data_8Z2Y
# 
_entry.id   8Z2Y 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8Z2Y         pdb_00008z2y 10.2210/pdb8z2y/pdb 
WWPDB D_1300046919 ?            ?                   
# 
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 2024-11-06 
2 'Structure model' 1 1 2025-01-29 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation.year'                    
5 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8Z2Y 
_pdbx_database_status.recvd_initial_deposition_date   2024-04-13 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              pbhaumik@iitb.ac.in 
_pdbx_contact_author.name_first         Prasenjit 
_pdbx_contact_author.name_last          Bhaumik 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-1257-9809 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Banerjee, B.'      1 0009-0005-1914-5108 
'Kamale, C.K.'      2 0000-0001-8023-6168 
'Suryawanshi, A.B.' 3 0000-0002-5016-7349 
'Bhaumik, P.'       4 0000-0003-1257-9809 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   NE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Febs Lett.' 
_citation.journal_id_ASTM           FEBLAL 
_citation.journal_id_CSD            0165 
_citation.journal_id_ISSN           0014-5793 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            599 
_citation.language                  ? 
_citation.page_first                53 
_citation.page_last                 73 
_citation.title                     
;Crystal structures of Aspergillus oryzae exo-beta-(1,3)-glucanase reveal insights into oligosaccharide binding, recognition, and hydrolysis.
;
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/1873-3468.15045 
_citation.pdbx_database_id_PubMed   39448541 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Banerjee, B.'      1 ? 
primary 'Kamale, C.K.'      2 ? 
primary 'Suryawanshi, A.B.' 3 ? 
primary 'Dasgupta, S.'      4 ? 
primary 'Noronha, S.'       5 ? 
primary 'Bhaumik, P.'       6 ? 
# 
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     man 'Glucan 1,3-beta-glucosidase A' 45242.180 1   3.2.1.58 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                  62.068    1   ?        ? ? ? 
3 non-polymer syn GLYCEROL                        92.094    2   ?        ? ? ? 
4 non-polymer man beta-D-glucopyranose            180.156   2   ?        ? ? ? 
5 non-polymer syn 'CHLORIDE ION'                  35.453    1   ?        ? ? ? 
6 non-polymer syn 'SODIUM ION'                    22.990    1   ?        ? ? ? 
7 water       nat water                           18.015    515 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Exo-1,3-beta-glucanase 1,3-beta-glucanase A' 
# 
_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       
;MLPLLLCIVPYCWSSRLDPRASSFDYNGEKVRGVNLGGWLVLEPWITPSIFDAAGAEAVDEWSLTKILGKEEAEARLSAH
WKSFVSAGDFQRMADAGLNHVRIPIGYWALGPLEGDPYVDGQLEYLDKAVEWAGAAGLKVLIDLHGAPGSQNGFDNSGRR
GAIQWQQGDTVEQTLDAFDLLAERYLGSDTVAAIEAINEPNIPGGVDQGKLQEYYGSVYGIVNKYNAGTSVVYGDGFLPV
ESWNGFKTEGSKVVMDTHHYHMFDNGLIAMDIDSHIDAVCQFAHQHLEASDKPVIVGEWTGAVTDCAKYLNGKGNGARYD
GSYAADKAIGDCSSLATGFVSKLSDEERSDMRRFIEAQLDAFELKSGWVFWTWKTEGAPGWDMSDLLEAGVFPTSPDDRE
FPKQCHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MLPLLLCIVPYCWSSRLDPRASSFDYNGEKVRGVNLGGWLVLEPWITPSIFDAAGAEAVDEWSLTKILGKEEAEARLSAH
WKSFVSAGDFQRMADAGLNHVRIPIGYWALGPLEGDPYVDGQLEYLDKAVEWAGAAGLKVLIDLHGAPGSQNGFDNSGRR
GAIQWQQGDTVEQTLDAFDLLAERYLGSDTVAAIEAINEPNIPGGVDQGKLQEYYGSVYGIVNKYNAGTSVVYGDGFLPV
ESWNGFKTEGSKVVMDTHHYHMFDNGLIAMDIDSHIDAVCQFAHQHLEASDKPVIVGEWTGAVTDCAKYLNGKGNGARYD
GSYAADKAIGDCSSLATGFVSKLSDEERSDMRRFIEAQLDAFELKSGWVFWTWKTEGAPGWDMSDLLEAGVFPTSPDDRE
FPKQCHHHHHH
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL       EDO 
3 GLYCEROL             GOL 
4 beta-D-glucopyranose BGC 
5 'CHLORIDE ION'       CL  
6 'SODIUM ION'         NA  
7 water                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   LEU n 
1 3   PRO n 
1 4   LEU n 
1 5   LEU n 
1 6   LEU n 
1 7   CYS n 
1 8   ILE n 
1 9   VAL n 
1 10  PRO n 
1 11  TYR n 
1 12  CYS n 
1 13  TRP n 
1 14  SER n 
1 15  SER n 
1 16  ARG n 
1 17  LEU n 
1 18  ASP n 
1 19  PRO n 
1 20  ARG n 
1 21  ALA n 
1 22  SER n 
1 23  SER n 
1 24  PHE n 
1 25  ASP n 
1 26  TYR n 
1 27  ASN n 
1 28  GLY n 
1 29  GLU n 
1 30  LYS n 
1 31  VAL n 
1 32  ARG n 
1 33  GLY n 
1 34  VAL n 
1 35  ASN n 
1 36  LEU n 
1 37  GLY n 
1 38  GLY n 
1 39  TRP n 
1 40  LEU n 
1 41  VAL n 
1 42  LEU n 
1 43  GLU n 
1 44  PRO n 
1 45  TRP n 
1 46  ILE n 
1 47  THR n 
1 48  PRO n 
1 49  SER n 
1 50  ILE n 
1 51  PHE n 
1 52  ASP n 
1 53  ALA n 
1 54  ALA n 
1 55  GLY n 
1 56  ALA n 
1 57  GLU n 
1 58  ALA n 
1 59  VAL n 
1 60  ASP n 
1 61  GLU n 
1 62  TRP n 
1 63  SER n 
1 64  LEU n 
1 65  THR n 
1 66  LYS n 
1 67  ILE n 
1 68  LEU n 
1 69  GLY n 
1 70  LYS n 
1 71  GLU n 
1 72  GLU n 
1 73  ALA n 
1 74  GLU n 
1 75  ALA n 
1 76  ARG n 
1 77  LEU n 
