N N . ALA A 1 227 ? -31.989 -7.004 -8.435 1.00 21.30 ? 228 ALA A N 1 ATOM 1855 C CA . ALA A 1 227 ? -30.548 -7.032 -8.186 1.00 20.98 ? 228 ALA A CA 1 ATOM 1856 C C . ALA A 1 227 ? -30.032 -8.401 -8.590 1.00 21.12 ? 228 ALA A C 1 ATOM 1857 O O . ALA A 1 227 ? -30.548 -9.407 -8.110 1.00 21.43 ? 228 ALA A O 1 ATOM 1858 C CB . ALA A 1 227 ? -30.258 -6.787 -6.716 1.00 19.84 ? 228 ALA A CB 1 ATOM 1859 N N . PRO A 1 228 ? -29.053 -8.473 -9.475 1.00 20.27 ? 229 PRO A N 1 ATOM 1860 C CA . PRO A 1 228 ? -28.462 -9.772 -9.822 1.00 20.20 ? 229 PRO A CA 1 ATOM 1861 C C . PRO A 1 228 ? -27.766 -10.344 -8.592 1.00 19.45 ? 229 PRO A C 1 ATOM 1862 O O . PRO A 1 228 ? -27.152 -9.589 -7.827 1.00 17.91 ? 229 PRO A O 1 ATOM 1863 C CB . PRO A 1 228 ? -27.405 -9.426 -10.876 1.00 20.64 ? 229 PRO A CB 1 ATOM 1864 C CG . PRO A 1 228 ? -27.790 -8.052 -11.391 1.00 22.28 ? 229 PRO A CG 1 ATOM 1865 C CD . PRO A 1 228 ? -28.442 -7.354 -10.211 1.00 21.50 ? 229 PRO A CD 1 ATOM 1866 N N . ALA A 1 229 ? -27.822 -11.660 -8.430 1.00 18.86 ? 230 ALA A N 1 ATOM 1867 C CA . ALA A 1 229 ? -27.143 -12.307 -7.318 1.00 18.80 ? 230 ALA A CA 1 ATOM 1868 C C . ALA A 1 229 ? -25.668 -11.951 -7.281 1.00 18.80 ? 230 ALA A C 1 ATOM 1869 O O . ALA A 1 229 ? -25.094 -11.771 -6.195 1.00 18.24 ? 230 ALA A O 1 ATOM 1870 C CB . ALA A 1 229 ? -27.315 -13.820 -7.401 1.00 18.70 ? 230 ALA A CB 1 ATOM 1871 N N . ASN A 1 230 ? -25.053 -11.815 -8.455 1.00 18.50 ? 231 ASN A N 1 ATOM 1872 C CA . ASN A 1 230 ? -23.631 -11.560 -8.529 1.00 19.09 ? 231 ASN A CA 1 ATOM 1873 C C . ASN A 1 230 ? -23.257 -10.111 -8.194 1.00 18.24 ? 231 ASN A C 1 ATOM 1874 O O . ASN A 1 230 ? -22.101 -9.762 -8.246 1.00 18.59 ? 231 ASN A O 1 ATOM 1875 C CB . ASN A 1 230 ? -23.057 -12.023 -9.878 1.00 19.98 ? 231 ASN A CB 1 ATOM 1876 C CG . ASN A 1 230 ? -23.524 -11.171 -11.061 1.00 21.20 ? 231 ASN A CG 1 ATOM 1877 O OD1 . ASN A 1 230 ? -24.142 -10.123 -10.911 1.00 22.71 ? 231 ASN A OD1 1 ATOM 1878 N ND2 . ASN A 1 230 ? -23.189 -11.635 -12.279 1.00 28.38 ? 231 ASN A ND2 1 ATOM 1879 N N . LYS A 1 231 ? -24.261 -9.309 -7.842 1.00 18.25 ? 232 LYS A N 1 ATOM 1880 C CA . LYS A 1 231 ? -24.028 -7.922 -7.393 1.00 18.52 ? 232 LYS A CA 1 ATOM 1881 C C . LYS A 1 231 ? -24.341 -7.810 -5.890 1.00 17.94 ? 232 LYS A C 1 ATOM 1882 O O . LYS A 1 231 ? -24.092 -6.767 -5.299 1.00 18.39 ? 232 LYS A O 1 ATOM 1883 C CB . LYS A 1 231 ? -24.917 -6.909 -8.130 1.00 18.99 ? 232 LYS A CB 1 ATOM 1884 C CG . LYS A 1 231 ? -24.586 -6.658 -9.640 1.00 20.77 ? 232 LYS A CG 1 ATOM 1885 C CD . LYS A 1 231 ? -23.231 -6.060 -9.834 1.00 21.72 ? 232 LYS A CD 1 ATOM 1886 C CE . LYS A 1 231 ? -22.936 -5.620 -11.323 1.00 18.87 ? 232 LYS A CE 1 ATOM 1887 N NZ . LYS A 1 231 ? -23.565 -4.362 -11.874 1.00 19.60 ? 232 LYS A NZ 1 ATOM 1888 N N . LEU A 1 232 ? -24.916 -8.840 -5.274 1.00 16.61 ? 233 LEU A N 1 ATOM 1889 C CA . LEU A 1 232 ? -25.372 -8.698 -3.881 1.00 15.94 ? 233 LEU A CA 1 ATOM 1890 C C . LEU A 1 232 ? -24.403 -9.295 -2.894 1.00 15.96 ? 233 LEU A C 1 ATOM 1891 O O . LEU A 1 232 ? -23.940 -10.418 -3.067 1.00 16.46 ? 233 LEU A O 1 ATOM 1892 C CB . LEU A 1 232 ? -26.714 -9.411 -3.692 1.00 16.34 ? 233 LEU A CB 1 ATOM 1893 C CG . LEU A 1 232 ? -27.921 -8.791 -4.351 1.00 19.72 ? 233 LEU A CG 1 ATOM 1894 C CD1 . LEU A 1 232 ? -29.105 -9.720 -4.045 1.00 19.48 ? 233 LEU A CD1 1 ATOM 1895 C CD2 . LEU A 1 232 ? -28.211 -7.398 -3.777 1.00 21.12 ? 233 LEU A CD2 1 ATOM 1896 N N . VAL A 1 233 ? -24.117 -8.543 -1.833 1.00 15.20 ? 234 VAL A N 1 ATOM 1897 C CA . VAL A 1 233 ? -23.223 -9.000 -0.793 1.00 14.61 ? 234 VAL A CA 1 ATOM 1898 C C . VAL A 1 233 ? -23.992 -8.970 0.520 1.00 14.25 ? 234 VAL A C 1 ATOM 1899 O O . VAL A 1 233 ? -24.643 -7.968 0.835 1.00 14.19 ? 234 VAL A O 1 ATOM 1900 C CB . VAL A 1 233 ? -22.034 -8.040 -0.746 1.00 16.19 ? 234 VAL A CB 1 ATOM 1901 C CG1 . VAL A 1 233 ? -21.216 -8.314 0.434 1.00 18.01 ? 234 VAL A CG1 1 ATOM 1902 C CG2 . VAL A 1 233 ? -21.205 -8.230 -2.032 1.00 16.68 ? 234 VAL A CG2 1 ATOM 1903 N N . MET A 1 234 ? -23.971 -10.058 1.285 1.00 12.38 ? 235 MET A N 1 ATOM 1904 C CA . MET A 1 234 ? -24.830 -10.102 2.483 1.00 12.37 ? 235 MET A CA 1 ATOM 1905 C C . MET A 1 234 ? -24.059 -9.635 3.702 1.00 12.52 ? 235 MET A C 1 ATOM 1906 O O . MET A 1 234 ? -22.989 -10.185 4.005 1.00 12.68 ? 235 MET A O 1 ATOM 1907 C CB . MET A 1 234 ? -25.361 -11.512 2.742 1.00 12.24 ? 235 MET A CB 1 ATOM 1908 C CG . MET A 1 234 ? -26.502 -11.482 3.757 1.00 13.58 ? 235 MET A CG 1 ATOM 1909 S SD . MET A 1 234 ? -27.296 -13.112 3.947 1.00 16.46 ? 235 MET A SD 1 ATOM 1910 C CE . MET A 1 234 ? -26.137 -13.857 5.009 1.00 17.59 ? 235 MET A CE 1 ATOM 1911 N N . GLY A 1 235 ? -24.605 -8.632 4.402 1.00 11.83 ? 236 GLY A N 1 ATOM 1912 C CA . GLY A 1 235 ? -23.930 -8.114 5.604 1.00 13.21 ? 236 GLY A CA 1 ATOM 1913 C C . GLY A 1 235 ? -24.033 -9.023 6.828 1.00 12.70 ? 236 GLY A C 1 ATOM 1914 O O . GLY A 1 235 ? -25.100 -9.589 7.159 1.00 13.41 ? 236 GLY A O 1 ATOM 1915 N N . ILE A 1 236 ? -22.929 -9.120 7.546 1.00 12.16 ? 237 ILE A N 1 ATOM 1916 C CA . ILE A 1 236 ? -22.833 -9.950 8.749 1.00 12.09 ? 237 ILE A CA 1 ATOM 1917 C C . ILE A 1 236 ? -22.165 -9.048 9.780 1.00 12.42 ? 237 ILE A C 1 ATOM 1918 O O . ILE A 1 236 ? -21.118 -8.466 9.497 1.00 12.27 ? 237 ILE A O 1 ATOM 1919 C CB . ILE A 1 236 ? -21.932 -11.147 8.458 1.00 11.88 ? 237 ILE A CB 1 ATOM 1920 C CG1 . ILE A 1 236 ? -22.567 -12.026 7.390 1.00 12.18 ? 237 ILE A CG1 1 ATOM 1921 C CG2 . ILE A 1 236 ? -21.693 -11.983 9.729 1.00 12.88 ? 237 ILE A CG2 1 ATOM 1922 C CD1 . ILE A 1 236 ? -21.642 -13.178 6.922 1.00 14.41 ? 237 ILE A CD1 1 ATOM 1923 N N . PRO A 1 237 ? -22.762 -8.897 10.970 1.00 12.26 ? 238 PRO A N 1 ATOM 1924 C CA . PRO A 1 237 ? -22.164 -8.040 12.000 1.00 13.02 ? 238 PRO A CA 1 ATOM 1925 C C . PRO A 1 237 ? -21.172 -8.747 12.887 1.00 14.15 ? 238 PRO A C 1 ATOM 1926 O O . PRO A 1 237 ? -21.357 -9.936 13.164 1.00 15.68 ? 238 PRO A O 1 ATOM 1927 C CB . PRO A 1 237 ? -23.371 -7.641 12.866 1.00 13.62 ? 238 PRO A CB 1 ATOM 1928 C CG . PRO A 1 237 ? -24.282 -8.861 12.788 1.00 13.04 ? 238 PRO A CG 1 ATOM 1929 C CD . PRO A 1 237 ? -24.046 -9.497 11.394 1.00 12.50 ? 238 PRO A CD 1 ATOM 1930 N N . THR A 1 238 ? -20.153 -8.015 13.315 1.00 13.72 ? 239 THR A N 1 ATOM 1931 C CA . THR A 1 238 ? -19.274 -8.513 14.369 1.00 14.96 ? 239 THR A CA 1 ATOM 1932 C C . THR A 1 238 ? -19.517 -7.766 15.669 1.00 16.70 ? 239 THR A C 1 ATOM 1933 O O . THR A 1 238 ? -18.629 -7.711 16.512 1.00 22.14 ? 239 THR A O 1 ATOM 1934 C CB . THR A 1 238 ? -17.823 -8.356 14.006 1.00 15.92 ? 239 THR A CB 1 ATOM 1935 O OG1 . THR A 1 238 ? -17.560 -6.952 13.763 1.00 16.33 ? 239 THR A OG1 1 ATOM 1936 C CG2 . THR A 1 238 ? -17.503 -9.116 12.726 1.00 15.97 ? 239 THR A CG2 1 ATOM 1937 N N . PHE A 1 239 ? -20.629 -7.079 15.785 1.00 16.44 ? 240 PHE A N 1 ATOM 1938 C CA . PHE A 1 239 ? -21.027 -6.489 17.055 1.00 15.37 ? 240 PHE A CA 1 ATOM 1939 C C . PHE A 1 239 ? -22.326 -7.192 17.419 1.00 15.29 ? 240 PHE A C 1 ATOM 1940 O O . PHE A 1 239 ? -22.907 -7.895 16.572 1.00 15.76 ? 240 PHE A O 1 ATOM 1941 C CB . PHE A 1 239 ? -21.299 -5.008 16.908 1.00 16.22 ? 240 PHE A CB 1 ATOM 1942 C CG . PHE A 1 239 ? -22.408 -4.700 15.939 1.00 15.72 ? 240 PHE A CG 1 ATOM 1943 C CD1 . PHE A 1 239 ? -22.147 -4.526 14.575 1.00 15.79 ? 240 PHE A CD1 1 ATOM 1944 C CD2 . PHE A 1 239 ? -23.703 -4.622 16.380 1.00 16.86 ? 240 PHE A CD2 1 ATOM 1945 C CE1 . PHE A 1 239 ? -23.186 -4.262 13.691 1.00 16.16 ? 240 PHE A CE1 1 ATOM 1946 C CE2 . PHE A 1 239 ? -24.742 -4.353 15.508 1.00 16.69 ? 240 PHE A CE2 1 ATOM 1947 C CZ . PHE A 1 239 ? -24.475 -4.169 14.146 1.00 16.90 ? 240 PHE A CZ 1 ATOM 1948 N N . GLY A 1 240 ? -22.750 -7.040 18.670 1.00 13.96 ? 241 GLY A N 1 ATOM 1949 C CA . GLY A 1 240 ? -24.062 -7.492 19.111 1.00 14.03 ? 241 GLY A CA 1 ATOM 1950 C C . GLY A 1 240 ? -24.856 -6.319 19.655 1.00 14.58 ? 241 GLY A C 1 ATOM 1951 O O . GLY A 1 240 ? -24.352 -5.182 19.778 1.00 15.10 ? 241 GLY A O 1 ATOM 1952 N N . ARG A 1 241 ? -26.113 -6.582 20.002 1.00 14.72 ? 242 ARG A N 1 ATOM 1953 C CA . ARG A 1 241 ? -26.977 -5.546 20.562 1.00 15.75 ? 242 ARG A CA 1 ATOM 1954 C C . ARG A 1 241 ? -27.454 -6.010 21.942 1.00 16.06 ? 242 ARG A C 1 ATOM 1955 O O . ARG A 1 241 ? -27.704 -7.191 22.155 1.00 16.83 ? 242 ARG A O 1 ATOM 1956 C CB . ARG A 1 241 ? -28.143 -5.254 19.632 1.00 16.50 ? 242 ARG A CB 1 ATOM 1957 C CG . ARG A 1 241 ? -27.683 -4.669 18.292 1.00 19.87 ? 242 ARG A CG 1 ATOM 1958 C CD . ARG A 1 241 ? -28.712 -3.802 17.564 1.00 31.00 ? 242 ARG A CD 1 ATOM 1959 N NE . ARG A 1 241 ? -28.080 -3.120 16.428 1.00 36.09 ? 242 ARG A NE 1 ATOM 1960 C CZ . ARG A 1 241 ? -28.517 -3.187 15.177 1.00 34.74 ? 242 ARG A CZ 1 ATOM 1961 N NH1 . ARG A 1 241 ? -29.608 -3.873 14.906 1.00 41.16 ? 242 ARG A NH1 1 ATOM 1962 N NH2 . ARG A 1 241 ? -27.881 -2.568 14.202 1.00 33.89 ? 242 ARG A NH2 1 ATOM 1963 N N . SER A 1 242 ? -27.577 -5.055 22.856 1.00 15.72 ? 243 SER A N 1 ATOM 1964 C CA . SER A 1 242 ? -27.840 -5.367 24.253 1.00 15.44 ? 243 SER A CA 1 ATOM 1965 C C . SER A 1 242 ? -29.076 -4.653 24.764 1.00 16.08 ? 243 SER A C 1 ATOM 1966 O O . SER A 1 242 ? -29.455 -3.595 24.266 1.00 16.08 ? 243 SER A O 1 ATOM 1967 C CB . SER A 1 242 ? -26.653 -4.898 25.093 1.00 15.23 ? 243 SER A CB 1 ATOM 1968 O OG . SER A 1 242 ? -26.515 -3.471 24.991 1.00 15.48 ? 243 SER A OG 1 ATOM 1969 N N . PHE A 1 243 ? -29.691 -5.244 25.778 1.00 16.40 ? 244 PHE A N 1 ATOM 1970 C CA . PHE A 1 243 ? -30.860 -4.671 26.425 1.00 16.81 ? 244 PHE A CA 1 ATOM 1971 C C . PHE A 1 243 ? -30.691 -4.851 27.912 1.00 17.37 ? 244 PHE A C 1 ATOM 1972 O O . PHE A 1 243 ? -30.027 -5.782 28.352 1.00 18.64 ? 244 PHE A O 1 ATOM 1973 C CB . PHE A 1 243 ? -32.124 -5.443 26.058 1.00 17.04 ? 244 PHE A CB 1 ATOM 1974 C CG . PHE A 1 243 ? -32.402 -5.494 24.587 1.00 17.83 ? 244 PHE A CG 1 ATOM 1975 C CD1 . PHE A 1 243 ? -31.903 -6.539 23.833 1.00 22.13 ? 244 PHE A CD1 1 ATOM 1976 C CD2 . PHE A 1 243 ? -33.147 -4.487 23.951 1.00 23.56 ? 244 PHE A CD2 1 ATOM 1977 C CE1 . PHE A 1 243 ? -32.136 -6.616 22.480 1.00 24.48 ? 244 PHE A CE1 1 ATOM 1978 C CE2 . PHE A 1 243 ? -33.400 -4.570 22.577 1.00 23.57 ? 244 PHE A CE2 1 ATOM 1979 C CZ . PHE A 1 243 ? -32.889 -5.631 21.861 1.00 23.82 ? 244 PHE A CZ 1 ATOM 1980 N N . THR A 1 244 ? -31.334 -3.949 28.654 1.00 18.26 ? 245 THR A N 1 ATOM 1981 C CA . THR A 1 244 ? -31.519 -4.118 30.105 1.00 18.99 ? 245 THR A CA 1 ATOM 1982 C C . THR A 1 244 ? -32.914 -4.738 30.286 1.00 19.17 ? 245 THR A C 1 ATOM 1983 O O . THR A 1 244 ? -33.921 -4.160 29.858 1.00 19.48 ? 245 THR A O 1 ATOM 1984 C CB . THR A 1 244 ? -31.455 -2.772 30.800 1.00 19.76 ? 245 THR A CB 1 ATOM 1985 O OG1 . THR A 1 244 ? -30.137 -2.243 30.676 1.00 18.26 ? 245 THR A OG1 1 ATOM 1986 C CG2 . THR A 1 244 ? -31.653 -2.935 32.334 1.00 19.96 ? 245 THR A CG2 1 ATOM 1987 N N . LEU A 1 245 ? -32.942 -5.879 30.961 1.00 20.19 ? 246 LEU A N 1 ATOM 1988 C CA . LEU A 1 245 ? -34.169 -6.637 31.200 1.00 21.63 ? 246 LEU A CA 1 ATOM 1989 C C . LEU A 1 245 ? -35.009 -5.937 32.267 1.00 23.37 ? 246 LEU A C 1 ATOM 1990 O O . LEU A 1 245 ? -34.465 -5.374 33.219 1.00 23.24 ? 246 LEU A O 1 ATOM 1991 C CB . LEU A 1 245 ? -33.818 -8.045 31.644 1.00 21.83 ? 246 LEU A CB 1 ATOM 1992 C CG . LEU A 1 245 ? -33.102 -8.957 30.639 1.00 20.57 ? 246 LEU A CG 1 ATOM 1993 C CD1 . LEU A 1 245 ? -32.570 -10.185 31.318 1.00 21.50 ? 246 LEU A CD1 1 ATOM 1994 C CD2 . LEU A 1 245 ? -34.032 -9.344 29.495 1.00 22.52 ? 246 LEU A CD2 1 ATOM 1995 N N . ALA A 1 246 ? -36.325 -5.952 32.073 1.00 23.83 ? 247 ALA A N 1 ATOM 1996 C CA . ALA A 1 246 ? -37.240 -5.338 33.027 1.00 26.09 ? 247 ALA A CA 1 ATOM 1997 C C . ALA A 1 246 ? -37.790 -6.356 34.026 1.00 27.22 ? 247 ALA A C 1 ATOM 1998 O O . ALA A 1 246 ? -38.526 -5.980 34.943 1.00 28.50 ? 247 ALA A O 1 ATOM 1999 C CB . ALA A 1 246 ? -38.388 -4.647 32.292 1.00 25.77 ? 247 ALA A CB 1 ATOM 2000 N N . SER A 1 247 ? -37.452 -7.629 33.849 1.00 28.04 ? 248 SER A N 1 ATOM 2001 C CA . SER A 1 247 ? -37.925 -8.714 34.721 1.00 30.26 ? 248 SER A CA 1 ATOM 2002 C C . SER A 1 247 ? -36.977 -9.915 34.639 1.00 31.33 ? 248 SER A C 1 ATOM 2003 O O . SER A 1 247 ? -36.014 -9.881 33.872 1.00 31.60 ? 248 SER A O 1 ATOM 2004 C CB . SER A 1 247 ? -39.321 -9.180 34.317 1.00 29.90 ? 248 SER A CB 1 ATOM 2005 O OG . SER A 1 247 ? -39.257 -10.073 33.218 1.00 30.07 ? 248 SER A OG 1 ATOM 2006 N N . SER A 1 248 ? -37.257 -10.976 35.417 1.00 32.72 ? 249 SER A N 1 ATOM 2007 C CA . SER A 1 248 ? -36.361 -12.137 35.416 1.00 33.49 ? 249 SER A CA 1 ATOM 2008 C C . SER A 1 248 ? -36.431 -12.968 34.136 1.00 33.80 ? 249 SER A C 1 ATOM 2009 O O . SER A 1 248 ? -35.571 -13.817 33.890 1.00 34.07 ? 249 SER A O 1 ATOM 2010 C CB . SER A 1 248 ? -36.667 -13.041 36.616 1.00 34.02 ? 249 SER A CB 1 ATOM 2011 O OG . SER A 1 248 ? -38.010 -13.491 36.597 1.00 36.17 ? 249 SER A OG 1 ATOM 2012 N N . LYS A 1 249 ? -37.468 -12.737 33.339 1.00 33.79 ? 250 LYS A N 1 ATOM 2013 C CA . LYS A 1 249 ? -37.685 -13.449 32.081 1.00 33.67 ? 250 LYS A CA 1 ATOM 2014 C C . LYS A 1 249 ? -36.592 -13.107 31.055 1.00 33.39 ? 250 LYS A C 1 ATOM 2015 O O . LYS A 1 249 ? -36.228 -11.939 30.917 1.00 32.90 ? 250 LYS A O 1 ATOM 2016 C CB . LYS A 1 249 ? -39.051 -13.056 31.515 1.00 34.23 ? 250 LYS A CB 1 ATOM 2017 C CG . LYS A 1 249 ? -39.510 -13.869 30.313 1.00 35.13 ? 250 LYS A CG 1 ATOM 2018 C CD . LYS A 1 249 ? -40.908 -13.416 29.861 1.00 36.97 ? 250 LYS A CD 1 ATOM 2019 C CE . LYS A 1 249 ? -41.263 -13.902 28.457 1.00 37.26 ? 250 LYS A CE 1 ATOM 2020 N NZ . LYS A 1 249 ? -41.374 -15.390 28.388 1.00 38.11 ? 250 LYS A NZ 1 ATOM 2021 N N . THR A 1 250 ? -36.092 -14.123 30.346 1.00 33.45 ? 251 THR A N 1 ATOM 2022 C CA . THR A 1 250 ? -35.026 -13.923 29.347 1.00 34.08 ? 251 THR A CA 1 ATOM 2023 C C . THR A 1 250 ? -35.271 -14.534 27.943 1.00 34.79 ? 251 THR A C 1 ATOM 2024 O O . THR A 1 250 ? -34.579 -14.174 27.007 1.00 34.64 ? 251 THR A O 1 ATOM 2025 C CB . THR A 1 250 ? -33.682 -14.467 29.859 1.00 33.78 ? 251 THR A CB 1 ATOM 2026 O OG1 . THR A 1 250 ? -33.751 -15.909 29.954 1.00 34.47 ? 251 THR A OG1 1 ATOM 2027 C CG2 . THR A 1 250 ? -33.376 -13.863 31.225 1.00 33.11 ? 251 THR A CG2 1 ATOM 2028 N N . ASP A 1 251 ? -36.241 -15.463 27.824 1.00 35.72 ? 252 ASP A N 1 ATOM 2029 C CA . ASP A 1 251 ? -36.620 -16.076 26.521 1.00 36.32 ? 252 ASP A CA 1 ATOM 2030 C C . ASP A 1 251 ? -37.555 -15.197 25.679 1.00 36.24 ? 252 ASP A C 1 ATOM 2031 O O . ASP A 1 251 ? -37.994 -14.141 26.137 1.00 35.78 ? 252 ASP A O 1 ATOM 2032 C CB . ASP A 1 251 ? -37.263 -17.442 26.750 1.00 37.08 ? 252 ASP A CB 1 ATOM 2033 C CG . ASP A 1 251 ? -38.584 -17.256 27.478 1.00 38.02 ? 252 ASP A CG 1 ATOM 2034 O OD1 . ASP A 1 251 ? -38.687 -16.288 28.253 1.00 38.52 ? 252 ASP A OD1 1 ATOM 2035 O OD2 . ASP A 1 251 ? -39.502 -18.083 27.275 1.00 41.54 ? 252 ASP A OD2 1 ATOM 2036 N N . VAL A 1 252 ? -37.882 -15.617 24.434 1.00 36.76 ? 253 VAL A N 1 ATOM 2037 C CA . VAL A 1 252 ? -38.728 -14.853 23.487 1.00 36.95 ? 253 VAL A CA 1 ATOM 2038 C C . VAL A 1 252 ? -39.841 -14.016 24.164 1.00 36.09 ? 253 VAL A C 1 ATOM 2039 O O . VAL A 1 252 ? -40.659 -14.515 24.923 1.00 36.79 ? 253 VAL A O 1 ATOM 2040 C CB . VAL A 1 252 ? -39.336 -15.801 22.413 1.00 37.32 ? 253 VAL A CB 1 ATOM 2041 C CG1 . VAL A 1 252 ? -40.182 -16.889 23.049 1.00 37.94 ? 253 VAL A CG1 1 ATOM 2042 C CG2 . VAL A 1 252 ? -40.168 -14.984 21.428 1.00 38.10 ? 253 VAL A CG2 1 ATOM 2043 N N . GLY A 1 253 ? -39.831 -12.730 23.847 1.00 35.02 ? 254 GLY A N 1 ATOM 2044 C CA . GLY A 1 253 ? -40.813 -11.752 24.312 1.00 33.20 ? 254 GLY A CA 1 ATOM 2045 C C . GLY A 1 253 ? -40.491 -11.087 25.659 1.00 31.87 ? 254 GLY A C 1 ATOM 2046 O O . GLY A 1 253 ? -41.279 -10.294 26.162 1.00 32.34 ? 254 GLY A O 1 ATOM 2047 N N . ALA A 1 254 ? -39.344 -11.418 26.254 1.00 29.96 ? 255 ALA A N 1 ATOM 2048 C CA . ALA A 1 254 ? -38.970 -10.845 27.552 1.00 27.96 ? 255 ALA A CA 1 ATOM 2049 C C . ALA A 1 254 ? -38.964 -9.320 27.514 1.00 26.55 ? 255 ALA A C 1 ATOM 2050 O O . ALA A 1 254 ? -38.342 -8.708 26.643 1.00 26.05 ? 255 ALA A O 1 ATOM 2051 C CB . ALA A 1 254 ? -37.633 -11.379 28.001 1.00 28.18 ? 255 ALA A CB 1 ATOM 2052 N N . PRO A 1 255 ? -39.646 -8.683 28.456 1.00 25.30 ? 256 PRO A N 1 ATOM 2053 C CA . PRO A 1 255 ? -39.725 -7.226 28.463 1.00 24.42 ? 256 PRO A CA 1 ATOM 2054 C C . PRO A 1 255 ? -38.391 -6.604 28.826 1.00 23.91 ? 256 PRO A C 1 ATOM 2055 O O . PRO A 1 255 ? -37.619 -7.199 29.586 1.00 23.94 ? 256 PRO A O 1 ATOM 2056 C CB . PRO A 1 255 ? -40.758 -6.931 29.569 1.00 25.02 ? 256 PRO A CB 1 ATOM 2057 C CG . PRO A 1 255 ? -40.693 -8.108 30.440 1.00 24.80 ? 256 PRO A CG 1 ATOM 2058 C CD . PRO A 1 255 ? -40.379 -9.301 29.584 1.00 25.48 ? 256 PRO A CD 1 ATOM 2059 N N . VAL A 1 256 ? -38.141 -5.422 28.282 1.00 24.11 ? 257 VAL A N 1 ATOM 2060 C CA . VAL A 1 256 ? -36.921 -4.681 28.548 1.00 23.95 ? 257 VAL A CA 1 ATOM 2061 C C . VAL A 1 256 ? -37.244 -3.268 28.979 1.00 24.48 ? 257 VAL A C 1 ATOM 2062 O O . VAL A 1 256 ? -38.311 -2.734 28.644 1.00 25.22 ? 257 VAL A O 1 ATOM 2063 C CB . VAL A 1 256 ? -35.986 -4.670 27.292 1.00 23.63 ? 257 VAL A CB 1 ATOM 2064 C CG1 . VAL A 1 256 ? -35.681 -6.083 26.885 1.00 23.73 ? 257 VAL A CG1 1 ATOM 2065 C CG2 . VAL A 1 256 ? -36.623 -3.954 26.140 1.00 25.36 ? 257 VAL A CG2 1 ATOM 2066 N N . SER A 1 257 ? -36.326 -2.654 29.708 1.00 24.34 ? 258 SER A N 1 ATOM 2067 C CA . SER A 1 257 ? -36.494 -1.279 30.149 1.00 25.03 ? 258 SER A CA 1 ATOM 2068 C C . SER A 1 257 ? -35.717 -0.287 29.282 1.00 24.87 ? 258 SER A C 1 ATOM 2069 O O . SER A 1 257 ? -35.909 0.923 29.381 1.00 25.39 ? 258 SER A O 1 ATOM 2070 C CB . SER A 1 257 ? -36.108 -1.136 31.627 1.00 25.35 ? 258 SER A CB 1 ATOM 2071 O OG . SER A 1 257 ? -34.743 -1.459 31.841 1.00 24.83 ? 258 SER A OG 1 ATOM 2072 N N . GLY A 1 258 ? -34.840 -0.807 28.421 1.00 24.05 ? 259 GLY A N 1 ATOM 2073 C CA . GLY A 1 258 ? -34.058 0.039 27.556 1.00 22.63 ? 259 GLY A CA 1 ATOM 2074 C C . GLY A 1 258 ? -32.852 -0.740 27.055 1.00 21.34 ? 259 GLY A C 1 ATOM 2075 O O . GLY A 1 258 ? -32.761 -1.938 27.261 1.00 20.06 ? 259 GLY A O 1 ATOM 2076 N N . PRO A 1 259 ? -31.920 -0.047 26.425 1.00 21.17 ? 260 PRO A N 1 ATOM 2077 C CA . PRO A 1 259 ? -30.718 -0.712 25.928 1.00 20.33 ? 260 PRO A CA 1 ATOM 2078 C C . PRO A 1 259 ? -29.848 -1.176 27.078 1.00 20.05 ? 260 PRO A C 1 ATOM 2079 O O . PRO A 1 259 ? -30.003 -0.755 28.242 1.00 20.24 ? 260 PRO A O 1 ATOM 2080 C CB . PRO A 1 259 ? -30.004 0.371 25.136 1.00 21.00 ? 260 PRO A CB 1 ATOM 2081 C CG . PRO A 1 259 ? -30.531 1.691 25.696 1.00 22.09 ? 260 PRO A CG 1 ATOM 2082 C CD . PRO A 1 259 ? -31.927 1.396 26.160 1.00 21.05 ? 260 PRO A CD 1 ATOM 2083 N N . GLY A 1 260 ? -28.919 -2.052 26.744 1.00 18.51 ? 261 GLY A N 1 ATOM 2084 C CA . GLY A 1 260 ? -27.988 -2.577 27.717 1.00 18.56 ? 261 GLY A CA 1 ATOM 2085 C C . GLY A 1 260 ? -26.951 -1.543 28.113 1.00 17.95 ? 261 GLY A C 1 ATOM 2086 O O . GLY A 1 260 ? -26.769 -0.510 27.446 1.00 18.04 ? 261 GLY A O 1 ATOM 2087 N N . ILE A 1 261 ? -26.267 -1.782 29.229 1.00 17.94 ? 262 ILE A N 1 ATOM 2088 C CA . ILE A 1 261 ? -25.231 -0.851 29.661 1.00 18.24 ? 262 ILE A CA 1 ATOM 2089 C C . ILE A 1 261 ? -24.078 -0.832 28.669 1.00 17.92 ? 262 ILE A C 1 ATOM 2090 O O . ILE A 1 261 ? -23.824 -1.816 27.998 1.00 18.43 ? 262 ILE A O 1 ATOM 2091 C CB . ILE A 1 261 ? -24.719 -1.210 31.056 1.00 18.73 ? 262 ILE A CB 1 ATOM 2092 C CG1 . ILE A 1 261 ? -24.062 -2.593 31.096 1.00 19.51 ? 262 ILE A CG1 1 ATOM 2093 C CG2 . ILE A 1 261 ? -25.896 -1.097 32.032 1.00 19.78 ? 262 ILE A CG2 1 ATOM 2094 C CD1 . ILE A 1 261 ? -23.225 -2.860 32.412 1.00 19.42 ? 262 ILE A CD1 1 ATOM 2095 N N . PRO A 1 262 ? -23.389 0.288 28.546 1.00 18.55 ? 263 PRO A N 1 ATOM 2096 C CA . PRO A 1 262 ? -22.307 0.326 27.561 1.00 18.51 ? 263 PRO A CA 1 ATOM 2097 C C . PRO A 1 262 ? -21.180 -0.648 27.851 1.00 18.44 ? 263 PRO A C 1 ATOM 2098 O O . PRO A 1 262 ? -20.914 -1.011 29.007 1.00 19.07 ? 263 PRO A O 1 ATOM 2099 C CB . PRO A 1 262 ? -21.782 1.760 27.652 1.00 19.18 ? 263 PRO A CB 1 ATOM 2100 C CG . PRO A 1 262 ? -22.908 2.541 28.269 1.00 20.54 ? 263 PRO A CG 1 ATOM 2101 C CD . PRO A 1 262 ? -23.554 1.576 29.251 1.00 18.64 ? 263 PRO A CD 1 ATOM 2102 N N . GLY A 1 263 ? -20.519 -1.080 26.779 1.00 17.29 ? 264 GLY A N 1 ATOM 2103 C CA . GLY A 1 263 ? -19.303 -1.844 26.879 1.00 17.41 ? 264 GLY A CA 1 ATOM 2104 C C . GLY A 1 263 ? -18.157 -0.965 27.367 1.00 17.36 ? 264 GLY A C 1 ATOM 2105 O O . GLY A 1 263 ? -18.129 0.259 27.128 1.00 17.77 ? 264 GLY A O 1 ATOM 2106 N N . ARG A 1 264 ? -17.220 -1.592 28.073 1.00 17.87 ? 265 ARG A N 1 ATOM 2107 C CA . ARG A 1 264 ? -16.043 -0.892 28.608 1.00 18.93 ? 265 ARG A CA 1 ATOM 2108 C C . ARG A 1 264 ? -15.238 -0.163 27.536 1.00 18.70 ? 265 ARG A C 1 ATOM 2109 O O . ARG A 1 264 ? -14.640 0.906 27.785 1.00 20.13 ? 265 ARG A O 1 ATOM 2110 C CB . ARG A 1 264 ? -15.116 -1.891 29.319 1.00 20.55 ? 265 ARG A CB 1 ATOM 2111 C CG . ARG A 1 264 ? -13.669 -1.390 29.541 1.00 25.75 ? 265 ARG A CG 1 ATOM 2112 C CD . ARG A 1 264 ? -12.996 -1.836 30.838 1.00 35.09 ? 265 ARG A CD 1 ATOM 2113 N NE . ARG A 1 264 ? -12.372 -3.149 30.731 1.00 39.24 ? 265 ARG A NE 1 ATOM 2114 C CZ . ARG A 1 264 ? -11.065 -3.387 30.877 1.00 39.22 ? 265 ARG A CZ 1 ATOM 2115 N NH1 . ARG A 1 264 ? -10.616 -4.624 30.771 1.00 39.00 ? 265 ARG A NH1 1 ATOM 2116 N NH2 . ARG A 1 264 ? -10.208 -2.401 31.127 1.00 41.86 ? 265 ARG A NH2 1 ATOM 2117 N N . PHE A 1 265 ? -15.174 -0.768 26.352 1.00 17.92 ? 266 PHE A N 1 ATOM 2118 C CA . PHE A 1 265 ? -14.377 -0.193 25.272 1.00 16.74 ? 266 PHE A CA 1 ATOM 2119 C C . PHE A 1 265 ? -15.172 0.621 24.257 1.00 17.02 ? 266 PHE A C 1 ATOM 2120 O O . PHE A 1 265 ? -14.740 1.702 23.834 1.00 17.57 ? 266 PHE A O 1 ATOM 2121 C CB . PHE A 1 265 ? -13.585 -1.285 24.555 1.00 16.80 ? 266 PHE A CB 1 ATOM 2122 C CG . PHE A 1 265 ? -12.600 -1.995 25.439 1.00 16.88 ? 