1 78  SER n 
1 79  ALA n 
1 80  HIS n 
1 81  TRP n 
1 82  LYS n 
1 83  SER n 
1 84  PHE n 
1 85  VAL n 
1 86  SER n 
1 87  ALA n 
1 88  GLY n 
1 89  ASP n 
1 90  PHE n 
1 91  GLN n 
1 92  ARG n 
1 93  MET n 
1 94  ALA n 
1 95  ASP n 
1 96  ALA n 
1 97  GLY n 
1 98  LEU n 
1 99  ASN n 
1 100 HIS n 
1 101 VAL n 
1 102 ARG n 
1 103 ILE n 
1 104 PRO n 
1 105 ILE n 
1 106 GLY n 
1 107 TYR n 
1 108 TRP n 
1 109 ALA n 
1 110 LEU n 
1 111 GLY n 
1 112 PRO n 
1 113 LEU n 
1 114 GLU n 
1 115 GLY n 
1 116 ASP n 
1 117 PRO n 
1 118 TYR n 
1 119 VAL n 
1 120 ASP n 
1 121 GLY n 
1 122 GLN n 
1 123 LEU n 
1 124 GLU n 
1 125 TYR n 
1 126 LEU n 
1 127 ASP n 
1 128 LYS n 
1 129 ALA n 
1 130 VAL n 
1 131 GLU n 
1 132 TRP n 
1 133 ALA n 
1 134 GLY n 
1 135 ALA n 
1 136 ALA n 
1 137 GLY n 
1 138 LEU n 
1 139 LYS n 
1 140 VAL n 
1 141 LEU n 
1 142 ILE n 
1 143 ASP n 
1 144 LEU n 
1 145 HIS n 
1 146 GLY n 
1 147 ALA n 
1 148 PRO n 
1 149 GLY n 
1 150 SER n 
1 151 GLN n 
1 152 ASN n 
1 153 GLY n 
1 154 PHE n 
1 155 ASP n 
1 156 ASN n 
1 157 SER n 
1 158 GLY n 
1 159 ARG n 
1 160 ARG n 
1 161 GLY n 
1 162 ALA n 
1 163 ILE n 
1 164 GLN n 
1 165 TRP n 
1 166 GLN n 
1 167 GLN n 
1 168 GLY n 
1 169 ASP n 
1 170 THR n 
1 171 VAL n 
1 172 GLU n 
1 173 GLN n 
1 174 THR n 
1 175 LEU n 
1 176 ASP n 
1 177 ALA n 
1 178 PHE n 
1 179 ASP n 
1 180 LEU n 
1 181 LEU n 
1 182 ALA n 
1 183 GLU n 
1 184 ARG n 
1 185 TYR n 
1 186 LEU n 
1 187 GLY n 
1 188 SER n 
1 189 ASP n 
1 190 THR n 
1 191 VAL n 
1 192 ALA n 
1 193 ALA n 
1 194 ILE n 
1 195 GLU n 
1 196 ALA n 
1 197 ILE n 
1 198 ASN n 
1 199 GLU n 
1 200 PRO n 
1 201 ASN n 
1 202 ILE n 
1 203 PRO n 
1 204 GLY n 
1 205 GLY n 
1 206 VAL n 
1 207 ASP n 
1 208 GLN n 
1 209 GLY n 
1 210 LYS n 
1 211 LEU n 
1 212 GLN n 
1 213 GLU n 
1 214 TYR n 
1 215 TYR n 
1 216 GLY n 
1 217 SER n 
1 218 VAL n 
1 219 TYR n 
1 220 GLY n 
1 221 ILE n 
1 222 VAL n 
1 223 ASN n 
1 224 LYS n 
1 225 TYR n 
1 226 ASN n 
1 227 ALA n 
1 228 GLY n 
1 229 THR n 
1 230 SER n 
1 231 VAL n 
1 232 VAL n 
1 233 TYR n 
1 234 GLY n 
1 235 ASP n 
1 236 GLY n 
1 237 PHE n 
1 238 LEU n 
1 239 PRO n 
1 240 VAL n 
1 241 GLU n 
1 242 SER n 
1 243 TRP n 
1 244 ASN n 
1 245 GLY n 
1 246 PHE n 
1 247 LYS n 
1 248 THR n 
1 249 GLU n 
1 250 GLY n 
1 251 SER n 
1 252 LYS n 
1 253 VAL n 
1 254 VAL n 
1 255 MET n 
1 256 ASP n 
1 257 THR n 
1 258 HIS n 
1 259 HIS n 
1 260 TYR n 
1 261 HIS n 
1 262 MET n 
1 263 PHE n 
1 264 ASP n 
1 265 ASN n 
1 266 GLY n 
1 267 LEU n 
1 268 ILE n 
1 269 ALA n 
1 270 MET n 
1 271 ASP n 
1 272 ILE n 
1 273 ASP n 
1 274 SER n 
1 275 HIS n 
1 276 ILE n 
1 277 ASP n 
1 278 ALA n 
1 279 VAL n 
1 280 CYS n 
1 281 GLN n 
1 282 PHE n 
1 283 ALA n 
1 284 HIS n 
1 285 GLN n 
1 286 HIS n 
1 287 LEU n 
1 288 GLU n 
1 289 ALA n 
1 290 SER n 
1 291 ASP n 
1 292 LYS n 
1 293 PRO n 
1 294 VAL n 
1 295 ILE n 
1 296 VAL n 
1 297 GLY n 
1 298 GLU n 
1 299 TRP n 
1 300 THR n 
1 301 GLY n 
1 302 ALA n 
1 303 VAL n 
1 304 THR n 
1 305 ASP n 
1 306 CYS n 
1 307 ALA n 
1 308 LYS n 
1 309 TYR n 
1 310 LEU n 
1 311 ASN n 
1 312 GLY n 
1 313 LYS n 
1 314 GLY n 
1 315 ASN n 
1 316 GLY n 
1 317 ALA n 
1 318 ARG n 
1 319 TYR n 
1 320 ASP n 
1 321 GLY n 
1 322 SER n 
1 323 TYR n 
1 324 ALA n 
1 325 ALA n 
1 326 ASP n 
1 327 LYS n 
1 328 ALA n 
1 329 ILE n 
1 330 GLY n 
1 331 ASP n 
1 332 CYS n 
1 333 SER n 
1 334 SER n 
1 335 LEU n 
1 336 ALA n 
1 337 THR n 
1 338 GLY n 
1 339 PHE n 
1 340 VAL n 
1 341 SER n 
1 342 LYS n 
1 343 LEU n 
1 344 SER n 
1 345 ASP n 
1 346 GLU n 
1 347 GLU n 
1 348 ARG n 
1 349 SER n 
1 350 ASP n 
1 351 MET n 
1 352 ARG n 
1 353 ARG n 
1 354 PHE n 
1 355 ILE n 
1 356 GLU n 
1 357 ALA n 
1 358 GLN n 
1 359 LEU n 
1 360 ASP n 
1 361 ALA n 
1 362 PHE n 
1 363 GLU n 
1 364 LEU n 
1 365 LYS n 
1 366 SER n 
1 367 GLY n 
1 368 TRP n 
1 369 VAL n 
1 370 PHE n 
1 371 TRP n 
1 372 THR n 
1 373 TRP n 
1 374 LYS n 
1 375 THR n 
1 376 GLU n 
1 377 GLY n 
1 378 ALA n 
1 379 PRO n 
1 380 GLY n 
1 381 TRP n 
1 382 ASP n 
1 383 MET n 
1 384 SER n 
1 385 ASP n 
1 386 LEU n 
1 387 LEU n 
1 388 GLU n 
1 389 ALA n 
1 390 GLY n 
1 391 VAL n 
1 392 PHE n 
1 393 PRO n 
1 394 THR n 
1 395 SER n 
1 396 PRO n 
1 397 ASP n 
1 398 ASP n 
1 399 ARG n 
1 400 GLU n 
1 401 PHE n 
1 402 PRO n 
1 403 LYS n 
1 404 GLN n 
1 405 CYS n 
1 406 HIS n 
1 407 HIS n 
1 408 HIS n 
1 409 HIS n 
1 410 HIS n 
1 411 HIS n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   411 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'exgA, exg1, AO090003000990' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Aspergillus oryzae' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5062 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
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 
BGC 'D-saccharide, beta linking' . beta-D-glucopyranose 'beta-D-glucose; D-glucose; glucose' 'C6 H12 O6'      180.156 
CL  non-polymer                  . 'CHLORIDE ION'       ?                                    'Cl -1'          35.453  
CYS 'L-peptide linking'          y CYSTEINE             ?                                    'C3 H7 N O2 S'   121.158 
EDO non-polymer                  . 1,2-ETHANEDIOL       'ETHYLENE GLYCOL'                    'C2 H6 O2'       62.068  
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  
GOL non-polymer                  . GLYCEROL             'GLYCERIN; PROPANE-1,2,3-TRIOL'      'C3 H8 O3'       92.094  
HIS 'L-peptide linking'          y HISTIDINE            ?                                    'C6 H10 N3 O2 1' 156.162 
HOH non-polymer                  . WATER                ?                                    'H2 O'           18.015  
ILE 'L-peptide linking'          y ISOLEUCINE           ?                                    'C6 H13 N O2'    131.173 
LEU 'L-peptide linking'          y LEUCINE              ?                                    'C6 H13 N O2'    131.173 
LYS 'L-peptide linking'          y LYSINE               ?                                    'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking'          y METHIONINE           ?                                    'C5 H11 N O2 S'  149.211 
NA  non-polymer                  . 'SODIUM ION'         ?                                    'Na 1'           22.990  
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 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
BGC 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpb            
BGC 'COMMON NAME'                         GMML     1.0 b-D-glucopyranose 
BGC 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-Glcp          
BGC 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 Glc               
# 
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   MET 1   1   ?   ?   ?   A . n 
A 1 2   LEU 2   2   ?   ?   ?   A . n 
A 1 3   PRO 3   3   ?   ?   ?   A . n 
A 1 4   LEU 4   4   ?   ?   ?   A . n 
A 1 5   LEU 5   5   ?   ?   ?   A . n 
A 1 6   LEU 6   6   ?   ?   ?   A . n 
A 1 7   CYS 7   7   ?   ?   ?   A . n 
A 1 8   ILE 8   8   ?   ?   ?   A . n 
A 1 9   VAL 9   9   ?   ?   ?   A . n 
A 1 10  PRO 10  10  ?   ?   ?   A . n 
A 1 11  TYR 11  11  ?   ?   ?   A . n 
A 1 12  CYS 12  12  ?   ?   ?   A . n 
A 1 13  TRP 13  13  ?   ?   ?   A . n 
A 1 14  SER 14  14  ?   ?   ?   A . n 
A 1 15  SER 15  15  ?   ?   ?   A . n 
A 1 16  ARG 16  16  ?   ?   ?   A . n 
A 1 17  LEU 17  17  ?   ?   ?   A . n 
A 1 18  ASP 18  18  ?   ?   ?   A . n 
A 1 19  PRO 19  19  ?   ?   ?   A . n 
A 1 20  ARG 20  20  ?   ?   ?   A . n 
A 1 21  ALA 21  21  ?   ?   ?   A . n 
A 1 22  SER 22  22  ?   ?   ?   A . n 
A 1 23  SER 23  23  ?   ?   ?   A . n 
A 1 24  PHE 24  24  24  PHE PHE A . n 
A 1 25  ASP 25  25  25  ASP ASP A . n 
A 1 26  TYR 26  26  26  TYR TYR A . n 
A 1 27  ASN 27  27  27  ASN ASN A . n 
A 1 28  GLY 28  28  28  GLY GLY A . n 
A 1 29  GLU 29  29  29  GLU GLU A . n 
A 1 30  LYS 30  30  30  LYS LYS A . n 
A 1 31  VAL 31  31  31  VAL VAL A . n 
A 1 32  ARG 32  32  32  ARG ARG A . n 
A 1 33  GLY 33  33  33  GLY GLY A . n 
A 1 34  VAL 34  34  34  VAL VAL A . n 
A 1 35  ASN 35  35  35  ASN ASN A . n 
A 1 36  LEU 36  36  36  LEU LEU A . n 
A 1 37  GLY 37  37  37  GLY GLY A . n 
A 1 38  GLY 38  38  38  GLY GLY A . n 
A 1 39  TRP 39  39  39  TRP TRP A . n 
A 1 40  LEU 40  40  40  LEU LEU A . n 
A 1 41  VAL 41  41  41  VAL VAL A . n 
A 1 42  LEU 42  42  42  LEU LEU A . n 
A 1 43  GLU 43  43  43  GLU GLU A . n 
A 1 44  PRO 44  44  44  PRO PRO A . n 
A 1 45  TRP 45  45  45  TRP TRP A . n 
A 1 46  ILE 46  46  46  ILE ILE A . n 
A 1 47  THR 47  47  47  THR THR A . n 
A 1 48  PRO 48  48  48  PRO PRO A . n 
A 1 49  SER 49  49  49  SER SER A . n 
A 1 50  ILE 50  50  50  ILE ILE A . n 
A 1 51  PHE 51  51  51  PHE PHE A . n 
A 1 52  ASP 52  52  52  ASP ASP A . n 
A 1 53  ALA 53  53  53  ALA ALA A . n 
A 1 54  ALA 54  54  54  ALA ALA A . n 
A 1 55  GLY 55  55  55  GLY GLY A . n 
A 1 56  ALA 56  56  56  ALA ALA A . n 
A 1 57  GLU 57  57  57  GLU GLU A . n 
A 1 58  ALA 58  58  58  ALA ALA A . n 
A 1 59  VAL 59  59  59  VAL VAL A . n 
A 1 60  ASP 60  60  60  ASP ASP A . n 
A 1 61  GLU 61  61  61  GLU GLU A . n 
A 1 62  TRP 62  62  62  TRP TRP A . n 
A 1 63  SER 63  63  63  SER SER A . n 
A 1 64  LEU 64  64  64  LEU LEU A . n 
A 1 65  THR 65  65  65  THR THR A . n 
A 1 66  LYS 66  66  66  LYS LYS A . n 
A 1 67  ILE 67  67  67  ILE ILE A . n 
A 1 68  LEU 68  68  68  LEU LEU A . n 
A 1 69  GLY 69  69  69  GLY GLY A . n 
A 1 70  LYS 70  70  70  LYS LYS A . n 
A 1 71  GLU 71  71  71  GLU GLU A . n 
A 1 72  GLU 72  72  72  GLU GLU A . n 
A 1 73  ALA 73  73  73  ALA ALA A . n 
A 1 74  GLU 74  74  74  GLU GLU A . n 
A 1 75  ALA 75  75  75  ALA ALA A . n 
A 1 76  ARG 76  76  76  ARG ARG A . n 
A 1 77  LEU 77  77  77  LEU LEU A . n 