266 PHE A CG 1 ATOM 2123 C CD1 . PHE A 1 265 ? -12.909 -3.217 26.002 1.00 15.94 ? 266 PHE A CD1 1 ATOM 2124 C CD2 . PHE A 1 265 ? -11.385 -1.378 25.756 1.00 16.76 ? 266 PHE A CD2 1 ATOM 2125 C CE1 . PHE A 1 265 ? -11.994 -3.871 26.845 1.00 19.72 ? 266 PHE A CE1 1 ATOM 2126 C CE2 . PHE A 1 265 ? -10.465 -2.029 26.571 1.00 20.76 ? 266 PHE A CE2 1 ATOM 2127 C CZ . PHE A 1 265 ? -10.776 -3.269 27.121 1.00 19.06 ? 266 PHE A CZ 1 ATOM 2128 N N . THR A 1 266 ? -16.336 0.123 23.858 1.00 16.10 ? 267 THR A N 1 ATOM 2129 C CA . THR A 1 266 ? -17.092 0.807 22.820 1.00 16.71 ? 267 THR A CA 1 ATOM 2130 C C . THR A 1 266 ? -17.938 1.954 23.373 1.00 17.60 ? 267 THR A C 1 ATOM 2131 O O . THR A 1 266 ? -18.293 2.893 22.644 1.00 18.24 ? 267 THR A O 1 ATOM 2132 C CB . THR A 1 266 ? -17.944 -0.187 22.022 1.00 16.07 ? 267 THR A CB 1 ATOM 2133 O OG1 . THR A 1 266 ? -18.709 -1.009 22.917 1.00 16.12 ? 267 THR A OG1 1 ATOM 2134 C CG2 . THR A 1 266 ? -17.047 -1.170 21.227 1.00 17.41 ? 267 THR A CG2 1 ATOM 2135 N N . LYS A 1 267 ? -18.258 1.877 24.660 1.00 17.77 ? 268 LYS A N 1 ATOM 2136 C CA . LYS A 1 267 ? -18.922 2.983 25.360 1.00 19.54 ? 268 LYS A CA 1 ATOM 2137 C C . LYS A 1 267 ? -20.155 3.545 24.665 1.00 20.47 ? 268 LYS A C 1 ATOM 2138 O O . LYS A 1 267 ? -20.289 4.784 24.511 1.00 21.60 ? 268 LYS A O 1 ATOM 2139 C CB . LYS A 1 267 ? -17.925 4.126 25.638 1.00 20.16 ? 268 LYS A CB 1 ATOM 2140 C CG . LYS A 1 267 ? -16.765 3.674 26.511 1.00 21.74 ? 268 LYS A CG 1 ATOM 2141 C CD . LYS A 1 267 ? -15.852 4.861 26.865 1.00 24.58 ? 268 LYS A CD 1 ATOM 2142 C CE . LYS A 1 267 ? -14.834 4.474 27.944 1.00 26.96 ? 268 LYS A CE 1 ATOM 2143 N NZ . LYS A 1 267 ? -13.751 3.625 27.386 1.00 27.90 ? 268 LYS A NZ 1 ATOM 2144 N N . GLU A 1 268 ? -21.063 2.672 24.265 1.00 20.31 ? 269 GLU A N 1 ATOM 2145 C CA . GLU A 1 268 ? -22.299 3.099 23.616 1.00 20.78 ? 269 GLU A CA 1 ATOM 2146 C C . GLU A 1 268 ? -23.422 2.177 24.066 1.00 21.26 ? 269 GLU A C 1 ATOM 2147 O O . GLU A 1 268 ? -23.392 0.976 23.782 1.00 20.37 ? 269 GLU A O 1 ATOM 2148 C CB . GLU A 1 268 ? -22.141 3.030 22.101 1.00 21.16 ? 269 GLU A CB 1 ATOM 2149 C CG . GLU A 1 268 ? -23.366 3.526 21.326 1.00 26.09 ? 269 GLU A CG 1 ATOM 2150 C CD . GLU A 1 268 ? -23.605 5.026 21.467 1.00 33.99 ? 269 GLU A CD 1 ATOM 2151 O OE1 . GLU A 1 268 ? -22.634 5.789 21.724 1.00 35.88 ? 269 GLU A OE1 1 ATOM 2152 O OE2 . GLU A 1 268 ? -24.773 5.448 21.309 1.00 37.52 ? 269 GLU A OE2 1 ATOM 2153 N N . LYS A 1 269 ? -24.401 2.704 24.786 1.00 20.70 ? 270 LYS A N 1 ATOM 2154 C CA . LYS A 1 269 ? -25.478 1.840 25.242 1.00 21.07 ? 270 LYS A CA 1 ATOM 2155 C C . LYS A 1 269 ? -26.149 1.136 24.065 1.00 20.32 ? 270 LYS A C 1 ATOM 2156 O O . LYS A 1 269 ? -26.355 1.723 22.999 1.00 20.55 ? 270 LYS A O 1 ATOM 2157 C CB . LYS A 1 269 ? -26.496 2.618 26.075 1.00 22.39 ? 270 LYS A CB 1 ATOM 2158 C CG . LYS A 1 269 ? -27.286 3.650 25.317 1.00 25.60 ? 270 LYS A CG 1 ATOM 2159 C CD . LYS A 1 269 ? -28.033 4.567 26.294 1.00 34.33 ? 270 LYS A CD 1 ATOM 2160 C CE . LYS A 1 269 ? -29.000 5.495 25.572 1.00 37.55 ? 270 LYS A CE 1 ATOM 2161 N NZ . LYS A 1 269 ? -30.026 6.051 26.499 1.00 40.93 ? 270 LYS A NZ 1 ATOM 2162 N N . GLY A 1 270 ? -26.488 -0.133 24.269 1.00 18.64 ? 271 GLY A N 1 ATOM 2163 C CA . GLY A 1 270 ? -27.212 -0.892 23.271 1.00 17.91 ? 271 GLY A CA 1 ATOM 2164 C C . GLY A 1 270 ? -26.351 -1.675 22.296 1.00 17.17 ? 271 GLY A C 1 ATOM 2165 O O . GLY A 1 270 ? -26.881 -2.489 21.536 1.00 17.06 ? 271 GLY A O 1 ATOM 2166 N N . ILE A 1 271 ? -25.041 -1.424 22.300 1.00 16.64 ? 272 ILE A N 1 ATOM 2167 C CA . ILE A 1 271 ? -24.137 -2.155 21.409 1.00 16.59 ? 272 ILE A CA 1 ATOM 2168 C C . ILE A 1 271 ? -22.901 -2.664 22.128 1.00 15.96 ? 272 ILE A C 1 ATOM 2169 O O . ILE A 1 271 ? -22.406 -2.022 23.069 1.00 15.91 ? 272 ILE A O 1 ATOM 2170 C CB . ILE A 1 271 ? -23.733 -1.252 20.207 1.00 17.43 ? 272 ILE A CB 1 ATOM 2171 C CG1 . ILE A 1 271 ? -22.947 -2.038 19.149 1.00 20.07 ? 272 ILE A CG1 1 ATOM 2172 C CG2 . ILE A 1 271 ? -22.937 -0.076 20.655 1.00 21.15 ? 272 ILE A CG2 1 ATOM 2173 C CD1 . ILE A 1 271 ? -23.065 -1.378 17.735 1.00 24.43 ? 272 ILE A CD1 1 ATOM 2174 N N . LEU A 1 272 ? -22.409 -3.820 21.692 1.00 15.65 ? 273 LEU A N 1 ATOM 2175 C CA . LEU A 1 272 ? -21.154 -4.361 22.209 1.00 15.48 ? 273 LEU A CA 1 ATOM 2176 C C . LEU A 1 272 ? -20.312 -4.917 21.059 1.00 14.97 ? 273 LEU A C 1 ATOM 2177 O O . LEU A 1 272 ? -20.829 -5.556 20.152 1.00 15.43 ? 273 LEU A O 1 ATOM 2178 C CB . LEU A 1 272 ? -21.398 -5.501 23.208 1.00 15.76 ? 273 LEU A CB 1 ATOM 2179 C CG . LEU A 1 272 ? -22.109 -5.146 24.511 1.00 15.10 ? 273 LEU A CG 1 ATOM 2180 C CD1 . LEU A 1 272 ? -22.419 -6.421 25.280 1.00 15.44 ? 273 LEU A CD1 1 ATOM 2181 C CD2 . LEU A 1 272 ? -21.248 -4.230 25.330 1.00 17.69 ? 273 LEU A CD2 1 ATOM 2182 N N . ALA A 1 273 ? -19.000 -4.715 21.123 1.00 14.30 ? 274 ALA A N 1 ATOM 2183 C CA . ALA A 1 273 ? -18.116 -5.355 20.139 1.00 14.33 ? 274 ALA A CA 1 ATOM 2184 C C . ALA A 1 273 ? -18.064 -6.858 20.418 1.00 15.26 ? 274 ALA A C 1 ATOM 2185 O O . ALA A 1 273 ? -18.289 -7.289 21.542 1.00 15.09 ? 274 ALA A O 1 ATOM 2186 C CB . ALA A 1 273 ? -16.701 -4.819 20.243 1.00 14.00 ? 274 ALA A CB 1 ATOM 2187 N N . TYR A 1 274 ? -17.747 -7.658 19.408 1.00 15.86 ? 275 TYR A N 1 ATOM 2188 C CA . TYR A 1 274 ? -17.604 -9.096 19.653 1.00 15.58 ? 275 TYR A CA 1 ATOM 2189 C C . TYR A 1 274 ? -16.557 -9.402 20.721 1.00 16.29 ? 275 TYR A C 1 ATOM 2190 O O . TYR A 1 274 ? -16.756 -10.299 21.542 1.00 16.32 ? 275 TYR A O 1 ATOM 2191 C CB . TYR A 1 274 ? -17.330 -9.901 18.368 1.00 15.78 ? 275 TYR A CB 1 ATOM 2192 C CG . TYR A 1 274 ? -17.315 -11.392 18.603 1.00 14.79 ? 275 TYR A CG 1 ATOM 2193 C CD1 . TYR A 1 274 ? -18.448 -12.030 19.047 1.00 16.19 ? 275 TYR A CD1 1 ATOM 2194 C CD2 . TYR A 1 274 ? -16.169 -12.144 18.360 1.00 16.84 ? 275 TYR A CD2 1 ATOM 2195 C CE1 . TYR A 1 274 ? -18.463 -13.391 19.265 1.00 17.60 ? 275 TYR A CE1 1 ATOM 2196 C CE2 . TYR A 1 274 ? -16.169 -13.538 18.545 1.00 18.13 ? 275 TYR A CE2 1 ATOM 2197 C CZ . TYR A 1 274 ? -17.339 -14.136 19.001 1.00 18.40 ? 275 TYR A CZ 1 ATOM 2198 O OH . TYR A 1 274 ? -17.406 -15.498 19.218 1.00 20.25 ? 275 TYR A OH 1 ATOM 2199 N N . TYR A 1 275 ? -15.448 -8.648 20.751 1.00 15.95 ? 276 TYR A N 1 ATOM 2200 C CA . TYR A 1 275 ? -14.447 -8.903 21.766 1.00 16.68 ? 276 TYR A CA 1 ATOM 2201 C C . TYR A 1 275 ? -15.021 -8.630 23.155 1.00 16.93 ? 276 TYR A C 1 ATOM 2202 O O . TYR A 1 275 ? -14.686 -9.335 24.108 1.00 18.21 ? 276 TYR A O 1 ATOM 2203 C CB . TYR A 1 275 ? -13.113 -8.190 21.468 1.00 15.18 ? 276 TYR A CB 1 ATOM 2204 C CG . TYR A 1 275 ? -13.151 -6.685 21.434 1.00 16.09 ? 276 TYR A CG 1 ATOM 2205 C CD1 . TYR A 1 275 ? -13.080 -5.928 22.597 1.00 16.50 ? 276 TYR A CD1 1 ATOM 2206 C CD2 . TYR A 1 275 ? -13.249 -6.005 20.205 1.00 13.57 ? 276 TYR A CD2 1 ATOM 2207 C CE1 . TYR A 1 275 ? -13.100 -4.533 22.548 1.00 16.30 ? 276 TYR A CE1 1 ATOM 2208 C CE2 . TYR A 1 275 ? -13.270 -4.621 20.162 1.00 14.21 ? 276 TYR A CE2 1 ATOM 2209 C CZ . TYR A 1 275 ? -13.181 -3.890 21.333 1.00 14.52 ? 276 TYR A CZ 1 ATOM 2210 O OH . TYR A 1 275 ? -13.234 -2.532 21.270 1.00 15.98 ? 276 TYR A OH 1 ATOM 2211 N N . GLU A 1 276 ? -15.923 -7.656 23.272 1.00 16.36 ? 277 GLU A N 1 ATOM 2212 C CA . GLU A 1 276 ? -16.596 -7.406 24.548 1.00 16.21 ? 277 GLU A CA 1 ATOM 2213 C C . GLU A 1 276 ? -17.589 -8.522 24.903 1.00 16.74 ? 277 GLU A C 1 ATOM 2214 O O . GLU A 1 276 ? -17.762 -8.867 26.085 1.00 16.96 ? 277 GLU A O 1 ATOM 2215 C CB . GLU A 1 276 ? -17.320 -6.074 24.514 1.00 16.35 ? 277 GLU A CB 1 ATOM 2216 C CG . GLU A 1 276 ? -16.371 -4.882 24.485 1.00 15.24 ? 277 GLU A CG 1 ATOM 2217 C CD . GLU A 1 276 ? -17.065 -3.551 24.244 1.00 16.89 ? 277 GLU A CD 1 ATOM 2218 O OE1 . GLU A 1 276 ? -17.961 -3.463 23.370 1.00 16.69 ? 277 GLU A OE1 1 ATOM 2219 O OE2 . GLU A 1 276 ? -16.697 -2.539 24.910 1.00 15.72 ? 277 GLU A OE2 1 ATOM 2220 N N . ILE A 1 277 ? -18.259 -9.053 23.879 1.00 15.67 ? 278 ILE A N 1 ATOM 2221 C CA . ILE A 1 277 ? -19.201 -10.146 24.089 1.00 16.11 ? 278 ILE A CA 1 ATOM 2222 C C . ILE A 1 277 ? -18.482 -11.397 24.549 1.00 17.56 ? 278 ILE A C 1 ATOM 2223 O O . ILE A 1 277 ? -18.956 -12.091 25.444 1.00 17.64 ? 278 ILE A O 1 ATOM 2224 C CB . ILE A 1 277 ? -20.025 -10.382 22.820 1.00 15.77 ? 278 ILE A CB 1 ATOM 2225 C CG1 . ILE A 1 277 ? -20.903 -9.154 22.610 1.00 16.22 ? 278 ILE A CG1 1 ATOM 2226 C CG2 . ILE A 1 277 ? -20.903 -11.685 22.938 1.00 16.76 ? 278 ILE A CG2 1 ATOM 2227 C CD1 . ILE A 1 277 ? -21.470 -9.013 21.167 1.00 17.83 ? 278 ILE A CD1 1 ATOM 2228 N N . CYS A 1 278 ? -17.323 -11.672 23.962 1.00 17.84 ? 279 CYS A N 1 ATOM 2229 C CA . CYS A 1 278 ? -16.542 -12.857 24.369 1.00 18.98 ? 279 CYS A CA 1 ATOM 2230 C C . CYS A 1 278 ? -16.284 -12.811 25.866 1.00 19.59 ? 279 CYS A C 1 ATOM 2231 O O . CYS A 1 278 ? -16.391 -13.850 26.559 1.00 21.36 ? 279 CYS A O 1 ATOM 2232 C CB . CYS A 1 278 ? -15.219 -12.916 23.619 1.00 19.75 ? 279 CYS A CB 1 ATOM 2233 S SG . CYS A 1 278 ? -15.438 -13.540 21.986 1.00 20.07 ? 279 CYS A SG 1 ATOM 2234 N N . ASP A 1 279 ? -15.931 -11.642 26.372 1.00 19.47 ? 280 ASP A N 1 ATOM 2235 C CA . ASP A 1 279 ? -15.726 -11.516 27.798 1.00 20.73 ? 280 ASP A CA 1 ATOM 2236 C C . ASP A 1 279 ? -17.035 -11.621 28.555 1.00 20.32 ? 280 ASP A C 1 ATOM 2237 O O . ASP A 1 279 ? -17.094 -12.254 29.608 1.00 21.17 ? 280 ASP A O 1 ATOM 2238 C CB . ASP A 1 279 ? -15.046 -10.210 28.108 1.00 21.37 ? 280 ASP A CB 1 ATOM 2239 C CG . ASP A 1 279 ? -14.281 -10.279 29.392 1.00 25.04 ? 280 ASP A CG 1 ATOM 2240 O OD1 . ASP A 1 279 ? -13.527 -11.259 29.565 1.00 26.98 ? 280 ASP A OD1 1 ATOM 2241 O OD2 . ASP A 1 279 ? -14.396 -9.410 30.267 1.00 28.39 ? 280 ASP A OD2 1 ATOM 2242 N N . PHE A 1 280 ? -18.092 -11.012 28.018 1.00 18.46 ? 281 PHE A N 1 ATOM 2243 C CA . PHE A 1 280 ? -19.420 -11.052 28.652 1.00 18.07 ? 281 PHE A CA 1 ATOM 2244 C C . PHE A 1 280 ? -19.861 -12.505 28.866 1.00 18.60 ? 281 PHE A C 1 ATOM 2245 O O . PHE A 1 280 ? -20.520 -12.829 29.841 1.00 18.16 ? 281 PHE A O 1 ATOM 2246 C CB . PHE A 1 280 ? -20.424 -10.313 27.756 1.00 18.40 ? 281 PHE A CB 1 ATOM 2247 C CG . PHE A 1 280 ? -21.844 -10.310 28.259 1.00 16.08 ? 281 PHE A CG 1 ATOM 2248 C CD1 . PHE A 1 280 ? -22.320 -9.229 28.985 1.00 16.94 ? 281 PHE A CD1 1 ATOM 2249 C CD2 . PHE A 1 280 ? -22.717 -11.356 27.957 1.00 15.93 ? 281 PHE A CD2 1 ATOM 2250 C CE1 . PHE A 1 280 ? -23.613 -9.193 29.460 1.00 16.90 ? 281 PHE A CE1 1 ATOM 2251 C CE2 . PHE A 1 280 ? -24.040 -11.342 28.428 1.00 16.07 ? 281 PHE A CE2 1 ATOM 2252 C CZ . PHE A 1 280 ? -24.499 -10.257 29.169 1.00 16.63 ? 281 PHE A CZ 1 ATOM 2253 N N . LEU A 1 281 ? -19.479 -13.389 27.956 1.00 19.00 ? 282 LEU A N 1 ATOM 2254 C CA . LEU A 1 281 ? -19.948 -14.765 28.018 1.00 19.09 ? 282 LEU A CA 1 ATOM 2255 C C . LEU A 1 281 ? -19.482 -15.504 29.286 1.00 20.46 ? 282 LEU A C 1 ATOM 2256 O O . LEU A 1 281 ? -20.080 -16.523 29.653 1.00 20.88 ? 282 LEU A O 1 ATOM 2257 C CB . LEU A 1 281 ? -19.555 -15.538 26.747 1.00 18.96 ? 282 LEU A CB 1 ATOM 2258 C CG . LEU A 1 281 ? -20.279 -15.129 25.452 1.00 19.75 ? 282 LEU A CG 1 ATOM 2259 C CD1 . LEU A 1 281 ? -19.799 -16.029 24.317 1.00 20.32 ? 282 LEU A CD1 1 ATOM 2260 C CD2 . LEU A 1 281 ? -21.777 -15.306 25.594 1.00 20.82 ? 282 LEU A CD2 1 ATOM 2261 N N . HIS A 1 282 ? -18.440 -15.003 29.946 1.00 21.66 ? 283 HIS A N 1 ATOM 2262 C CA . HIS A 1 282 ? -17.964 -15.642 31.181 1.00 22.99 ? 283 HIS A CA 1 ATOM 2263 C C . HIS A 1 282 ? -19.030 -15.370 32.219 1.00 22.50 ? 283 HIS A C 1 ATOM 2264 O O . HIS A 1 282 ? -19.312 -14.220 32.543 1.00 23.23 ? 283 HIS A O 1 ATOM 2265 C CB . HIS A 1 282 ? -16.632 -15.054 31.636 1.00 23.75 ? 283 HIS A CB 1 ATOM 2266 C CG . HIS A 1 282 ? -15.491 -15.371 30.727 1.00 27.59 ? 283 HIS A CG 1 ATOM 2267 N ND1 . HIS A 1 282 ? -14.926 -16.627 30.659 1.00 31.53 ? 283 HIS A ND1 1 ATOM 2268 C CD2 . HIS A 1 282 ? -14.814 -14.604 29.837 1.00 31.09 ? 283 HIS A CD2 1 ATOM 2269 C CE1 . HIS A 1 282 ? -13.949 -16.619 29.768 1.00 33.30 ? 283 HIS A CE1 1 ATOM 2270 N NE2 . HIS A 1 282 ? -13.861 -15.404 29.253 1.00 32.95 ? 283 HIS A NE2 1 ATOM 2271 N N . GLY A 1 283 ? -19.646 -16.439 32.703 1.00 23.31 ? 284 GLY A N 1 ATOM 2272 C CA . GLY A 1 283 ? -20.695 -16.314 33.693 1.00 23.39 ? 284 GLY A CA 1 ATOM 2273 C C . GLY A 1 283 ? -22.082 -16.127 33.124 1.00 24.00 ? 284 GLY A C 1 ATOM 2274 O O . GLY A 1 283 ? -23.051 -16.019 33.878 1.00 25.12 ? 284 GLY A O 1 ATOM 2275 N N . ALA A 1 284 ? -22.196 -16.082 31.797 1.00 22.50 ? 285 ALA A N 1 ATOM 2276 C CA . ALA A 1 284 ? -23.489 -15.904 31.149 1.00 22.77 ? 285 ALA A CA 1 ATOM 2277 C C . ALA A 1 284 ? -24.143 -17.229 30.768 1.00 23.19 ? 285 ALA A C 1 ATOM 2278 O O . ALA A 1 284 ? -23.478 -18.249 30.655 1.00 24.59 ? 285 ALA A O 1 ATOM 2279 C CB . ALA A 1 284 ? -23.325 -15.042 29.870 1.00 21.65 ? 285 ALA A CB 1 ATOM 2280 N N . THR A 1 285 ? -25.450 -17.209 30.586 1.00 24.81 ? 286 THR A N 1 ATOM 2281 C CA . THR A 1 285 ? -26.115 -18.372 30.017 1.00 26.58 ? 286 THR A CA 1 ATOM 2282 C C . THR A 1 285 ? -26.317 -18.097 28.529 1.00 26.29 ? 286 THR A C 1 ATOM 2283 O O . THR A 1 285 ? -26.691 -16.986 28.139 1.00 26.02 ? 286 THR A O 1 ATOM 2284 C CB . THR A 1 285 ? -27.452 -18.704 30.697 1.00 27.30 ? 286 THR A CB 1 ATOM 2285 O OG1 . THR A 1 285 ? -28.333 -17.599 30.589 1.00 30.20 ? 286 THR A OG1 1 ATOM 2286 C CG2 . THR A 1 285 ? -27.272 -18.831 32.214 1.00 28.58 ? 286 THR A CG2 1 ATOM 2287 N N . THR A 1 286 ? -26.031 -19.110 27.723 1.00 26.35 ? 287 THR A N 1 ATOM 2288 C CA . THR A 1 286 ? -26.129 -19.014 26.271 1.00 27.11 ? 287 THR A CA 1 ATOM 2289 C C . THR A 1 286 ? -27.344 -19.767 25.713 1.00 26.70 ? 287 THR A C 1 ATOM 2290 O O . THR A 1 286 ? -27.708 -20.856 26.184 1.00 26.75 ? 287 THR A O 1 ATOM 2291 C CB . THR A 1 286 ? -24.824 -19.526 25.621 1.00 28.01 ? 287 THR A CB 1 ATOM 2292 O OG1 . THR A 1 286 ? -24.381 -20.735 26.266 1.00 31.02 ? 287 THR A OG1 1 ATOM 2293 C CG2 . THR A 1 286 ? -23.694 -18.506 25.876 1.00 29.46 ? 287 THR A CG2 1 ATOM 2294 N N . HIS A 1 287 ? -27.972 -19.175 24.709 1.00 25.30 ? 288 HIS A N 1 ATOM 2295 C CA . HIS A 1 287 ? -29.134 -19.785 24.090 1.00 25.51 ? 288 HIS A CA 1 ATOM 2296 C C . HIS A 1 287 ? -29.054 -19.551 22.600 1.00 25.29 ? 288 HIS A C 1 ATOM 2297 O O . HIS A 1 287 ? -28.315 -18.685 22.154 1.00 24.46 ? 288 HIS A O 1 ATOM 2298 C CB . HIS A 1 287 ? -30.409 -19.123 24.614 1.00 25.99 ? 288 HIS A CB 1 ATOM 2299 C CG . HIS A 1 287 ? -30.507 -19.093 26.105 1.00 30.76 ? 288 HIS A CG 1 ATOM 2300 N ND1 . HIS A 1 287 ? -30.943 -20.174 26.845 1.00 33.87 ? 288 HIS A ND1 1 ATOM 2301 C CD2 . HIS A 1 287 ? -30.227 -18.113 26.996 1.00 33.67 ? 288 HIS A CD2 1 ATOM 2302 C CE1 . HIS A 1 287 ? -30.919 -19.860 28.129 1.00 35.30 ? 288 HIS A CE1 1 ATOM 2303 N NE2 . HIS A 1 287 ? -30.491 -18.615 28.248 1.00 36.81 ? 288 HIS A NE2 1 ATOM 2304 N N . ARG A 1 288 ? -29.802 -20.331 21.830 1.00 25.23 ? 289 ARG A N 1 ATOM 2305 C CA . ARG A 1 288 ? -29.896 -20.041 20.408 1.00 25.98 ? 289 ARG A CA 1 ATOM 2306 C C . ARG A 1 288 ? -31.348 -20.018 19.964 1.00 26.64 ? 289 ARG A C 1 ATOM 2307 O O . ARG A 1 288 ? -32.163 -20.866 20.387 1.00 27.67 ? 289 ARG A O 1 ATOM 2308 C CB . ARG A 1 288 ? -29.119 -21.047 19.565 1.00 25.66 ? 289 ARG A CB 1 ATOM 2309 C CG . ARG A 1 288 ? -27.670 -21.216 19.938 1.00 27.05 ? 289 ARG A CG 1 ATOM 2310 C CD . ARG A 1 288 ? -26.907 -22.053 18.951 1.00 27.83 ? 289 ARG A CD 1 ATOM 2311 N NE . ARG A 1 288 ? -26.454 -21.281 17.789 1.00 25.62 ? 289 ARG A NE 1 ATOM 2312 C CZ . ARG A 1 288 ? -25.328 -20.573 17.778 1.00 24.80 ? 289 ARG A CZ 1 ATOM 2313 N NH1 . ARG A 1 288 ? -24.563 -20.542 18.862 1.00 23.90 ? 289 ARG A NH1 1 ATOM 2314 N NH2 . ARG A 1 288 ? -24.960 -19.903 16.668 1.00 19.22 ? 289 ARG A NH2 1 ATOM 2315 N N . PHE A 1 289 ? -31.684 -19.046 19.132 1.00 25.36 ? 290 PHE A N 1 ATOM 2316 C CA . PHE A 1 289 ? -32.990 -19.047 18.481 1.00 26.43 ? 290 PHE A CA 1 ATOM 2317 C C . PHE A 1 289 ? -32.937 -20.088 17.361 1.00 27.33 ? 290 PHE A C 1 ATOM 2318 O O . PHE A 1 289 ? -32.347 -19.843 16.312 1.00 27.98 ? 290 PHE A O 1 ATOM 2319 C CB . PHE A 1 289 ? -33.329 -17.685 17.897 1.00 25.52 ? 290 PHE A CB 1 ATOM 2320 C CG . PHE A 1 289 ? -33.654 -16.645 18.923 1.00 25.54 ? 290 PHE A CG 1 ATOM 2321 C CD1 . PHE A 1 289 ? -34.701 -16.834 19.819 1.00 26.08 ? 290 PHE A CD1 1 ATOM 2322 C CD2 . PHE A 1 289 ? -32.911 -15.485 19.012 1.00 25.29 ? 290 PHE A CD2 1 ATOM 2323 C CE1 . PHE A 1 289 ? -34.993 -15.880 20.763 1.00 26.62 ? 290 PHE A CE1 1 ATOM 2324 C CE2 . PHE A 1 289 ? -33.209 -14.520 19.953 1.00 26.41 ? 290 PHE A CE2 1 ATOM 2325 C CZ . PHE A 1 289 ? -34.251 -14.716 20.834 1.00 27.67 ? 290 PHE A CZ 1 ATOM 2326 N N . ARG A 1 290 ? -33.534 -21.258 17.589 1.00 27.75 ? 291 ARG A N 1 ATOM 2327 C CA . ARG A 1 290 ? -33.488 -22.363 16.625 1.00 29.26 ? 291 ARG A CA 1 ATOM 2328 C C . ARG A 1 290 ? -33.808 -21.861 15.220 1.00 28.51 ? 291 ARG A C 1 ATOM 2329 O O . ARG A 1 290 ? -32.949 -21.812 14.360 1.00 31.39 ? 291 ARG A O 1 ATOM 2330 C CB . ARG A 1 290 ? -34.495 -23.449 17.028 1.00 30.22 ? 291 ARG A CB 1 ATOM 2331 C CG . ARG A 1 290 ? -34.368 -24.735 16.256 1.00 35.38 ? 291 ARG A CG 1 ATOM 2332 C CD . ARG A 1 290 ? -35.465 -25.745 16.583 1.00 42.08 ? 291 ARG A CD 1 ATOM 2333 N NE . ARG A 1 290 ? -36.753 -25.089 16.794 1.00 47.27 ? 291 ARG A NE 1 ATOM 2334 C CZ . ARG A 1 290 ? -37.698 -24.965 15.867 1.00 49.61 ? 291 ARG A CZ 1 ATOM 2335 N NH1 . ARG A 1 290 ? -37.511 -25.453 14.643 1.00 51.17 ? 291 ARG A NH1 1 ATOM 2336 N NH2 . ARG A 1 290 ? -38.839 -24.353 16.168 1.00 50.68 ? 291 ARG A NH2 1 ATOM 2337 N N . ASP A 1 291 ? -35.062 -21.497 15.041 1.00 27.22 ? 292 ASP A N 1 ATOM 2338 C CA A ASP A 1 291 ? -35.563 -20.941 13.783 0.50 26.61 ? 292 ASP A CA 1 ATOM 2339 C CA B ASP A 1 291 ? -35.629 -20.935 13.824 0.50 26.75 ? 292 ASP A CA 1 ATOM 2340 C C . ASP A 1 291 ? -34.800 -19.809 13.147 1.00 25.61 ? 292 ASP A C 1 ATOM 2341 O O . ASP A 1 291 ? -34.594 -19.814 11.924 1.00 25.11 ? 292 ASP A O 1 ATOM 2342 C CB A ASP A 1 291 ? -37.046 -20.614 13.896 0.50 27.04 ? 292 ASP A CB 1 ATOM 2343 C CB B ASP A 1 291 ? -36.943 -20.297 14.296 0.50 27.56 ? 292 ASP A CB 1 ATOM 2344 C CG A ASP A 1 291 ? -37.888 -21.863 13.836 0.50 28.40 ? 292 ASP A CG 1 ATOM 2345 C CG B ASP A 1 291 ? -36.797 -19.618 15.694 0.50 29.25 ? 292 ASP A CG 1 ATOM 2346 O OD1 A ASP A 1 291 ? -37.316 -22.944 13.553 0.50 30.66 ? 292 ASP A OD1 1 ATOM 2347 O OD1 B ASP A 1 291 ? -36.018 -18.668 15.871 0.50 30.73 ? 292 ASP A OD1 1 ATOM 2348 O OD2 A ASP A 1 291 ? -39.115 -21.871 14.047 0.50 31.01 ? 292 ASP A OD2 1 ATOM 2349 O OD2 B ASP A 1 291 ? -37.420 -19.991 16.701 0.50 35.53 ? 292 ASP A OD2 1 ATOM 2350 N N . GLN A 1 292 ? -34.388 -18.832 13.948 1.00 23.60 ? 293 GLN A N 1 ATOM 2351 C CA . GLN A 1 292 ? -33.657 -17.673 13.404 1.00 21.54 ? 293 GLN A CA 1 ATOM 2352 C C . GLN A 1 292 ? -32.180 -17.967 13.167 1.00 20.60 ? 293 GLN A C 1 ATOM 2353 O O . GLN A 1 292 ? -31.487 -17.222 12.452 1.00 19.31 ? 293 GLN A O 1 ATOM 2354 C CB . GLN A 1 292 ? -33.797 -16.475 14.332 1.00 22.13 ? 293 GLN A CB 1 ATOM 2355 C CG . GLN A 1 292 ? -35.255 -16.118 14.620 1.00 24.05 ? 293 GLN A CG 1 ATOM 2356 C CD . GLN A 1 292 ? -35.393 -15.162 15.758 1.00 28.63 ? 293 GLN A CD 1 ATOM 2357 O OE1 . GLN A 1 292 ? -34.969 -14.033 15.655 1.00 27.84 ? 293 GLN A OE1 1 ATOM 2358 N NE2 . GLN A 1 292 ? -36.008 -15.613 16.864 1.00 30.86 ? 293 GLN A NE2 1 ATOM 2359 N N . GLN A 1 293 ? -31.706 -19.036 13.793 1.00 18.13 ? 294 GLN A N 1 ATOM 2360 C CA . GLN A 1 293 ? -30.343 -19.540 13.645 1.00 17.24 ? 294 GLN A CA 1 ATOM 2361 C C . GLN A 1 293 ? -29.252 -18.559 14.109 1.00 16.25 ? 294 GLN A C 1 ATOM 2362 O O . GLN A 1 293 ? -28.173 -18.470 13.509 1.00 16.56 ? 294 GLN A O 1 ATOM 2363 C CB . GLN A 1 293 ? -30.094 -20.035 12.213 1.00 17.93 ? 294 GLN A CB 1 ATOM 2364 C CG . GLN A 1 293 ? -31.106 -21.171 11.861 1.00 17.87 ? 294 GLN A CG 1 ATOM 2365 C CD . GLN A 1 293 ? -30.979 -21.751 10.457 1.00 20.73 ? 294 GLN A CD 1 ATOM 2366 O OE1 . GLN A 1 293 ? -30.150 -21.326 9.641 1.00 19.40 ? 294 GLN A OE1 1 ATOM 2367 N NE2 . GLN A 1 293 ? -31.841 -22.725 10.159 1.00 22.21 ? 294 GLN A NE2 1 ATOM 2368 N N . VAL A 1 294 ? -29.533 -17.852 15.205 1.00 16.55 ? 295 VAL A N 1 ATOM 2369 C CA . VAL A 1 294 ? -28.551 -16.918 15.776 1.00 16.11 ? 295 VAL A CA 1 ATOM 2370 C C . VAL A 1 294 ? -28.636 -16.979 17.302 1.00 16.01 ? 295 VAL A C 1 ATOM 2371 O O . VAL A 1 294 ? -29.697 -17.281 17.850 1.00 16.53 ? 295 VAL A O 1 ATOM 2372 C CB . VAL A 1 294 ? -28.793 -15.460 15.327 1.00 16.16 ? 295 VAL A CB 1 ATOM 2373 C CG1 . VAL A 1 294 ? -28.266 -15.238 13.899 1.00 14.61 ? 295 VAL A CG1 1 ATOM 2374 C CG2 . VAL A 1 294 ? -30.276 -15.075 15.412 1.00 15.37 ? 295 VAL A CG2 1 ATOM 2375 N N . PRO A 1 295 ? -27.527 -16.727 17.984 1.00 15.90 ? 296 PRO A N 1 ATOM 2376 C CA . PRO A 1 295 ? -27.484 -16.847 19.452 1.00 16.05 ? 296 PRO A CA 1 ATOM 2377 C C . PRO A 1 295 ? -27.814 -15.580 20.245 1.00 15.85 ? 296 PRO A C 1 ATOM 2378 O O . PRO A 1 295 ? -27.785 -14.463 19.732 1.00 14.57 ? 296 PRO A O 1 ATOM 2379 C CB . PRO A 1 295 ? -26.004 -17.167 19.725 1.00 16.50 ? 296 PRO A CB 1 ATOM 2380 C CG . PRO A 1 295 ? -25.256 -16.397 18.619 1.00 16.15 ? 296 PRO A CG 1 ATOM 2381 C CD . PRO A 1 295 ? -26.189 -16.465 17.399 1.00 15.83 ? 296 PRO A CD 1 ATOM 2382 N N . TYR A 1 296 ? -28.156 -15.788 21.521 1.00 16.74 ? 297 TYR A N 1 ATOM 2383 C CA . TYR A 1 296 ? -28.205 -14.701 22.494 1.00 16.89 ? 297 TYR A CA 1 ATOM 2384 C C . TYR A 1 296 ? -27.618 -15.181 23.824 1.00 16.33 ? 297 TYR A C 1 ATOM 2385 O O . TYR A 1 296 ? -27.440 -16.381 24.024 1.00 17.15 ? 297 TYR A O 1 ATOM 2386 C CB . TYR A 1 296 ? -29.605 -14.133 22.681 1.00 16.25 ? 297 TYR A CB 1 ATOM 2387 C CG . TYR A 1 296 ? -30.628 -15.050 23.325 1.00 18.54 ? 297 TYR A CG 1 ATOM 2388 C CD1 . TYR A 1 296 ? -31.380 -15.936 22.552 1.00 20.64 ? 