A 1 78  SER 78  78  78  SER SER A . n 
A 1 79  ALA 79  79  79  ALA ALA A . n 
A 1 80  HIS 80  80  80  HIS HIS A . n 
A 1 81  TRP 81  81  81  TRP TRP A . n 
A 1 82  LYS 82  82  82  LYS LYS A . n 
A 1 83  SER 83  83  83  SER SER A . n 
A 1 84  PHE 84  84  84  PHE PHE A . n 
A 1 85  VAL 85  85  85  VAL VAL A . n 
A 1 86  SER 86  86  86  SER SER A . n 
A 1 87  ALA 87  87  87  ALA ALA A . n 
A 1 88  GLY 88  88  88  GLY GLY A . n 
A 1 89  ASP 89  89  89  ASP ASP A . n 
A 1 90  PHE 90  90  90  PHE PHE A . n 
A 1 91  GLN 91  91  91  GLN GLN A . n 
A 1 92  ARG 92  92  92  ARG ARG A . n 
A 1 93  MET 93  93  93  MET MET A . n 
A 1 94  ALA 94  94  94  ALA ALA A . n 
A 1 95  ASP 95  95  95  ASP ASP A . n 
A 1 96  ALA 96  96  96  ALA ALA A . n 
A 1 97  GLY 97  97  97  GLY GLY A . n 
A 1 98  LEU 98  98  98  LEU LEU A . n 
A 1 99  ASN 99  99  99  ASN ASN A . n 
A 1 100 HIS 100 100 100 HIS HIS A . n 
A 1 101 VAL 101 101 101 VAL VAL A . n 
A 1 102 ARG 102 102 102 ARG ARG A . n 
A 1 103 ILE 103 103 103 ILE ILE A . n 
A 1 104 PRO 104 104 104 PRO PRO A . n 
A 1 105 ILE 105 105 105 ILE ILE A . n 
A 1 106 GLY 106 106 106 GLY GLY A . n 
A 1 107 TYR 107 107 107 TYR TYR A . n 
A 1 108 TRP 108 108 108 TRP TRP A . n 
A 1 109 ALA 109 109 109 ALA ALA A . n 
A 1 110 LEU 110 110 110 LEU LEU A . n 
A 1 111 GLY 111 111 111 GLY GLY A . n 
A 1 112 PRO 112 112 112 PRO PRO A . n 
A 1 113 LEU 113 113 113 LEU LEU A . n 
A 1 114 GLU 114 114 114 GLU GLU A . n 
A 1 115 GLY 115 115 115 GLY GLY A . n 
A 1 116 ASP 116 116 116 ASP ASP A . n 
A 1 117 PRO 117 117 117 PRO PRO A . n 
A 1 118 TYR 118 118 118 TYR TYR A . n 
A 1 119 VAL 119 119 119 VAL VAL A . n 
A 1 120 ASP 120 120 120 ASP ASP A . n 
A 1 121 GLY 121 121 121 GLY GLY A . n 
A 1 122 GLN 122 122 122 GLN GLN A . n 
A 1 123 LEU 123 123 123 LEU LEU A . n 
A 1 124 GLU 124 124 124 GLU GLU A . n 
A 1 125 TYR 125 125 125 TYR TYR A . n 
A 1 126 LEU 126 126 126 LEU LEU A . n 
A 1 127 ASP 127 127 127 ASP ASP A . n 
A 1 128 LYS 128 128 128 LYS LYS A . n 
A 1 129 ALA 129 129 129 ALA ALA A . n 
A 1 130 VAL 130 130 130 VAL VAL A . n 
A 1 131 GLU 131 131 131 GLU GLU A . n 
A 1 132 TRP 132 132 132 TRP TRP A . n 
A 1 133 ALA 133 133 133 ALA ALA A . n 
A 1 134 GLY 134 134 134 GLY GLY A . n 
A 1 135 ALA 135 135 135 ALA ALA A . n 
A 1 136 ALA 136 136 136 ALA ALA A . n 
A 1 137 GLY 137 137 137 GLY GLY A . n 
A 1 138 LEU 138 138 138 LEU LEU A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 VAL 140 140 140 VAL VAL A . n 
A 1 141 LEU 141 141 141 LEU LEU A . n 
A 1 142 ILE 142 142 142 ILE ILE A . n 
A 1 143 ASP 143 143 143 ASP ASP A . n 
A 1 144 LEU 144 144 144 LEU LEU A . n 
A 1 145 HIS 145 145 145 HIS HIS A . n 
A 1 146 GLY 146 146 146 GLY GLY A . n 
A 1 147 ALA 147 147 147 ALA ALA A . n 
A 1 148 PRO 148 148 148 PRO PRO A . n 
A 1 149 GLY 149 149 149 GLY GLY A . n 
A 1 150 SER 150 150 150 SER SER A . n 
A 1 151 GLN 151 151 151 GLN GLN A . n 
A 1 152 ASN 152 152 152 ASN ASN A . n 
A 1 153 GLY 153 153 153 GLY GLY A . n 
A 1 154 PHE 154 154 154 PHE PHE A . n 
A 1 155 ASP 155 155 155 ASP ASP A . n 
A 1 156 ASN 156 156 156 ASN ASN A . n 
A 1 157 SER 157 157 157 SER SER A . n 
A 1 158 GLY 158 158 158 GLY GLY A . n 
A 1 159 ARG 159 159 159 ARG ARG A . n 
A 1 160 ARG 160 160 160 ARG ARG A . n 
A 1 161 GLY 161 161 161 GLY GLY A . n 
A 1 162 ALA 162 162 162 ALA ALA A . n 
A 1 163 ILE 163 163 163 ILE ILE A . n 
A 1 164 GLN 164 164 164 GLN GLN A . n 
A 1 165 TRP 165 165 165 TRP TRP A . n 
A 1 166 GLN 166 166 166 GLN GLN A . n 
A 1 167 GLN 167 167 167 GLN GLN A . n 
A 1 168 GLY 168 168 168 GLY GLY A . n 
A 1 169 ASP 169 169 169 ASP ASP A . n 
A 1 170 THR 170 170 170 THR THR A . n 
A 1 171 VAL 171 171 171 VAL VAL A . n 
A 1 172 GLU 172 172 172 GLU GLU A . n 
A 1 173 GLN 173 173 173 GLN GLN A . n 
A 1 174 THR 174 174 174 THR THR A . n 
A 1 175 LEU 175 175 175 LEU LEU A . n 
A 1 176 ASP 176 176 176 ASP ASP A . n 
A 1 177 ALA 177 177 177 ALA ALA A . n 
A 1 178 PHE 178 178 178 PHE PHE A . n 
A 1 179 ASP 179 179 179 ASP ASP A . n 
A 1 180 LEU 180 180 180 LEU LEU A . n 
A 1 181 LEU 181 181 181 LEU LEU A . n 
A 1 182 ALA 182 182 182 ALA ALA A . n 
A 1 183 GLU 183 183 183 GLU GLU A . n 
A 1 184 ARG 184 184 184 ARG ARG A . n 
A 1 185 TYR 185 185 185 TYR TYR A . n 
A 1 186 LEU 186 186 186 LEU LEU A . n 
A 1 187 GLY 187 187 187 GLY GLY A . n 
A 1 188 SER 188 188 188 SER SER A . n 
A 1 189 ASP 189 189 189 ASP ASP A . n 
A 1 190 THR 190 190 190 THR THR A . n 
A 1 191 VAL 191 191 191 VAL VAL A . n 
A 1 192 ALA 192 192 192 ALA ALA A . n 
A 1 193 ALA 193 193 193 ALA ALA A . n 
A 1 194 ILE 194 194 194 ILE ILE A . n 
A 1 195 GLU 195 195 195 GLU GLU A . n 
A 1 196 ALA 196 196 196 ALA ALA A . n 
A 1 197 ILE 197 197 197 ILE ILE A . n 
A 1 198 ASN 198 198 198 ASN ASN A . n 
A 1 199 GLU 199 199 199 GLU GLU A . n 
A 1 200 PRO 200 200 200 PRO PRO A . n 
A 1 201 ASN 201 201 201 ASN ASN A . n 
A 1 202 ILE 202 202 202 ILE ILE A . n 