297 TYR A CD1 1 ATOM 2389 C CD2 . TYR A 1 296 ? -30.897 -14.959 24.683 1.00 20.36 ? 297 TYR A CD2 1 ATOM 2390 C CE1 . TYR A 1 296 ? -32.358 -16.759 23.137 1.00 22.46 ? 297 TYR A CE1 1 ATOM 2391 C CE2 . TYR A 1 296 ? -31.836 -15.808 25.276 1.00 23.02 ? 297 TYR A CE2 1 ATOM 2392 C CZ . TYR A 1 296 ? -32.582 -16.649 24.500 1.00 24.27 ? 297 TYR A CZ 1 ATOM 2393 O OH . TYR A 1 296 ? -33.514 -17.448 25.120 1.00 29.37 ? 297 TYR A OH 1 ATOM 2394 N N . ALA A 1 297 ? -27.263 -14.241 24.693 1.00 17.35 ? 298 ALA A N 1 ATOM 2395 C CA . ALA A 1 297 ? -26.689 -14.616 25.976 1.00 17.45 ? 298 ALA A CA 1 ATOM 2396 C C . ALA A 1 297 ? -27.206 -13.663 27.046 1.00 18.03 ? 298 ALA A C 1 ATOM 2397 O O . ALA A 1 297 ? -27.565 -12.517 26.765 1.00 17.27 ? 298 ALA A O 1 ATOM 2398 C CB . ALA A 1 297 ? -25.191 -14.546 25.905 1.00 17.51 ? 298 ALA A CB 1 ATOM 2399 N N . THR A 1 298 ? -27.248 -14.136 28.294 1.00 18.48 ? 299 THR A N 1 ATOM 2400 C CA . THR A 1 298 ? -27.739 -13.260 29.326 1.00 19.03 ? 299 THR A CA 1 ATOM 2401 C C . THR A 1 298 ? -27.018 -13.501 30.662 1.00 19.13 ? 299 THR A C 1 ATOM 2402 O O . THR A 1 298 ? -26.499 -14.579 30.909 1.00 19.72 ? 299 THR A O 1 ATOM 2403 C CB . THR A 1 298 ? -29.280 -13.428 29.449 1.00 19.83 ? 299 THR A CB 1 ATOM 2404 O OG1 . THR A 1 298 ? -29.818 -12.446 30.341 1.00 22.34 ? 299 THR A OG1 1 ATOM 2405 C CG2 . THR A 1 298 ? -29.633 -14.790 30.055 1.00 21.47 ? 299 THR A CG2 1 ATOM 2406 N N . LYS A 1 299 ? -26.921 -12.448 31.448 1.00 19.37 ? 300 LYS A N 1 ATOM 2407 C CA . LYS A 1 299 ? -26.441 -12.546 32.842 1.00 18.96 ? 300 LYS A CA 1 ATOM 2408 C C . LYS A 1 299 ? -26.892 -11.305 33.580 1.00 19.79 ? 300 LYS A C 1 ATOM 2409 O O . LYS A 1 299 ? -26.990 -10.232 33.002 1.00 18.95 ? 300 LYS A O 1 ATOM 2410 C CB . LYS A 1 299 ? -24.940 -12.793 32.950 1.00 21.15 ? 300 LYS A CB 1 ATOM 2411 C CG . LYS A 1 299 ? -24.058 -11.668 32.517 1.00 21.12 ? 300 LYS A CG 1 ATOM 2412 C CD . LYS A 1 299 ? -22.569 -12.073 32.697 1.00 22.27 ? 300 LYS A CD 1 ATOM 2413 C CE . LYS A 1 299 ? -21.635 -10.926 32.357 1.00 23.01 ? 300 LYS A CE 1 ATOM 2414 N NZ . LYS A 1 299 ? -20.201 -11.402 32.334 1.00 20.32 ? 300 LYS A NZ 1 ATOM 2415 N N . GLY A 1 300 ? -27.193 -11.427 34.879 1.00 19.51 ? 301 GLY A N 1 ATOM 2416 C CA . GLY A 1 300 ? -27.682 -10.260 35.574 1.00 19.73 ? 301 GLY A CA 1 ATOM 2417 C C . GLY A 1 300 ? -28.963 -9.774 34.919 1.00 19.76 ? 301 GLY A C 1 ATOM 2418 O O . GLY A 1 300 ? -29.871 -10.578 34.614 1.00 21.22 ? 301 GLY A O 1 ATOM 2419 N N . ASN A 1 301 ? -29.056 -8.473 34.693 1.00 18.66 ? 302 ASN A N 1 ATOM 2420 C CA . ASN A 1 301 ? -30.225 -7.915 34.012 1.00 18.85 ? 302 ASN A CA 1 ATOM 2421 C C . ASN A 1 301 ? -29.859 -7.532 32.582 1.00 18.01 ? 302 ASN A C 1 ATOM 2422 O O . ASN A 1 301 ? -30.514 -6.681 31.982 1.00 18.21 ? 302 ASN A O 1 ATOM 2423 C CB . ASN A 1 301 ? -30.791 -6.700 34.754 1.00 18.79 ? 302 ASN A CB 1 ATOM 2424 C CG . ASN A 1 301 ? -29.839 -5.513 34.765 1.00 20.62 ? 302 ASN A CG 1 ATOM 2425 O OD1 . ASN A 1 301 ? -28.698 -5.609 34.289 1.00 18.69 ? 302 ASN A OD1 1 ATOM 2426 N ND2 . ASN A 1 301 ? -30.309 -4.382 35.275 1.00 20.70 ? 302 ASN A ND2 1 ATOM 2427 N N . GLN A 1 302 ? -28.799 -8.146 32.064 1.00 17.04 ? 303 GLN A N 1 ATOM 2428 C CA . GLN A 1 302 ? -28.316 -7.823 30.703 1.00 17.38 ? 303 GLN A CA 1 ATOM 2429 C C . GLN A 1 302 ? -28.565 -8.964 29.718 1.00 17.10 ? 303 GLN A C 1 ATOM 2430 O O . GLN A 1 302 ? -28.363 -10.132 30.030 1.00 18.37 ? 303 GLN A O 1 ATOM 2431 C CB . GLN A 1 302 ? -26.832 -7.456 30.740 1.00 17.50 ? 303 GLN A CB 1 ATOM 2432 C CG . GLN A 1 302 ? -26.510 -6.215 31.562 1.00 17.92 ? 303 GLN A CG 1 ATOM 2433 C CD . GLN A 1 302 ? -27.186 -4.970 31.083 1.00 18.44 ? 303 GLN A CD 1 ATOM 2434 O OE1 . GLN A 1 302 ? -28.091 -4.433 31.761 1.00 21.29 ? 303 GLN A OE1 1 ATOM 2435 N NE2 . GLN A 1 302 ? -26.765 -4.471 29.946 1.00 14.62 ? 303 GLN A NE2 1 ATOM 2436 N N . TRP A 1 303 ? -28.982 -8.604 28.508 1.00 17.41 ? 304 TRP A N 1 ATOM 2437 C CA . TRP A 1 303 ? -29.358 -9.594 27.509 1.00 16.39 ? 304 TRP A CA 1 ATOM 2438 C C . TRP A 1 303 ? -28.712 -9.136 26.204 1.00 16.30 ? 304 TRP A C 1 ATOM 2439 O O . TRP A 1 303 ? -28.848 -7.999 25.828 1.00 16.19 ? 304 TRP A O 1 ATOM 2440 C CB . TRP A 1 303 ? -30.886 -9.579 27.374 1.00 16.48 ? 304 TRP A CB 1 ATOM 2441 C CG . TRP A 1 303 ? -31.529 -10.700 26.625 1.00 17.79 ? 304 TRP A CG 1 ATOM 2442 C CD1 . TRP A 1 303 ? -32.130 -11.829 27.151 1.00 19.62 ? 304 TRP A CD1 1 ATOM 2443 C CD2 . TRP A 1 303 ? -31.703 -10.786 25.211 1.00 18.49 ? 304 TRP A CD2 1 ATOM 2444 N NE1 . TRP A 1 303 ? -32.640 -12.613 26.133 1.00 19.31 ? 304 TRP A NE1 1 ATOM 2445 C CE2 . TRP A 1 303 ? -32.421 -11.964 24.939 1.00 19.21 ? 304 TRP A CE2 1 ATOM 2446 C CE3 . TRP A 1 303 ? -31.366 -9.937 24.137 1.00 18.37 ? 304 TRP A CE3 1 ATOM 2447 C CZ2 . TRP A 1 303 ? -32.747 -12.354 23.638 1.00 19.90 ? 304 TRP A CZ2 1 ATOM 2448 C CZ3 . TRP A 1 303 ? -31.694 -10.328 22.842 1.00 18.01 ? 304 TRP A CZ3 1 ATOM 2449 C CH2 . TRP A 1 303 ? -32.381 -11.517 22.612 1.00 19.52 ? 304 TRP A CH2 1 ATOM 2450 N N . VAL A 1 304 ? -28.019 -10.031 25.517 1.00 15.83 ? 305 VAL A N 1 ATOM 2451 C CA . VAL A 1 304 ? -27.270 -9.634 24.341 1.00 15.92 ? 305 VAL A CA 1 ATOM 2452 C C . VAL A 1 304 ? -27.568 -10.556 23.160 1.00 14.87 ? 305 VAL A C 1 ATOM 2453 O O . VAL A 1 304 ? -27.403 -11.776 23.257 1.00 16.29 ? 305 VAL A O 1 ATOM 2454 C CB . VAL A 1 304 ? -25.763 -9.727 24.641 1.00 16.19 ? 305 VAL A CB 1 ATOM 2455 C CG1 . VAL A 1 304 ? -24.949 -9.440 23.377 1.00 16.15 ? 305 VAL A CG1 1 ATOM 2456 C CG2 . VAL A 1 304 ? -25.400 -8.699 25.749 1.00 17.26 ? 305 VAL A CG2 1 ATOM 2457 N N . ALA A 1 305 ? -27.980 -9.959 22.045 1.00 14.79 ? 306 ALA A N 1 ATOM 2458 C CA . ALA A 1 305 ? -28.193 -10.691 20.778 1.00 14.72 ? 306 ALA A CA 1 ATOM 2459 C C . ALA A 1 305 ? -26.902 -10.521 20.001 1.00 14.77 ? 306 ALA A C 1 ATOM 2460 O O . ALA A 1 305 ? -26.425 -9.410 19.852 1.00 14.30 ? 306 ALA A O 1 ATOM 2461 C CB . ALA A 1 305 ? -29.368 -10.135 19.993 1.00 14.18 ? 306 ALA A CB 1 ATOM 2462 N N . TYR A 1 306 ? -26.337 -11.588 19.485 1.00 13.81 ? 307 TYR A N 1 ATOM 2463 C CA . TYR A 1 306 ? -25.049 -11.496 18.800 1.00 13.81 ? 307 TYR A CA 1 ATOM 2464 C C . TYR A 1 306 ? -24.792 -12.643 17.822 1.00 14.52 ? 307 TYR A C 1 ATOM 2465 O O . TYR A 1 306 ? -25.544 -13.619 17.746 1.00 13.93 ? 307 TYR A O 1 ATOM 2466 C CB . TYR A 1 306 ? -23.918 -11.503 19.843 1.00 14.38 ? 307 TYR A CB 1 ATOM 2467 C CG . TYR A 1 306 ? -23.726 -12.859 20.539 1.00 13.33 ? 307 TYR A CG 1 ATOM 2468 C CD1 . TYR A 1 306 ? -24.610 -13.293 21.506 1.00 14.86 ? 307 TYR A CD1 1 ATOM 2469 C CD2 . TYR A 1 306 ? -22.634 -13.680 20.228 1.00 14.87 ? 307 TYR A CD2 1 ATOM 2470 C CE1 . TYR A 1 306 ? -24.432 -14.512 22.135 1.00 16.12 ? 307 TYR A CE1 1 ATOM 2471 C CE2 . TYR A 1 306 ? -22.440 -14.908 20.874 1.00 14.96 ? 307 TYR A CE2 1 ATOM 2472 C CZ . TYR A 1 306 ? -23.347 -15.311 21.832 1.00 17.76 ? 307 TYR A CZ 1 ATOM 2473 O OH . TYR A 1 306 ? -23.158 -16.507 22.484 1.00 18.74 ? 307 TYR A OH 1 ATOM 2474 N N . ASP A 1 307 ? -23.728 -12.505 17.065 1.00 14.19 ? 308 ASP A N 1 ATOM 2475 C CA . ASP A 1 307 ? -23.292 -13.541 16.137 1.00 13.83 ? 308 ASP A CA 1 ATOM 2476 C C . ASP A 1 307 ? -21.938 -14.156 16.580 1.00 14.08 ? 308 ASP A C 1 ATOM 2477 O O . ASP A 1 307 ? -20.992 -13.415 16.887 1.00 15.95 ? 308 ASP A O 1 ATOM 2478 C CB . ASP A 1 307 ? -23.096 -12.948 14.746 1.00 14.03 ? 308 ASP A CB 1 ATOM 2479 C CG . ASP A 1 307 ? -24.373 -12.781 13.969 1.00 14.28 ? 308 ASP A CG 1 ATOM 2480 O OD1 . ASP A 1 307 ? -25.034 -11.727 14.083 1.00 14.28 ? 308 ASP A OD1 1 ATOM 2481 O OD2 . ASP A 1 307 ? -24.714 -13.706 13.216 1.00 14.72 ? 308 ASP A OD2 1 ATOM 2482 N N . ASP A 1 308 ? -21.860 -15.493 16.610 1.00 14.93 ? 309 ASP A N 1 ATOM 2483 C CA . ASP A 1 308 ? -20.661 -16.209 16.944 1.00 15.29 ? 309 ASP A CA 1 ATOM 2484 C C . ASP A 1 308 ? -20.172 -16.929 15.716 1.00 15.76 ? 309 ASP A C 1 ATOM 2485 O O . ASP A 1 308 ? -20.783 -16.874 14.650 1.00 15.16 ? 309 ASP A O 1 ATOM 2486 C CB . ASP A 1 308 ? -20.906 -17.240 18.061 1.00 16.44 ? 309 ASP A CB 1 ATOM 2487 C CG . ASP A 1 308 ? -22.100 -18.139 17.754 1.00 17.39 ? 309 ASP A CG 1 ATOM 2488 O OD1 . ASP A 1 308 ? -22.637 -18.044 16.629 1.00 17.16 ? 309 ASP A OD1 1 ATOM 2489 O OD2 . ASP A 1 308 ? -22.483 -18.926 18.640 1.00 19.01 ? 309 ASP A OD2 1 ATOM 2490 N N . GLN A 1 309 ? -19.074 -17.629 15.882 1.00 15.61 ? 310 GLN A N 1 ATOM 2491 C CA . GLN A 1 309 ? -18.470 -18.404 14.789 1.00 17.08 ? 310 GLN A CA 1 ATOM 2492 C C . GLN A 1 309 ? -19.502 -19.268 14.067 1.00 17.00 ? 310 GLN A C 1 ATOM 2493 O O . GLN A 1 309 ? -19.538 -19.295 12.824 1.00 16.48 ? 310 GLN A O 1 ATOM 2494 C CB . GLN A 1 309 ? -17.298 -19.205 15.340 1.00 18.13 ? 310 GLN A CB 1 ATOM 2495 C CG . GLN A 1 309 ? -16.052 -18.332 15.580 1.00 21.41 ? 310 GLN A CG 1 ATOM 2496 C CD . GLN A 1 309 ? -15.042 -18.957 16.527 1.00 29.01 ? 310 GLN A CD 1 ATOM 2497 O OE1 . GLN A 1 309 ? -13.876 -19.121 16.176 1.00 33.69 ? 310 GLN A OE1 1 ATOM 2498 N NE2 . GLN A 1 309 ? -15.264 -19.367 17.764 1.00 31.11 ? 310 GLN A NE2 1 ATOM 2499 N N . GLU A 1 310 ? -20.331 -19.981 14.830 1.00 16.69 ? 311 GLU A N 1 ATOM 2500 C CA . GLU A 1 310 ? -21.335 -20.842 14.235 1.00 16.73 ? 311 GLU A CA 1 ATOM 2501 C C . GLU A 1 310 ? -22.341 -20.073 13.369 1.00 15.95 ? 311 GLU A C 1 ATOM 2502 O O . GLU A 1 310 ? -22.646 -20.501 12.261 1.00 15.93 ? 311 GLU A O 1 ATOM 2503 C CB . GLU A 1 310 ? -22.059 -21.669 15.321 1.00 18.18 ? 311 GLU A CB 1 ATOM 2504 C CG . GLU A 1 310 ? -23.216 -22.522 14.824 1.00 20.67 ? 311 GLU A CG 1 ATOM 2505 C CD . GLU A 1 310 ? -23.947 -23.282 15.953 1.00 26.37 ? 311 GLU A CD 1 ATOM 2506 O OE1 . GLU A 1 310 ? -23.485 -23.268 17.128 1.00 26.72 ? 311 GLU A OE1 1 ATOM 2507 O OE2 . GLU A 1 310 ? -25.010 -23.899 15.665 1.00 27.70 ? 311 GLU A OE2 1 ATOM 2508 N N . SER A 1 311 ? -22.810 -18.939 13.872 1.00 14.82 ? 312 SER A N 1 ATOM 2509 C CA . SER A 1 311 ? -23.847 -18.198 13.138 1.00 14.09 ? 312 SER A CA 1 ATOM 2510 C C . SER A 1 311 ? -23.296 -17.531 11.893 1.00 13.87 ? 312 SER A C 1 ATOM 2511 O O . SER A 1 311 ? -23.985 -17.461 10.859 1.00 14.01 ? 312 SER A O 1 ATOM 2512 C CB . SER A 1 311 ? -24.614 -17.199 14.027 1.00 14.75 ? 312 SER A CB 1 ATOM 2513 O OG . SER A 1 311 ? -23.808 -16.113 14.431 1.00 14.77 ? 312 SER A OG 1 ATOM 2514 N N . VAL A 1 312 ? -22.059 -17.013 11.976 1.00 14.33 ? 313 VAL A N 1 ATOM 2515 C CA . VAL A 1 312 ? -21.494 -16.385 10.783 1.00 14.32 ? 313 VAL A CA 1 ATOM 2516 C C . VAL A 1 312 ? -21.145 -17.417 9.711 1.00 14.09 ? 313 VAL A C 1 ATOM 2517 O O . VAL A 1 312 ? -21.308 -17.150 8.526 1.00 13.91 ? 313 VAL A O 1 ATOM 2518 C CB . VAL A 1 312 ? -20.322 -15.382 11.064 1.00 14.01 ? 313 VAL A CB 1 ATOM 2519 C CG1 . VAL A 1 312 ? -20.746 -14.358 12.143 1.00 14.06 ? 313 VAL A CG1 1 ATOM 2520 C CG2 . VAL A 1 312 ? -19.048 -16.097 11.468 1.00 15.72 ? 313 VAL A CG2 1 ATOM 2521 N N . LYS A 1 313 ? -20.695 -18.600 10.126 1.00 14.39 ? 314 LYS A N 1 ATOM 2522 C CA . LYS A 1 313 ? -20.465 -19.680 9.162 1.00 14.78 ? 314 LYS A CA 1 ATOM 2523 C C . LYS A 1 313 ? -21.764 -20.084 8.482 1.00 14.90 ? 314 LYS A C 1 ATOM 2524 O O . LYS A 1 313 ? -21.814 -20.297 7.269 1.00 14.78 ? 314 LYS A O 1 ATOM 2525 C CB . LYS A 1 313 ? -19.811 -20.877 9.850 1.00 15.24 ? 314 LYS A CB 1 ATOM 2526 C CG . LYS A 1 313 ? -18.366 -20.597 10.263 1.00 15.51 ? 314 LYS A CG 1 ATOM 2527 C CD . LYS A 1 313 ? -17.636 -21.901 10.633 1.00 21.66 ? 314 LYS A CD 1 ATOM 2528 C CE . LYS A 1 313 ? -16.108 -21.716 10.658 1.00 26.52 ? 314 LYS A CE 1 ATOM 2529 N NZ . LYS A 1 313 ? -15.375 -21.356 9.371 1.00 30.11 ? 314 LYS A NZ 1 ATOM 2530 N N . ASN A 1 314 ? -22.829 -20.142 9.266 1.00 14.58 ? 315 ASN A N 1 ATOM 2531 C CA . ASN A 1 314 ? -24.130 -20.525 8.764 1.00 14.83 ? 315 ASN A CA 1 ATOM 2532 C C . ASN A 1 314 ? -24.617 -19.524 7.725 1.00 14.61 ? 315 ASN A C 1 ATOM 2533 O O . ASN A 1 314 ? -25.138 -19.896 6.663 1.00 15.60 ? 315 ASN A O 1 ATOM 2534 C CB . ASN A 1 314 ? -25.086 -20.631 9.954 1.00 14.79 ? 315 ASN A CB 1 ATOM 2535 C CG . ASN A 1 314 ? -26.462 -21.088 9.565 1.00 16.69 ? 315 ASN A CG 1 ATOM 2536 O OD1 . ASN A 1 314 ? -27.461 -20.373 9.798 1.00 20.54 ? 315 ASN A OD1 1 ATOM 2537 N ND2 . ASN A 1 314 ? -26.552 -22.308 9.042 1.00 15.70 ? 315 ASN A ND2 1 ATOM 2538 N N . LYS A 1 315 ? -24.417 -18.240 8.022 1.00 14.02 ? 316 LYS A N 1 ATOM 2539 C CA . LYS A 1 315 ? -24.763 -17.186 7.056 1.00 13.66 ? 316 LYS A CA 1 ATOM 2540 C C . LYS A 1 315 ? -23.894 -17.234 5.810 1.00 13.47 ? 316 LYS A C 1 ATOM 2541 O O . LYS A 1 315 ? -24.365 -16.969 4.731 1.00 13.75 ? 316 LYS A O 1 ATOM 2542 C CB . LYS A 1 315 ? -24.659 -15.826 7.700 1.00 13.73 ? 316 LYS A CB 1 ATOM 2543 C CG . LYS A 1 315 ? -25.810 -15.593 8.681 1.00 12.85 ? 316 LYS A CG 1 ATOM 2544 C CD . LYS A 1 315 ? -25.589 -14.376 9.564 1.00 12.31 ? 316 LYS A CD 1 ATOM 2545 C CE . LYS A 1 315 ? -26.834 -14.171 10.454 1.00 12.74 ? 316 LYS A CE 1 ATOM 2546 N NZ . LYS A 1 315 ? -26.622 -12.941 11.347 1.00 14.25 ? 316 LYS A NZ 1 ATOM 2547 N N . ALA A 1 316 ? -22.613 -17.538 5.966 1.00 14.05 ? 317 ALA A N 1 ATOM 2548 C CA . ALA A 1 316 ? -21.756 -17.686 4.793 1.00 14.56 ? 317 ALA A CA 1 ATOM 2549 C C . ALA A 1 316 ? -22.210 -18.865 3.912 1.00 14.89 ? 317 ALA A C 1 ATOM 2550 O O . ALA A 1 316 ? -22.176 -18.774 2.681 1.00 14.20 ? 317 ALA A O 1 ATOM 2551 C CB . ALA A 1 316 ? -20.295 -17.874 5.215 1.00 13.95 ? 317 ALA A CB 1 ATOM 2552 N N . ARG A 1 317 ? -22.628 -19.981 4.525 1.00 14.20 ? 318 ARG A N 1 ATOM 2553 C CA . ARG A 1 317 ? -23.109 -21.088 3.716 1.00 14.97 ? 318 ARG A CA 1 ATOM 2554 C C . ARG A 1 317 ? -24.373 -20.683 2.968 1.00 13.86 ? 318 ARG A C 1 ATOM 2555 O O . ARG A 1 317 ? -24.546 -20.998 1.790 1.00 15.13 ? 318 ARG A O 1 ATOM 2556 C CB . ARG A 1 317 ? -23.380 -22.306 4.599 1.00 14.72 ? 318 ARG A CB 1 ATOM 2557 C CG . ARG A 1 317 ? -22.097 -22.907 5.132 1.00 16.85 ? 318 ARG A CG 1 ATOM 2558 C CD . ARG A 1 317 ? -22.326 -24.258 5.810 1.00 21.42 ? 318 ARG A CD 1 ATOM 2559 N NE . ARG A 1 317 ? -23.282 -24.140 6.901 1.00 27.82 ? 318 ARG A NE 1 ATOM 2560 C CZ . ARG A 1 317 ? -22.959 -24.041 8.200 1.00 28.52 ? 318 ARG A CZ 1 ATOM 2561 N NH1 . ARG A 1 317 ? -21.687 -24.058 8.588 1.00 25.57 ? 318 ARG A NH1 1 ATOM 2562 N NH2 . ARG A 1 317 ? -23.927 -23.947 9.104 1.00 32.53 ? 318 ARG A NH2 1 ATOM 2563 N N . TYR A 1 318 ? -25.225 -19.930 3.661 1.00 14.43 ? 319 TYR A N 1 ATOM 2564 C CA . TYR A 1 318 ? -26.469 -19.474 3.060 1.00 13.99 ? 319 TYR A CA 1 ATOM 2565 C C . TYR A 1 318 ? -26.225 -18.614 1.838 1.00 13.96 ? 319 TYR A C 1 ATOM 2566 O O . TYR A 1 318 ? -26.783 -18.869 0.771 1.00 13.76 ? 319 TYR A O 1 ATOM 2567 C CB . TYR A 1 318 ? -27.324 -18.744 4.102 1.00 13.73 ? 319 TYR A CB 1 ATOM 2568 C CG . TYR A 1 318 ? -28.521 -18.041 3.519 1.00 14.19 ? 319 TYR A CG 1 ATOM 2569 C CD1 . TYR A 1 318 ? -29.744 -18.698 3.368 1.00 16.28 ? 319 TYR A CD1 1 ATOM 2570 C CD2 . TYR A 1 318 ? -28.436 -16.722 3.094 1.00 13.82 ? 319 TYR A CD2 1 ATOM 2571 C CE1 . TYR A 1 318 ? -30.846 -18.045 2.819 1.00 15.69 ? 319 TYR A CE1 1 ATOM 2572 C CE2 . TYR A 1 318 ? -29.526 -16.064 2.546 1.00 14.80 ? 319 TYR A CE2 1 ATOM 2573 C CZ . TYR A 1 318 ? -30.732 -16.733 2.402 1.00 15.76 ? 319 TYR A CZ 1 ATOM 2574 O OH . TYR A 1 318 ? -31.793 -16.074 1.850 1.00 17.21 ? 319 TYR A OH 1 ATOM 2575 N N . LEU A 1 319 ? -25.326 -17.641 1.952 1.00 12.93 ? 320 LEU A N 1 ATOM 2576 C CA . LEU A 1 319 ? -25.185 -16.731 0.832 1.00 12.69 ? 320 LEU A CA 1 ATOM 2577 C C . LEU A 1 319 ? -24.527 -17.454 -0.368 1.00 13.24 ? 320 LEU A C 1 ATOM 2578 O O . LEU A 1 319 ? -24.846 -17.146 -1.514 1.00 13.70 ? 320 LEU A O 1 ATOM 2579 C CB . LEU A 1 319 ? -24.350 -15.501 1.242 1.00 12.42 ? 320 LEU A CB 1 ATOM 2580 C CG . LEU A 1 319 ? -22.865 -15.625 1.519 1.00 12.26 ? 320 LEU A CG 1 ATOM 2581 C CD1 . LEU A 1 319 ? -22.032 -15.481 0.201 1.00 13.72 ? 320 LEU A CD1 1 ATOM 2582 C CD2 . LEU A 1 319 ? -22.413 -14.602 2.615 1.00 13.42 ? 320 LEU A CD2 1 ATOM 2583 N N . LYS A 1 320 ? -23.650 -18.428 -0.114 1.00 13.84 ? 321 LYS A N 1 ATOM 2584 C CA . LYS A 1 320 ? -23.052 -19.207 -1.206 1.00 15.30 ? 321 LYS A CA 1 ATOM 2585 C C . LYS A 1 320 ? -24.155 -20.033 -1.864 1.00 15.08 ? 321 LYS A C 1 ATOM 2586 O O . LYS A 1 320 ? -24.195 -20.160 -3.098 1.00 16.33 ? 321 LYS A O 1 ATOM 2587 C CB . LYS A 1 320 ? -21.966 -20.146 -0.708 1.00 15.51 ? 321 LYS A CB 1 ATOM 2588 C CG . LYS A 1 320 ? -20.742 -19.413 -0.211 1.00 17.22 ? 321 LYS A CG 1 ATOM 2589 C CD . LYS A 1 320 ? -19.777 -20.346 0.510 1.00 22.34 ? 321 LYS A CD 1 ATOM 2590 C CE . LYS A 1 320 ? -19.084 -21.296 -0.440 1.00 22.02 ? 321 LYS A CE 1 ATOM 2591 N NZ . LYS A 1 320 ? -18.516 -22.464 0.316 1.00 23.32 ? 321 LYS A NZ 1 ATOM 2592 N N . ASN A 1 321 ? -25.038 -20.602 -1.048 1.00 15.28 ? 322 ASN A N 1 ATOM 2593 C CA . ASN A 1 321 ? -26.148 -21.395 -1.602 1.00 16.51 ? 322 ASN A CA 1 ATOM 2594 C C . ASN A 1 321 ? -27.107 -20.574 -2.481 1.00 16.89 ? 322 ASN A C 1 ATOM 2595 O O . ASN A 1 321 ? -27.740 -21.125 -3.396 1.00 18.51 ? 322 ASN A O 1 ATOM 2596 C CB . ASN A 1 321 ? -26.900 -22.088 -0.470 1.00 15.82 ? 322 ASN A CB 1 ATOM 2597 C CG . ASN A 1 321 ? -26.140 -23.285 0.084 1.00 17.22 ? 322 ASN A CG 1 ATOM 2598 O OD1 . ASN A 1 321 ? -25.390 -23.916 -0.639 1.00 23.60 ? 322 ASN A OD1 1 ATOM 2599 N ND2 . ASN A 1 321 ? -26.416 -23.650 1.334 1.00 21.88 ? 322 ASN A ND2 1 ATOM 2600 N N . ARG A 1 322 ? -27.201 -19.269 -2.203 1.00 17.09 ? 323 ARG A N 1 ATOM 2601 C CA . ARG A 1 322 ? -27.986 -18.356 -3.020 1.00 17.13 ? 323 ARG A CA 1 ATOM 2602 C C . ARG A 1 322 ? -27.169 -17.698 -4.121 1.00 15.97 ? 323 ARG A C 1 ATOM 2603 O O . ARG A 1 322 ? -27.685 -16.853 -4.851 1.00 16.51 ? 323 ARG A O 1 ATOM 2604 C CB . ARG A 1 322 ? -28.690 -17.343 -2.125 1.00 17.98 ? 323 ARG A CB 1 ATOM 2605 C CG . ARG A 1 322 ? -29.488 -18.161 -1.147 1.00 20.96 ? 323 ARG A CG 1 ATOM 2606 C CD . ARG A 1 322 ? -30.804 -17.672 -0.850 1.00 22.18 ? 323 ARG A CD 1 ATOM 2607 N NE . ARG A 1 322 ? -31.663 -17.531 -2.006 1.00 20.84 ? 323 ARG A NE 1 ATOM 2608 C CZ . ARG A 1 322 ? -32.733 -16.786 -1.955 1.00 20.91 ? 323 ARG A CZ 1 ATOM 2609 N NH1 . ARG A 1 322 ? -32.996 -16.096 -0.848 1.00 21.53 ? 323 ARG A NH1 1 ATOM 2610 N NH2 . ARG A 1 322 ? -33.525 -16.683 -3.013 1.00 24.27 ? 323 ARG A NH2 1 ATOM 2611 N N . GLN A 1 323 ? -25.914 -18.139 -4.245 1.00 16.49 ? 324 GLN A N 1 ATOM 2612 C CA . GLN A 1 323 ? -24.992 -17.723 -5.307 1.00 16.58 ? 324 GLN A CA 1 ATOM 2613 C C . GLN A 1 323 ? -24.784 -16.226 -5.272 1.00 16.06 ? 324 GLN A C 1 ATOM 2614 O O . GLN A 1 323 ? -24.648 -15.586 -6.307 1.00 17.05 ? 324 GLN A O 1 ATOM 2615 C CB . GLN A 1 323 ? -25.493 -18.173 -6.691 1.00 18.82 ? 324 GLN A CB 1 ATOM 2616 C CG . GLN A 1 323 ? -25.529 -19.709 -6.757 1.00 22.26 ? 324 GLN A CG 1 ATOM 2617 C CD . GLN A 1 323 ? -25.961 -20.238 -8.086 1.00 30.65 ? 324 GLN A CD 1 ATOM 2618 O OE1 . GLN A 1 323 ? -27.067 -19.948 -8.555 1.00 34.82 ? 324 GLN A OE1 1 ATOM 2619 N NE2 . GLN A 1 323 ? -25.098 -21.027 -8.705 1.00 34.97 ? 324 GLN A NE2 1 ATOM 2620 N N . LEU A 1 324 ? -24.759 -15.683 -4.067 1.00 14.85 ? 325 LEU A N 1 ATOM 2621 C CA . LEU A 1 324 ? -24.462 -14.258 -3.945 1.00 15.05 ? 325 LEU A CA 1 ATOM 2622 C C . LEU A 1 324 ? -22.998 -13.949 -4.225 1.00 15.17 ? 325 LEU A C 1 ATOM 2623 O O . LEU A 1 324 ? -22.142 -14.837 -4.306 1.00 15.44 ? 325 LEU A O 1 ATOM 2624 C CB . LEU A 1 324 ? -24.852 -13.751 -2.556 1.00 14.40 ? 325 LEU A CB 1 ATOM 2625 C CG . LEU A 1 324 ? -26.315 -13.928 -2.165 1.00 15.51 ? 325 LEU A CG 1 ATOM 2626 C CD1 . LEU A 1 324 ? -26.644 -13.084 -0.928 1.00 19.57 ? 325 LEU A CD1 1 ATOM 2627 C CD2 . LEU A 1 324 ? -27.320 -13.618 -3.306 1.00 16.02 ? 325 LEU A CD2 1 ATOM 2628 N N . ALA A 1 325 ? -22.696 -12.664 -4.399 1.00 14.85 ? 326 ALA A N 1 ATOM 2629 C CA . ALA A 1 325 ? -21.326 -12.246 -4.678 1.00 14.60 ? 326 ALA A CA 1 ATOM 2630 C C . ALA A 1 325 ? -20.365 -12.444 -3.520 1.00 14.29 ? 326 ALA A C 1 ATOM 2631 O O . ALA A 1 325 ? -19.155 -12.567 -3.742 1.00 15.39 ? 326 ALA A O 1 ATOM 2632 C CB . ALA A 1 325 ? -21.295 -10.775 -5.089 1.00 14.40 ? 326 ALA A CB 1 ATOM 2633 N N . GLY A 1 326 ? -20.889 -12.476 -2.299 1.00 14.45 ? 327 GLY A N 1 ATOM 2634 C CA . GLY A 1 326 ? -20.031 -12.655 -1.151 1.00 12.92 ? 327 GLY A CA 1 ATOM 2635 C C . GLY A 1 326 ? -20.655 -12.079 0.104 1.00 12.71 ? 327 GLY A C 1 ATOM 2636 O O . GLY A 1 326 ? -21.891 -11.906 0.179 1.00 12.81 ? 327 GLY A O 1 ATOM 2637 N N . ALA A 1 327 ? -19.790 -11.781 1.078 1.00 11.94 ? 328 ALA A N 1 ATOM 2638 C CA . ALA A 1 327 ? -20.222 -11.287 2.386 1.00 11.73 ? 328 ALA A CA 1 ATOM 2639 C C . ALA A 1 327 ? -19.620 -9.931 2.665 1.00 12.48 ? 328 ALA A C 1 ATOM 2640 O O . ALA A 1 327 ? -18.557 -9.593 2.139 1.00 12.26 ? 328 ALA A O 1 ATOM 2641 C CB . ALA A 1 327 ? -19.754 -12.252 3.487 1.00 12.69 ? 328 ALA A CB 1 ATOM 2642 N N . MET A 1 328 ? -20.308 -9.166 3.517 1.00 12.20 ? 329 MET A N 1 ATOM 2643 C CA . MET A 1 328 ? -19.780 -7.894 4.006 1.00 11.73 ? 329 MET A CA 1 ATOM 2644 C C . MET A 1 328 ? -19.762 -8.022 5.518 1.00 12.75 ? 329 MET A C 1 ATOM 2645 O O . MET A 1 328 ? -20.681 -8.624 6.112 1.00 12.31 ? 329 MET A O 1 ATOM 2646 C CB . MET A 1 328 ? -20.635 -6.701 3.532 1.00 11.38 ? 329 MET A CB 1 ATOM 2647 C CG . MET A 1 328 ? -20.243 -5.325 4.145 1.00 11.96 ? 329 MET A CG 1 ATOM 2648 S SD . MET A 1 328 ? -20.957 -5.047 5.781 1.00 13.13 ? 329 MET A SD 1 ATOM 2649 C CE . MET A 1 328 ? -22.547 -4.424 5.301 1.00 13.55 ? 329 MET A CE 1 ATOM 2650 N N . VAL A 1 329 ? -18.703 -7.494 6.132 1.00 11.47 ? 330 VAL A N 1 ATOM 2651 C CA . VAL A 1 329 ? -18.574 -7.533 7.582 1.00 12.85 ? 330 VAL A CA 1 ATOM 2652 C C . VAL A 1 329 ? -18.507 -6.107 8.139 1.00 12.61 ? 330 VAL A C 1 ATOM 2653 O O . VAL A 1 329 ? -17.688 -5.305 7.706 1.00 13.18 ? 330 VAL A O 1 ATOM 2654 C CB . VAL A 1 329 ? -17.323 -8.309 7.956 1.00 14.01 ? 330 VAL A CB 1 ATOM 2655 C CG1 . VAL A 1 329 ? -16.976 -8.133 9.415 1.00 17.54 ? 330 VAL A CG1 1 ATOM 2656 C CG2 . VAL A 1 329 ? -17.532 -9.782 7.590 1.00 16.18 ? 330 VAL A CG2 1 ATOM 2657 N N . TRP A 1 330 ? -19.385 -5.812 9.104 1.00 11.48 ? 331 TRP A N 1 ATOM 2658 C CA . TRP A 1 330 ? -19.331 -4.550 9.847 1.00 12.18 ? 331 TRP A CA 1 ATOM 2659 C C . TRP A 1 330 ? -19.065 -4.953 11.282 1.00 12.62 ? 331 TRP A C 1 ATOM 2660 O O . TRP A 1 330 ? -19.955 -5.512 11.929 1.00 12.27 ? 331 TRP A O 1 ATOM 2661 C CB . TRP A 1 330 ? -20.669 -3.782 9.770 1.00 13.10 ? 331 TRP A CB 1 ATOM 2662 C CG . TRP A 1 330 ? -20.542 -2.469 10.524 1.00 13.01 ? 331 TRP A CG 1 ATOM 2663 C CD1 . TRP A 1 330 ? -20.563 -2.256 11.903 1.00 13.28 ? 331 TRP A CD1 1 ATOM 2664 C CD2 . TRP A 1 330 ? -20.239 -1.207 9.940 1.00 14.18 ? 331 TRP A CD2 1 ATOM 2665 N NE1 . TRP A 1 330 ? -20.293 -0.930 12.171 1.00 14.57 ? 331 TRP A NE1 1 ATOM 2666 C CE2 . TRP A 1 330 ? -20.104 -0.269 10.988 1.00 14.56 ? 331 TRP A CE2 1 ATOM 2667 C CE3 . TRP A 1 330 ? -20.072 -0.769 8.621 1.00 15.57 ? 331 TRP A CE3 1 ATOM 2668 C CZ2 . TRP A 1 330 ? -19.838 1.078 10.759 1.00 15.29 ? 331 TRP A CZ2 1 ATOM 2669 C CZ3 . TRP A 1 330 ? -19.790 0.580 8.394 1.00 17.04 ? 331 TRP A CZ3 1 ATOM 2670 C CH2 . TRP A 1 330 ? -19.661 1.478 9.463 1.00 17.81 ? 331 TRP A CH2 1 ATOM 2671 N N . ALA A 1 331 ? -17.862 -4.719 11.831 1.00 12.49 ? 332 ALA A N 1 ATOM 2672 C CA . ALA A 1 331 ? -16.722 -4.059 11.213 1.00 12.34 ? 332 ALA A CA 1 ATOM 2673 C C . ALA A 1 331 ? -15.451 -4.697 11.806 1.00 12.78 ? 332 ALA A C 1 ATOM 2674 O O . ALA A 1 331 ? -15.507 -5.336 12.853 1.00 13.50 ? 332 ALA A O 1 ATOM 2675 C CB . ALA A 1 331 ? -16.747 -2.574 11.519 1.00 13.42 ? 332 ALA A CB 1 ATOM 2676 N N . LEU A 1 332 ? -14.322 -4.520 11.137 1.00 11.64 ? 333 LEU A N 1 ATOM 2677 C CA . LEU A 1 332 ? -13.093 -5.134 11.590 1.00 12.06 ? 333 LEU A CA 1 ATOM 2678 C C . LEU A 1 332 ? -12.727 -4.750 13.012 1.00 11.48 ? 333 LEU A C 1 ATOM 2679 O O . LEU A 1 332 ? -12.254 -5.610 13.758 1.00 12.88 ? 333 LEU A O 1 ATOM 2680 C CB . LEU A 1 332 ? -11.936 -4.780 10.640 1.00 11.64 ? 333 LEU A CB 1 ATOM 2681 C CG . LEU A 1 332 ? -12.089 -5.388 9.236 1.00 12.55 ? 333 LEU A CG 1 ATOM 2682 C CD1 . LEU A 1 332 ? -11.125 -4.710 8.260 1.00 14.98 ? 333 LEU A CD1 1 ATOM 2683 C CD2 . LEU A 1 332 ? -11.891 -6.923 9.242 1.00 15.19 ? 333 LEU A CD2 1 ATOM 2684 N N . ASP A 1 333 ? -12.947 -3.493 13.377 1.00 11.79 ? 334 ASP A N 1 ATOM 2685 C CA . ASP A 1 333 ? -12.539 -3.032 14.713 1.00 12.65 ? 334 ASP A CA 1 ATOM 2686 C C . ASP A 1 333 ? -13.461 -3.536 15.816 1.00 13.22 ? 334 ASP A C 1 ATOM 2687 O O . ASP A 1 333 ? -13.177 -3.335 17.004 1.00 13.94 ? 334 ASP A O 1 ATOM 2688 C CB . ASP A 1 333 ? -12.487 -1.513 14.701 1.00 13.02 ? 334 ASP A CB 1 ATOM 2689 C CG . ASP A 1 333 ? -13.766 -0.914 14.205 1.00 13.39 ? 334 ASP A CG 1 ATOM 2690 O OD1 . ASP A 1 333 ? -14.697 -0.780 15.037 1.00 13.82 ? 334 ASP A OD1 1 ATOM 2691 O OD2 . ASP A 1 333 ? -13.892 -0.543 13.006 1.00 14.37 ? 334 ASP A OD2 1 ATOM 2692 N N . LEU A 1 334 ? -14.566 -4.185 15.446 1.00 12.95 ? 335 LEU A N 1 ATOM 2693 C CA . LEU A 1 334 ? -15.475 -4.777 16.417 1.00 12.23 ? 335 LEU A CA 1 ATOM 2694 C C . LEU A 1 334 ? -15.307 -6.296 16.525 1.00 13.55 ? 335 LEU A C 1 ATOM 2695 O O . LEU A 1 334 ? -15.813 -6.889 17.457 1.00 15.09 ? 335 LEU A O 1 ATOM 2696 C CB . LEU A 1 334 ? -16.929 -4.449 16.088 1.00 12.59 ? 335 LEU A CB 1 ATOM 2697 C CG . LEU A 1 334 ? -17.232 -2.964 16.015 1.00 13.37 ? 335 LEU A CG 1 ATOM 2698 C CD1 . LEU A 1 334 ? -18.590 -2.688 15.349 1.00 14.12 ? 335 LEU A CD1 1 ATOM 2699 C CD2 . LEU A 1 334 ? -17.126 -2.264 17.396 1.00 13.52 ? 335 LEU A CD2 1 ATOM 2700 N N . ASP A 1 335 ? -14.613 -6.921 15.569 1.00 12.75 ? 336 ASP A N 1 ATOM 2701 C CA . ASP A 1 335 ? -14.246 -8.343 15.707 1.00 13.60 ? 336 ASP A CA 1 ATOM 2702 C C . ASP A 1 335 ? -13.117 -8.380 16.757 1.00 13.87 ? 336 ASP A C 1 ATOM 2703 O O . ASP A 1 335 ? -12.642 -7.325 17.218 1.00 14.47 ? 336 ASP A O 1 ATOM 2704 C CB . ASP A 1 335 ? -13.714 -8.812 14.365 1.00 12.36 ? 336 ASP A CB 1 ATOM 2705 C CG . ASP A 1 335 ? -13.749 -10.306 14.171 1.00 13.28 ? 336 ASP A CG 1 ATOM 2706 O OD1 . ASP A 1 335 ? -13.907 -11.104 15.153 1.00 14.45 ? 336 ASP A OD1 1 ATOM 2707 O OD2 . ASP A 1 335 ? -13.581 -10.772 13.027 1.00 13.09 ? 336 ASP A OD2 1 ATOM 2708 N N . ASP A 1 336 ? -12.686 -9.578 17.156 1.00 14.08 ? 337 ASP A N 1 ATOM 2709 C CA . ASP A 1 336 ? -11.569 -9.666 18.115 1.00 15.26 ? 337 ASP A CA 1 ATOM 2710 C C . ASP A 1 336 ? -10.267 -9.555 17.306 1.00 15.30 ? 337 ASP A C 1 ATOM 2711 O O . ASP A 1 336 ? -9.579 -10.548 17.011 1.00 16.08 ? 337 ASP A O 1 ATOM 2712 C CB . ASP A 1 336 ? -11.670 -10.975 18.901 1.00 14.47 ? 337 ASP A CB 1 ATOM 2713 C CG . ASP A 1 336 ? -10.608 -11.099 19.975 1.00 18.20 ? 337 ASP A CG 1 ATOM 2714 O OD1 . ASP A 1 336 ? -9.928 -10.101 20.310 1.00 19.35 ? 337 ASP A OD1 1 ATOM 2715 O OD2 . ASP A 1 336 ? -10.377 -12.199 20.495 1.00 18.80 ? 337 ASP A OD2 1 ATOM 2716 N N . PHE A 1 337 ? -9.965 -8.321 16.916 1.00 15.60 ? 338 PHE A N 1 ATOM 2717 C CA . PHE A 1 337 ? -8.846 -8.044 16.029 1.00 15.88 ? 338 PHE A CA 1 ATOM 2718 C C . PHE A 1 337 ? -7.520 -8.322 16.712 1.00 16.47 ? 338 PHE A C 1 ATOM 2719 O O . PHE A 1 337 ? -6.566 -8.670 16.044 1.00 16.70 ? 338 PHE A O 1 ATOM 2720 C CB . PHE A 1 337 ? -8.885 -6.603 15.469 1.00 15.02 ? 338 PHE A CB 1 ATOM 2721 C CG . PHE A 1 337 ? -8.802 -5.521 16.506 1.00 14.76 ? 338 PHE A CG 1 ATOM 2722 C CD1 . PHE A 1 337 ? -9.948 -5.028 17.122 1.00 14.80 ? 338 PHE A CD1 1 ATOM 2723 C CD2 . PHE A 1 337 ? -7.576 -4.947 16.814 1.00 14.56 ? 338 PHE A CD2 1 ATOM 2724 C CE1 . PHE A 1 337 ? -9.880 -3.998 18.073 1.00 15.21 ? 338 PHE A CE1 1 ATOM 2725 C CE2 . PHE A 1 337 ? -7.508 -3.902 17.743 1.00 15.06 ? 338 PHE A CE2 1 ATOM 2726 C CZ . PHE A 1 337 ? -8.630 -3.438 18.380 1.00 14.44 ? 338 PHE A CZ 1 ATOM 2727 N N . ARG A 1 338 ? -7.500 -8.206 18.040 1.00 17.24 ? 339 ARG A N 1 ATOM 2728 C CA . ARG A 1 338 ? -6.288 -8.523 18.791 1.00 19.91 ? 339 ARG A CA 1 ATOM 2729 C C . ARG A 1 338 ? -6.094 -10.017 18.986 1.00 20.49 ? 339 ARG A C 1 ATOM 2730 O O . ARG A 1 338 ? -4.956 -10.493 19.119 1.00 20.96 ? 339 ARG A O 1 ATOM 2731 C CB . ARG A 1 338 ? -6.327 -7.842 20.148 1.00 19.63 ? 339 ARG A CB 1 ATOM 2732 C CG . ARG A 1 338 ? -6.228 -6.339 20.002 1.00 22.55 ? 339 ARG A CG 1 ATOM 2733 C CD . ARG A 1 338 ? -5.892 -5.602 21.251 1.00 24.23 ? 339 ARG A CD 1 ATOM 2734 N NE . ARG A 1 338 ? -5.879 -4.170 20.989 1.00 23.74 ? 339 ARG A NE 1 ATOM 2735 C CZ . ARG A 1 338 ? -4.796 -3.456 20.715 1.00 24.30 ? 339 ARG A CZ 1 ATOM 2736 N NH1 . ARG A 1 338 ? -3.598 -4.024 20.707 1.00 24.11 ? 339 ARG A NH1 1 ATOM 2737 N NH2 . ARG A 1 338 ? -4.914 -2.153 20.503 1.00 24.43 ? 339 ARG A NH2 1 ATOM 2738 N N . GLY A 1 339 ? -7.199 -10.753 18.988 1.00 20.32 ? 340 GLY A N 1 ATOM 2739 C CA . GLY A 1 339 ? -7.174 -12.205 19.104 1.00 20.69 ? 340 GLY A CA 1 ATOM 2740 C C . GLY A 1 339 ? -7.060 -12.694 20.538 1.00 21.63 ? 340 GLY A C 1 ATOM 2741 O O . GLY A 1 339 ? -6.933 -13.895 20.784 1.00 22.07 ? 340 GLY A O 1 ATOM 2742 N N . THR A 1 340 ? -7.152 -11.751 21.460 1.00 21.07 ? 341 THR A N 1 ATOM 2743 C CA . THR A 1 340 ? -6.905 -12.032 22.876 1.00 22.04 ? 341 THR A CA 1 ATOM 2744 C C . THR A 1 340 ? -8.121 -12.104 23.783 1.00 22.51 ? 341 THR A C 1 ATOM 2745 O O . THR A 1 340 ? -7.973 -12.404 24.969 1.00 22.18 ? 341 THR A O 1 ATOM 2746 C CB . THR A 1 340 ? -5.969 -10.975 23.435 1.00 22.01 ? 341 THR A CB 1 ATOM 2747 O OG1 . THR A 1 340 ? -6.505 -9.667 23.176 1.00 23.22 ? 341 THR A OG1 1 ATOM 2748 C CG2 . THR A 1 340 ? -4.613 -11.012 22.699 1.00 22.65 ? 341 THR A CG2 1 ATOM 2749 N N . PHE A 1 341 ? -9.315 -11.827 23.270 1.00 21.51 ? 342 PHE A N 1 ATOM 2750 C CA . PHE A 1 341 ? -10.500 -11.849 24.120 1.00 21.43 ? 342 PHE A CA 1 ATOM 2751 C C . PHE A 1 341 ? -11.338 -13.110 24.070 1.00 22.48 ? 342 PHE A C 1 ATOM 2752 O O . PHE A 1 341 ? -12.088 -13.375 25.005 1.00 22.84 ? 342 PHE A O 1 ATOM 2753 C CB . PHE A 1 341 ? -11.428 -10.684 23.753 1.00 21.14 ? 342 PHE A CB 1 ATOM 2754 C CG . PHE A 1 341 ? -10.961 -9.360 24.238 1.00 20.95 ? 342 PHE A CG 1 ATOM 2755 C CD1 . PHE A 1 341 ? -9.943 -8.690 23.586 1.00 20.94 ? 342 PHE A CD1 1 ATOM 2756 C CD2 . PHE A 1 341 ? -11.556 -8.766 25.337 1.00 21.62 ? 342 PHE A CD2 1 ATOM 2757 C CE1 . PHE A 1 341 ? -9.516 -7.446 24.037 1.00 23.40 ? 342 PHE A CE1 1 ATOM 2758 C CE2 . PHE A 1 341 ? -11.137 -7.539 25.790 1.00 23.75 ? 342 PHE A CE2 1 ATOM 2759 C CZ . PHE A 1 341 ? -10.117 -6.874 25.140 1.00 21.27 ? 342 PHE A CZ 1 ATOM 2760 N N . CYS A 1 342 ? -11.220 -13.873 22.991 1.00 22.50 ? 343 CYS A N 1 ATOM 2761 C CA . CYS A 1 342 ? -12.190 -14.934 22.739 1.00 23.90 ? 343 CYS A CA 1 ATOM 2762 C C . CYS A 1 342 ? -11.696 -16.351 23.028 1.00 25.68 ? 343 CYS A C 1 ATOM 2763 O O . CYS A 1 342 ? -12.382 -17.332 22.730 1.00 26.29 ? 343 CYS A O 1 ATOM 2764 C CB . CYS A 1 342 ? -12.754 -14.785 21.325 1.00 23.49 ? 343 CYS A CB 1 ATOM 2765 S SG . CYS A 1 342 ? -13.624 -13.201 21.118 1.00 21.80 ? 343 CYS A SG 1 ATOM 2766 N N . GLY A 1 343 ? -10.506 -16.416 23.645 1.00 28.22 ? 344 GLY A N 1 ATOM 2767 C CA . GLY A 1 343 ? -9.912 -17.656 24.147 1.00 30.15 ? 344 GLY A CA 1 ATOM 2768 C C . GLY A 1 343 ? -9.468 -18.647 23.089 1.00 31.85 ? 344 GLY A C 1 ATOM 2769 O O . GLY A 1 343 ? -9.337 -19.844 23.366 1.00 32.51 ? 344 GLY A O 1 ATOM 2770 N N . GLN A 1 344 ? -9.195 -18.159 21.907 1.00 32.52 ? 345 GLN A N 1 ATOM 2771 C CA . GLN A 1 344 ? -8.710 -19.056 20.846 1.00 34.11 ? 345 GLN A CA 1 ATOM 2772 C C . GLN A 1 344 ? -7.349 -18.651 20.301 1.00 33.66 ? 345 GLN A C 1 ATOM 2773 O O . GLN A 1 344 ? -6.780 -19.347 19.449 1.00 34.72 ? 345 GLN A O 1 ATOM 2774 C CB . GLN A 1 344 ? -9.689 -19.112 19.680 1.00 34.16 ? 345 GLN A CB 1 ATOM 2775 C CG . GLN A 1 344 ? -10.952 -19.791 20.180 1.00 38.14 ? 345 GLN A CG 1 ATOM 2776 C CD . GLN A 1 344 ? -11.980 -20.143 19.106 1.00 40.93 ? 345 GLN A CD 1 ATOM 2777 O OE1 . GLN A 1 344 ? -13.148 -19.728 19.180 1.00 42.68 ? 345 GLN A OE1 1 ATOM 2778 N NE2 . GLN A 1 344 ? -11.758 -20.890 18.026 1.00 43.72 ? 345 GLN A NE2 1 ATOM 2779 N N . ASN A 1 345 ? -6.815 -17.518 20.764 1.00 33.50 ? 346 ASN A N 1 ATOM 2780 C CA . ASN A 1 345 ? -5.500 -16.964 20.249 1.00 33.00 ? 346 ASN A CA 1 ATOM 2781 C C . ASN A 1 345 ? -5.526 -16.937 18.717 1.00 31.65 ? 346 ASN A C 1 ATOM 2782 O O . ASN A 1 345 ? -4.650 -17.467 18.031 1.00 31.41 ? 346 ASN A O 1 ATOM 2783 C CB . ASN A 1 345 ? -4.276 -17.806 20.715 1.00 34.45 ? 346 ASN A CB 1 ATOM 2784 C CG . ASN A 1 345 ? -2.961 -17.038 20.641 1.00 36.86 ? 346 ASN A CG 1 ATOM 2785 O OD1 . ASN A 1 345 ? -2.866 -15.912 21.096 1.00 41.62 ? 346 ASN A OD1 1 ATOM 2786 N ND2 . ASN A 1 345 ? -1.946 -17.669 20.053 1.00 41.10 ? 346 ASN A ND2 1 ATOM 2787 N N . LEU A 1 346 ? -6.570 -16.303 18.225 1.00 28.99 ? 347 LEU A N 1 ATOM 2788 C CA . LEU A 1 346 ? -6.844 -16.204 16.827 1.00 26.76 ? 347 LEU A CA 1 ATOM 2789 C C . LEU A 1 346 ? -7.330 -14.795 16.483 1.00 23.27 ? 347 LEU A C 1 ATOM 2790 O O . LEU A 1 346 ? -8.361 -14.368 16.993 1.00 22.16 ? 347 LEU A O 1 ATOM 2791 C CB . LEU A 1 346 ? -7.938 -17.211 16.436 1.00 27.63 ? 347 LEU A CB 1 ATOM 2792 C CG . LEU A 1 346 ? -8.531 -17.138 15.025 1.00 31.14 ? 347 LEU A CG 1 ATOM 2793 C CD1 . LEU A 1 346 ? -7.490 -17.561 13.998 1.00 33.73 ? 347 LEU A CD1 1 ATOM 2794 C CD2 . LEU A 1 346 ? -9.780 -17.984 14.920 1.00 33.75 ? 347 LEU A CD2 1 ATOM 2795 N N . THR A 1 347 ? -6.609 -14.063 15.649 1.00 20.80 ? 348 THR A N 1 ATOM 2796 C CA . THR A 1 347 ? -7.142 -12.743 15.293 1.00 18.48 ? 348 THR A CA 1 ATOM 2797 C C . THR A 1 347 ? -8.342 -12.854 14.356 1.00 16.72 ? 348 THR A C 1 ATOM 2798 O O . THR A 1 347 ? -8.422 -13.751 13.517 1.00 17.04 ? 348 THR A O 1 ATOM 2799 C CB . THR A 1 347 ? -6.085 -11.838 14.648 1.00 18.51 ? 348 THR A CB 1 ATOM 2800 O OG1 . THR A 1 347 ? -5.596 -12.438 13.438 1.00 19.30 ? 348 THR A OG1 1 ATOM 2801 C CG2 . THR A 1 347 ? -4.882 -11.677 15.603 1.00 19.29 ? 348 THR A CG2 1 ATOM 2802 N N . PHE A 1 348 ? -9.260 -11.922 14.511 1.00 14.46 ? 349 PHE A N 1 ATOM 2803 C CA . PHE A 1 348 ? -10.468 -11.836 13.666 1.00 14.54 ? 349 PHE A CA 1 ATOM 2804 C C . PHE A 1 348 ? -11.228 -13.146 13.578 1.00 15.01 ? 349 PHE A C 1 ATOM 2805 O O . PHE A 1 348 ? -11.429 -13.686 12.497 1.00 15.22 ? 349 PHE A O 1 ATOM 2806 C CB . PHE A 1 348 ? -10.080 -11.384 12.256 1.00 14.29 ? 349 PHE A CB 1 ATOM 2807 C CG . PHE A 1 348 ? -9.449 -10.018 12.223 1.00 14.68 ? 349 PHE A CG 1 ATOM 2808 C CD1 . PHE A 1 348 ? -10.226 -8.867 12.335 1.00 14.46 ? 349 PHE A CD1 1 ATOM 2809 C CD2 . PHE A 1 348 ? -8.080 -9.883 12.072 1.00 13.71 ? 349 PHE A CD2 1 ATOM 2810 C CE1 . PHE A 1 348 ? -9.640 -7.560 12.331 1.00 14.70 ? 349 PHE A CE1 1 ATOM 2811 C CE2 . PHE A 1 348 ? -7.500 -8.603 12.042 1.00 14.36 ? 349 PHE A CE2 1 ATOM 2812 C CZ . PHE A 1 348 ? -8.285 -7.440 12.191 1.00 13.87 ? 349 PHE A CZ 1 ATOM 2813 N N . PRO A 1 349 ? -11.656 -13.671 14.713 1.00 15.40 ? 350 PRO A N 1 ATOM 2814 C CA . PRO A 1 349 ? -12.314 -14.980 14.699 1.00 15.95 ? 350 PRO A CA 1 ATOM 2815 C C . PRO A 1 349 ? -13.589 -15.001 13.843 1.00 15.67 ? 350 PRO A C 1 ATOM 2816 O O . PRO A 1 349 ? -13.821 -15.985 13.125 1.00 15.80 ? 350 PRO A O 1 ATOM 2817 C CB . PRO A 1 349 ? -12.611 -15.224 16.196 1.00 15.70 ? 350 PRO A CB 1 ATOM 2818 C CG . PRO A 1 349 ? -12.675 -13.812 16.780 1.00 15.66 ? 350 PRO A CG 1 ATOM 2819 C CD . PRO A 1 349 ? -11.509 -13.130 16.079 1.00 16.08 ? 350 PRO A CD 1 ATOM 2820 N N . LEU A 1 350 ? -14.413 -13.954 13.902 1.00 14.68 ? 351 LEU A N 1 ATOM 2821 C CA . LEU A 1 350 ? -15.655 -13.962 13.106 1.00 13.39 ? 351 LEU A CA 1 ATOM 2822 C C . LEU A 1 350 ? -15.375 -13.781 11.623 1.00 13.49 ? 351 LEU A C 1 ATOM 2823 O O . LEU A 1 350 ? -15.912 -14.504 10.774 1.00 14.13 ? 351 LEU A O 1 ATOM 2824 C CB . LEU A 1 350 ? -16.650 -12.895 13.603 1.00 13.72 ? 351 LEU A CB 1 ATOM 2825 C CG . LEU A 1 350 ? -17.184 -13.127 15.032 1.00 14.09 ? 351 LEU A CG 1 ATOM 2826 C CD1 . LEU A 1 350 ? -18.298 -12.127 15.324 1.00 14.70 ? 351 LEU A CD1 1 ATOM 2827 C CD2 . LEU A 1 350 ? -17.691 -14.573 15.210 1.00 16.92 ? 351 LEU A CD2 1 ATOM 2828 N N . THR A 1 351 ? -14.528 -12.801 11.301 1.00 12.44 ? 352 THR A N 1 ATOM 2829 C CA . THR A 1 351 ? -14.260 -12.541 9.903 1.00 12.91 ? 352 THR A CA 1 ATOM 2830 C C . THR A 1 351 ? -13.519 -13.714 9.278 1.00 12.70 ? 352 THR A C 1 ATOM 2831 O O . THR A 1 351 ? -13.799 -14.075 8.106 1.00 13.22 ? 352 THR A O 1 ATOM 2832 C CB . THR A 1 351 ? -13.454 -11.244 9.781 1.00 13.03 ? 352 THR A CB 1 ATOM 2833 O OG1 . THR A 1 351 ? -14.194 -10.181 10.414 1.00 12.98 ? 352 THR A OG1 1 ATOM 2834 C CG2 . THR A 1 351 ? -13.323 -10.853 8.288 1.00 12.28 ? 352 THR A CG2 1 ATOM 2835 N N . SER A 1 352 ? -12.596 -14.308 10.037 1.00 13.64 ? 353 SER A N 1 ATOM 2836 C CA . SER A 1 352 ? -11.851 -15.480 9.536 1.00 14.39 ? 353 SER A CA 1 ATOM 2837 C C . SER A 1 352 ? -12.794 -16.682 9.316 1.00 13.82 ? 353 SER A C 1 ATOM 2838 O O . SER A 1 352 ? -12.628 -17.453 8.364 1.00 14.76 ? 353 SER A O 1 ATOM 2839 C CB . SER A 1 352 ? -10.731 -15.890 10.500 1.00 16.56 ? 353 SER A CB 1 ATOM 2840 O OG . SER A 1 352 ? -9.802 -14.843 10.659 1.00 21.37 ? 353 SER A OG 1 ATOM 2841 N N . ALA A 1 353 ? -13.782 -16.849 10.199 1.00 14.24 ? 354 ALA A N 1 ATOM 2842 C CA . ALA A 1 353 ? -14.751 -17.926 10.009 1.00 13.26 ? 354 ALA A CA 1 ATOM 2843 C C . ALA A 1 353 ? -15.514 -17.791 8.696 1.00 13.23 ? 354 ALA A C 1 ATOM 2844 O O . ALA A 1 353 ? -15.713 -18.769 7.969 1.00 14.70 ? 354 ALA A O 1 ATOM 2845 C CB . ALA A 1 353 ? -15.720 -18.006 11.214 1.00 12.82 ? 354 ALA A CB 1 ATOM 2846 N N . VAL A 1 354 ? -15.939 -16.571 8.393 1.00 13.46 ? 355 VAL A N 1 ATOM 2847 C CA . VAL A 1 354 ? -16.603 -16.306 7.124 1.00 12.99 ? 355 VAL A CA 1 ATOM 2848 C C . VAL A 1 354 ? -15.656 -16.609 5.938 1.00 13.25 ? 355 VAL A C 1 ATOM 2849 O O . VAL A 1 354 ? -16.033 -17.297 4.987 1.00 12.74 ? 355 VAL A O 1 ATOM 2850 C CB . VAL A 1 354 ? -17.092 -14.849 7.054 1.00 12.99 ? 355 VAL A CB 1 ATOM 2851 C CG1 . VAL A 1 354 ? -17.632 -14.524 5.646 1.00 13.25 ? 355 VAL A CG1 1 ATOM 2852 C CG2 . VAL A 1 354 ? -18.170 -14.618 8.137 1.00 14.31 ? 355 VAL A CG2 1 ATOM 2853 N N . LYS A 1 355 ? -14.434 -16.084 6.011 1.00 13.91 ? 356 LYS A N 1 ATOM 2854 C CA . LYS A 1 355 ? -13.435 -16.304 4.957 1.00 13.75 ? 356 LYS A CA 1 ATOM 2855 C C . LYS A 1 355 ? -13.247 -17.794 4.689 1.00 14.73 ? 356 LYS A C 1 ATOM 2856 O O . LYS A 1 355 ? -13.209 -18.229 3.540 1.00 14.24 ? 356 LYS A O 1 ATOM 2857 C CB . LYS A 1 355 ? -12.093 -15.700 5.383 1.00 14.95 ? 356 LYS A CB 1 ATOM 2858 C CG . LYS A 1 355 ? -10.934 -15.934 4.417 1.00 15.28 ? 356 LYS A CG 1 ATOM 2859 C CD . LYS A 1 355 ? -9.661 -15.336 5.016 1.00 18.40 ? 356 LYS A CD 1 ATOM 2860 C CE . LYS A 1 355 ? -8.421 -15.614 4.186 1.00 19.98 ? 356 LYS A CE 1 ATOM 2861 N NZ . LYS A 1 355 ? -8.565 -15.268 2.754 1.00 24.44 ? 356 LYS A NZ 1 ATOM 2862 N N . ASP A 1 356 ? -13.160 -18.568 5.760 1.00 15.45 ? 357 ASP A N 1 ATOM 2863 C CA . ASP A 1 356 ? -12.874 -20.001 5.588 1.00 14.94 ? 357 ASP A CA 1 ATOM 2864 C C . ASP A 1 356 ? -14.024 -20.715 4.904 1.00 15.11 ? 357 ASP A C 1 ATOM 2865 O O . ASP A 1 356 ? -13.824 -21.559 4.016 1.00 15.80 ? 357 ASP A O 1 ATOM 2866 C CB . ASP A 1 356 ? -12.530 -20.667 6.917 1.00 16.28 ? 357 ASP A CB 1 ATOM 2867 C CG . ASP A 1 356 ? -11.182 -20.232 7.456 1.00 18.09 ? 357 ASP A CG 1 ATOM 2868 O OD1 . ASP A 1 356 ? -10.357 -19.623 6.718 1.00 20.93 ? 357 ASP A OD1 1 ATOM 2869 O OD2 . ASP A 1 356 ? -10.865 -20.472 8.626 1.00 22.70 ? 357 ASP A OD2 1 ATOM 2870 N N . VAL A 1 357 ? -15.244 -20.334 5.252 1.00 13.88 ? 358 VAL A N 1 ATOM 2871 C CA . VAL A 1 357 ? -16.396 -20.950 4.611 1.00 15.06 ? 358 VAL A CA 1 ATOM 2872 C C . VAL A 1 357 ? -16.484 -20.521 3.153 1.00 14.90 ? 358 VAL A C 1 ATOM 2873 O O . VAL A 1 357 ? -16.772 -21.344 2.295 1.00 15.78 ? 358 VAL A O 1 ATOM 2874 C CB . VAL A 1 357 ? -17.703 -20.626 5.378 1.00 14.55 ? 358 VAL A CB 1 ATOM 2875 C CG1 . VAL A 1 357 ? -18.921 -21.018 4.561 1.00 15.60 ? 358 VAL A CG1 1 ATOM 2876 C CG2 . VAL A 1 357 ? -17.736 -21.376 6.694 1.00 17.25 ? 358 VAL A CG2 1 ATOM 2877 N N . LEU A 1 358 ? -16.235 -19.246 2.846 1.00 14.52 ? 359 LEU A N 1 ATOM 2878 C CA . LEU A 1 358 ? -16.310 -18.816 1.456 1.00 14.89 ? 359 LEU A CA 1 ATOM 2879 C C . LEU A 1 358 ? -15.344 -19.647 0.586 1.00 16.80 ? 359 LEU A C 1 ATOM 2880 O O . LEU A 1 358 ? -15.650 -19.945 -0.568 1.00 17.68 ? 359 LEU A O 1 ATOM 2881 C CB . LEU A 1 358 ? -15.934 -17.341 1.349 1.00 14.18 ? 359 LEU A CB 1 ATOM 2882 C CG . LEU A 1 358 ? -17.000 -16.409 1.942 1.00 15.02 ? 359 LEU A CG 1 ATOM 2883 C CD1 . LEU A 1 358 ? -16.500 -14.971 1.813 1.00 17.02 ? 359 LEU A CD1 1 ATOM 2884 C CD2 . LEU A 1 358 ? -18.418 -16.607 1.328 1.00 14.52 ? 359 LEU A CD2 1 ATOM 2885 N N . ALA A 1 359 ? -14.208 -20.051 1.142 1.00 17.62 ? 360 ALA A N 1 ATOM 2886 C CA . ALA A 1 359 ? -13.235 -20.830 0.379 1.00 19.32 ? 360 ALA A CA 1 ATOM 2887 C C . ALA A 1 359 ? -13.610 -22.289 0.180 1.00 21.26 ? 360 ALA A C 1 ATOM 2888 O O . ALA A 1 359 ? -13.068 -22.981 -0.688 1.00 21.21 ? 360 ALA A O 1 ATOM 2889 C CB . ALA A 1 359 ? -11.840 -20.737 1.043 1.00 19.30 ? 360 ALA A CB 1 ATOM 2890 N N . GLU A 1 360 ? -14.519 -22.769 1.005 1.00 22.38 ? 361 GLU A N 1 ATOM 2891 C CA . GLU A 1 360 ? -14.953 -24.143 0.898 1.00 25.01 ? 361 GLU A CA 1 ATOM 2892 C C . GLU A 1 360 ? -15.770 -24.429 -0.330 1.00 26.84 ? 361 GLU A C 1 ATOM 2893 O O . GLU A 1 360 ? -16.509 -23.580 -0.840 1.00 27.97 ? 361 GLU A O 1 ATOM 2894 C CB . GLU A 1 360 ? -15.866 -24.498 2.065 1.00 24.76 ? 361 GLU A CB 1 ATOM 2895 C CG . GLU A 1 360 ? -15.127 -24.713 3.349 1.00 25.85 ? 361 GLU A CG 1 ATOM 2896 C CD . GLU A 1 360 ? -16.036 -24.886 4.549 1.00 28.55 ? 361 GLU A CD 1 ATOM 2897 O OE1 . GLU A 1 360 ? -17.259 -25.050 4.383 1.00 30.66 ? 361 GLU A OE1 1 ATOM 2898 O OE2 . GLU A 1 360 ? -15.494 -24.841 5.668 1.00 30.83 ? 361 GLU A OE2 1 ATOM 2899 N N . ALA A 1 361 ? -15.634 -25.664 -0.786 1.00 29.15 ? 362 ALA A N 1 ATOM 2900 C CA . ALA A 1 361 ? -16.601 -26.253 -1.699 1.00 32.33 ? 362 ALA A CA 1 ATOM 2901 C C . ALA A 1 361 ? -16.335 -27.738 -1.904 1.00 33.50 ? 362 ALA A C 1 ATOM 2902 O O . ALA A 1 361 ? -15.189 -28.184 -2.055 1.00 34.53 ? 362 ALA A O 1 ATOM 2903 C CB . ALA A 1 361 ? -16.586 -25.522 -3.031 1.00 33.07 ? 362 ALA A CB 1 HETATM 2904 C C1 . NAG B 2 . ? -17.803 18.151 7.293 1.00 25.02 ? 363 NAG A C1 1 HETATM 2905 C C2 . NAG B 2 . ? -16.985 18.810 8.402 1.00 30.35 ? 363 NAG A C2 1 HETATM 2906 C C3 . NAG B 2 . ? -17.662 20.063 8.986 1.00 32.82 ? 363 NAG A C3 1 HETATM 2907 C C4 . NAG B 2 . ? -18.314 20.945 7.917 1.00 34.96 ? 363 NAG A C4 1 HETATM 2908 C C5 . NAG B 2 . ? -19.043 20.072 6.900 1.00 30.21 ? 363 NAG A C5 1 HETATM 2909 C C6 . NAG B 2 . ? -19.593 20.864 5.727 1.00 29.10 ? 363 NAG A C6 1 HETATM 2910 C C7 . NAG B 2 . ? -15.638 17.379 9.803 1.00 35.67 ? 363 NAG A C7 1 HETATM 2911 C C8 . NAG B 2 . ? -15.628 16.415 10.958 1.00 35.47 ? 363 NAG A C8 1 HETATM 2912 N N2 . NAG B 2 . ? -16.815 17.878 9.494 1.00 33.54 ? 363 NAG A N2 1 HETATM 2913 O O3 . NAG B 2 . ? -16.701 20.793 9.746 1.00 34.74 ? 363 NAG A O3 1 HETATM 2914 O O4 . NAG B 2 . ? -19.246 21.828 8.530 1.00 40.63 ? 363 NAG A O4 1 HETATM 2915 O O5 . NAG B 2 . ? -18.119 19.146 6.356 1.00 25.29 ? 363 NAG A O5 1 HETATM 2916 O O6 . NAG B 2 . ? -18.532 21.616 5.201 1.00 35.15 ? 363 NAG A O6 1 HETATM 2917 O O7 . NAG B 2 . ? -14.608 17.669 9.188 1.00 39.08 ? 363 NAG A O7 1 HETATM 2918 C C1 . NAG C 2 . ? -18.968 23.212 8.224 1.00 48.76 ? 364 NAG A C1 1 HETATM 2919 C C2 . NAG C 2 . ? -20.232 24.064 8.375 1.00 51.87 ? 364 NAG A C2 1 HETATM 2920 C C3 . NAG C 2 . ? -19.946 25.535 8.089 1.00 56.04 ? 364 NAG A C3 1 HETATM 2921 C C4 . NAG C 2 . ? -18.731 26.032 8.866 1.00 58.63 ? 364 NAG A C4 1 HETATM 2922 C C5 . NAG C 2 . ? -17.571 25.059 8.670 1.00 56.35 ? 364 NAG A C5 1 HETATM 2923 C C6 . NAG C 2 . ? -16.354 25.488 9.482 1.00 56.45 ? 