A 1 203 PRO 203 203 203 PRO PRO A . n 
A 1 204 GLY 204 204 204 GLY GLY A . n 
A 1 205 GLY 205 205 205 GLY GLY A . n 
A 1 206 VAL 206 206 206 VAL VAL A . n 
A 1 207 ASP 207 207 207 ASP ASP A . n 
A 1 208 GLN 208 208 208 GLN GLN A . n 
A 1 209 GLY 209 209 209 GLY GLY A . n 
A 1 210 LYS 210 210 210 LYS LYS A . n 
A 1 211 LEU 211 211 211 LEU LEU A . n 
A 1 212 GLN 212 212 212 GLN GLN A . n 
A 1 213 GLU 213 213 213 GLU GLU A . n 
A 1 214 TYR 214 214 214 TYR TYR A . n 
A 1 215 TYR 215 215 215 TYR TYR A . n 
A 1 216 GLY 216 216 216 GLY GLY A . n 
A 1 217 SER 217 217 217 SER SER A . n 
A 1 218 VAL 218 218 218 VAL VAL A . n 
A 1 219 TYR 219 219 219 TYR TYR A . n 
A 1 220 GLY 220 220 220 GLY GLY A . n 
A 1 221 ILE 221 221 221 ILE ILE A . n 
A 1 222 VAL 222 222 222 VAL VAL A . n 
A 1 223 ASN 223 223 223 ASN ASN A . n 
A 1 224 LYS 224 224 224 LYS LYS A . n 
A 1 225 TYR 225 225 225 TYR TYR A . n 
A 1 226 ASN 226 226 226 ASN ASN A . n 
A 1 227 ALA 227 227 227 ALA ALA A . n 
A 1 228 GLY 228 228 228 GLY GLY A . n 
A 1 229 THR 229 229 229 THR THR A . n 
A 1 230 SER 230 230 230 SER SER A . n 
A 1 231 VAL 231 231 231 VAL VAL A . n 
A 1 232 VAL 232 232 232 VAL VAL A . n 
A 1 233 TYR 233 233 233 TYR TYR A . n 
A 1 234 GLY 234 234 234 GLY GLY A . n 
A 1 235 ASP 235 235 235 ASP ASP A . n 
A 1 236 GLY 236 236 236 GLY GLY A . n 
A 1 237 PHE 237 237 237 PHE PHE A . n 
A 1 238 LEU 238 238 238 LEU LEU A . n 
A 1 239 PRO 239 239 239 PRO PRO A . n 
A 1 240 VAL 240 240 240 VAL VAL A . n 
A 1 241 GLU 241 241 241 GLU GLU A . n 
A 1 242 SER 242 242 242 SER SER A . n 
A 1 243 TRP 243 243 243 TRP TRP A . n 
A 1 244 ASN 244 244 244 ASN ASN A . n 
A 1 245 GLY 245 245 245 GLY GLY A . n 
A 1 246 PHE 246 246 246 PHE PHE A . n 
A 1 247 LYS 247 247 247 LYS LYS A . n 
A 1 248 THR 248 248 248 THR THR A . n 
A 1 249 GLU 249 249 249 GLU GLU A . n 
A 1 250 GLY 250 250 250 GLY GLY A . n 
A 1 251 SER 251 251 251 SER SER A . n 
A 1 252 LYS 252 252 252 LYS LYS A . n 
A 1 253 VAL 253 253 253 VAL VAL A . n 
A 1 254 VAL 254 254 254 VAL VAL A . n 
A 1 255 MET 255 255 255 MET MET A . n 
A 1 256 ASP 256 256 256 ASP ASP A . n 
A 1 257 THR 257 257 257 THR THR A . n 
A 1 258 HIS 258 258 258 HIS HIS A . n 
A 1 259 HIS 259 259 259 HIS HIS A . n 
A 1 260 TYR 260 260 260 TYR TYR A . n 
A 1 261 HIS 261 261 261 HIS HIS A . n 
A 1 262 MET 262 262 262 MET MET A . n 
A 1 263 PHE 263 263 263 PHE PHE A . n 
A 1 264 ASP 264 264 264 ASP ASP A . n 
A 1 265 ASN 265 265 265 ASN ASN A . n 
A 1 266 GLY 266 266 266 GLY GLY A . n 
A 1 267 LEU 267 267 267 LEU LEU A . n 
A 1 268 ILE 268 268 268 ILE ILE A . n 
A 1 269 ALA 269 269 269 ALA ALA A . n 
A 1 270 MET 270 270 270 MET MET A . n 
A 1 271 ASP 271 271 271 ASP ASP A . n 
A 1 272 ILE 272 272 272 ILE ILE A . n 
A 1 273 ASP 273 273 273 ASP ASP A . n 
A 1 274 SER 274 274 274 SER SER A . n 
A 1 275 HIS 275 275 275 HIS HIS A . n 
A 1 276 ILE 276 276 276 ILE ILE A . n 
A 1 277 ASP 277 277 277 ASP ASP A . n 
A 1 278 ALA 278 278 278 ALA ALA A . n 
A 1 279 VAL 279 279 279 VAL VAL A . n 
A 1 280 CYS 280 280 280 CYS CYS A . n 
A 1 281 GLN 281 281 281 GLN GLN A . n 
A 1 282 PHE 282 282 282 PHE PHE A . n 
A 1 283 ALA 283 283 283 ALA ALA A . n 
A 1 284 HIS 284 284 284 HIS HIS A . n 
A 1 285 GLN 285 285 285 GLN GLN A . n 
A 1 286 HIS 286 286 286 HIS HIS A . n 
A 1 287 LEU 287 287 287 LEU LEU A . n 
A 1 288 GLU 288 288 288 GLU GLU A . n 
A 1 289 ALA 289 289 289 ALA ALA A . n 
A 1 290 SER 290 290 290 SER SER A . n 
A 1 291 ASP 291 291 291 ASP ASP A . n 
A 1 292 LYS 292 292 292 LYS LYS A . n 
A 1 293 PRO 293 293 293 PRO PRO A . n 
A 1 294 VAL 294 294 294 VAL VAL A . n 
A 1 295 ILE 295 295 295 ILE ILE A . n 
A 1 296 VAL 296 296 296 VAL VAL A . n 
A 1 297 GLY 297 297 297 GLY GLY A . n 
A 1 298 GLU 298 298 298 GLU GLU A . n 
A 1 299 TRP 299 299 299 TRP TRP A . n 
A 1 300 THR 300 300 300 THR THR A . n 
A 1 301 GLY 301 301 301 GLY GLY A . n 
A 1 302 ALA 302 302 302 ALA ALA A . n 
A 1 303 VAL 303 303 303 VAL VAL A . n 
A 1 304 THR 304 304 304 THR THR A . n 
A 1 305 ASP 305 305 305 ASP ASP A . n 
A 1 306 CYS 306 306 306 CYS CYS A . n 
A 1 307 ALA 307 307 307 ALA ALA A . n 
A 1 308 LYS 308 308 308 LYS LYS A . n 
A 1 309 TYR 309 309 309 TYR TYR A . n 
A 1 310 LEU 310 310 310 LEU LEU A . n 
A 1 311 ASN 311 311 311 ASN ASN A . n 
A 1 312 GLY 312 312 312 GLY GLY A . n 
A 1 313 LYS 313 313 313 LYS LYS A . n 
A 1 314 GLY 314 314 314 GLY GLY A . n 
A 1 315 ASN 315 315 315 ASN ASN A . n 
A 1 316 GLY 316 316 316 GLY GLY A . n 
A 1 317 ALA 317 317 317 ALA ALA A . n 
A 1 318 ARG 318 318 318 ARG ARG A . n 
A 1 319 TYR 319 319 319 TYR TYR A . n 
A 1 320 ASP 320 320 320 ASP ASP A . n 
A 1 321 GLY 321 321 321 GLY GLY A . n 
A 1 322 SER 322 322 322 SER SER A . n 
A 1 323 TYR 323 323 323 TYR TYR A . n 
A 1 324 ALA 324 324 324 ALA ALA A . n 
A 1 325 ALA 325 325 325 ALA ALA A . n 
A 1 326 ASP 326 326 326 ASP ASP A . n 