364 NAG A C6 1 HETATM 2924 C C7 . NAG C 2 . ? -22.333 22.952 7.837 1.00 53.20 ? 364 NAG A C7 1 HETATM 2925 C C8 . NAG C 2 . ? -23.406 22.753 6.804 1.00 53.36 ? 364 NAG A C8 1 HETATM 2926 N N2 . NAG C 2 . ? -21.269 23.648 7.451 1.00 52.06 ? 364 NAG A N2 1 HETATM 2927 O O3 . NAG C 2 . ? -21.097 26.301 8.384 1.00 56.10 ? 364 NAG A O3 1 HETATM 2928 O O4 . NAG C 2 . ? -18.334 27.299 8.372 1.00 66.17 ? 364 NAG A O4 1 HETATM 2929 O O5 . NAG C 2 . ? -17.943 23.742 9.033 1.00 52.06 ? 364 NAG A O5 1 HETATM 2930 O O6 . NAG C 2 . ? -16.649 25.380 10.855 1.00 56.63 ? 364 NAG A O6 1 HETATM 2931 O O7 . NAG C 2 . ? -22.452 22.482 8.969 1.00 53.72 ? 364 NAG A O7 1 HETATM 2932 C C1 . MAN D 3 . ? -18.962 28.373 9.106 1.00 72.36 ? 365 MAN A C1 1 HETATM 2933 C C2 . MAN D 3 . ? -18.283 28.576 10.459 1.00 74.65 ? 365 MAN A C2 1 HETATM 2934 C C3 . MAN D 3 . ? -18.927 29.739 11.214 1.00 76.51 ? 365 MAN A C3 1 HETATM 2935 C C4 . MAN D 3 . ? -18.915 30.983 10.329 1.00 78.08 ? 365 MAN A C4 1 HETATM 2936 C C5 . MAN D 3 . ? -19.666 30.611 9.045 1.00 78.05 ? 365 MAN A C5 1 HETATM 2937 C C6 . MAN D 3 . ? -19.916 31.756 8.062 1.00 79.98 ? 365 MAN A C6 1 HETATM 2938 O O2 . MAN D 3 . ? -16.900 28.809 10.259 1.00 75.03 ? 365 MAN A O2 1 HETATM 2939 O O3 . MAN D 3 . ? -18.261 29.959 12.440 1.00 77.06 ? 365 MAN A O3 1 HETATM 2940 O O4 . MAN D 3 . ? -19.502 32.084 11.000 1.00 80.14 ? 365 MAN A O4 1 HETATM 2941 O O5 . MAN D 3 . ? -18.955 29.585 8.380 1.00 75.25 ? 365 MAN A O5 1 HETATM 2942 O O6 . MAN D 3 . ? -21.232 31.592 7.564 1.00 82.32 ? 365 MAN A O6 1 HETATM 2943 C C1 . MAN E 3 . ? -21.556 32.544 6.524 1.00 83.70 ? 366 MAN A C1 1 HETATM 2944 C C2 . MAN E 3 . ? -21.490 33.985 7.034 1.00 84.02 ? 366 MAN A C2 1 HETATM 2945 C C3 . MAN E 3 . ? -22.667 34.321 7.956 1.00 84.44 ? 366 MAN A C3 1 HETATM 2946 C C4 . MAN E 3 . ? -24.002 33.826 7.396 1.00 84.64 ? 366 MAN A C4 1 HETATM 2947 C C5 . MAN E 3 . ? -23.892 32.394 6.869 1.00 84.64 ? 366 MAN A C5 1 HETATM 2948 C C6 . MAN E 3 . ? -25.193 31.945 6.203 1.00 84.88 ? 366 MAN A C6 1 HETATM 2949 O O2 . MAN E 3 . ? -21.458 34.867 5.931 1.00 83.74 ? 366 MAN A O2 1 HETATM 2950 O O3 . MAN E 3 . ? -22.730 35.717 8.179 1.00 84.40 ? 366 MAN A O3 1 HETATM 2951 O O4 . MAN E 3 . ? -24.990 33.893 8.406 1.00 84.52 ? 366 MAN A O4 1 HETATM 2952 O O5 . MAN E 3 . ? -22.825 32.299 5.942 1.00 84.27 ? 366 MAN A O5 1 HETATM 2953 O O6 . MAN E 3 . ? -25.759 30.867 6.920 1.00 84.97 ? 366 MAN A O6 1 HETATM 2954 C C1 . MAN F 3 . ? -18.493 32.847 11.717 1.00 82.04 ? 367 MAN A C1 1 HETATM 2955 C C2 . MAN F 3 . ? -19.139 34.028 12.450 1.00 82.56 ? 367 MAN A C2 1 HETATM 2956 C C3 . MAN F 3 . ? -18.085 34.949 13.071 1.00 83.13 ? 367 MAN A C3 1 HETATM 2957 C C4 . MAN F 3 . ? -16.703 34.305 13.012 1.00 83.27 ? 367 MAN A C4 1 HETATM 2958 C C5 . MAN F 3 . ? -16.340 33.915 11.577 1.00 83.34 ? 367 MAN A C5 1 HETATM 2959 C C6 . MAN F 3 . ? -15.099 33.021 11.539 1.00 83.40 ? 367 MAN A C6 1 HETATM 2960 O O2 . MAN F 3 . ? -20.021 33.548 13.444 1.00 82.38 ? 367 MAN A O2 1 HETATM 2961 O O3 . MAN F 3 . ? -18.403 35.255 14.414 1.00 83.42 ? 367 MAN A O3 1 HETATM 2962 O O4 . MAN F 3 . ? -15.745 35.211 13.518 1.00 83.22 ? 367 MAN A O4 1 HETATM 2963 O O5 . MAN F 3 . ? -17.423 33.292 10.895 1.00 82.88 ? 367 MAN A O5 1 HETATM 2964 O O6 . MAN F 3 . ? -15.430 31.707 11.934 1.00 83.47 ? 367 MAN A O6 1 HETATM 2965 C C1 . MPD G 4 . ? -27.346 -0.458 10.880 1.00 38.79 ? 1001 MPD A C1 1 HETATM 2966 C C2 . MPD G 4 . ? -26.027 0.315 10.895 1.00 36.40 ? 1001 MPD A C2 1 HETATM 2967 O O2 . MPD G 4 . ? -26.299 1.630 11.445 1.00 38.94 ? 1001 MPD A O2 1 HETATM 2968 C CM . MPD G 4 . ? -25.067 -0.391 11.864 1.00 38.31 ? 1001 MPD A CM 1 HETATM 2969 C C3 . MPD G 4 . ? -25.512 0.496 9.457 1.00 34.91 ? 1001 MPD A C3 1 HETATM 2970 C C4 . MPD G 4 . ? -23.996 0.614 9.320 1.00 32.15 ? 1001 MPD A C4 1 HETATM 2971 O O4 . MPD G 4 . ? -23.432 -0.648 9.576 1.00 29.03 ? 1001 MPD A O4 1 HETATM 2972 C C5 . MPD G 4 . ? -23.566 1.077 7.934 1.00 31.77 ? 1001 MPD A C5 1 HETATM 2973 C C1 . MPD H 4 . ? -21.264 2.855 17.875 1.00 22.30 ? 1002 MPD A C1 1 HETATM 2974 C C2 . MPD H 4 . ? -19.916 2.133 17.780 1.00 21.41 ? 1002 MPD A C2 1 HETATM 2975 O O2 . MPD H 4 . ? -18.940 3.136 17.414 1.00 20.07 ? 1002 MPD A O2 1 HETATM 2976 C CM . MPD H 4 . ? -19.535 1.584 19.158 1.00 20.93 ? 1002 MPD A CM 1 HETATM 2977 C C3 . MPD H 4 . ? -19.914 0.999 16.756 1.00 22.42 ? 1002 MPD A C3 1 HETATM 2978 C C4 . MPD H 4 . ? -20.353 1.422 15.344 1.00 21.72 ? 1002 MPD A C4 1 HETATM 2979 O O4 . MPD H 4 . ? -19.543 0.780 14.372 1.00 18.72 ? 1002 MPD A O4 1 HETATM 2980 C C5 . MPD H 4 . ? -21.802 1.037 15.084 1.00 23.22 ? 1002 MPD A C5 1 HETATM 2981 C C1 . EOH I 5 . ? -10.887 -3.648 -9.654 1.00 31.27 ? 3012 EOH A C1 1 HETATM 2982 C C2 . EOH I 5 . ? -11.503 -4.769 -8.793 1.00 29.60 ? 3012 EOH A C2 1 HETATM 2983 O O . EOH I 5 . ? -10.200 -2.672 -8.887 1.00 31.42 ? 3012 EOH A O 1 HETATM 2984 C C1 . EOH J 5 . ? -7.003 -10.425 -2.051 1.00 27.78 ? 3013 EOH A C1 1 HETATM 2985 C C2 . EOH J 5 . ? -8.123 -10.822 -3.031 1.00 28.93 ? 3013 EOH A C2 1 HETATM 2986 O O . EOH J 5 . ? -7.408 -10.518 -0.700 1.00 30.00 ? 3013 EOH A O 1 HETATM 2987 C C1 . EOH K 5 . ? -9.484 -14.289 -2.266 1.00 53.08 ? 3014 EOH A C1 1 HETATM 2988 C C2 . EOH K 5 . ? -8.702 -14.802 -1.063 1.00 52.94 ? 3014 EOH A C2 1 HETATM 2989 O O . EOH K 5 . ? -10.489 -15.196 -2.664 1.00 53.30 ? 3014 EOH A O 1 HETATM 2990 O O . HOH L 6 . ? -24.872 -9.722 16.045 1.00 13.44 ? 3015 HOH A O 1 HETATM 2991 O O . HOH L 6 . ? -24.215 -2.179 25.303 1.00 16.18 ? 3016 HOH A O 1 HETATM 2992 O O . HOH L 6 . ? -30.899 -2.638 7.331 1.00 13.83 ? 3017 HOH A O 1 HETATM 2993 O O . HOH L 6 . ? -7.666 -7.749 4.307 1.00 13.86 ? 3018 HOH A O 1 HETATM 2994 O O . HOH L 6 . ? -20.493 -1.631 0.754 1.00 17.03 ? 3019 HOH A O 1 HETATM 2995 O O . HOH L 6 . ? -20.843 -0.096 24.189 1.00 16.25 ? 3020 HOH A O 1 HETATM 2996 O O . HOH L 6 . ? -1.316 13.007 10.967 1.00 17.37 ? 3021 HOH A O 1 HETATM 2997 O O . HOH L 6 . ? -25.959 9.360 5.449 1.00 20.48 ? 3022 HOH A O 1 HETATM 2998 O O . HOH L 6 . ? -26.457 -10.936 9.195 1.00 15.89 ? 3023 HOH A O 1 HETATM 2999 O O . HOH L 6 . ? -12.034 5.204 -12.795 1.00 16.46 ? 3024 HOH A O 1 HETATM 3000 O O . HOH L 6 . ? -16.921 0.831 14.927 1.00 15.46 ? 3025 HOH A O 1 HETATM 3001 O O . HOH L 6 . ? -30.912 -0.105 8.584 1.00 17.41 ? 3026 HOH A O 1 HETATM 3002 O O . HOH L 6 . ? -12.357 9.819 5.864 1.00 18.39 ? 3027 HOH A O 1 HETATM 3003 O O . HOH L 6 . ? -21.290 -10.684 17.500 1.00 19.87 ? 3028 HOH A O 1 HETATM 3004 O O . HOH L 6 . ? -26.891 -17.783 11.121 1.00 17.49 ? 3029 HOH A O 1 HETATM 3005 O O . HOH L 6 . ? -12.386 -1.535 18.860 1.00 14.94 ? 3030 HOH A O 1 HETATM 3006 O O . HOH L 6 . ? -31.798 -4.848 8.877 1.00 16.53 ? 3031 HOH A O 1 HETATM 3007 O O . HOH L 6 . ? -25.900 4.728 -0.142 1.00 15.77 ? 3032 HOH A O 1 HETATM 3008 O O . HOH L 6 . ? -9.593 -7.320 19.882 1.00 20.29 ? 3033 HOH A O 1 HETATM 3009 O O . HOH L 6 . ? -2.127 4.718 11.419 1.00 22.00 ? 3034 HOH A O 1 HETATM 3010 O O . HOH L 6 . ? -32.473 4.752 -6.343 1.00 15.78 ? 3035 HOH A O 1 HETATM 3011 O O . HOH L 6 . ? -19.714 -20.644 17.642 1.00 20.98 ? 3036 HOH A O 1 HETATM 3012 O O . HOH L 6 . ? -38.652 -11.675 -0.254 1.00 22.73 ? 3037 HOH A O 1 HETATM 3013 O O . HOH L 6 . ? -8.092 5.584 -23.219 1.00 17.26 ? 3038 HOH A O 1 HETATM 3014 O O . HOH L 6 . ? -10.259 0.059 -8.896 1.00 19.98 ? 3039 HOH A O 1 HETATM 3015 O O . HOH L 6 . ? -28.116 3.516 1.458 1.00 15.18 ? 3040 HOH A O 1 HETATM 3016 O O . HOH L 6 . ? -21.208 11.727 -14.944 1.00 20.55 ? 3041 HOH A O 1 HETATM 3017 O O . HOH L 6 . ? -13.496 3.569 -19.844 1.00 21.84 ? 3042 HOH A O 1 HETATM 3018 O O . HOH L 6 . ? -33.147 0.798 7.336 1.00 18.07 ? 3043 HOH A O 1 HETATM 3019 O O . HOH L 6 . ? -37.544 -0.614 6.885 1.00 20.63 ? 3044 HOH A O 1 HETATM 3020 O O . HOH L 6 . ? -16.037 9.033 10.084 1.00 18.23 ? 3045 HOH A O 1 HETATM 3021 O O . HOH L 6 . ? -24.526 -4.590 28.101 1.00 17.18 ? 3046 HOH A O 1 HETATM 3022 O O . HOH L 6 . ? -36.763 -6.712 5.127 1.00 23.37 ? 3047 HOH A O 1 HETATM 3023 O O . HOH L 6 . ? -2.245 9.305 13.914 1.00 20.35 ? 3048 HOH A O 1 HETATM 3024 O O . HOH L 6 . ? -33.118 9.277 -11.967 1.00 24.56 ? 3049 HOH A O 1 HETATM 3025 O O . HOH L 6 . ? -7.142 6.360 -15.109 1.00 25.80 ? 3050 HOH A O 1 HETATM 3026 O O . HOH L 6 . ? -10.885 3.273 -20.457 1.00 22.61 ? 3051 HOH A O 1 HETATM 3027 O O . HOH L 6 . ? -35.074 5.756 -10.070 1.00 22.02 ? 3052 HOH A O 1 HETATM 3028 O O . HOH L 6 . ? -25.762 -5.733 -13.369 1.00 22.83 ? 3053 HOH A O 1 HETATM 3029 O O . HOH L 6 . ? -20.224 -8.004 -7.118 1.00 21.41 ? 3054 HOH A O 1 HETATM 3030 O O . HOH L 6 . ? -4.508 -1.717 28.160 1.00 46.05 ? 3055 HOH A O 1 HETATM 3031 O O . HOH L 6 . ? -6.158 4.513 -6.923 1.00 17.62 ? 3056 HOH A O 1 HETATM 3032 O O . HOH L 6 . ? -28.493 22.645 -9.842 1.00 22.88 ? 3057 HOH A O 1 HETATM 3033 O O . HOH L 6 . ? -17.725 -4.420 28.860 1.00 19.80 ? 3058 HOH A O 1 HETATM 3034 O O . HOH L 6 . ? -3.925 5.968 -6.613 1.00 19.17 ? 3059 HOH A O 1 HETATM 3035 O O . HOH L 6 . ? -29.913 -16.816 -6.406 1.00 23.35 ? 3060 HOH A O 1 HETATM 3036 O O . HOH L 6 . ? -37.410 -9.307 31.308 1.00 26.12 ? 3061 HOH A O 1 HETATM 3037 O O . HOH L 6 . ? -15.634 19.490 -8.029 1.00 19.81 ? 3062 HOH A O 1 HETATM 3038 O O . HOH L 6 . ? -20.895 9.863 9.253 1.00 28.45 ? 3063 HOH A O 1 HETATM 3039 O O . HOH L 6 . ? -9.842 -5.311 21.545 1.00 21.13 ? 3064 HOH A O 1 HETATM 3040 O O . HOH L 6 . ? -32.185 -10.967 -9.554 1.00 23.24 ? 3065 HOH A O 1 HETATM 3041 O O . HOH L 6 . ? -40.520 -24.445 14.318 1.00 45.40 ? 3066 HOH A O 1 HETATM 3042 O O . HOH L 6 . ? -20.362 -3.665 29.938 1.00 20.02 ? 3067 HOH A O 1 HETATM 3043 O O . HOH L 6 . ? -0.486 11.187 13.344 1.00 23.43 ? 3068 HOH A O 1 HETATM 3044 O O . HOH L 6 . ? -31.137 -6.915 18.980 1.00 20.39 ? 3069 HOH A O 1 HETATM 3045 O O . HOH L 6 . ? -9.636 -17.891 1.762 1.00 22.92 ? 3070 HOH A O 1 HETATM 3046 O O . HOH L 6 . ? -1.229 6.702 13.231 1.00 22.67 ? 3071 HOH A O 1 HETATM 3047 O O . HOH L 6 . ? -26.121 -20.401 14.048 1.00 19.86 ? 3072 HOH A O 1 HETATM 3048 O O . HOH L 6 . ? -37.312 -15.972 0.955 1.00 19.45 ? 3073 HOH A O 1 HETATM 3049 O O . HOH L 6 . ? -12.861 9.440 8.969 1.00 25.43 ? 3074 HOH A O 1 HETATM 3050 O O . HOH L 6 . ? -13.052 13.699 -11.910 1.00 24.51 ? 3075 HOH A O 1 HETATM 3051 O O . HOH L 6 . ? -34.692 4.270 2.877 1.00 25.48 ? 3076 HOH A O 1 HETATM 3052 O O . HOH L 6 . ? -35.254 -0.871 8.325 1.00 21.68 ? 3077 HOH A O 1 HETATM 3053 O O . HOH L 6 . ? -5.325 8.935 17.528 1.00 21.91 ? 3078 HOH A O 1 HETATM 3054 O O . HOH L 6 . ? -38.620 -11.933 10.941 1.00 22.95 ? 3079 HOH A O 1 HETATM 3055 O O . HOH L 6 . ? -5.782 14.326 7.671 1.00 24.65 ? 3080 HOH A O 1 HETATM 3056 O O . HOH L 6 . ? -22.281 -23.129 11.416 1.00 24.42 ? 3081 HOH A O 1 HETATM 3057 O O . HOH L 6 . ? -36.941 -13.603 -4.702 1.00 21.85 ? 3082 HOH A O 1 HETATM 3058 O O . HOH L 6 . ? -16.126 0.162 -11.719 1.00 22.03 ? 3083 HOH A O 1 HETATM 3059 O O . HOH L 6 . ? -8.612 11.111 -11.127 1.00 23.35 ? 3084 HOH A O 1 HETATM 3060 O O . HOH L 6 . ? -21.202 20.041 0.898 1.00 26.66 ? 3085 HOH A O 1 HETATM 3061 O O . HOH L 6 . ? -3.034 9.406 2.240 1.00 24.48 ? 3086 HOH A O 1 HETATM 3062 O O . HOH L 6 . ? -34.373 3.254 7.818 1.00 23.02 ? 3087 HOH A O 1 HETATM 3063 O O . HOH L 6 . ? -38.178 -16.901 7.368 1.00 22.31 ? 3088 HOH A O 1 HETATM 3064 O O . HOH L 6 . ? -13.728 -5.938 -7.178 1.00 19.95 ? 3089 HOH A O 1 HETATM 3065 O O . HOH L 6 . ? -27.133 -21.901 5.911 1.00 19.55 ? 3090 HOH A O 1 HETATM 3066 O O . HOH L 6 . ? -36.510 -2.491 -8.720 1.00 27.86 ? 3091 HOH A O 1 HETATM 3067 O O . HOH L 6 . ? -2.846 6.937 1.127 1.00 25.76 ? 3092 HOH A O 1 HETATM 3068 O O . HOH L 6 . ? -14.538 5.015 -21.910 1.00 23.83 ? 3093 HOH A O 1 HETATM 3069 O O . HOH L 6 . ? -0.775 2.758 12.962 1.00 25.06 ? 3094 HOH A O 1 HETATM 3070 O O . HOH L 6 . ? -21.341 -18.172 21.305 1.00 21.12 ? 3095 HOH A O 1 HETATM 3071 O O . HOH L 6 . ? -37.870 10.142 -5.879 1.00 24.85 ? 3096 HOH A O 1 HETATM 3072 O O . HOH L 6 . ? -30.902 8.756 -13.675 1.00 28.54 ? 3097 HOH A O 1 HETATM 3073 O O . HOH L 6 . ? -32.385 11.384 2.825 1.00 22.22 ? 3098 HOH A O 1 HETATM 3074 O O . HOH L 6 . ? -22.773 -23.305 1.017 1.00 27.00 ? 3099 HOH A O 1 HETATM 3075 O O . HOH L 6 . ? -1.424 -5.416 9.192 1.00 26.37 ? 3100 HOH A O 1 HETATM 3076 O O . HOH L 6 . ? -4.602 -7.570 14.496 1.00 24.76 ? 3101 HOH A O 1 HETATM 3077 O O . HOH L 6 . ? -10.149 -14.659 19.059 1.00 26.91 ? 3102 HOH A O 1 HETATM 3078 O O . HOH L 6 . ? -24.738 -8.506 -13.120 1.00 22.75 ? 3103 HOH A O 1 HETATM 3079 O O . HOH L 6 . ? -8.889 -8.382 -3.490 1.00 24.12 ? 3104 HOH A O 1 HETATM 3080 O O . HOH L 6 . ? -8.292 1.919 -17.271 1.00 23.64 ? 3105 HOH A O 1 HETATM 3081 O O . HOH L 6 . ? -37.611 -15.130 5.290 1.00 21.21 ? 3106 HOH A O 1 HETATM 3082 O O . HOH L 6 . ? -31.471 1.195 29.571 1.00 32.78 ? 3107 HOH A O 1 HETATM 3083 O O . HOH L 6 . ? -39.629 9.507 2.978 1.00 27.33 ? 3108 HOH A O 1 HETATM 3084 O O . HOH L 6 . ? -5.072 -3.938 -5.454 1.00 28.47 ? 3109 HOH A O 1 HETATM 3085 O O . HOH L 6 . ? -18.202 -11.966 -6.296 1.00 25.62 ? 3110 HOH A O 1 HETATM 3086 O O . HOH L 6 . ? 0.847 6.634 7.580 1.00 26.57 ? 3111 HOH A O 1 HETATM 3087 O O . HOH L 6 . ? -12.144 -17.128 1.311 1.00 22.31 ? 3112 HOH A O 1 HETATM 3088 O O . HOH L 6 . ? -42.087 -9.943 -3.685 1.00 27.87 ? 3113 HOH A O 1 HETATM 3089 O O . HOH L 6 . ? -12.700 -18.467 13.099 1.00 25.95 ? 3114 HOH A O 1 HETATM 3090 O O . HOH L 6 . ? -33.707 19.891 -8.385 1.00 26.40 ? 3115 HOH A O 1 HETATM 3091 O O . HOH L 6 . ? -33.647 -17.690 27.951 1.00 34.36 ? 3116 HOH A O 1 HETATM 3092 O O . HOH L 6 . ? -39.704 -11.150 -2.871 1.00 19.88 ? 3117 HOH A O 1 HETATM 3093 O O . HOH L 6 . ? -18.887 12.050 -16.550 1.00 24.81 ? 3118 HOH A O 1 HETATM 3094 O O . HOH L 6 . ? -10.579 -13.031 1.727 1.00 21.78 ? 3119 HOH A O 1 HETATM 3095 O O . HOH L 6 . ? -11.079 16.266 -5.123 1.00 21.24 ? 3120 HOH A O 1 HETATM 3096 O O . HOH L 6 . ? -9.177 -19.572 4.072 1.00 20.14 ? 3121 HOH A O 1 HETATM 3097 O O . HOH L 6 . ? -18.698 -17.093 20.978 1.00 22.99 ? 3122 HOH A O 1 HETATM 3098 O O . HOH L 6 . ? -18.880 7.949 -19.106 1.00 22.69 ? 3123 HOH A O 1 HETATM 3099 O O . HOH L 6 . ? -40.263 -14.464 4.964 1.00 24.68 ? 3124 HOH A O 1 HETATM 3100 O O . HOH L 6 . ? -38.444 11.950 1.495 1.00 25.10 ? 3125 HOH A O 1 HETATM 3101 O O . HOH L 6 . ? -6.138 12.034 -10.413 1.00 26.92 ? 3126 HOH A O 1 HETATM 3102 O O . HOH L 6 . ? -39.242 -14.209 0.560 1.00 22.93 ? 3127 HOH A O 1 HETATM 3103 O O . HOH L 6 . ? -12.973 -14.420 0.686 1.00 28.65 ? 3128 HOH A O 1 HETATM 3104 O O . HOH L 6 . ? -12.060 -1.908 -11.975 1.00 26.01 ? 3129 HOH A O 1 HETATM 3105 O O . HOH L 6 . ? -23.485 14.987 -12.426 1.00 29.01 ? 3130 HOH A O 1 HETATM 3106 O O . HOH L 6 . ? -14.798 1.288 -18.812 1.00 23.81 ? 3131 HOH A O 1 HETATM 3107 O O . HOH L 6 . ? -14.843 -2.119 -12.465 1.00 27.72 ? 3132 HOH A O 1 HETATM 3108 O O . HOH L 6 . ? -0.074 -0.693 7.510 1.00 30.06 ? 3133 HOH A O 1 HETATM 3109 O O . HOH L 6 . ? -36.703 -0.897 -6.509 1.00 26.68 ? 3134 HOH A O 1 HETATM 3110 O O . HOH L 6 . ? -21.788 23.021 -6.426 1.00 27.60 ? 3135 HOH A O 1 HETATM 3111 O O . HOH L 6 . ? -26.238 -13.066 -10.961 1.00 26.46 ? 3136 HOH A O 1 HETATM 3112 O O . HOH L 6 . ? 1.782 9.846 12.575 1.00 25.21 ? 3137 HOH A O 1 HETATM 3113 O O . HOH L 6 . ? -31.679 -18.269 -4.885 1.00 25.55 ? 3138 HOH A O 1 HETATM 3114 O O . HOH L 6 . ? -29.242 -13.265 -10.289 1.00 36.53 ? 3139 HOH A O 1 HETATM 3115 O O . HOH L 6 . ? -39.474 -2.963 6.915 1.00 23.52 ? 3140 HOH A O 1 HETATM 3116 O O . HOH L 6 . ? -16.005 -16.442 25.495 1.00 31.45 ? 3141 HOH A O 1 HETATM 3117 O O . HOH L 6 . ? -17.965 -18.666 18.478 1.00 24.52 ? 3142 HOH A O 1 HETATM 3118 O O . HOH L 6 . ? -34.903 7.347 -12.278 1.00 27.32 ? 3143 HOH A O 1 HETATM 3119 O O . HOH L 6 . ? -10.682 14.657 14.349 1.00 27.19 ? 3144 HOH A O 1 HETATM 3120 O O . HOH L 6 . ? -38.162 -5.212 7.606 1.00 24.30 ? 3145 HOH A O 1 HETATM 3121 O O . HOH L 6 . ? -13.136 3.587 24.887 1.00 23.88 ? 3146 HOH A O 1 HETATM 3122 O O . HOH L 6 . ? -23.249 11.415 -16.783 1.00 25.73 ? 3147 HOH A O 1 HETATM 3123 O O . HOH L 6 . ? -6.323 -14.125 6.730 1.00 25.75 ? 3148 HOH A O 1 HETATM 3124 O O . HOH L 6 . ? -23.296 4.851 -15.749 1.00 31.11 ? 3149 HOH A O 1 HETATM 3125 O O . HOH L 6 . ? -19.582 -6.550 -10.308 1.00 22.89 ? 3150 HOH A O 1 HETATM 3126 O O . HOH L 6 . ? -37.708 6.500 -9.139 1.00 30.72 ? 3151 HOH A O 1 HETATM 3127 O O . HOH L 6 . ? -24.227 5.499 25.808 1.00 31.79 ? 3152 HOH A O 1 HETATM 3128 O O . HOH L 6 . ? -35.632 4.842 5.427 1.00 26.24 ? 3153 HOH A O 1 HETATM 3129 O O . HOH L 6 . ? -30.082 -12.767 33.062 1.00 27.92 ? 3154 HOH A O 1 HETATM 3130 O O . HOH L 6 . ? -16.101 -5.430 -8.714 1.00 29.56 ? 3155 HOH A O 1 HETATM 3131 O O . HOH L 6 . ? -35.952 -16.153 -3.873 1.00 29.07 ? 3156 HOH A O 1 HETATM 3132 O O . HOH L 6 . ? -14.518 6.363 19.246 1.00 26.27 ? 3157 HOH A O 1 HETATM 3133 O O . HOH L 6 . ? -33.053 8.368 7.155 1.00 25.95 ? 3158 HOH A O 1 HETATM 3134 O O . HOH L 6 . ? -43.623 -15.382 1.385 1.00 29.09 ? 3159 HOH A O 1 HETATM 3135 O O . HOH L 6 . ? -7.065 -2.459 27.530 1.00 26.43 ? 3160 HOH A O 1 HETATM 3136 O O . HOH L 6 . ? 0.394 12.342 15.808 1.00 29.61 ? 3161 HOH A O 1 HETATM 3137 O O . HOH L 6 . ? -16.964 -6.749 27.737 1.00 28.58 ? 3162 HOH A O 1 HETATM 3138 O O . HOH L 6 . ? -2.723 8.995 16.817 1.00 25.20 ? 3163 HOH A O 1 HETATM 3139 O O . HOH L 6 . ? -19.229 10.954 -18.852 1.00 31.53 ? 3164 HOH A O 1 HETATM 3140 O O . HOH L 6 . ? -7.214 -15.218 11.548 1.00 38.92 ? 3165 HOH A O 1 HETATM 3141 O O . HOH L 6 . ? -40.710 5.707 -3.002 1.00 29.31 ? 3166 HOH A O 1 HETATM 3142 O O . HOH L 6 . ? -6.576 -12.792 10.700 1.00 30.82 ? 3167 HOH A O 1 HETATM 3143 O O . HOH L 6 . ? -25.075 9.485 -16.615 1.00 32.43 ? 3168 HOH A O 1 HETATM 3144 O O . HOH L 6 . ? -34.353 -3.205 9.042 1.00 26.53 ? 3169 HOH A O 1 HETATM 3145 O O . HOH L 6 . ? -14.209 17.953 5.952 1.00 30.53 ? 3170 HOH A O 1 HETATM 3146 O O . HOH L 6 . ? -10.196 -0.577 -15.995 1.00 28.35 ? 3171 HOH A O 1 HETATM 3147 O O . HOH L 6 . ? -1.767 1.961 -17.697 1.00 26.36 ? 3172 HOH A O 1 HETATM 3148 O O . HOH L 6 . ? -45.015 -5.306 -1.273 1.00 32.49 ? 3173 HOH A O 1 HETATM 3149 O O . HOH L 6 . ? -41.412 -14.290 2.499 1.00 29.51 ? 3174 HOH A O 1 HETATM 3150 O O . HOH L 6 . ? -5.372 12.878 -8.113 1.00 23.31 ? 3175 HOH A O 1 HETATM 3151 O O . HOH L 6 . ? -32.524 19.291 -0.845 1.00 31.60 ? 3176 HOH A O 1 HETATM 3152 O O . HOH L 6 . ? -21.291 14.149 -13.771 1.00 27.29 ? 3177 HOH A O 1 HETATM 3153 O O . HOH L 6 . ? -36.772 16.676 -5.929 1.00 26.56 ? 3178 HOH A O 1 HETATM 3154 O O . HOH L 6 . ? -31.358 -3.972 19.370 1.00 28.04 ? 3179 HOH A O 1 HETATM 3155 O O . HOH L 6 . ? -28.222 2.898 10.376 1.00 27.41 ? 3180 HOH A O 1 HETATM 3156 O O . HOH L 6 . ? -26.473 -22.948 13.318 1.00 34.60 ? 3181 HOH A O 1 HETATM 3157 O O . HOH L 6 . ? -3.391 6.899 -15.186 1.00 30.25 ? 3182 HOH A O 1 HETATM 3158 O O . HOH L 6 . ? -15.006 -16.864 19.059 1.00 27.30 ? 3183 HOH A O 1 HETATM 3159 O O . HOH L 6 . ? -4.358 -15.068 14.298 1.00 35.72 ? 3184 HOH A O 1 HETATM 3160 O O . HOH L 6 . ? -7.593 1.333 -8.903 1.00 24.99 ? 3185 HOH A O 1 HETATM 3161 O O . HOH L 6 . ? -16.384 3.862 19.979 1.00 31.14 ? 3186 HOH A O 1 HETATM 3162 O O . HOH L 6 . ? -14.608 9.157 12.500 1.00 31.98 ? 3187 HOH A O 1 HETATM 3163 O O . HOH L 6 . ? -36.605 -13.566 -7.568 1.00 29.76 ? 3188 HOH A O 1 HETATM 3164 O O . HOH L 6 . ? -41.912 2.023 2.128 1.00 30.59 ? 3189 HOH A O 1 HETATM 3165 O O . HOH L 6 . ? -25.553 -25.601 3.670 1.00 29.04 ? 3190 HOH A O 1 HETATM 3166 O O . HOH L 6 . ? -34.983 -18.976 0.925 1.00 31.76 ? 3191 HOH A O 1 HETATM 3167 O O . HOH L 6 . ? -43.333 -0.682 1.620 1.00 31.99 ? 3192 HOH A O 1 HETATM 3168 O O . HOH L 6 . ? -20.801 0.309 31.410 1.00 30.89 ? 3193 HOH A O 1 HETATM 3169 O O . HOH L 6 . ? -28.849 7.745 9.790 1.00 35.50 ? 3194 HOH A O 1 HETATM 3170 O O . HOH L 6 . ? -19.297 -9.929 -13.085 1.00 54.52 ? 3195 HOH A O 1 HETATM 3171 O O . HOH L 6 . ? -39.875 -1.351 -4.208 1.00 31.75 ? 3196 HOH A O 1 HETATM 3172 O O . HOH L 6 . ? -19.394 -4.349 -12.271 1.00 28.38 ? 3197 HOH A O 1 HETATM 3173 O O . HOH L 6 . ? -10.818 -19.301 11.356 1.00 31.93 ? 3198 HOH A O 1 HETATM 3174 O O . HOH L 6 . ? -13.373 -7.784 31.746 1.00 34.34 ? 3199 HOH A O 1 HETATM 3175 O O . HOH L 6 . ? -13.655 -8.622 -7.167 1.00 44.42 ? 3200 HOH A O 1 HETATM 3176 O O . HOH L 6 . ? -22.736 -15.016 36.361 1.00 33.16 ? 3201 HOH A O 1 HETATM 3177 O O . HOH L 6 . ? -20.693 -8.879 -11.093 1.00 33.56 ? 3202 HOH A O 1 HETATM 3178 O O . HOH L 6 . ? -21.548 -22.168 18.905 1.00 31.49 ? 3203 HOH A O 1 HETATM 3179 O O . HOH L 6 . ? -36.844 -4.684 9.794 1.00 34.83 ? 3204 HOH A O 1 HETATM 3180 O O . HOH L 6 . ? -20.141 22.764 2.967 1.00 36.27 ? 3205 HOH A O 1 HETATM 3181 O O . HOH L 6 . ? -25.119 18.892 1.858 1.00 32.78 ? 3206 HOH A O 1 HETATM 3182 O O . HOH L 6 . ? 1.460 7.087 12.478 1.00 26.80 ? 3207 HOH A O 1 HETATM 3183 O O . HOH L 6 . ? -14.749 -17.973 21.512 1.00 32.60 ? 3208 HOH A O 1 HETATM 3184 O O . HOH L 6 . ? -36.002 13.094 1.826 1.00 37.06 ? 3209 HOH A O 1 HETATM 3185 O O . HOH L 6 . ? -25.278 -18.425 22.861 1.00 32.50 ? 3210 HOH A O 1 HETATM 3186 O O . HOH L 6 . ? -30.122 3.983 -14.072 1.00 29.81 ? 3211 HOH A O 1 HETATM 3187 O O . HOH L 6 . ? 3.324 6.164 1.896 1.00 43.20 ? 3212 HOH A O 1 HETATM 3188 O O . HOH L 6 . ? -29.006 11.176 -14.646 1.00 42.45 ? 3213 HOH A O 1 HETATM 3189 O O . HOH L 6 . ? -16.787 -17.486 23.022 1.00 30.46 ? 3214 HOH A O 1 HETATM 3190 O O . HOH L 6 . ? -6.150 -15.310 1.456 1.00 32.55 ? 3215 HOH A O 1 HETATM 3191 O O . HOH L 6 . ? -41.934 -18.180 19.702 1.00 55.93 ? 3216 HOH A O 1 HETATM 3192 O O . HOH L 6 . ? -3.954 0.364 -12.681 1.00 31.87 ? 3217 HOH A O 1 HETATM 3193 O O . HOH L 6 . ? -6.141 8.066 -13.089 1.00 28.40 ? 3218 HOH A O 1 HETATM 3194 O O . HOH L 6 . ? -5.107 -7.685 24.342 1.00 36.88 ? 