A 1 327 LYS 327 327 327 LYS LYS A . n 
A 1 328 ALA 328 328 328 ALA ALA A . n 
A 1 329 ILE 329 329 329 ILE ILE A . n 
A 1 330 GLY 330 330 330 GLY GLY A . n 
A 1 331 ASP 331 331 331 ASP ASP A . n 
A 1 332 CYS 332 332 332 CYS CYS A . n 
A 1 333 SER 333 333 333 SER SER A . n 
A 1 334 SER 334 334 334 SER SER A . n 
A 1 335 LEU 335 335 335 LEU LEU A . n 
A 1 336 ALA 336 336 336 ALA ALA A . n 
A 1 337 THR 337 337 337 THR THR A . n 
A 1 338 GLY 338 338 338 GLY GLY A . n 
A 1 339 PHE 339 339 339 PHE PHE A . n 
A 1 340 VAL 340 340 340 VAL VAL A . n 
A 1 341 SER 341 341 341 SER SER A . n 
A 1 342 LYS 342 342 342 LYS LYS A . n 
A 1 343 LEU 343 343 343 LEU LEU A . n 
A 1 344 SER 344 344 344 SER SER A . n 
A 1 345 ASP 345 345 345 ASP ASP A . n 
A 1 346 GLU 346 346 346 GLU GLU A . n 
A 1 347 GLU 347 347 347 GLU GLU A . n 
A 1 348 ARG 348 348 348 ARG ARG A . n 
A 1 349 SER 349 349 349 SER SER A . n 
A 1 350 ASP 350 350 350 ASP ASP A . n 
A 1 351 MET 351 351 351 MET MET A . n 
A 1 352 ARG 352 352 352 ARG ARG A . n 
A 1 353 ARG 353 353 353 ARG ARG A . n 
A 1 354 PHE 354 354 354 PHE PHE A . n 
A 1 355 ILE 355 355 355 ILE ILE A . n 
A 1 356 GLU 356 356 356 GLU GLU A . n 
A 1 357 ALA 357 357 357 ALA ALA A . n 
A 1 358 GLN 358 358 358 GLN GLN A . n 
A 1 359 LEU 359 359 359 LEU LEU A . n 
A 1 360 ASP 360 360 360 ASP ASP A . n 
A 1 361 ALA 361 361 361 ALA ALA A . n 
A 1 362 PHE 362 362 362 PHE PHE A . n 
A 1 363 GLU 363 363 363 GLU GLU A . n 
A 1 364 LEU 364 364 364 LEU LEU A . n 
A 1 365 LYS 365 365 365 LYS LYS A . n 
A 1 366 SER 366 366 366 SER SER A . n 
A 1 367 GLY 367 367 367 GLY GLY A . n 
A 1 368 TRP 368 368 368 TRP TRP A . n 
A 1 369 VAL 369 369 369 VAL VAL A . n 
A 1 370 PHE 370 370 370 PHE PHE A . n 
A 1 371 TRP 371 371 371 TRP TRP A . n 
A 1 372 THR 372 372 372 THR THR A . n 
A 1 373 TRP 373 373 373 TRP TRP A . n 
A 1 374 LYS 374 374 374 LYS LYS A . n 
A 1 375 THR 375 375 375 THR THR A . n 
A 1 376 GLU 376 376 376 GLU GLU A . n 
A 1 377 GLY 377 377 377 GLY GLY A . n 
A 1 378 ALA 378 378 378 ALA ALA A . n 
A 1 379 PRO 379 379 379 PRO PRO A . n 
A 1 380 GLY 380 380 380 GLY GLY A . n 
A 1 381 TRP 381 381 381 TRP TRP A . n 
A 1 382 ASP 382 382 382 ASP ASP A . n 
A 1 383 MET 383 383 383 MET MET A . n 
A 1 384 SER 384 384 384 SER SER A . n 
A 1 385 ASP 385 385 385 ASP ASP A . n 
A 1 386 LEU 386 386 386 LEU LEU A . n 
A 1 387 LEU 387 387 387 LEU LEU A . n 
A 1 388 GLU 388 388 388 GLU GLU A . n 
A 1 389 ALA 389 389 389 ALA ALA A . n 
A 1 390 GLY 390 390 390 GLY GLY A . n 
A 1 391 VAL 391 391 391 VAL VAL A . n 
A 1 392 PHE 392 392 392 PHE PHE A . n 
A 1 393 PRO 393 393 393 PRO PRO A . n 
A 1 394 THR 394 394 394 THR THR A . n 
A 1 395 SER 395 395 395 SER SER A . n 
A 1 396 PRO 396 396 396 PRO PRO A . n 
A 1 397 ASP 397 397 397 ASP ASP A . n 
A 1 398 ASP 398 398 398 ASP ASP A . n 
A 1 399 ARG 399 399 399 ARG ARG A . n 
A 1 400 GLU 400 400 400 GLU GLU A . n 
A 1 401 PHE 401 401 401 PHE PHE A . n 
A 1 402 PRO 402 402 402 PRO PRO A . n 
A 1 403 LYS 403 403 403 LYS LYS A . n 
A 1 404 GLN 404 404 404 GLN GLN A . n 
A 1 405 CYS 405 405 405 CYS CYS A . n 
A 1 406 HIS 406 406 ?   ?   ?   A . n 
A 1 407 HIS 407 407 ?   ?   ?   A . n 
A 1 408 HIS 408 408 ?   ?   ?   A . n 
A 1 409 HIS 409 409 ?   ?   ?   A . n 
A 1 410 HIS 410 410 ?   ?   ?   A . n 
A 1 411 HIS 411 411 ?   ?   ?   A . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 BGC ? ? BGC ? ? 'SUBJECT OF INVESTIGATION' ? 
2 CL  ? ? CL  ? ? 'SUBJECT OF INVESTIGATION' ? 
3 EDO ? ? EDO ? ? 'SUBJECT OF INVESTIGATION' ? 
4 GOL ? ? GOL ? ? 'SUBJECT OF INVESTIGATION' ? 
5 NA  ? ? NA  ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 EDO 1   501  501 EDO EDO A . 
C 3 GOL 1   502  502 GOL GOL A . 
D 4 BGC 1   503  503 BGC BGC A . 
E 3 GOL 1   504  504 GOL GOL A . 
F 4 BGC 1   505  505 BGC BGC A . 
G 5 CL  1   506  1   CL  CL  A . 
H 6 NA  1   507  2   NA  NA  A . 
I 7 HOH 1   601  200 HOH HOH A . 
I 7 HOH 2   602  183 HOH HOH A . 
I 7 HOH 3   603  434 HOH HOH A . 
I 7 HOH 4   604  485 HOH HOH A . 
I 7 HOH 5   605  382 HOH HOH A . 
I 7 HOH 6   606  529 HOH HOH A . 
I 7 HOH 7   607  188 HOH HOH A . 
I 7 HOH 8   608  506 HOH HOH A . 
I 7 HOH 9   609  580 HOH HOH A . 
I 7 HOH 10  610  510 HOH HOH A . 
I 7 HOH 11  611  582 HOH HOH A . 
I 7 HOH 12  612  204 HOH HOH A . 
I 7 HOH 13  613  392 HOH HOH A . 
I 7 HOH 14  614  71  HOH HOH A . 
I 7 HOH 15  615  295 HOH HOH A . 
I 7 HOH 16  616  181 HOH HOH A . 
I 7 HOH 17  617  581 HOH HOH A . 
I 7 HOH 18  618  546 HOH HOH A . 
I 7 HOH 19  619  501 HOH HOH A . 
I 7 HOH 20  620  364 HOH HOH A . 
I 7 HOH 21  621  495 HOH HOH A . 
I 7 HOH 22  622  125 HOH HOH A . 
I 7 HOH 23  623  227 HOH HOH A . 
I 7 HOH 24  624  207 HOH HOH A . 
I 7 HOH 25  625  91  HOH HOH A . 
I 7 HOH 26  626  279 HOH HOH A . 
I 7 HOH 27  627  488 HOH HOH A . 
I 7 HOH 28  628  319 HOH HOH A . 
I 7 HOH 29  629  245 HOH HOH A . 