3219 HOH A O 1 HETATM 3195 O O . HOH L 6 . ? -28.602 5.502 11.003 1.00 33.09 ? 3220 HOH A O 1 HETATM 3196 O O . HOH L 6 . ? -37.563 -0.687 -4.029 1.00 32.62 ? 3221 HOH A O 1 HETATM 3197 O O . HOH L 6 . ? -24.900 16.908 -13.192 1.00 32.32 ? 3222 HOH A O 1 HETATM 3198 O O . HOH L 6 . ? -4.367 7.326 -11.162 1.00 30.73 ? 3223 HOH A O 1 HETATM 3199 O O . HOH L 6 . ? 1.243 -11.603 5.668 1.00 30.58 ? 3224 HOH A O 1 HETATM 3200 O O . HOH L 6 . ? -18.068 -22.770 16.739 1.00 35.21 ? 3225 HOH A O 1 HETATM 3201 O O . HOH L 6 . ? -13.143 18.713 -8.703 1.00 31.34 ? 3226 HOH A O 1 HETATM 3202 O O . HOH L 6 . ? -29.365 -22.523 7.248 1.00 28.61 ? 3227 HOH A O 1 HETATM 3203 O O . HOH L 6 . ? -38.611 1.800 7.789 1.00 33.28 ? 3228 HOH A O 1 HETATM 3204 O O . HOH L 6 . ? -38.527 -11.568 21.564 1.00 37.08 ? 3229 HOH A O 1 HETATM 3205 O O . HOH L 6 . ? -29.401 -0.402 32.783 1.00 29.71 ? 3230 HOH A O 1 HETATM 3206 O O . HOH L 6 . ? -13.428 -5.528 30.321 1.00 33.66 ? 3231 HOH A O 1 HETATM 3207 O O . HOH L 6 . ? -18.374 9.935 10.329 1.00 36.41 ? 3232 HOH A O 1 HETATM 3208 O O . HOH L 6 . ? -21.866 -11.809 36.937 1.00 33.90 ? 3233 HOH A O 1 HETATM 3209 O O . HOH L 6 . ? -36.968 0.225 -11.783 1.00 35.74 ? 3234 HOH A O 1 HETATM 3210 O O . HOH L 6 . ? -4.466 1.919 23.283 1.00 35.15 ? 3235 HOH A O 1 HETATM 3211 O O . HOH L 6 . ? -21.138 -18.738 28.742 1.00 37.02 ? 3236 HOH A O 1 HETATM 3212 O O . HOH L 6 . ? -26.095 -24.522 6.051 1.00 29.89 ? 3237 HOH A O 1 HETATM 3213 O O . HOH L 6 . ? -27.818 24.644 -8.230 1.00 33.00 ? 3238 HOH A O 1 HETATM 3214 O O . HOH L 6 . ? -10.229 12.851 -12.836 1.00 35.84 ? 3239 HOH A O 1 HETATM 3215 O O . HOH L 6 . ? 3.006 -9.820 4.728 1.00 39.49 ? 3240 HOH A O 1 HETATM 3216 O O . HOH L 6 . ? -21.205 7.994 11.217 1.00 35.00 ? 3241 HOH A O 1 HETATM 3217 O O . HOH L 6 . ? -18.968 -19.125 32.117 1.00 38.08 ? 3242 HOH A O 1 HETATM 3218 O O . HOH L 6 . ? -12.325 0.113 -17.636 1.00 29.32 ? 3243 HOH A O 1 HETATM 3219 O O . HOH L 6 . ? -21.187 5.716 27.095 1.00 40.62 ? 3244 HOH A O 1 HETATM 3220 O O . HOH L 6 . ? -6.776 15.537 0.958 1.00 32.86 ? 3245 HOH A O 1 HETATM 3221 O O . HOH L 6 . ? -31.981 18.153 2.665 1.00 35.09 ? 3246 HOH A O 1 HETATM 3222 O O . HOH L 6 . ? -27.065 15.630 -14.638 1.00 37.27 ? 3247 HOH A O 1 HETATM 3223 O O . HOH L 6 . ? -14.734 15.151 -15.327 1.00 31.53 ? 3248 HOH A O 1 HETATM 3224 O O . HOH L 6 . ? -1.541 -3.148 -5.678 1.00 34.07 ? 3249 HOH A O 1 HETATM 3225 O O . HOH L 6 . ? -23.474 -25.614 2.277 1.00 37.29 ? 3250 HOH A O 1 HETATM 3226 O O . HOH L 6 . ? -33.082 0.550 31.492 1.00 35.37 ? 3251 HOH A O 1 HETATM 3227 O O . HOH L 6 . ? -20.554 -15.884 -6.437 1.00 32.61 ? 3252 HOH A O 1 HETATM 3228 O O . HOH L 6 . ? -19.914 -12.001 -8.446 1.00 38.96 ? 3253 HOH A O 1 HETATM 3229 O O . HOH L 6 . ? -10.089 1.015 -19.094 1.00 28.50 ? 3254 HOH A O 1 HETATM 3230 O O . HOH L 6 . ? -0.642 5.947 15.700 1.00 38.65 ? 3255 HOH A O 1 HETATM 3231 O O . HOH L 6 . ? -38.413 -19.552 10.336 1.00 31.67 ? 3256 HOH A O 1 HETATM 3232 O O . HOH L 6 . ? -9.199 -15.254 21.322 1.00 33.05 ? 3257 HOH A O 1 HETATM 3233 O O . HOH L 6 . ? -31.451 6.251 -14.960 1.00 36.87 ? 3258 HOH A O 1 HETATM 3234 O O . HOH L 6 . ? -13.051 -15.107 -1.741 1.00 40.32 ? 3259 HOH A O 1 HETATM 3235 O O . HOH L 6 . ? -28.231 10.095 11.086 1.00 36.70 ? 3260 HOH A O 1 HETATM 3236 O O . HOH L 6 . ? -3.495 -6.028 16.753 1.00 36.08 ? 3261 HOH A O 1 HETATM 3237 O O . HOH L 6 . ? -43.223 -5.075 -3.599 1.00 40.90 ? 3262 HOH A O 1 HETATM 3238 O O . HOH L 6 . ? -25.901 -16.289 34.218 1.00 32.02 ? 3263 HOH A O 1 HETATM 3239 O O . HOH L 6 . ? -17.919 -0.322 -16.507 1.00 30.30 ? 3264 HOH A O 1 HETATM 3240 O O . HOH L 6 . ? -4.692 -1.231 -6.051 1.00 33.58 ? 3265 HOH A O 1 HETATM 3241 O O . HOH L 6 . ? -22.656 18.270 3.045 1.00 36.02 ? 3266 HOH A O 1 HETATM 3242 O O . HOH L 6 . ? -7.267 -7.429 -7.016 1.00 45.93 ? 3267 HOH A O 1 HETATM 3243 O O . HOH L 6 . ? -5.087 2.173 -6.318 1.00 32.06 ? 3268 HOH A O 1 HETATM 3244 O O . HOH L 6 . ? -2.983 6.334 -9.158 1.00 33.19 ? 3269 HOH A O 1 HETATM 3245 O O . HOH L 6 . ? -31.214 -22.989 5.405 1.00 31.02 ? 3270 HOH A O 1 HETATM 3246 O O . HOH L 6 . ? -19.708 4.620 29.208 1.00 40.87 ? 3271 HOH A O 1 HETATM 3247 O O . HOH L 6 . ? -2.618 15.186 10.299 1.00 33.86 ? 3272 HOH A O 1 HETATM 3248 O O . HOH L 6 . ? -20.288 -23.756 1.639 1.00 36.98 ? 3273 HOH A O 1 HETATM 3249 O O . HOH L 6 . ? -35.823 -12.075 17.447 1.00 29.19 ? 3274 HOH A O 1 HETATM 3250 O O . HOH L 6 . ? -36.758 2.881 8.836 1.00 37.62 ? 3275 HOH A O 1 HETATM 3251 O O . HOH L 6 . ? -24.242 18.842 -15.084 1.00 34.53 ? 3276 HOH A O 1 HETATM 3252 O O . HOH L 6 . ? -26.255 20.588 3.810 1.00 41.61 ? 3277 HOH A O 1 HETATM 3253 O O . HOH L 6 . ? -14.032 -6.905 28.180 1.00 30.71 ? 3278 HOH A O 1 HETATM 3254 O O . HOH L 6 . ? -21.980 -23.783 -1.524 1.00 42.80 ? 3279 HOH A O 1 HETATM 3255 O O . HOH L 6 . ? -6.852 15.066 -11.606 1.00 41.30 ? 3280 HOH A O 1 HETATM 3256 O O . HOH L 6 . ? -19.710 7.591 13.157 1.00 34.45 ? 3281 HOH A O 1 HETATM 3257 O O . HOH L 6 . ? -1.925 -0.850 15.282 1.00 32.65 ? 3282 HOH A O 1 HETATM 3258 O O . HOH L 6 . ? -6.158 0.032 -17.346 1.00 39.35 ? 3283 HOH A O 1 HETATM 3259 O O . HOH L 6 . ? -3.824 0.608 18.807 1.00 33.17 ? 3284 HOH A O 1 HETATM 3260 O O . HOH L 6 . ? -40.424 7.738 -4.464 1.00 34.14 ? 3285 HOH A O 1 HETATM 3261 O O . HOH L 6 . ? -1.784 -12.928 6.623 1.00 31.97 ? 3286 HOH A O 1 HETATM 3262 O O . HOH L 6 . ? -22.970 1.647 33.042 1.00 40.63 ? 3287 HOH A O 1 HETATM 3263 O O . HOH L 6 . ? -20.686 -24.020 13.380 1.00 47.69 ? 3288 HOH A O 1 HETATM 3264 O O . HOH L 6 . ? -34.680 -17.387 -6.025 1.00 29.83 ? 3289 HOH A O 1 HETATM 3265 O O . HOH L 6 . ? -8.987 17.352 3.951 1.00 31.69 ? 3290 HOH A O 1 HETATM 3266 O O . HOH L 6 . ? -35.424 -21.311 20.003 1.00 39.10 ? 3291 HOH A O 1 HETATM 3267 O O . HOH L 6 . ? -27.445 1.478 20.517 1.00 40.83 ? 3292 HOH A O 1 HETATM 3268 O O . HOH L 6 . ? -9.570 -6.058 33.251 1.00 34.11 ? 3293 HOH A O 1 HETATM 3269 O O . HOH L 6 . ? -17.017 23.414 -4.483 1.00 40.43 ? 3294 HOH A O 1 HETATM 3270 O O . HOH L 6 . ? -11.384 -2.814 -14.376 1.00 43.25 ? 3295 HOH A O 1 HETATM 3271 O O . HOH L 6 . ? -8.441 -18.190 7.850 1.00 36.54 ? 3296 HOH A O 1 HETATM 3272 O O . HOH L 6 . ? -28.423 -5.330 -12.904 1.00 38.32 ? 3297 HOH A O 1 HETATM 3273 O O . HOH L 6 . ? -30.878 -15.575 -8.382 1.00 35.21 ? 3298 HOH A O 1 HETATM 3274 O O . HOH L 6 . ? -7.645 -5.273 27.844 1.00 46.28 ? 3299 HOH A O 1 HETATM 3275 O O . HOH L 6 . ? 2.175 -3.477 4.712 1.00 48.64 ? 3300 HOH A O 1 HETATM 3276 O O . HOH L 6 . ? -18.332 -22.988 14.166 1.00 48.37 ? 3301 HOH A O 1 HETATM 3277 O O . HOH L 6 . ? -39.173 8.195 -7.442 1.00 38.94 ? 3302 HOH A O 1 HETATM 3278 O O . HOH L 6 . ? -1.924 4.305 -5.566 1.00 35.04 ? 3303 HOH A O 1 HETATM 3279 O O . HOH L 6 . ? -28.569 -21.747 15.629 1.00 34.61 ? 3304 HOH A O 1 HETATM 3280 O O . HOH L 6 . ? -37.395 8.573 -12.560 1.00 43.93 ? 3305 HOH A O 1 HETATM 3281 O O . HOH L 6 . ? -24.859 20.996 -0.323 1.00 34.08 ? 3306 HOH A O 1 HETATM 3282 O O . HOH L 6 . ? -5.821 7.129 19.782 1.00 36.95 ? 3307 HOH A O 1 HETATM 3283 O O . HOH L 6 . ? -2.959 1.888 -4.357 1.00 46.86 ? 3308 HOH A O 1 HETATM 3284 O O . HOH L 6 . ? -31.663 0.936 33.824 1.00 36.76 ? 3309 HOH A O 1 HETATM 3285 O O . HOH L 6 . ? -3.592 -1.567 24.410 1.00 42.63 ? 3310 HOH A O 1 HETATM 3286 O O . HOH L 6 . ? -1.398 11.056 17.802 1.00 33.55 ? 3311 HOH A O 1 HETATM 3287 O O . HOH L 6 . ? -24.114 -15.491 -8.929 1.00 35.04 ? 3312 HOH A O 1 HETATM 3288 O O . HOH L 6 . ? -13.397 -16.229 26.091 1.00 41.67 ? 3313 HOH A O 1 HETATM 3289 O O . HOH L 6 . ? -33.203 13.448 4.514 1.00 41.71 ? 3314 HOH A O 1 HETATM 3290 O O . HOH L 6 . ? -38.734 -5.510 15.092 1.00 55.10 ? 3315 HOH A O 1 HETATM 3291 O O . HOH L 6 . ? -8.651 -9.977 -7.433 1.00 44.21 ? 3316 HOH A O 1 HETATM 3292 O O . HOH L 6 . ? -0.385 12.977 -4.213 1.00 31.12 ? 3317 HOH A O 1 HETATM 3293 O O . HOH L 6 . ? -39.003 17.207 -8.299 1.00 41.01 ? 3318 HOH A O 1 HETATM 3294 O O . HOH L 6 . ? -21.337 21.818 -11.179 1.00 34.93 ? 3319 HOH A O 1 HETATM 3295 O O . HOH L 6 . ? -34.154 5.666 -14.178 1.00 40.81 ? 3320 HOH A O 1 HETATM 3296 O O . HOH L 6 . ? -28.441 19.579 5.173 1.00 32.08 ? 3321 HOH A O 1 HETATM 3297 O O . HOH L 6 . ? -5.101 0.399 -9.787 1.00 35.92 ? 3322 HOH A O 1 HETATM 3298 O O . HOH L 6 . ? -19.032 -25.082 6.896 1.00 40.14 ? 3323 HOH A O 1 HETATM 3299 O O . HOH L 6 . ? -3.093 11.412 -7.664 1.00 36.54 ? 3324 HOH A O 1 HETATM 3300 O O . HOH L 6 . ? -33.679 -23.871 11.979 1.00 35.94 ? 3325 HOH A O 1 HETATM 3301 O O . HOH L 6 . ? -24.886 -20.814 21.816 1.00 35.00 ? 3326 HOH A O 1 HETATM 3302 O O . HOH L 6 . ? -26.920 9.533 8.524 1.00 46.63 ? 3327 HOH A O 1 HETATM 3303 O O . HOH L 6 . ? -41.498 -3.050 8.526 1.00 50.85 ? 3328 HOH A O 1 HETATM 3304 O O . HOH L 6 . ? -18.524 21.158 -11.293 1.00 38.27 ? 3329 HOH A O 1 HETATM 3305 O O . HOH L 6 . ? -12.148 -12.880 27.681 1.00 33.66 ? 3330 HOH A O 1 HETATM 3306 O O . HOH L 6 . ? -12.801 -10.159 -4.968 1.00 34.31 ? 3331 HOH A O 1 HETATM 3307 O O . HOH L 6 . ? -41.984 -10.693 32.610 1.00 38.37 ? 3332 HOH A O 1 HETATM 3308 O O . HOH L 6 . ? -15.945 -24.361 8.320 1.00 42.97 ? 3333 HOH A O 1 HETATM 3309 O O . HOH L 6 . ? -30.380 -2.595 21.777 1.00 32.28 ? 3334 HOH A O 1 HETATM 3310 O O . HOH L 6 . ? -11.033 0.693 29.486 1.00 50.68 ? 3335 HOH A O 1 HETATM 3311 O O . HOH L 6 . ? -17.994 -16.488 -6.585 1.00 50.78 ? 3336 HOH A O 1 HETATM 3312 O O . HOH L 6 . ? -7.148 -15.914 23.137 1.00 46.70 ? 3337 HOH A O 1 HETATM 3313 O O . HOH L 6 . ? -38.183 14.097 -5.758 1.00 32.58 ? 3338 HOH A O 1 HETATM 3314 O O . HOH L 6 . ? -34.819 -2.263 34.397 1.00 47.85 ? 3339 HOH A O 1 HETATM 3315 O O . HOH L 6 . ? -22.777 1.023 -16.056 1.00 42.68 ? 3340 HOH A O 1 HETATM 3316 O O . HOH L 6 . ? -38.962 16.973 4.754 1.00 39.82 ? 3341 HOH A O 1 HETATM 3317 O O . HOH L 6 . ? -30.540 22.714 -2.111 1.00 39.56 ? 3342 HOH A O 1 HETATM 3318 O O . HOH L 6 . ? -18.254 2.370 29.363 1.00 41.44 ? 3343 HOH A O 1 HETATM 3319 O O . HOH L 6 . ? -4.459 10.150 -11.468 1.00 43.26 ? 3344 HOH A O 1 HETATM 3320 O O . HOH L 6 . ? -38.519 1.366 -7.369 1.00 39.47 ? 3345 HOH A O 1 HETATM 3321 O O . HOH L 6 . ? -37.284 -17.052 30.645 1.00 39.57 ? 3346 HOH A O 1 HETATM 3322 O O . HOH L 6 . ? -37.546 -4.037 12.264 1.00 48.08 ? 3347 HOH A O 1 HETATM 3323 O O . HOH L 6 . ? -37.024 2.960 -12.879 1.00 41.23 ? 3348 HOH A O 1 HETATM 3324 O O . HOH L 6 . ? -24.275 21.077 -13.516 1.00 39.45 ? 3349 HOH A O 1 HETATM 3325 O O . HOH L 6 . ? 0.621 0.507 -1.013 1.00 39.46 ? 3350 HOH A O 1 HETATM 3326 O O . HOH L 6 . ? -16.332 21.261 -9.798 1.00 35.36 ? 3351 HOH A O 1 HETATM 3327 O O . HOH L 6 . ? 0.832 3.841 1.512 1.00 44.77 ? 3352 HOH A O 1 HETATM 3328 O O . HOH L 6 . ? -21.641 -3.851 -13.899 1.00 35.00 ? 3353 HOH A O 1 HETATM 3329 O O . HOH L 6 . ? 1.611 2.857 11.488 1.00 43.50 ? 3354 HOH A O 1 HETATM 3330 O O . HOH L 6 . ? -24.471 14.020 -16.876 1.00 38.90 ? 3355 HOH A O 1 HETATM 3331 O O . HOH L 6 . ? -33.068 -9.639 35.008 1.00 39.70 ? 3356 HOH A O 1 HETATM 3332 O O . HOH L 6 . ? -26.721 -13.947 36.091 1.00 36.50 ? 3357 HOH A O 1 HETATM 3333 O O . HOH L 6 . ? -8.187 -0.424 29.172 1.00 42.10 ? 3358 HOH A O 1 HETATM 3334 O O . HOH L 6 . ? -32.043 13.656 -2.955 1.00 41.97 ? 3359 HOH A O 1 HETATM 3335 O O . HOH L 6 . ? -17.164 -7.708 -9.488 1.00 36.32 ? 3360 HOH A O 1 HETATM 3336 O O . HOH L 6 . ? -7.960 -17.954 10.737 1.00 41.93 ? 3361 HOH A O 1 HETATM 3337 O O . HOH L 6 . ? 1.440 0.357 14.970 1.00 44.36 ? 3362 HOH A O 1 HETATM 3338 O O . HOH L 6 . ? -19.787 -11.375 35.061 1.00 34.44 ? 3363 HOH A O 1 HETATM 3339 O O . HOH L 6 . ? -27.144 -9.545 -14.488 1.00 41.17 ? 3364 HOH A O 1 HETATM 3340 O O . HOH L 6 . ? -12.693 -21.898 10.239 1.00 39.39 ? 3365 HOH A O 1 HETATM 3341 O O . HOH L 6 . ? -5.750 11.436 18.424 1.00 35.86 ? 3366 HOH A O 1 HETATM 3342 O O . HOH L 6 . ? -38.513 3.458 -9.398 1.00 41.71 ? 3367 HOH A O 1 HETATM 3343 O O . HOH L 6 . ? -39.833 -21.698 17.668 1.00 97.60 ? 3368 HOH A O 1 HETATM 3344 O O . HOH L 6 . ? -19.232 5.787 18.349 1.00 38.26 ? 3369 HOH A O 1 HETATM 3345 O O . HOH L 6 . ? -0.517 3.203 15.831 1.00 41.89 ? 3370 HOH A O 1 HETATM 3346 O O . HOH L 6 . ? -44.626 14.180 -0.424 1.00 43.43 ? 3371 HOH A O 1 HETATM 3347 O O . HOH L 6 . ? -26.316 -22.607 23.113 1.00 41.03 ? 3372 HOH A O 1 HETATM 3348 O O . HOH L 6 . ? 1.955 1.147 8.521 1.00 38.67 ? 3373 HOH A O 1 HETATM 3349 O O . HOH L 6 . ? -15.750 -13.337 -6.685 1.00 39.57 ? 3374 HOH A O 1 HETATM 3350 O O . HOH L 6 . ? -2.700 6.044 20.185 1.00 43.81 ? 3375 HOH A O 1 HETATM 3351 O O . HOH L 6 . ? -8.126 -5.905 -10.375 1.00 38.13 ? 3376 HOH A O 1 HETATM 3352 O O . HOH L 6 . ? -0.823 7.349 -14.594 1.00 42.32 ? 3377 HOH A O 1 HETATM 3353 O O . HOH L 6 . ? -13.070 15.363 13.310 1.00 39.42 ? 3378 HOH A O 1 HETATM 3354 O O . HOH L 6 . ? -31.772 -21.884 23.315 1.00 48.97 ? 3379 HOH A O 1 HETATM 3355 O O . HOH L 6 . ? -5.192 15.496 -8.363 1.00 41.92 ? 3380 HOH A O 1 HETATM 3356 O O . HOH L 6 . ? -15.439 -4.435 -11.262 1.00 36.99 ? 3381 HOH A O 1 HETATM 3357 O O . HOH L 6 . ? -8.160 -22.742 22.018 1.00 55.15 ? 3382 HOH A O 1 HETATM 3358 O O . HOH L 6 . ? -34.463 0.839 20.674 1.00 54.57 ? 3383 HOH A O 1 HETATM 3359 O O . HOH L 6 . ? -17.572 27.832 13.618 1.00 66.07 ? 3384 HOH A O 1 HETATM 3360 O O . HOH L 6 . ? -31.616 -23.782 20.132 1.00 52.69 ? 3385 HOH A O 1 HETATM 3361 O O . HOH L 6 . ? -6.522 4.851 23.190 1.00 39.55 ? 3386 HOH A O 1 HETATM 3362 O O . HOH L 6 . ? -17.129 -18.574 27.268 1.00 48.32 ? 3387 HOH A O 1 HETATM 3363 O O . HOH L 6 . ? -37.801 -7.850 14.640 1.00 58.63 ? 3388 HOH A O 1 HETATM 3364 O O . HOH L 6 . ? -42.906 2.873 -0.436 1.00 41.29 ? 3389 HOH A O 1 HETATM 3365 O O . HOH L 6 . ? 4.231 -5.321 -3.009 1.00 35.59 ? 3390 HOH A O 1 HETATM 3366 O O . HOH L 6 . ? -33.104 4.031 10.341 1.00 39.79 ? 3391 HOH A O 1 HETATM 3367 O O . HOH L 6 . ? -33.781 11.842 -12.572 1.00 46.70 ? 3392 HOH A O 1 HETATM 3368 O O . HOH L 6 . ? -5.928 -12.434 26.651 1.00 39.25 ? 3393 HOH A O 1 HETATM 3369 O O . HOH L 6 . ? -3.948 -10.535 12.493 1.00 49.03 ? 3394 HOH A O 1 HETATM 3370 O O . HOH L 6 . ? -37.286 -10.832 12.894 1.00 34.78 ? 3395 HOH A O 1 HETATM 3371 O O . HOH L 6 . ? -39.855 -13.763 17.655 1.00 53.40 ? 3396 HOH A O 1 HETATM 3372 O O . HOH L 6 . ? -1.175 -8.075 10.227 1.00 52.14 ? 3397 HOH A O 1 HETATM 3373 O O . HOH L 6 . ? -2.746 -6.850 21.737 1.00 40.30 ? 3398 HOH A O 1 HETATM 3374 O O . HOH L 6 . ? -3.237 -13.430 18.652 1.00 47.04 ? 3399 HOH A O 1 HETATM 3375 O O . HOH L 6 . ? -0.720 -3.511 14.865 1.00 49.66 ? 3400 HOH A O 1 HETATM 3376 O O . HOH L 6 . ? -33.074 -12.424 34.340 1.00 50.99 ? 3401 HOH A O 1 HETATM 3377 O O . HOH L 6 . ? -32.138 13.822 -10.623 1.00 43.19 ? 3402 HOH A O 1 HETATM 3378 O O . HOH L 6 . ? 3.182 -3.954 -5.110 1.00 38.53 ? 3403 HOH A O 1 HETATM 3379 O O . HOH L 6 . ? -1.656 1.547 -13.163 1.00 42.74 ? 3404 HOH A O 1 HETATM 3380 O O . HOH L 6 . ? -19.483 -24.760 3.617 1.00 41.29 ? 3405 HOH A O 1 HETATM 3381 O O . HOH L 6 . ? -24.739 23.891 -6.156 1.00 40.10 ? 3406 HOH A O 1 HETATM 3382 O O . HOH L 6 . ? -31.088 15.513 -13.839 1.00 48.90 ? 3407 HOH A O 1 HETATM 3383 O O . HOH L 6 . ? -8.843 -15.015 25.585 1.00 42.65 ? 3408 HOH A O 1 HETATM 3384 O O . HOH L 6 . ? -2.065 13.632 -5.809 1.00 38.56 ? 3409 HOH A O 1 HETATM 3385 O O . HOH L 6 . ? 2.170 5.571 10.120 1.00 36.81 ? 3410 HOH A O 1 HETATM 3386 O O . HOH L 6 . ? -34.460 8.636 -16.558 1.00 55.81 ? 3411 HOH A O 1 HETATM 3387 O O . HOH L 6 . ? -14.215 12.195 15.808 1.00 44.84 ? 3412 HOH A O 1 HETATM 3388 O O . HOH L 6 . ? -24.807 -24.483 19.264 1.00 44.49 ? 3413 HOH A O 1 HETATM 3389 O O . HOH L 6 . ? -31.485 12.779 -14.533 1.00 56.02 ? 3414 HOH A O 1 HETATM 3390 O O . HOH L 6 . ? -30.176 -15.198 34.116 1.00 41.32 ? 3415 HOH A O 1 HETATM 3391 O O . HOH L 6 . ? -18.562 -26.908 0.307 1.00 55.57 ? 3416 HOH A O 1 HETATM 3392 O O . HOH L 6 . ? -29.704 -23.519 23.129 1.00 41.25 ? 3417 HOH A O 1 HETATM 3393 O O . HOH L 6 . ? -42.061 -16.585 5.348 1.00 43.01 ? 3418 HOH A O 1 HETATM 3394 O O . HOH L 6 . ? -7.336 11.805 20.613 1.00 48.04 ? 3419 HOH A O 1 HETATM 3395 O O . HOH L 6 . ? -35.022 -2.000 13.015 1.00 41.17 ? 3420 HOH A O 1 HETATM 3396 O O . HOH L 6 . ? -22.592 -19.887 -5.144 1.00 44.81 ? 3421 HOH A O 1 HETATM 3397 O O . HOH L 6 . ? -30.840 2.256 11.839 1.00 36.86 ? 3422 HOH A O 1 HETATM 3398 O O . HOH L 6 . ? -12.849 11.807 -15.188 1.00 40.63 ? 3423 HOH A O 1 HETATM 3399 O O . HOH L 6 . ? -30.102 13.987 10.502 1.00 86.61 ? 3424 HOH A O 1 HETATM 3400 O O . HOH L 6 . ? -25.252 -21.561 29.366 1.00 48.32 ? 3425 HOH A O 1 HETATM 3401 O O . HOH L 6 . ? -31.445 -22.655 25.883 1.00 50.35 ? 3426 HOH A O 1 HETATM 3402 O O . HOH L 6 . ? -31.840 -24.363 7.596 1.00 55.04 ? 3427 HOH A O 1 HETATM 3403 O O . HOH L 6 . ? -39.194 -19.512 24.660 1.00 52.57 ? 3428 HOH A O 1 HETATM 3404 O O . HOH L 6 . ? -0.504 10.636 -1.649 1.00 46.02 ? 3429 HOH A O 1 HETATM 3405 O O . HOH L 6 . ? -43.827 -16.976 7.710 1.00 67.67 ? 3430 HOH A O 1 HETATM 3406 O O . HOH L 6 . ? -26.427 22.670 -14.021 1.00 43.03 ? 3431 HOH A O 1 HETATM 3407 O O . HOH L 6 . ? -31.663 0.320 14.851 1.00 46.30 ? 3432 HOH A O 1 HETATM 3408 O O . HOH L 6 . ? -17.084 -28.342 1.798 1.00 61.62 ? 3433 HOH A O 1 HETATM 3409 O O . HOH L 6 . ? -22.551 -19.372 33.620 1.00 58.41 ? 3434 HOH A O 1 HETATM 3410 O O . HOH L 6 . ? -33.163 -4.496 35.963 1.00 44.19 ? 3435 HOH A O 1 HETATM 3411 O O . HOH L 6 . ? 2.771 -6.686 -7.065 1.00 43.27 ? 3436 HOH A O 1 HETATM 3412 O O . HOH L 6 . ? 2.048 3.667 6.087 1.00 44.68 ? 3437 HOH A O 1 HETATM 3413 O O . HOH L 6 . ? -40.860 -1.823 -6.770 1.00 35.38 ? 3438 HOH A O 1 HETATM 3414 O O . HOH L 6 . ? -41.017 4.341 -6.434 1.00 40.62 ? 3439 HOH A O 1 HETATM 3415 O O . HOH L 6 . ? -28.093 2.080 31.792 1.00 51.87 ? 3440 HOH A O 1 HETATM 3416 O O . HOH L 6 . ? -17.993 20.337 -14.262 1.00 51.64 ? 3441 HOH A O 1 HETATM 3417 O O . HOH L 6 . ? -26.922 -12.020 -13.691 1.00 46.95 ? 3442 HOH A O 1 HETATM 3418 O O . HOH L 6 . ? -8.035 -12.500 0.894 1.00 37.74 ? 3443 HOH A O 1 HETATM 3419 O O . HOH L 6 . ? -26.790 18.653 -17.220 1.00 54.19 ? 3444 HOH A O 1 HETATM 3420 O O . HOH L 6 . ? -35.977 -9.807 14.892 1.00 50.90 ? 3445 HOH A O 1 HETATM 3421 O O . HOH L 6 . ? -13.750 -20.829 12.549 1.00 44.75 ? 3446 HOH A O 1 HETATM 3422 O O . HOH L 6 . ? -27.622 10.469 -16.574 1.00 49.79 ? 3447 HOH A O 1 HETATM 3423 O O . HOH L 6 . ? -4.497 9.708 -14.136 1.00 36.96 ? 3448 HOH A O 1 HETATM 3424 O O . HOH L 6 . ? -37.358 -19.226 20.599 1.00 43.23 ? 3449 HOH A O 1 HETATM 3425 O O . HOH L 6 . ? -17.198 0.034 -19.332 1.00 44.16 ? 3450 HOH A O 1 HETATM 3426 O O . HOH L 6 . ? -30.620 -23.857 14.534 1.00 43.19 ? 3451 HOH A O 1 HETATM 3427 O O . HOH L 6 . ? -33.946 11.932 7.526 1.00 53.05 ? 3452 HOH A O 1 HETATM 3428 O O . HOH L 6 . ? -10.525 -9.570 -5.431 1.00 48.25 ? 3453 HOH A O 1 HETATM 3429 O O . HOH L 6 . ? -24.982 -3.049 -16.027 1.00 40.23 ? 3454 HOH A O 1 HETATM 3430 O O . HOH L 6 . ? -25.935 22.413 -2.313 1.00 45.42 ? 3455 HOH A O 1 HETATM 3431 O O . HOH L 6 . ? -35.551 0.311 10.821 1.00 41.69 ? 3456 HOH A O 1 HETATM 3432 O O . HOH L 6 . ? 5.202 -2.076 3.870 1.00 45.51 ? 3457 HOH A O 1 HETATM 3433 O O . HOH L 6 . ? -22.069 10.751 -19.081 1.00 34.89 ? 3458 HOH A O 1 HETATM 3434 O O . HOH L 6 . ? -33.742 16.431 3.384 1.00 47.05 ? 3459 HOH A O 1 HETATM 3435 O O . HOH L 6 . ? -4.402 -14.658 23.565 1.00 42.54 ? 3460 HOH A O 1 HETATM 3436 O O . HOH L 6 . ? -25.900 14.171 13.690 1.00 60.38 ? 3461 HOH A O 1 HETATM 3437 O O . HOH L 6 . ? 0.009 -0.233 -3.581 1.00 45.86 ? 3462 HOH A O 1 HETATM 3438 O O . HOH L 6 . ? -31.895 -3.445 14.867 1.00 21.53 ? 3463 HOH A O 1 HETATM 3439 O O . HOH L 6 . ? -24.481 7.307 -17.937 1.00 56.91 ? 3464 HOH A O 1 HETATM 3440 O O . HOH L 6 . ? 0.737 -3.132 -4.221 1.00 38.23 ? 3465 HOH A O 1 HETATM 3441 O O . HOH L 6 . ? -28.259 -22.256 3.449 1.00 27.28 ? 3466 HOH A O 1 HETATM 3442 O O . HOH L 6 . ? -37.071 -18.254 23.204 1.00 52.86 ? 3467 HOH A O 1 HETATM 3443 O O . HOH L 6 . ? -31.630 7.168 -17.180 1.00 68.50 ? 3468 HOH A O 1 HETATM 3444 O O . HOH L 6 . ? -35.705 -21.483 10.194 1.00 37.46 ? 3469 HOH A O 1 HETATM 3445 O O . HOH L 6 . ? -10.959 -23.899 11.458 1.00 54.43 ? 3470 HOH A O 1 HETATM 3446 O O . HOH L 6 . ? -43.663 3.584 20.019 1.00 102.89 ? 3471 HOH A O 1 HETATM 3447 O O . HOH L 6 . ? -12.243 27.889 1.079 1.00 47.75 ? 3472 HOH A O 1 HETATM 3448 O O . HOH L 6 . ? -6.640 15.090 -4.051 1.00 48.15 ? 3473 HOH A O 1 HETATM 3449 O O . HOH L 6 . ? -1.646 -1.892 19.667 1.00 53.97 ? 3474 HOH A O 1 HETATM 3450 O O . HOH L 6 . ? -44.533 -5.209 24.063 1.00 47.35 ? 3475 HOH A O 1 HETATM 3451 O O . HOH L 6 . ? -11.107 17.961 -10.943 1.00 50.93 ? 3476 HOH A O 1 HETATM 3452 O O . HOH L 6 . ? -21.908 -14.340 -12.478 1.00 43.89 ? 3477 HOH A O 1 HETATM 3453 O O . HOH L 6 . ? -37.758 2.394 31.130 1.00 53.90 ? 3478 HOH A O 1 HETATM 3454 O O . HOH L 6 . ? -35.990 -0.406 -14.105 1.00 44.03 ? 3479 HOH A O 1 HETATM 3455 O O . HOH L 6 . ? -8.259 -20.740 9.252 1.00 39.99 ? 3480 HOH A O 1 HETATM 3456 O O . HOH L 6 . ? -12.311 17.466 9.480 1.00 42.49 ? 3481 HOH A O 1 HETATM 3457 O O . HOH L 6 . ? 2.747 0.381 11.164 1.00 48.68 ? 3482 HOH A O 1 HETATM 3458 O O . HOH L 6 . ? -30.735 -4.754 -12.413 1.00 39.69 ? 3483 HOH A O 1 HETATM 3459 O O . HOH L 6 . ? -1.681 11.149 0.387 1.00 41.35 ? 3484 HOH A O 1 HETATM 3460 O O . HOH L 6 . ? -13.328 6.357 21.892 1.00 52.93 ? 3485 HOH A O 1 HETATM 3461 O O . HOH L 6 . ? -11.930 15.956 -12.664 1.00 51.40 ? 3486 HOH A O 1 HETATM 3462 O O . HOH L 6 . ? 1.593 -18.784 20.791 1.00 76.49 ? 3487 HOH A O 1 HETATM 3463 O O . HOH L 6 . ? -44.069 -1.477 21.677 1.00 63.57 ? 3488 HOH A O 1 HETATM 3464 O O . HOH L 6 . ? -6.114 -3.651 -14.598 1.00 57.29 ? 3489 HOH A O 1 HETATM 3465 O O . HOH L 6 . ? -32.830 -0.607 22.994 1.00 53.45 ? 3490 HOH A O 1 HETATM 3466 O O . HOH L 6 . ? -14.724 27.337 2.194 1.00 49.43 ? 3491 HOH A O 1 HETATM 3467 O O . HOH L 6 . ? -3.328 -11.843 -2.860 1.00 41.11 ? 3492 HOH A O 1 HETATM 3468 O O . HOH L 6 . ? -33.068 -0.651 -17.616 1.00 58.64 ? 3493 HOH A O 1 HETATM 3469 O O . HOH L 6 . ? -25.351 -20.454 -11.572 1.00 55.94 ? 3494 HOH A O 1 HETATM 3470 O O . HOH L 6 . ? -39.450 -19.441 7.428 1.00 67.23 ? 3495 HOH A O 1 HETATM 3471 O O . HOH L 6 . ? -26.765 4.246 21.832 1.00 40.24 ? 3496 HOH A O 1 HETATM 3472 O O . HOH L 6 . ? -15.773 10.263 14.310 1.00 39.52 ? 3497 HOH A O 1 HETATM 3473 O O . HOH L 6 . ? -32.126 -17.451 32.288 1.00 57.39 ? 3498 HOH A O 1 HETATM 3474 O O . HOH L 6 . ? -42.780 -4.760 27.132 1.00 53.76 ? 3499 HOH A O 1 HETATM 3475 O O . HOH L 6 . ? -37.981 -17.490 18.429 1.00 49.26 ? 3500 HOH A O 1 HETATM 3476 O O . HOH L 6 . ? -39.461 -10.620 37.484 1.00 44.94 ? 3501 HOH A O 1 HETATM 3477 O O . HOH L 6 . ? -20.288 17.830 9.593 1.00 45.26 ? 3502 HOH A O 1 HETATM 3478 O O . HOH L 6 . ? -25.383 -23.034 25.532 1.00 67.75 ? 3503 HOH A O 1 HETATM 3479 O O . HOH L 6 . ? -16.425 -10.125 -10.143 1.00 50.28 ? 3504 HOH A O 1 HETATM 3480 O O . HOH L 6 . ? -40.668 -19.188 29.136 1.00 47.56 ? 3505 HOH A O 1 HETATM 3481 O O . HOH L 6 . ? -1.583 4.157 -13.088 1.00 54.86 ? 3506 HOH A O 1 HETATM 3482 O O . HOH L 6 . ? -19.934 14.716 -17.712 1.00 49.60 ? 3507 HOH A O 1 HETATM 3483 O O . HOH L 6 . ? -11.122 17.663 7.164 1.00 36.85 ? 3508 HOH A O 1 HETATM 3484 O O . HOH L 6 . ? -34.680 -1.731 20.119 1.00 53.66 ? 3509 HOH A O 1 HETATM 3485 O O . HOH L 6 . ? -35.176 16.333 6.342 1.00 58.69 ? 3510 HOH A O 1 HETATM 3486 O O . HOH L 6 . ? -32.752 -13.935 36.396 1.00 59.85 ? 3511 HOH A O 1 HETATM 3487 O O . HOH L 6 . ? -12.570 21.963 -6.631 1.00 45.44 ? 3512 HOH A O 1 HETATM 3488 O O . HOH L 6 . ? -34.926 9.418 4.604 1.00 50.39 ? 3513 HOH A O 1 HETATM 3489 O O . HOH L 6 . ? -34.294 -7.014 36.149 1.00 55.98 ? 3514 HOH A O 1 HETATM 3490 O O . HOH L 6 . ? -43.994 -10.081 26.229 1.00 56.42 ? 3515 HOH A O 1 HETATM 3491 O O . HOH L 6 . ? -2.026 -5.061 24.621 1.00 45.95 ? 3516 HOH A O 1 HETATM 3492 O O . HOH L 6 . ? -40.191 -16.485 17.676 1.00 48.43 ? 3517 HOH A O 1 HETATM 3493 O O . HOH L 6 . ? -33.128 -1.747 18.023 1.00 63.27 ? 3518 HOH A O 1 HETATM 3494 O O . HOH L 6 . ? 0.537 -17.211 18.832 1.00 63.39 ? 3519 HOH A O 1 HETATM 3495 O O . HOH L 6 . ? -6.106 4.237 26.619 1.00 38.85 ? 3520 HOH A O 1 HETATM 3496 O O . HOH L 6 . ? -37.454 -13.174 19.208 1.00 46.47 ? 3521 HOH A O 1 HETATM 3497 O O . HOH L 6 . ? -18.166 23.079 -9.130 1.00 44.84 ? 3522 HOH A O 1 HETATM 3498 O O . HOH L 6 . ? -19.368 15.541 -21.476 1.00 56.45 ? 3523 HOH A O 1 HETATM 3499 O O . HOH L 6 . ? -37.066 16.459 -3.360 1.00 42.15 ? 3524 HOH A O 1 HETATM 3500 O O . HOH L 6 . ? -24.626 24.386 -3.477 1.00 46.03 ? 3525 HOH A O 1 HETATM 3501 O O . HOH L 6 . ? -20.440 -25.161 17.626 1.00 45.57 ? 3526 HOH A O 1 HETATM 3502 O O . HOH L 6 . ? 2.508 -1.988 12.406 1.00 50.54 ? 3527 HOH A O 1 HETATM 3503 O O . HOH L 6 . ? -22.896 38.481 6.349 1.00 55.54 ? 3528 HOH A O 1 HETATM 3504 O O . HOH L 6 . ? -16.067 17.697 -19.170 1.00 52.44 ? 3529 HOH A O 1 HETATM 3505 O O . HOH L 6 . ? -2.598 -8.874 19.789 1.00 40.53 ? 3530 HOH A O 1 HETATM 3506 O O . HOH L 6 . ? -15.889 -27.407 7.550 1.00 54.81 ? 3531 HOH A O 1 HETATM 3507 O O . HOH L 6 . ? -15.259 21.877 6.016 1.00 45.44 ? 3532 HOH A O 1 HETATM 3508 O O . HOH L 6 . ? -38.719 -10.166 -10.363 1.00 42.62 ? 3533 HOH A O 1 HETATM 3509 O O . HOH L 6 . ? -10.675 7.059 24.806 1.00 48.45 ? 3534 HOH A O 1 HETATM 3510 O O . HOH L 6 . ? -37.291 -8.486 17.033 1.00 52.13 ? 3535 HOH A O 1 HETATM 3511 O O . HOH L 6 . ? -24.497 -26.279 -2.225 1.00 62.91 ? 3536 HOH A O 1 HETATM 3512 O O . HOH L 6 . ? -3.817 -5.091 27.607 1.00 40.79 ? 3537 HOH A O 1 HETATM 3513 O O . HOH L 6 . ? -43.082 4.934 4.725 1.00 60.06 ? 3538 HOH A O 1 HETATM 3514 O O . HOH L 6 . ? -41.823 7.098 3.403 1.00 43.44 ? 3539 HOH A O 1 HETATM 3515 O O . HOH L 6 . ? -16.268 19.152 -16.059 1.00 46.37 ? 3540 HOH A O 1 HETATM 3516 O O . HOH L 6 . ? -17.779 22.542 11.728 1.00 51.71 ? 3541 HOH A O 1 HETATM 3517 O O . HOH L 6 . ? -21.948 -0.997 -14.557 1.00 49.58 ? 3542 HOH A O 1 HETATM 3518 O O . HOH L 6 . ? -1.136 8.881 -7.458 1.00 64.75 ? 3543 HOH A O 1 HETATM 3519 O O . HOH L 6 . ? -27.560 -22.361 28.428 1.00 44.26 ? 3544 HOH A O 1 HETATM 3520 O O . HOH L 6 . ? -15.737 -2.841 -15.005 1.00 45.29 ? 3545 HOH A O 1 HETATM 3521 O O . HOH L 6 . ? -28.059 -24.294 10.210 1.00 44.37 ? 3546 HOH A O 1 HETATM 3522 O O . HOH L 6 . ? -27.372 13.713 11.790 1.00 66.02 ? 3547 HOH A O 1 HETATM 3523 O O . HOH L 6 . ? -25.255 2.724 32.009 1.00 55.70 ? 3548 HOH A O 1 HETATM 3524 O O . HOH L 6 . ? -21.582 15.891 11.386 1.00 48.08 ? 3549 HOH A O 1 HETATM 3525 O O . HOH L 6 . ? -27.997 -15.789 32.937 1.00 58.20 ? 3550 HOH A O 1 HETATM 3526 O O . HOH L 6 . ? -10.844 20.412 4.382 1.00 76.47 ? 3551 HOH A O 1 HETATM 3527 O O . HOH L 6 . ? -41.895 -16.730 25.806 1.00 57.80 ? 3552 HOH A O 1 HETATM 3528 O O . HOH L 6 . ? -21.774 -18.256 -6.715 1.00 46.36 ? 3553 HOH A O 1 HETATM 3529 O O . HOH L 6 . ? -34.454 -19.760 22.976 1.00 55.13 ? 3554 HOH A O 1 HETATM 3530 O O . HOH L 6 . ? -24.682 -24.298 12.166 1.00 49.27 ? 3555 HOH A O 1 HETATM 3531 O O . HOH L 6 . ? -42.140 -16.630 31.004 1.00 58.95 ? 3556 HOH A O 1 HETATM 3532 O O . HOH L 6 . ? -18.057 9.568 13.509 1.00 52.54 ? 3557 HOH A O 1 HETATM 3533 O O . HOH L 6 . ? -23.563 15.942 9.638 1.00 63.49 ? 3558 HOH A O 1 HETATM 3534 O O . HOH L 6 . ? -34.915 15.439 -2.614 1.00 48.79 ? 3559 HOH A O 1 HETATM 3535 O O . HOH L 6 . ? -42.429 1.938 21.767 1.00 69.75 ? 3560 HOH A O 1 HETATM 3536 O O . HOH L 6 . ? -18.388 5.387 21.692 1.00 56.62 ? 3561 HOH A O 1 HETATM 3537 O O . HOH L 6 . ? -18.583 24.471 4.723 1.00 82.05 ? 3562 HOH A O 1 HETATM 3538 O O . HOH L 6 . ? -31.548 7.866 9.237 1.00 69.22 ? 3563 HOH A O 1 HETATM 3539 O O . HOH L 6 . ? -23.119 -18.773 -9.207 1.00 59.30 ? 3564 HOH A O 1 HETATM 3540 O O . HOH L 6 . ? -18.578 16.656 -19.038 1.00 53.18 ? 3565 HOH A O 1 HETATM 3541 O O . HOH L 6 . ? -4.761 -6.183 -13.704 1.00 65.70 ? 3566 HOH A O 1 HETATM 3542 O O . HOH L 6 . ? -19.949 7.303 15.810 1.00 59.31 ? 3567 HOH A O 1 HETATM 3543 O O . HOH L 6 . ? -42.858 -3.919 22.163 1.00 56.66 ? 3568 HOH A O 1 HETATM 3544 O O . HOH L 6 . ? -40.336 -6.794 -8.877 1.00 60.53 ? 3569 HOH A O 1 HETATM 3545 O O . HOH L 6 . ? -15.721 -21.753 19.069 1.00 66.89 ? 3570 HOH A O 1 HETATM 3546 O O . HOH L 6 . ? -37.333 -18.804 3.941 1.00 44.10 ? 3571 HOH A O 1 HETATM 3547 O O . HOH L 6 . ? -38.813 -0.590 27.060 1.00 55.67 ? 3572 HOH A O 1 HETATM 3548 O O . HOH L 6 . ? -13.355 -5.964 -11.430 1.00 61.43 ? 3573 HOH A O 1 HETATM 3549 O O . HOH L 6 . ? -20.101 24.388 -4.990 1.00 41.57 ? 3574 HOH A O 1 HETATM 3550 O O . HOH L 6 . ? -33.344 17.632 0.875 1.00 40.28 ? 3575 HOH A O 1 HETATM 3551 O O . HOH L 6 . ? -35.046 -16.437 33.588 1.00 63.99 ? 3576 HOH A O 1 HETATM 3552 O O . HOH L 6 . ? -13.835 17.314 -17.957 1.00 45.69 ? 3577 HOH A O 1 HETATM 3553 O O . HOH L 6 . ? -2.909 -0.154 21.200 1.00 51.49 ? 3578 HOH A O 1 HETATM 3554 O O . HOH L 6 . ? -27.500 0.755 14.240 1.00 64.39 ? 3579 HOH A O 1 HETATM 3555 O O . HOH L 6 . ? -3.756 2.223 -8.572 1.00 46.63 ? 3580 HOH A O 1 HETATM 3556 O O . HOH L 6 . ? -7.665 -15.737 8.093 1.00 43.77 ? 3581 HOH A O 1 HETATM 3557 O O . HOH L 6 . ? -19.696 7.230 24.382 1.00 50.51 ? 3582 HOH A O 1 HETATM 3558 O O . HOH L 6 . ? -44.224 -2.866 3.069 1.00 55.70 ? 3583 HOH A O 1 HETATM 3559 O O . HOH L 6 . ? -16.140 13.293 14.420 1.00 56.13 ? 3584 HOH A O 1 HETATM 3560 O O . HOH L 6 . ? -41.088 4.303 19.639 1.00 72.92 ? 3585 HOH A O 1 HETATM 3561 O O . HOH L 6 . ? -16.815 7.613 18.612 1.00 37.68 ? 3586 HOH A O 1 HETATM 3562 O O . HOH L 6 . ? -47.227 -21.409 16.606 1.00 70.30 ? 3587 HOH A O 1 HETATM 3563 O O . HOH L 6 . ? -23.007 -11.274 -15.521 1.00 70.55 ? 3588 HOH A O 1 HETATM 3564 O O . HOH L 6 . ? -28.118 1.827 29.244 1.00 42.23 ? 3589 HOH A O 1 HETATM 3565 O O . HOH L 6 . ? -8.202 -2.364 -16.370 1.00 59.75 ? 3590 HOH A O 1 HETATM 3566 O O . HOH L 6 . ? -14.671 2.365 30.600 1.00 54.91 ? 3591 HOH A O 1 HETATM 3567 O O . HOH L 6 . ? -46.758 -8.579 11.828 1.00 67.31 ? 3592 HOH A O 1 HETATM 3568 O O . HOH L 6 . ? -28.767 -17.869 -8.473 1.00 76.03 ? 3593 HOH A O 1 HETATM 3569 O O . HOH L 6 . ? -10.180 17.813 11.977 1.00 50.01 ? 3594 HOH A O 1 HETATM 3570 O O . HOH L 6 . ? -4.537 -1.050 16.598 1.00 23.77 ? 3595 HOH A O 1 HETATM 3571 O O . HOH L 6 . ? -20.842 24.840 -1.814 1.00 40.32 ? 3596 HOH A O 1 HETATM 3572 O O . HOH L 6 . ? -21.483 -14.448 -8.248 1.00 42.86 ? 3597 HOH A O 1 HETATM 3573 O O . HOH L 6 . ? -22.217 -21.311 22.018 1.00 51.35 ? 3598 HOH A O 1 HETATM 3574 O O . HOH L 6 . ? -34.152 2.874 23.302 1.00 49.67 ? 3599 HOH A O 1 HETATM 3575 O O . HOH L 6 . ? -10.548 -22.148 14.316 1.00 52.05 ? 3600 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 1 1 TYR TYR A . n A 1 2 LYS 2 2 2 LYS LYS A . n A 1 3 LEU 3 3 3 LEU LEU A . n A 1 4 ILE 4 4 4 ILE ILE A . n A 1 5 CYS 5 5 5 CYS CYS A . n A 1 6 TYR 6 6 6 TYR TYR A . n A 1 7 TYR 7 7 7 TYR TYR A . n A 1 8 THR 8 8 8 THR THR A . n A 1 9 SER 9 9 9 SER SER A . n A 1 10 TRP 10 10 10 TRP TRP A . n A 1 11 SER 11 11 11 SER SER A . n A 1 12 GLN 12 12 12 GLN GLN A . n A 1 13 TYR 13 13 13 TYR TYR A . n A 1 14 ARG 14 14 14 ARG ARG A . n A 1 15 GLU 15 15 15 GLU GLU A . n A 1 16 GLY 16 16 16 GLY GLY A . n A 1 17 ASP 17 17 17 ASP ASP A . n A 1 18 GLY 18 18 18 GLY GLY A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 CYS 20 20 20 CYS CYS A . n A 1 21 PHE 21 21 21 PHE PHE A . n A 1 22 PRO 22 22 22 PRO PRO A . n A 1 23 ASP 23 23 23 ASP ASP A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 ILE 25 25 25 ILE ILE A . n A 1 26 ASP 26 26 26 ASP ASP A . n A 1 27 PRO 27 27 27 PRO PRO A . n A 1 28 PHE 28 28 28 PHE PHE A . n A 1 29 LEU 29 29 29 LEU LEU A . n A 1 30 CYS 30 30 30 CYS CYS A . n A 1 31 THR 31 31 31 THR THR A . n A 1 32 HIS 32 32 32 HIS HIS A . n A 1 33 VAL 33 33 33 VAL VAL A . n A 1 34 ILE 34 34 34 ILE ILE A . n A 1 35 TYR 35 35 35 TYR TYR A . n A 1 36 THR 36 36 36 THR THR A . n A 1 37 PHE 37 37 37 PHE PHE A . n A 1 38 ALA 38 38 38 ALA ALA A . n A 1 39 ASN 39 39 39 ASN ASN A . n A 1 40 ILE 40 40 40 ILE ILE A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ASN 42 42 42 ASN ASN A . n A 1 43 ASN 43 43 43 ASN ASN A . n A 1 44 GLU 44 44 44 GLU GLU A . n A 1 45 ILE 45 45 45 ILE ILE A . n A 1 46 ASP 46 46 46 ASP ASP A . n A 1 47 THR 47 47 47 THR THR A . n A 1 48 TRP 48 48 48 TRP TRP A . n A 1 49 GLU 49 49 49 GLU GLU A . n A 1 50 TRP 50 50 50 TRP TRP A . n A 1 51 ASN 51 51 51 ASN ASN A . n A 1 52 ASP 52 52 52 ASP ASP A . n A 1 53 VAL 53 53 53 VAL VAL A . n A 1 54 THR 54 54 54 THR THR A . n A 1 55 LEU 55 55 55 LEU LEU A . n A 1 56 TYR 56 56 56 TYR TYR A . n A 1 57 ASP 57 57 57 ASP ASP A . n A 1 58 THR 58 58 58 THR THR A . n A 1 59 LEU 59 59 59 LEU LEU A . n A 1 60 ASN 60 60 60 ASN ASN A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 LYS 63 63 63 LYS LYS A . n A 1 64 ASN 64 64 64 ASN ASN A . n A 1 65 ARG 65 65 65 ARG ARG A . n A 1 66 ASN 66 66 66 ASN ASN A . n A 1 67 PRO 67 67 67 PRO PRO A . n A 1 68 LYS 68 68 68 LYS LYS A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 LYS 70 70 70 LYS LYS A . n A 1 71 THR 71 71 71 THR THR A . n A 1 72 LEU 72 72 72 LEU LEU A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 SER 74 74 74 SER SER A . n A 1 75 VAL 75 75 75 VAL VAL A . n A 1 76 GLY 76 76 76 GLY GLY A . n A 1 77 GLY 77 77 77 GLY GLY A . n A 1 78 TRP 78 78 78 TRP TRP A . n A 1 79 ASN 79 79 79 ASN ASN A . n A 1 80 PHE 80 80 80 PHE PHE A . n A 1 81 GLY 81 81 81 GLY GLY A . n A 1 82 PRO 82 82 82 PRO PRO A . n A 1 83 GLU 83 83 83 GLU GLU A . n A 1 84 ARG 84 84 84 ARG ARG A . n A 1 85 PHE 85 85 85 PHE PHE A . n A 1 86 SER 86 86 86 SER SER A . n A 1 87 LYS 87 87 87 LYS LYS A . n A 1 88 ILE 88 88 88 ILE ILE A . n A 1 89 ALA 89 89 89 ALA ALA A . n A 1 90 SER 90 90 90 SER SER A . n A 1 91 LYS 91 91 91 LYS LYS A . n A 1 92 THR 92 92 92 THR THR A . n A 1 93 GLN 93 93 93 GLN GLN A . n A 1 94 SER 94 94 94 SER SER A . n A 1 95 ARG 95 95 95 ARG ARG A . n A 1 96 ARG 96 96 96 ARG ARG A . n A 1 97 THR 97 97 97 THR THR A . n A 1 98 PHE 98 98 98 PHE PHE A . n A 1 99 ILE 99 99 99 ILE ILE A . n A 1 100 LYS 100 100 100 LYS LYS A . n A 1 101 SER 101 101 101 SER SER A . n A 1 102 VAL 102 102 102 VAL VAL A . n A 1 103 PRO 103 103 103 PRO PRO A . n A 1 104 PRO 104 104 104 PRO PRO A . n A 1 105 PHE 105 105 105 PHE PHE A . n A 1 106 LEU 106 106 106 LEU LEU A . n A 1 107 ARG 107 107 107 ARG ARG A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 HIS 109 109 109 HIS HIS A . n A 1 110 GLY 110 110 110 GLY GLY A . n A 1 111 PHE 111 111 111 PHE PHE A . n A 1 112 ASP 112 112 112 ASP ASP A . n A 1 113 GLY 113 113 113 GLY GLY A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 ASP 115 115 115 ASP ASP A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 TRP 118 118 118 TRP TRP A . n A 1 119 LEU 119 119 119 LEU LEU A . n A 1 120 TYR 120 120 120 TYR TYR A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 ARG 123 123 123 ARG ARG A . n A 1 124 ARG 124 124 124 ARG ARG A . n A 1 125 ASP 125 125 125 ASP ASP A . n A 1 126 LYS 126 126 126 LYS LYS A . n A 1 127 ARG 127 127 127 ARG ARG A . n A 1 128 HIS 128 128 128 HIS HIS A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 THR 130 130 130 THR THR A . n A 1 131 THR 131 131 131 THR THR A . n A 1 132 LEU 132 132 132 LEU LEU A . n A 1 133 VAL 133 133 133 VAL VAL A . n A 1 134 LYS 134 134 134 LYS LYS A . n A 1 135 GLU 135 135 135 GLU GLU A . n A 1 136 MET 136 136 136 MET MET A . n A 1 137 LYS 137 137 137 LYS LYS A . n A 1 138 ALA 138 138 138 ALA ALA A . n A 1 139 GLU 139 139 139 GLU GLU A . n A 1 140 PHE 140 140 140 PHE PHE A . n A 1 141 ILE 141 141 141 ILE ILE A . n A 1 142 ARG 142 142 142 ARG ARG A . n A 1 143 GLU 143 143 143 GLU GLU A . n A 1 144 ALA 144 144 144 ALA ALA A . n A 1 145 GLN 145 145 145 GLN GLN A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 GLY 147 147 147 GLY GLY A . n A 1 148 THR 148 148 148 THR THR A . n A 1 149 GLU 149 149 149 GLU GLU A . n A 1 150 GLN 150 150 150 GLN GLN A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 LEU 153 153 153 LEU LEU A . n A 1 154 SER 154 154 154 SER SER A . n A 1 155 ALA 155 155 155 ALA ALA A . n A 1 156 ALA 156 156 156 ALA ALA A . n A 1 157 VAL 157 157 157 VAL VAL A . n A 1 158 SER 158 158 158 SER SER A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 GLY 160 160 160 GLY GLY A . n A 1 161 LYS 161 161 161 LYS LYS A . n A 1 162 ILE 162 162 162 ILE ILE A . n A 1 163 ALA 163 163 163 ALA ALA A . n A 1 164 ILE 164 164 164 ILE ILE A . n A 1 165 ASP 165 165 165 ASP ASP A . n A 1 166 ARG 166 166 166 ARG ARG A . n A 1 167 GLY 167 167 167 GLY GLY A . n A 1 168 TYR 168 168 168 TYR TYR A . n A 1 169 ASP 169 169 169 ASP ASP A . n A 1 170 ILE 170 170 170 ILE ILE A . n A 1 171 ALA 171 171 171 ALA ALA A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 ILE 173 173 173 ILE ILE A . n A 1 174 SER 174 174 174 SER SER A . n A 1 175 ARG 175 175 175 ARG ARG A . n A 1 176 HIS 176 176 176 HIS HIS A . n A 1 177 LEU 177 177 177 LEU LEU A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 PHE 179 179 179 PHE PHE A . n A 1 180 ILE 180 180 180 ILE ILE A . n A 1 181 SER 181 181 181 SER SER A . n A 1 182 LEU 182 182 182 LEU LEU A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 THR 184 184 184 THR THR A . n A 1 185 TYR 185 185 185 TYR TYR A . n A 1 186 ASP 186 186 186 ASP ASP A . n A 1 187 PHE 187 187 187 PHE PHE A . n A 1 188 HIS 188 188 188 HIS HIS A . n A 1 189 GLY 189 189 189 GLY GLY A . n A 1 190 ALA 190 190 190 ALA ALA A . n A 1 191 TRP 191 191 191 TRP TRP A . n A 1 192 ARG 192 192 192 ARG ARG A . n A 1 193 GLN 193 193 193 GLN GLN A . n A 1 194 THR 194 194 194 THR THR A . n A 1 195 VAL 195 195 195 VAL VAL A . n A 1 196 GLY 196 196 196 GLY GLY A . n A 1 197 HIS 197 197 197 HIS HIS A . n A 1 198 HIS 198 198 198 HIS HIS A . n A 1 199 SER 199 199 199 SER SER A . n A 1 200 PRO 200 200 200 PRO PRO A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 PHE 202 202 202 PHE PHE A . n A 1 203 ARG 203 203 203 ARG ARG A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 GLU 206 206 206 GLU GLU A . n A 1 207 ASP 207 207 207 ASP ASP A . n A 1 208 ALA 208 208 208 ALA ALA A . n A 1 209 SER 209 209 209 SER SER A . n A 1 210 SER 210 210 210 SER SER A . n A 1 211 ARG 211 212 212 ARG ARG A . n A 1 212 PHE 212 213 213 PHE PHE A . n A 1 213 SER 213 214 214 SER SER A . n A 1 214 ASN 214 215 215 ASN ASN A . n A 1 215 ALA 215 216 216 ALA ALA A . n A 1 216 ASP 216 217 217 ASP ASP A . n A 1 217 TYR 217 218 218 TYR TYR A . n A 1 218 ALA 218 219 219 ALA ALA A . n A 1 219 VAL 219 220 220 VAL VAL A . n A 1 220 SER 220 221 221 SER SER A . n A 1 221 TYR 221 222 222 TYR TYR A . n A 1 222 MET 222 223 223 MET MET A . n A 1 223 LEU 223 224 224 LEU LEU A . n A 1 224 ARG 224 225 225 ARG ARG A . n A 1 225 LEU 225 226 226 LEU LEU A . n A 1 226 GLY 226 227 227 GLY GLY A . n A 1 227 ALA 227 228 228 ALA ALA A . n A 1 228 PRO 228 229 229 PRO PRO A . n A 1 229 ALA 229 230 230 ALA ALA A . n A 1 230 ASN 230 231 231 ASN ASN A . n A 1 231 LYS 231 232 232 LYS LYS A . n A 1 232 LEU 232 233 233 LEU LEU A . n A 1 233 VAL 233 234 234 VAL VAL A . n A 1 234 MET 234 235 235 MET MET A . n A 1 235 GLY 235 236 236 GLY GLY A . n A 1 236 ILE 236 237 237 ILE ILE A . n A 1 237 PRO 237 238 238 PRO PRO A . n A 1 238 THR 238 239 239 THR THR A . n A 1 239 PHE 239 240 240 PHE PHE A . n A 1 240 GLY 240 241 241 GLY GLY A . n A 1 241 ARG 241 242 242 ARG ARG A . n A 1 242 SER 242 243 243 SER SER A . n A 1 243 PHE 243 244 244 PHE PHE A . n A 1 244 THR 244 245 245 THR THR A . n A 1 245 LEU 245 246 246 LEU LEU A . n A 1 246 ALA 246 247 247 ALA ALA A . n A 1 247 SER 247 248 248 SER SER A . n A 1 248 SER 248 249 249 SER SER A . n A 1 249 LYS 249 250 250 LYS LYS A . n A 1 250 THR 250 251 251 THR THR A . n A 1 251 ASP 251 252 252 ASP ASP A . n A 1 252 VAL 252 253 253 VAL VAL A . n A 1 253 GLY 253 254 254 GLY GLY A . n A 1 254 ALA 254 255 255 ALA ALA A . n A 1 255 PRO 255 256 256 PRO PRO A . n A 1 256 VAL 256 257 257 VAL VAL A . n A 1 257 SER 257 258 258 SER SER A . n A 1 258 GLY 258 259 259 GLY GLY A . n A 1 259 PRO 259 260 260 PRO PRO A . n A 1 260 GLY 260 261 261 GLY GLY A . n A 1 261 ILE 261 262 262 ILE ILE A . n A 1 262 PRO 262 263 263 PRO PRO A . n A 1 263 GLY 263 264 264 GLY GLY A . n A 1 264 ARG 264 265 265 ARG ARG A . n A 1 265 PHE 265 266 266 PHE PHE A . n A 1 266 THR 266 267 267 THR THR A . n A 1 267 LYS 267 268 268 LYS LYS A . n A 1 268 GLU 268 269 269 GLU GLU A . n A 1 269 LYS 269 270 270 LYS LYS A . n A 1 270 GLY 270 271 271 GLY GLY A . n A 1 271 ILE 271 272 272 ILE ILE A . n A 1 272 LEU 272 273 273 LEU LEU A . n A 1 273 ALA 273 274 274 ALA ALA A . n A 1 274 TYR 274 275 275 TYR TYR A . n A 1 275 TYR 275 276 276 TYR TYR A . n A 1 276 GLU 276 277 277 GLU GLU A . n A 1 277 ILE 277 278 278 ILE ILE A . n A 1 278 CYS 278 279 279 CYS CYS A . n A 1 279 ASP 279 280 280 ASP ASP A . n A 1 280 PHE 280 281 281 PHE PHE A . n A 1 281 LEU 281 282 282 LEU LEU A . n A 1 282 HIS 282 283 283 HIS HIS A . n A 1 283 GLY 283 284 284 GLY GLY A . n A 1 284 ALA 284 285 285 ALA ALA A . n A 1 285 THR 285 286 286 THR THR A . n A 1 286 THR 286 287 287 THR THR A . n A 1 287 HIS 287 288 288 HIS HIS A . n A 1 288 ARG 288 289 289 ARG ARG A . n A 1 289 PHE 289 290 290 PHE PHE A . n A 1 290 ARG 290 291 291 ARG ARG A . n A 1 291 ASP 291 292 292 ASP ASP A . n A 1 292 GLN 292 293 293 GLN GLN A . n A 1 293 GLN 293 294 294 GLN GLN A . n A 1 294 VAL 294 295 295 VAL VAL A . n A 1 295 PRO 295 296 296 PRO PRO A . n A 1 296 TYR 296 297 297 TYR TYR A . n A 1 297 ALA 297 298 298 ALA ALA A . n A 1 298 THR 298 299 299 THR THR A . n A 1 299 LYS 299 300 300 LYS LYS A . n A 1 300 GLY 300 301 301 GLY GLY A . n A 1 301 ASN 301 302 302 ASN ASN A . n A 1 302 GLN 302 303 303 GLN GLN A . n A 1 303 TRP 303 304 304 TRP TRP A . n A 1 304 VAL 304 305 305 VAL VAL A . n A 1 305 ALA 305 306 306 ALA ALA A . n A 1 306 TYR 306 307 307 TYR TYR A . n A 1 307 ASP 307 308 308 ASP ASP A . n A 1 308 ASP 308 309 309 ASP ASP A . n A 1 309 GLN 309 310 310 GLN GLN A . n A 1 310 GLU 310 311 311 GLU GLU A . n A 1 311 SER 311 312 312 SER SER A . n A 1 312 VAL 312 313 313 VAL VAL A . n A 1 313 LYS 313 314 314 LYS LYS A . n A 1 314 ASN 314 315 315 ASN ASN A . n A 1 315 LYS 315 316 316 LYS LYS A . n A 1 316 ALA 316 317 317 ALA ALA A . n A 1 317 ARG 317 318 318 ARG ARG A . n A 1 318 TYR 318 319 319 TYR TYR A . n A 1 319 LEU 319 320 320 LEU LEU A . n A 1 320 LYS 320 321 321 LYS LYS A . n A 1 321 ASN 321 322 322 ASN ASN A . n A 1 322 ARG 322 323 323 ARG ARG A . n A 1 323 GLN 323 324 324 GLN GLN A . n A 1 324 LEU 324 325 325 LEU LEU A . n A 1 325 ALA 325 326 326 ALA ALA A . n A 1 326 GLY 326 327 327 GLY GLY A . n A 1 327 ALA 327 328 328 ALA ALA A . n A 1 328 MET 328 329 329 MET MET A . n A 1 329 VAL 329 330 330 VAL VAL A . n A 1 330 TRP 330 331 331 TRP TRP A . n A 1 331 ALA 331 332 332 ALA ALA A . n A 1 332 LEU 332 333 333 LEU LEU A . n A 1 333 ASP 333 334 334 ASP ASP A . n A 1 334 LEU 334 335 335 LEU LEU A . n A 1 335 ASP 335 336 336 ASP ASP A . n A 1 336 ASP 336 337 337 ASP ASP A . n A 1 337 PHE 337 338 338 PHE PHE A . n A 1 338 ARG 338 339 339 ARG ARG A . n A 1 339 GLY 339 340 340 GLY GLY A . n A 1 340 THR 340 341 341 THR THR A . n A 1 341 PHE 341 342 342 PHE PHE A . n A 1 342 CYS 342 343 343 CYS CYS A . n A 1 343 GLY 343 344 344 GLY GLY A . n A 1 344 GLN 344 345 345 GLN GLN A . n A 1 345 ASN 345 346 346 ASN ASN A . n A 1 346 LEU 346 347 347 LEU LEU A . n A 1 347 THR 347 348 348 THR THR A . n A 1 348 PHE 348 349 349 PHE PHE A . n A 1 349 PRO 349 350 350 PRO PRO A . n A 1 350 LEU 350 351 351 LEU LEU A . n A 1 351 THR 351 352 352 THR THR A . n A 1 352 SER 352 353 353 SER