I 7 HOH 30  630  257 HOH HOH A . 
I 7 HOH 31  631  288 HOH HOH A . 
I 7 HOH 32  632  149 HOH HOH A . 
I 7 HOH 33  633  365 HOH HOH A . 
I 7 HOH 34  634  318 HOH HOH A . 
I 7 HOH 35  635  48  HOH HOH A . 
I 7 HOH 36  636  195 HOH HOH A . 
I 7 HOH 37  637  85  HOH HOH A . 
I 7 HOH 38  638  170 HOH HOH A . 
I 7 HOH 39  639  61  HOH HOH A . 
I 7 HOH 40  640  108 HOH HOH A . 
I 7 HOH 41  641  358 HOH HOH A . 
I 7 HOH 42  642  293 HOH HOH A . 
I 7 HOH 43  643  282 HOH HOH A . 
I 7 HOH 44  644  254 HOH HOH A . 
I 7 HOH 45  645  241 HOH HOH A . 
I 7 HOH 46  646  338 HOH HOH A . 
I 7 HOH 47  647  366 HOH HOH A . 
I 7 HOH 48  648  479 HOH HOH A . 
I 7 HOH 49  649  383 HOH HOH A . 
I 7 HOH 50  650  41  HOH HOH A . 
I 7 HOH 51  651  369 HOH HOH A . 
I 7 HOH 52  652  289 HOH HOH A . 
I 7 HOH 53  653  248 HOH HOH A . 
I 7 HOH 54  654  196 HOH HOH A . 
I 7 HOH 55  655  308 HOH HOH A . 
I 7 HOH 56  656  239 HOH HOH A . 
I 7 HOH 57  657  44  HOH HOH A . 
I 7 HOH 58  658  128 HOH HOH A . 
I 7 HOH 59  659  556 HOH HOH A . 
I 7 HOH 60  660  187 HOH HOH A . 
I 7 HOH 61  661  49  HOH HOH A . 
I 7 HOH 62  662  290 HOH HOH A . 
I 7 HOH 63  663  73  HOH HOH A . 
I 7 HOH 64  664  39  HOH HOH A . 
I 7 HOH 65  665  8   HOH HOH A . 
I 7 HOH 66  666  377 HOH HOH A . 
I 7 HOH 67  667  75  HOH HOH A . 
I 7 HOH 68  668  316 HOH HOH A . 
I 7 HOH 69  669  557 HOH HOH A . 
I 7 HOH 70  670  33  HOH HOH A . 
I 7 HOH 71  671  413 HOH HOH A . 
I 7 HOH 72  672  171 HOH HOH A . 
I 7 HOH 73  673  298 HOH HOH A . 
I 7 HOH 74  674  525 HOH HOH A . 
I 7 HOH 75  675  51  HOH HOH A . 
I 7 HOH 76  676  135 HOH HOH A . 
I 7 HOH 77  677  93  HOH HOH A . 
I 7 HOH 78  678  326 HOH HOH A . 
I 7 HOH 79  679  46  HOH HOH A . 
I 7 HOH 80  680  334 HOH HOH A . 
I 7 HOH 81  681  354 HOH HOH A . 
I 7 HOH 82  682  3   HOH HOH A . 
I 7 HOH 83  683  400 HOH HOH A . 
I 7 HOH 84  684  31  HOH HOH A . 
I 7 HOH 85  685  198 HOH HOH A . 
I 7 HOH 86  686  14  HOH HOH A . 
I 7 HOH 87  687  205 HOH HOH A . 
I 7 HOH 88  688  470 HOH HOH A . 
I 7 HOH 89  689  263 HOH HOH A . 
I 7 HOH 90  690  11  HOH HOH A . 
I 7 HOH 91  691  30  HOH HOH A . 
I 7 HOH 92  692  220 HOH HOH A . 
I 7 HOH 93  693  58  HOH HOH A . 
I 7 HOH 94  694  339 HOH HOH A . 
I 7 HOH 95  695  27  HOH HOH A . 
I 7 HOH 96  696  136 HOH HOH A . 
I 7 HOH 97  697  573 HOH HOH A . 
I 7 HOH 98  698  111 HOH HOH A . 
I 7 HOH 99  699  493 HOH HOH A . 
I 7 HOH 100 700  418 HOH HOH A . 
I 7 HOH 101 701  569 HOH HOH A . 
I 7 HOH 102 702  165 HOH HOH A . 
I 7 HOH 103 703  206 HOH HOH A . 
I 7 HOH 104 704  59  HOH HOH A . 
I 7 HOH 105 705  66  HOH HOH A . 
I 7 HOH 106 706  50  HOH HOH A . 
I 7 HOH 107 707  25  HOH HOH A . 
I 7 HOH 108 708  159 HOH HOH A . 
I 7 HOH 109 709  53  HOH HOH A . 
I 7 HOH 110 710  186 HOH HOH A . 
I 7 HOH 111 711  325 HOH HOH A . 
I 7 HOH 112 712  106 HOH HOH A . 
I 7 HOH 113 713  5   HOH HOH A . 
I 7 HOH 114 714  137 HOH HOH A . 
I 7 HOH 115 715  512 HOH HOH A . 
I 7 HOH 116 716  243 HOH HOH A . 
I 7 HOH 117 717  177 HOH HOH A . 
I 7 HOH 118 718  42  HOH HOH A . 
I 7 HOH 119 719  4   HOH HOH A . 
I 7 HOH 120 720  10  HOH HOH A . 
I 7 HOH 121 721  55  HOH HOH A . 
I 7 HOH 122 722  78  HOH HOH A . 
I 7 HOH 123 723  29  HOH HOH A . 
I 7 HOH 124 724  151 HOH HOH A . 
I 7 HOH 125 725  23  HOH HOH A . 
I 7 HOH 126 726  2   HOH HOH A . 
I 7 HOH 127 727  540 HOH HOH A . 
I 7 HOH 128 728  40  HOH HOH A . 
I 7 HOH 129 729  524 HOH HOH A . 
I 7 HOH 130 730  79  HOH HOH A . 
I 7 HOH 131 731  160 HOH HOH A . 
I 7 HOH 132 732  24  HOH HOH A . 
I 7 HOH 133 733  429 HOH HOH A . 
I 7 HOH 134 734  232 HOH HOH A . 
I 7 HOH 135 735  63  HOH HOH A . 
I 7 HOH 136 736  360 HOH HOH A . 
I 7 HOH 137 737  13  HOH HOH A . 
I 7 HOH 138 738  578 HOH HOH A . 
I 7 HOH 139 739  127 HOH HOH A . 
I 7 HOH 140 740  230 HOH HOH A . 
I 7 HOH 141 741  74  HOH HOH A . 
I 7 HOH 142 742  158 HOH HOH A . 
I 7 HOH 143 743  213 HOH HOH A . 
I 7 HOH 144 744  421 HOH HOH A . 
I 7 HOH 145 745  350 HOH HOH A . 
I 7 HOH 146 746  519 HOH HOH A . 
I 7 HOH 147 747  60  HOH HOH A . 
I 7 HOH 148 748  81  HOH HOH A . 
I 7 HOH 149 749  157 HOH HOH A . 
I 7 HOH 150 750  110 HOH HOH A . 
I 7 HOH 151 751  523 HOH HOH A . 
I 7 HOH 152 752  92  HOH HOH A . 
I 7 HOH 153 753  139 HOH HOH A . 
I 7 HOH 154 754  28  HOH HOH A . 
I 7 HOH 155 755  76  HOH HOH A . 
I 7 HOH 156 756  116 HOH HOH A . 
I 7 HOH 157 757  131 HOH HOH A . 