SER A . n A 1 353 ALA 353 354 354 ALA ALA A . n A 1 354 VAL 354 355 355 VAL VAL A . n A 1 355 LYS 355 356 356 LYS LYS A . n A 1 356 ASP 356 357 357 ASP ASP A . n A 1 357 VAL 357 358 358 VAL VAL A . n A 1 358 LEU 358 359 359 LEU LEU A . n A 1 359 ALA 359 360 360 ALA ALA A . n A 1 360 GLU 360 361 361 GLU GLU A . n A 1 361 ALA 361 362 362 ALA ALA A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 363 1 NAG NAG A . C 2 NAG 2 364 2 NAG NAG A . D 3 MAN 3 365 3 MAN MAN A . E 3 MAN 4 366 4 MAN MAN A . F 3 MAN 5 367 5 MAN MAN A . G 4 MPD 1 1001 1 MPD MPD A . H 4 MPD 1 1002 2 MPD MPD A . I 5 EOH 1 3012 3012 EOH EOH A . J 5 EOH 1 3013 3013 EOH EOH A . K 5 EOH 1 3014 3014 EOH EOH A . L 6 HOH 1 3015 1 HOH HOH A . L 6 HOH 2 3016 2 HOH HOH A . L 6 HOH 3 3017 3 HOH HOH A . L 6 HOH 4 3018 4 HOH HOH A . L 6 HOH 5 3019 5 HOH HOH A . L 6 HOH 6 3020 6 HOH HOH A . L 6 HOH 7 3021 7 HOH HOH A . L 6 HOH 8 3022 8 HOH HOH A . L 6 HOH 9 3023 9 HOH HOH A . L 6 HOH 10 3024 10 HOH HOH A . L 6 HOH 11 3025 11 HOH HOH A . L 6 HOH 12 3026 12 HOH HOH A . L 6 HOH 13 3027 13 HOH HOH A . L 6 HOH 14 3028 14 HOH HOH A . L 6 HOH 15 3029 15 HOH HOH A . L 6 HOH 16 3030 16 HOH HOH A . L 6 HOH 17 3031 17 HOH HOH A . L 6 HOH 18 3032 18 HOH HOH A . L 6 HOH 19 3033 19 HOH HOH A . L 6 HOH 20 3034 20 HOH HOH A . L 6 HOH 21 3035 21 HOH HOH A . L 6 HOH 22 3036 22 HOH HOH A . L 6 HOH 23 3037 23 HOH HOH A . L 6 HOH 24 3038 24 HOH HOH A . L 6 HOH 25 3039 25 HOH HOH A . L 6 HOH 26 3040 26 HOH HOH A . L 6 HOH 27 3041 27 HOH HOH A . L 6 HOH 28 3042 28 HOH HOH A . L 6 HOH 29 3043 29 HOH HOH A . L 6 HOH 30 3044 30 HOH HOH A . L 6 HOH 31 3045 31 HOH HOH A . L 6 HOH 32 3046 32 HOH HOH A . L 6 HOH 33 3047 33 HOH HOH A . L 6 HOH 34 3048 34 HOH HOH A . L 6 HOH 35 3049 35 HOH HOH A . L 6 HOH 36 3050 36 HOH HOH A . L 6 HOH 37 3051 37 HOH HOH A . L 6 HOH 38 3052 38 HOH HOH A . L 6 HOH 39 3053 39 HOH HOH A . L 6 HOH 40 3054 40 HOH HOH A . L 6 HOH 41 3055 41 HOH HOH A . L 6 HOH 42 3056 42 HOH HOH A . L 6 HOH 43 3057 43 HOH HOH A . L 6 HOH 44 3058 44 HOH HOH A . L 6 HOH 45 3059 45 HOH HOH A . L 6 HOH 46 3060 46 HOH HOH A . L 6 HOH 47 3061 47 HOH HOH A . L 6 HOH 48 3062 48 HOH HOH A . L 6 HOH 49 3063 49 HOH HOH A . L 6 HOH 50 3064 50 HOH HOH A . L 6 HOH 51 3065 51 HOH HOH A . L 6 HOH 52 3066 52 HOH HOH A . L 6 HOH 53 3067 53 HOH HOH A . L 6 HOH 54 3068 54 HOH HOH A . L 6 HOH 55 3069 55 HOH HOH A . L 6 HOH 56 3070 56 HOH HOH A . L 6 HOH 57 3071 57 HOH HOH A . L 6 HOH 58 3072 58 HOH HOH A . L 6 HOH 59 3073 59 HOH HOH A . L 6 HOH 60 3074 60 HOH HOH A . L 6 HOH 61 3075 61 HOH HOH A . L 6 HOH 62 3076 62 HOH HOH A . L 6 HOH 63 3077 63 HOH HOH A . L 6 HOH 64 3078 64 HOH HOH A . L 6 HOH 65 3079 65 HOH HOH A . L 6 HOH 66 3080 66 HOH HOH A . L 6 HOH 67 3081 67 HOH HOH A . L 6 HOH 68 3082 68 HOH HOH A . L 6 HOH 69 3083 69 HOH HOH A . L 6 HOH 70 3084 70 HOH HOH A . L 6 HOH 71 3085 71 HOH HOH A . L 6 HOH 72 3086 72 HOH HOH A . L 6 HOH 73 3087 73 HOH HOH A . L 6 HOH 74 3088 74 HOH HOH A . L 6 HOH 75 3089 75 HOH HOH A . L 6 HOH 76 3090 76 HOH HOH A . L 6 HOH 77 3091 77 HOH HOH A . L 6 HOH 78 3092 78 HOH HOH A . L 6 HOH 79 3093 79 HOH HOH A . L 6 HOH 80 3094 80 HOH HOH A . L 6 HOH 81 3095 81 HOH HOH A . L 6 HOH 82 3096 82 HOH HOH A . L 6 HOH 83 3097 83 HOH HOH A . L 6 HOH 84 3098 84 HOH HOH A . L 6 HOH 85 3099 85 HOH HOH A . L 6 HOH 86 3100 86 HOH HOH A . L 6 HOH 87 3101 87 HOH HOH A . L 6 HOH 88 3102 88 HOH HOH A . L 6 HOH 89 3103 89 HOH HOH A . L 6 HOH 90 3104 90 HOH HOH A . L 6 HOH 91 3105 91 HOH HOH A . L 6 HOH 92 3106 92 HOH HOH A . L 6 HOH 93 3107 93 HOH HOH A . L 6 HOH 94 3108 94 HOH HOH A . L 6 HOH 95 3109 95 HOH HOH A . L 6 HOH 96 3110 96 HOH HOH A . L 6 HOH 97 3111 97 HOH HOH A . L 6 HOH 98 3112 98 HOH HOH A . L 6 HOH 99 3113 99 HOH HOH A . L 6 HOH 100 3114 100 HOH HOH A . L 6 HOH 101 3115 101 HOH HOH A . L 6 HOH 102 3116 102 HOH HOH A . L 6 HOH 103 3117 103 HOH HOH A . L 6 HOH 104 3118 104 HOH HOH A . L 6 HOH 105 3119 105 HOH HOH A . L 6 HOH 106 3120 106 HOH HOH A . L 6 HOH 107 3121 107 HOH HOH A . L 6 HOH 108 3122 108 HOH HOH A . L 6 HOH 109 3123 109 HOH HOH A . L 6 HOH 110 3124 110 HOH HOH A . L 6 HOH 111 3125 111 HOH HOH A . L 6 HOH 112 3126 112 HOH HOH A . L 6 HOH 113 3127 113 HOH HOH A . L 6 HOH 114 3128 114 HOH HOH A . L 6 HOH 115 3129 115 HOH HOH A . L 6 HOH 116 3130 116 HOH HOH A . L 6 HOH 117 3131 117 HOH HOH A . L 6 HOH 118 3132 118 HOH HOH A . L 6 HOH 119 3133 119 HOH HOH A . L 6 HOH 120 3134 120 HOH HOH A . L 6 HOH 121 3135 121 HOH HOH A . L 6 HOH 122 3136 122 HOH HOH A . L 6 HOH 123 3137 123 HOH HOH A . L 6 HOH 124 3138 124 HOH HOH A . L 6 HOH 125 3139 125 HOH HOH A . L 6 HOH 126 3140 126 HOH HOH A . L 6 HOH 127 3141 127 HOH HOH A . L 6 HOH 128 3142 128 HOH HOH A . L 6 HOH 129 3143 129 HOH HOH A . L 6 HOH 130 3144 130 HOH HOH A . L 6 HOH 131 3145 131 HOH HOH A . L 6 HOH 132 3146 132 HOH HOH A . L 6 HOH 133 3147 133 HOH HOH A . L 6 HOH 134 3148 134 HOH HOH A . L 6 HOH 135 3149 135 HOH HOH A . L 6 HOH 136 3150 136 HOH HOH A . L 6 HOH 137 3151 137 HOH HOH A . L 6 HOH 138 3152 139 HOH HOH A . L 6 HOH 139 3153 140 HOH HOH A . L 6 HOH 140 3154 141 HOH HOH A . L 6 HOH 141 3155 142 HOH HOH A . L 6 HOH 142 3156 143 HOH HOH A . L 6 HOH 143 3157 144 HOH HOH A . L 6 HOH 144 3158 145 HOH HOH A . L 6 HOH 145 3159 146 HOH HOH A . L 6 HOH 146 3160 147 HOH HOH A . L 6 HOH 147 3161 148 HOH HOH A . L 6 HOH 148 3162 149 HOH HOH A . L 6 HOH 149 3163 150 HOH HOH A . L 6 HOH 150 3164 151 HOH HOH A . L 6 HOH 151 3165 152 HOH HOH A . L 6 HOH 152 3166 153 HOH HOH A . L 6 HOH 153 3167 154 HOH HOH A . L 6 HOH 154 3168 155 HOH HOH A . L 6 HOH 155 3169 156 HOH HOH A . L 6 HOH 156 3170 157 HOH HOH A . L 6 HOH 157 3171 158 HOH HOH A . L 6 HOH 158 3172 159 HOH HOH A . L 6 HOH 159 3173 160 HOH HOH A . L 6 HOH 160 3174 161 HOH HOH A . L 6 HOH 161 3175 162 HOH HOH A . L 6 HOH 162 3176 163 HOH HOH A . L 6 HOH 163 3177 164 HOH HOH A . L 6 HOH 164 3178 165 HOH HOH A . L 6 HOH 165 3179 166 HOH HOH A . L 6 HOH 166 3180 167 HOH HOH A . L 6 HOH 167 3181 168 HOH HOH A . L 6 HOH 168 3182 169 HOH HOH A . L 6 HOH 169 3183 170 HOH HOH A . L 6 HOH 170 3184 171 HOH HOH A . L 6 HOH 171 3185 172 HOH HOH A . L 6 HOH 172 3186 173 HOH HOH A . L 6 HOH 173 3187 174 HOH HOH A . L 6 HOH 174 3188 175 HOH HOH A . L 6 HOH 175 3189 176 HOH HOH A . L 6 HOH 176 3190 177 HOH HOH A . L 6 HOH 177 3191 178 HOH HOH A . L 6 HOH 178 3192 179 HOH HOH A . L 6 HOH 179 3193 180 HOH HOH A . L 6 HOH 180 3194 181 HOH HOH A . L 6 HOH 181 3195 182 HOH HOH A . L 6 HOH 182 3196 183 HOH HOH A . L 6 HOH 183 3197 184 HOH HOH A . L 6 HOH 184 3198 185 HOH HOH A . L 6 HOH 185 3199 186 HOH HOH A . L 6 HOH 186 3200 187 HOH HOH A . L 6 HOH 187 3201 188 HOH HOH A . L 6 HOH 188 3202 189 HOH HOH A . L 6 HOH 189 3203 190 HOH HOH A . L 6 HOH 190 3204 191 HOH HOH A . L 6 HOH 191 3205 192 HOH HOH A . L 6 HOH 192 3206 193 HOH HOH A . L 6 HOH 193 3207 194 HOH HOH A . L 6 HOH 194 3208 195 HOH HOH A . L 6 HOH 195 3209 196 HOH HOH A . L 6 HOH 196 3210 197 HOH HOH A . L 6 HOH 197 3211 198 HOH HOH A . L 6 HOH 198 3212 199 HOH HOH A . L 6 HOH 199 3213 200 HOH HOH A . L 6 HOH 200 3214 201 HOH HOH A . L 6 HOH 201 3215 202 HOH HOH A . L 6 HOH 202 3216 203 HOH HOH A . L 6 HOH 203 3217 204 HOH HOH A . L 6 HOH 204 3218 205 HOH HOH A . L 6 HOH 205 3219 206 HOH HOH A . L 6 HOH 206 3220 207 HOH HOH A . L 6 HOH 207 3221 208 HOH HOH A . L 6 HOH 208 3222 210 HOH HOH A . L 6 HOH 209 3223 211 HOH HOH A . L 6 HOH 210 3224 212 HOH HOH A . L 6 HOH 211 3225 213 HOH HOH A . L 6 HOH 212 3226 214 HOH HOH A . L 6 HOH 213 3227 215 HOH HOH A . L 6 HOH 214 3228 216 HOH HOH A . L 6 HOH 215 3229 217 HOH HOH A . L 6 HOH 216 3230 218 HOH HOH A . L 6 HOH 217 3231 219 HOH HOH A . L 6 HOH 218 3232 220 HOH HOH A . L 6 HOH 219 3233 221 HOH HOH A . L 6 HOH 220 3234 222 HOH HOH A . L 6 HOH 221 3235 223 HOH HOH A . L 6 HOH 222 3236 224 HOH HOH A . L 6 HOH 223 3237 225 HOH HOH A . L 6 HOH 224 3238 226 HOH HOH A . L 6 HOH 225 3239 227 HOH HOH A . L 6 HOH 226 3240 228 HOH HOH A . L 6 HOH 227 3241 229 HOH HOH A . L 6 HOH 228 3242 230 HOH HOH A . L 6 HOH 229 3243 231 HOH HOH A . L 6 HOH 230 3244 232 HOH HOH A . L 6 HOH 231 3245 233 HOH HOH A . L 6 HOH 232 3246 234 HOH HOH A . L 6 HOH 233 3247 235 HOH HOH A . L 6 HOH 234 3248 236 HOH HOH A . L 6 HOH 235 3249 237 HOH HOH A . L 6 HOH 236 3250 238 HOH HOH A . L 6 HOH 237 3251 239 HOH HOH A . L 6 HOH 238 3252 240 HOH HOH A . L 6 HOH 239 3253 241 HOH HOH A . L 6 HOH 240 3254 242 HOH HOH A . L 6 HOH 241 3255 243 HOH HOH A . L 6 HOH 242 3256 244 HOH HOH A . L 6 HOH 243 3257 245 HOH HOH A . L 6 HOH 244 3258 246 HOH HOH A . L 6 HOH 245 3259 247 HOH HOH A . L 6 HOH 246 3260 248 HOH HOH A . L 6 HOH 247 3261 249 HOH HOH A . L 6 HOH 248 3262 250 HOH HOH A . L 6 HOH 249 3263 251 HOH HOH A . L 6 HOH 250 3264 252 HOH HOH A . L 6 HOH 251 3265 253 HOH HOH A . L 6 HOH 252 3266 254 HOH HOH A . L 6 HOH 253 3267 255 HOH HOH A . L 6 HOH 254 3268 256 HOH HOH A . L 6 HOH 255 3269 257 HOH HOH A . L 6 HOH 256 3270 258 HOH HOH A . L 6 HOH 257 3271 259 HOH HOH A . L 6 HOH 258 3272 260 HOH HOH A . L 6 HOH 259 3273 261 HOH HOH A . L 6 HOH 260 3274 262 HOH HOH A . L 6 HOH 261 3275 263 HOH HOH A . L 6 HOH 262 3276 264 HOH HOH A . L 6 HOH 263 3277 265 HOH HOH A . L 6 HOH 264 3278 266 HOH HOH A . L 6 HOH 265 3279 267 HOH HOH A . L 6 HOH 266 3280 268 HOH HOH A . L 6 HOH 267 3281 269 HOH HOH A . L 6 HOH 268 3282 270 HOH HOH A . L 6 HOH 269 3283 271 HOH HOH A . L 6 HOH 270 3284 272 HOH HOH A . L 6 HOH 271 3285 273 HOH HOH A . L 6 HOH 272 3286 274 HOH HOH A . L 6 HOH 273 3287 275 HOH HOH A . L 6 HOH 274 3288 276 HOH HOH A . L 6 HOH 275 3289 277 HOH HOH A . L 6 HOH 276 3290 278 HOH HOH A . L 6 HOH 277 3291 279 HOH HOH A . L 6 HOH 278 3292 280 HOH HOH A . L 6 HOH 279 3293 281 HOH HOH A . L 6 HOH 280 3294 282 HOH HOH A . L 6 HOH 281 3295 283 HOH HOH A . L 6 HOH 282 3296 284 HOH HOH A . L 6 HOH 283 3297 285 HOH HOH A . L 6 HOH 284 3298 286 HOH HOH A . L 6 HOH 285 3299 287 HOH HOH A . L 6 HOH 286 3300 288 HOH HOH A . L 6 HOH 287 3301 289 HOH HOH A . L 6 HOH 288 3302 290 HOH HOH A . L 6 HOH 289 3303 291 HOH HOH A . L 6 HOH 290 3304 292 HOH HOH A . L 6 HOH 291 3305 293 HOH HOH A . L 6 HOH 292 3306 294 HOH HOH A . L 6 HOH 293 3307 295 HOH HOH A . L 6 HOH 294 3308 296 HOH HOH A . L 6 HOH 295 3309 297 HOH HOH A . L 6 HOH 296 3310 298 HOH HOH A . L 6 HOH 297 3311 299 HOH HOH A . L 6 HOH 298 3312 300 HOH HOH A . L 6 HOH 299 3313 301 HOH HOH A . L 6 HOH 300 3314 302 HOH HOH A . L 6 HOH 301 3315 303 HOH HOH A . L 6 HOH 302 3316 304 HOH HOH A . L 6 HOH 303 3317 305 HOH HOH A . L 6 HOH 304 3318 306 HOH HOH A . L 6 HOH 305 3319 308 HOH HOH A . L 6 HOH 306 3320 309 HOH HOH A . L 6 HOH 307 3321 310 HOH HOH A . L 6 HOH 308 3322 311 HOH HOH A . L 6 HOH 309 3323 312 HOH HOH A . L 6 HOH 310 3324 313 HOH HOH A . L 6 HOH 311 3325 314 HOH HOH A . L 6 HOH 312 3326 315 HOH HOH A . L 6 HOH 313 3327 316 HOH HOH A . L 6 HOH 314 3328 317 HOH HOH A . L 6 HOH 315 3329 318 HOH HOH A . L 6 HOH 316 3330 319 HOH HOH A . L 6 HOH 317 3331 320 HOH HOH A . L 6 HOH 318 3332 321 HOH HOH A . L 6 HOH 319 3333 322 HOH HOH A . L 6 HOH 320 3334 323 HOH HOH A . L 6 HOH 321 3335 324 HOH HOH A . L 6 HOH 322 3336 325 HOH HOH A . L 6 HOH 323 3337 326 HOH HOH A . L 6 HOH 324 3338 327 HOH HOH A . L 6 HOH 325 3339 328 HOH HOH A . L 6 HOH 326 3340 329 HOH HOH A . L 6 HOH 327 3341 330 HOH HOH A . L 6 HOH 328 3342 331 HOH HOH A . L 6 HOH 329 3343 332 HOH HOH A . L 6 HOH 330 3344 333 HOH HOH A . L 6 HOH 331 3345 334 HOH HOH A . L 6 HOH 332 3346 335 HOH HOH A . L 6 HOH 333 3347 336 HOH HOH A . L 6 HOH 334 3348 337 HOH HOH A . L 6 HOH 335 3349 338 HOH HOH A . L 6 HOH 336 3350 339 HOH HOH A . L 6 HOH 337 3351 340 HOH HOH A . L 6 HOH 338 3352 341 HOH HOH A . L 6 HOH 339 3353 342 HOH HOH A . L 6 HOH 340 3354 343 HOH HOH A . L 6 HOH 341 3355 344 HOH HOH A . L 6 HOH 342 3356 345 HOH HOH A . L 6 HOH 343 3357 346 HOH HOH A . L 6 HOH 344 3358 347 HOH HOH A . L 6 HOH 345 3359 348 HOH HOH A . L 6 HOH 346 3360 349 HOH HOH A . L 6 HOH 347 3361 350 HOH HOH A . L 6 HOH 348 3362 351 HOH HOH A . L 6 HOH 349 3363 352 HOH HOH A . L 6 HOH 350 3364 353 HOH HOH A . L 6 HOH 351 3365 354 HOH HOH A . L 6 HOH 352 3366 355 HOH HOH A . L 6 HOH 353 3367 356 HOH HOH A . L 6 HOH 354 3368 357 HOH HOH A . L 6 HOH 355 3369 358 HOH HOH A . L 6 HOH 356 3370 359 HOH HOH A . L 6 HOH 357 3371 360 HOH HOH A . L 6 HOH 358 3372 361 HOH HOH A . L 6 HOH 359 3373 362 HOH HOH A . L 6 HOH 360 3374 363 HOH HOH A . L 6 HOH 361 3375 364 HOH HOH A . L 6 HOH 362 3376 365 HOH HOH A . L 6 HOH 363 3377 366 HOH HOH A . L 6 HOH 364 3378 367 HOH HOH A . L 6 HOH 365 3379 368 HOH HOH A . L 6 HOH 366 3380 369 HOH HOH A . L 6 HOH 367 3381 370 HOH HOH A . L 6 HOH 368 3382 371 HOH HOH A . L 6 HOH 369 3383 372 HOH HOH A . L 6 HOH 370 3384 373 HOH HOH A . L 6 HOH 371 3385 374 HOH HOH A . L 6 HOH 372 3386 375 HOH HOH A . L 6 HOH 373 3387 376 HOH HOH A . L 6 HOH 374 3388 377 HOH HOH A . L 6 HOH 375 3389 378 HOH HOH A . L 6 HOH 376 3390 379 HOH HOH A . L 6 HOH 377 3391 380 HOH HOH A . L 6 HOH 378 3392 381 HOH HOH A . L 6 HOH 379 3393 382 HOH HOH A . L 6 HOH 380 3394 383 HOH HOH A . L 6 HOH 381 3395 384 HOH HOH A . L 6 HOH 382 3396 385 HOH HOH A . L 6 HOH 383 3397 386 HOH HOH A . L 6 HOH 384 3398 387 HOH HOH A . L 6 HOH 385 3399 388 HOH HOH A . L 6 HOH 386 3400 389 HOH HOH A . L 6 HOH 387 3401 390 HOH HOH A . L 6 HOH 388 3402 391 HOH HOH A . L 6 HOH 389 3403 392 HOH HOH A . L 6 HOH 390 3404 393 HOH HOH A . L 6 HOH 391 3405 394 HOH HOH A . L 6 HOH 392 3406 395 HOH HOH A . L 6 HOH 393 3407 396 HOH HOH A . L 6 HOH 394 3408 397 HOH HOH A . L 6 HOH 395 3409 398 HOH HOH A . L 6 HOH 396 3410 399 HOH HOH A . L 6 HOH 397 3411 400 HOH HOH A . L 6 HOH 398 3412 401 HOH HOH A . L 6 HOH 399 3413 402 HOH HOH A . L 6 HOH 400 3414 403 HOH HOH A . L 6 HOH 401 3415 404 HOH HOH A . L 6 HOH 402 3416 405 HOH HOH A . L 6 HOH 403 3417 406 HOH HOH A . L 6 HOH 404 3418 407 HOH HOH A . L 6 HOH 405 3419 408 HOH HOH A . L 6 HOH 406 3420 409 HOH HOH A . L 6 HOH 407 3421 410 HOH HOH A . L 6 HOH 408 3422 411 HOH HOH A . L 6 HOH 409 3423 412 HOH HOH A . L 6 HOH 410 3424 413 HOH HOH A . L 6 HOH 411 3425 414 HOH HOH A . L 6 HOH 412 3426 415 HOH HOH A . L 6 HOH 413 3427 416 HOH HOH A . L 6 HOH 414 3428 417 HOH HOH A . L 6 HOH 415 3429 418 HOH HOH A . L 6 HOH 416 3430 419 HOH HOH A . L 6 HOH 417 3431 420 HOH HOH A . L 6 HOH 418 3432 421 HOH HOH A . L 6 HOH 419 3433 422 HOH HOH A . L 6 HOH 420 3434 423 HOH HOH A . L 6 HOH 421 3435 424 HOH HOH A . L 6 HOH 422 3436 425 HOH HOH A . L 6 HOH 423 3437 426 HOH HOH A . L 6 HOH 424 3438 427 HOH HOH A . L 6 HOH 425 3439 428 HOH HOH A . L 6 HOH 426 3440 429 HOH HOH A . L 6 HOH 427 3441 430 HOH HOH A . L 6 HOH 428 3442 431 HOH HOH A . L 6 HOH 429 3443 432 HOH HOH A . L 6 HOH 430 3444 433 HOH HOH A . L 6 HOH 431 3445 434 HOH HOH A . L 6 HOH 432 3446 435 HOH HOH A . L 6 HOH 433 3447 436 HOH HOH A . L 6 HOH 434 3448 438 HOH HOH A . L 6 HOH 435 3449 439 HOH HOH A . L 6 HOH 436 3450 440 HOH HOH A . L 6 HOH 437 3451 441 HOH HOH A . L 6 HOH 438 3452 442 HOH HOH A . L 6 HOH 439 3453 443 HOH HOH A . L 6 HOH 440 3454 444 HOH HOH A . L 6 HOH 441 3455 445 HOH HOH A . L 6 HOH 442 3456 446 HOH HOH A . L 6 HOH 443 3457 447 HOH HOH A . L 6 HOH 444 3458 448 HOH HOH A . L 6 HOH 445 3459 449 HOH HOH A . L 6 HOH 446 3460 450 HOH HOH A . L 6 HOH 447 3461 451 HOH HOH A . L 6 HOH 448 3462 452 HOH HOH A . L 6 HOH 449 3463 453 HOH HOH A . L 6 HOH 450 3464 454 HOH HOH A . L 6 HOH 451 3465 455 HOH HOH A . L 6 HOH 452 3466 456 HOH HOH A . L 6 HOH 453 3467 457 HOH HOH A . L 6 HOH 454 3468 458 HOH HOH A . L 6 HOH 455 3469 459 HOH HOH A . L 6 HOH 456 3470 460 HOH HOH A . L 6 HOH 457 3471 461 HOH HOH A . L 6 HOH 458 3472 462 HOH HOH A . L 6 HOH 459 3473 463 HOH HOH A . L 6 HOH 460 3474 464 HOH HOH A . L 6 HOH 461 3475 465 HOH HOH A . L 6 HOH 462 3476 466 HOH HOH A . L 6 HOH 463 3477 467 HOH HOH A . L 6 HOH 464 3478 468 HOH HOH A . L 6 HOH 465 3479 469 HOH HOH A . L 6 HOH 466 3480 470 HOH HOH A . L 6 HOH 467 3481 471 HOH HOH A . L 6 HOH 468 3482 472 HOH HOH A . L 6 HOH 469 3483 473 HOH HOH A . L 6 HOH 470 3484 474 HOH HOH A . L 6 HOH 471 3485 475 HOH HOH A . L 6 HOH 472 3486 476 HOH HOH A . L 6 HOH 473 3487 477 HOH HOH A . L 6 HOH 474 3488 478 HOH HOH A . L 6 HOH 475 3489 479 HOH HOH A . L 6 HOH 476 3490 480 HOH HOH A . L 6 HOH 477 3491 481 HOH HOH A . L 6 HOH 478 3492 482 HOH HOH A . L 6 HOH 479 3493 483 HOH HOH A . L 6 HOH 480 3494 484 HOH HOH A . L 6 HOH 481 3495 485 HOH HOH A . L 6 HOH 482 3496 486 HOH HOH A . L 6 HOH 483 3497 487 HOH HOH A . L 6 HOH 484 3498 488 HOH HOH A . L 6 HOH 485 3499 489 HOH HOH A . L 6 HOH 486 3500 490 HOH HOH A . L 6 HOH 487 3501 491 HOH HOH A . L 6 HOH 488 3502 492 HOH HOH A . L 6 HOH 489 3503 493 HOH HOH A . L 6 HOH 490 3504 494 HOH HOH A . L 6 HOH 491 3505 495 HOH HOH A . L 6 HOH 492 3506 496 HOH HOH A . L 6 HOH 493 3507 497 HOH HOH A . L 6 HOH 494 3508 498 HOH HOH A . L 6 HOH 495 3509 499 HOH HOH A . L 6 HOH 496 3510 500 HOH HOH A . L 6 HOH 497 3511 501 HOH HOH A . L 6 HOH 498 3512 502 HOH HOH A . L 6 HOH 499 3513 503 HOH HOH A . L 6 HOH 500 3514 504 HOH HOH A . L 6 HOH 501 3515 505 HOH HOH A . L 6 HOH 502 3516 506 HOH HOH A . L 6 HOH 503 3517 507 HOH HOH A . L 6 HOH 504 3518 508 HOH HOH A . L 6 HOH 505 3519 509 HOH HOH A . L 6 HOH 506 3520 510 HOH HOH A . L 6 HOH 507 3521 511 HOH HOH A . L 6 HOH 508 3522 512 HOH HOH A . L 6 HOH 509 3523 513 HOH HOH A . L 6 HOH 510 3524 514 HOH HOH A . L 6 HOH 511 3525 515 HOH HOH A . L 6 HOH 512 3526 516 HOH HOH A . L 6 HOH 513 3527 517 HOH HOH A . L 6 HOH 514 3528 518 HOH HOH A . L 6 HOH 515 3529 519 HOH HOH A . L 6 HOH 516 3530 520 HOH HOH A . L 6 HOH 517 3531 521 HOH HOH A . L 6 HOH 518 3532 522 HOH HOH A . L 6 HOH 519 3533 523 HOH HOH A . L 6 HOH 520 3534 524 HOH HOH A . L 6 HOH 521 3535 525 HOH HOH A . L 6 HOH 522 3536 526 HOH HOH A . L 6 HOH 523 3537 527 HOH HOH A . L 6 HOH 524 3538 528 HOH HOH A . L 6 HOH 525 3539 529 HOH HOH A . L 6 HOH 526 3540 530 HOH HOH A . L 6 HOH 527 3541 531 HOH HOH A . L 6 HOH 528 3542 532 HOH HOH A . L 6 HOH 529 3543 533 HOH HOH A . L 6 HOH 530 3544 534 HOH HOH A . L 6 HOH 531 3545 535 HOH HOH A . L 6 HOH 532 3546 536 HOH HOH A . L 6 HOH 533 3547 537 HOH HOH A . L 6 HOH 534 3548 538 HOH HOH A . L 6 HOH 535 3549 539 HOH HOH A . L 6 HOH 536 3550 540 HOH HOH A . L 6 HOH 537 3551 541 HOH HOH A . L 6 HOH 538 3552 542 HOH HOH A . L 6 HOH 539 3553 543 HOH HOH A . L 6 HOH 540 3554 544 HOH HOH A . L 6 HOH 541 3555 545 HOH HOH A . L 6 HOH 542 3556 546 HOH HOH A . L 6 HOH 543 3557 547 HOH HOH A . L 6 HOH 544 3558 548 HOH HOH A . L 6 HOH 545 3559 549 HOH HOH A . L 6 HOH 546 3560 550 HOH HOH A . L 6 HOH 547 3561 551 HOH HOH A . L 6 HOH 548 3562 552 HOH HOH A . L 6 HOH 549 3563 553 HOH HOH A . L 6 HOH 550 3564 554 HOH HOH A . L 6 HOH 551 3565 555 HOH HOH A . L 6 HOH 552 3566 556 HOH HOH A . L 6 HOH 553 3567 557 HOH HOH A . L 6 HOH 554 3568 558 HOH HOH A . L 6 HOH 555 3569 559 HOH HOH A . L 6 HOH 556 3570 560 HOH HOH A . L 6 HOH 557 3571 561 HOH HOH A . L 6 HOH 558 3572 562 HOH HOH A . L 6 HOH 559 3573 563 HOH HOH A . L 6 HOH 560 3574 564 HOH HOH A . L 6 HOH 561 3575 565 HOH HOH A . L 6 HOH 562 3576 566 HOH HOH A . L 6 HOH 563 3577 567 HOH HOH A . L 6 HOH 564 3578 568 HOH HOH A . L 6 HOH 565 3579 569 HOH HOH A . L 6 HOH 566 3580 570 HOH HOH A . L 6 HOH 567 3581 571 HOH HOH A . L 6 HOH 568 3582 572 HOH HOH A . L 6 HOH 569 3583 573 HOH HOH A . L 6 HOH 570 3584 574 HOH HOH A . L 6 HOH 571 3585 575 HOH HOH A . L 6 HOH 572 3586 576 HOH HOH A . L 6 HOH 573 3587 577 HOH HOH A . L 6 HOH 574 3588 578 HOH HOH A . L 6 HOH 575 3589 579 HOH HOH A . L 6 HOH 576 3590 580 HOH HOH A . L 6 HOH 577 3591 581 HOH HOH A . L 6 HOH 578 3592 582 HOH HOH A . L 6 HOH 579 3593 583 HOH HOH A . L 6 HOH 580 3594 584 HOH HOH A . L 6 HOH 581 3595 585 HOH HOH A . L 6 HOH 582 3596 586 HOH HOH A . L 6 HOH 583 3597 587 HOH HOH A . L 6 HOH 584 3598 588 HOH HOH A . L 6 HOH 585 3599 589 HOH HOH A . L 6 HOH 586 3600 590 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 39 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 39 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L # _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_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 2007-05-01 2 'Structure model' 1 1 2008-05-01 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # 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' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.0 ? 1 HKL-2000 'data collection' . ? 2 DENZO 'data reduction' . ? 3 SCALEPACK 'data scaling' . ? 4 AMoRE phasing . ? 5 # _pdbx_entry_details.sequence_details ;THE SOURCE OF THE PROTEIN IS NATURAL BUT THE AUTHOR OBSERVED MUTATIONS AT THESE POSITIONS. THEREFORE, THE AUTHOR EXPECTS IT TO BE AN ISOFORM OF THE SAME PROTEIN. IN CHAIN A, RESIDUE NUMBER 211 IS SIMPLY SKIPPED. ; _pdbx_entry_details.entry_id 2PI6 _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? # 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 CB A ASP 23 ? ? CG A ASP 23 ? ? OD2 A ASP 23 ? ? 124.51 118.30 6.21 0.90 N 2 1 CB A ASP 178 ? ? CG A ASP 178 ? ? OD2 A ASP 178 ? ? 124.28 118.30 5.98 0.90 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 TRP A 48 ? ? -126.47 -62.64 2 1 ALA A 117 ? ? -119.38 67.16 3 1 TYR A 185 ? ? -155.94 28.45 4 1 SER A 209 ? ? -73.62 -80.57 5 1 ARG A 212 ? ? -68.35 20.65 6 1 VAL A 253 ? ? -33.45 125.27 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id C1 _pdbx_validate_chiral.label_alt_id ? _pdbx_validate_chiral.auth_asym_id A _pdbx_validate_chiral.auth_comp_id MAN _pdbx_validate_chiral.auth_seq_id 365 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details 'WRONG HAND' _pdbx_validate_chiral.omega . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-D-MANNOSE MAN 4 '(4S)-2-METHYL-2,4-PENTANEDIOL' MPD 5 ETHANOL EOH 6 water HOH #