I 7 HOH 158 758  238 HOH HOH A . 
I 7 HOH 159 759  433 HOH HOH A . 
I 7 HOH 160 760  242 HOH HOH A . 
I 7 HOH 161 761  95  HOH HOH A . 
I 7 HOH 162 762  104 HOH HOH A . 
I 7 HOH 163 763  9   HOH HOH A . 
I 7 HOH 164 764  69  HOH HOH A . 
I 7 HOH 165 765  102 HOH HOH A . 
I 7 HOH 166 766  210 HOH HOH A . 
I 7 HOH 167 767  94  HOH HOH A . 
I 7 HOH 168 768  538 HOH HOH A . 
I 7 HOH 169 769  267 HOH HOH A . 
I 7 HOH 170 770  12  HOH HOH A . 
I 7 HOH 171 771  121 HOH HOH A . 
I 7 HOH 172 772  133 HOH HOH A . 
I 7 HOH 173 773  15  HOH HOH A . 
I 7 HOH 174 774  390 HOH HOH A . 
I 7 HOH 175 775  226 HOH HOH A . 
I 7 HOH 176 776  522 HOH HOH A . 
I 7 HOH 177 777  576 HOH HOH A . 
I 7 HOH 178 778  150 HOH HOH A . 
I 7 HOH 179 779  405 HOH HOH A . 
I 7 HOH 180 780  117 HOH HOH A . 
I 7 HOH 181 781  250 HOH HOH A . 
I 7 HOH 182 782  57  HOH HOH A . 
I 7 HOH 183 783  145 HOH HOH A . 
I 7 HOH 184 784  34  HOH HOH A . 
I 7 HOH 185 785  258 HOH HOH A . 
I 7 HOH 186 786  56  HOH HOH A . 
I 7 HOH 187 787  259 HOH HOH A . 
I 7 HOH 188 788  16  HOH HOH A . 
I 7 HOH 189 789  199 HOH HOH A . 
I 7 HOH 190 790  168 HOH HOH A . 
I 7 HOH 191 791  304 HOH HOH A . 
I 7 HOH 192 792  368 HOH HOH A . 
I 7 HOH 193 793  98  HOH HOH A . 
I 7 HOH 194 794  87  HOH HOH A . 
I 7 HOH 195 795  115 HOH HOH A . 
I 7 HOH 196 796  1   HOH HOH A . 
I 7 HOH 197 797  83  HOH HOH A . 
I 7 HOH 198 798  156 HOH HOH A . 
I 7 HOH 199 799  342 HOH HOH A . 
I 7 HOH 200 800  235 HOH HOH A . 
I 7 HOH 201 801  97  HOH HOH A . 
I 7 HOH 202 802  70  HOH HOH A . 
I 7 HOH 203 803  64  HOH HOH A . 
I 7 HOH 204 804  45  HOH HOH A . 
I 7 HOH 205 805  234 HOH HOH A . 
I 7 HOH 206 806  52  HOH HOH A . 
I 7 HOH 207 807  152 HOH HOH A . 
I 7 HOH 208 808  237 HOH HOH A . 
I 7 HOH 209 809  32  HOH HOH A . 
I 7 HOH 210 810  570 HOH HOH A . 
I 7 HOH 211 811  84  HOH HOH A . 
I 7 HOH 212 812  176 HOH HOH A . 
I 7 HOH 213 813  292 HOH HOH A . 
I 7 HOH 214 814  574 HOH HOH A . 
I 7 HOH 215 815  180 HOH HOH A . 
I 7 HOH 216 816  559 HOH HOH A . 
I 7 HOH 217 817  367 HOH HOH A . 
I 7 HOH 218 818  22  HOH HOH A . 
I 7 HOH 219 819  577 HOH HOH A . 
I 7 HOH 220 820  273 HOH HOH A . 
I 7 HOH 221 821  178 HOH HOH A . 
I 7 HOH 222 822  129 HOH HOH A . 
I 7 HOH 223 823  311 HOH HOH A . 
I 7 HOH 224 824  276 HOH HOH A . 
I 7 HOH 225 825  224 HOH HOH A . 
I 7 HOH 226 826  526 HOH HOH A . 
I 7 HOH 227 827  96  HOH HOH A . 
I 7 HOH 228 828  47  HOH HOH A . 
I 7 HOH 229 829  438 HOH HOH A . 
I 7 HOH 230 830  101 HOH HOH A . 
I 7 HOH 231 831  67  HOH HOH A . 
I 7 HOH 232 832  264 HOH HOH A . 
I 7 HOH 233 833  182 HOH HOH A . 
I 7 HOH 234 834  43  HOH HOH A . 
I 7 HOH 235 835  426 HOH HOH A . 
I 7 HOH 236 836  260 HOH HOH A . 
I 7 HOH 237 837  122 HOH HOH A . 
I 7 HOH 238 838  89  HOH HOH A . 
I 7 HOH 239 839  373 HOH HOH A . 
I 7 HOH 240 840  105 HOH HOH A . 
I 7 HOH 241 841  175 HOH HOH A . 
I 7 HOH 242 842  337 HOH HOH A . 
I 7 HOH 243 843  123 HOH HOH A . 
I 7 HOH 244 844  113 HOH HOH A . 
I 7 HOH 245 845  355 HOH HOH A . 
I 7 HOH 246 846  333 HOH HOH A . 
I 7 HOH 247 847  208 HOH HOH A . 
I 7 HOH 248 848  221 HOH HOH A . 
I 7 HOH 249 849  6   HOH HOH A . 
I 7 HOH 250 850  344 HOH HOH A . 
I 7 HOH 251 851  100 HOH HOH A . 
I 7 HOH 252 852  229 HOH HOH A . 
I 7 HOH 253 853  321 HOH HOH A . 
I 7 HOH 254 854  312 HOH HOH A . 
I 7 HOH 255 855  287 HOH HOH A . 
I 7 HOH 256 856  566 HOH HOH A . 
I 7 HOH 257 857  20  HOH HOH A . 
I 7 HOH 258 858  252 HOH HOH A . 
I 7 HOH 259 859  18  HOH HOH A . 
I 7 HOH 260 860  548 HOH HOH A . 
I 7 HOH 261 861  38  HOH HOH A . 
I 7 HOH 262 862  54  HOH HOH A . 
I 7 HOH 263 863  542 HOH HOH A . 
I 7 HOH 264 864  26  HOH HOH A . 
I 7 HOH 265 865  343 HOH HOH A . 
I 7 HOH 266 866  357 HOH HOH A . 
I 7 HOH 267 867  251 HOH HOH A . 
I 7 HOH 268 868  313 HOH HOH A . 
I 7 HOH 269 869  82  HOH HOH A . 
I 7 HOH 270 870  214 HOH HOH A . 
I 7 HOH 271 871  231 HOH HOH A . 
I 7 HOH 272 872  244 HOH HOH A . 
I 7 HOH 273 873  211 HOH HOH A . 
I 7 HOH 274 874  118 HOH HOH A . 
I 7 HOH 275 875  299 HOH HOH A . 
I 7 HOH 276 876  72  HOH HOH A . 
I 7 HOH 277 877  21  HOH HOH A . 
I 7 HOH 278 878  163 HOH HOH A . 
I 7 HOH 279 879  173 HOH HOH A . 
I 7 HOH 280 880  322 HOH HOH A . 
I 7 HOH 281 881  302 HOH HOH A . 
I 7 HOH 282 882  218 HOH HOH A . 
I 7 HOH 283 883  174 HOH HOH A . 
I 7 HOH 284 884  77  HOH HOH A . 
I 7 HOH 285 885  124 HOH HOH A . 
I 7 HOH 286 886  37  HOH HOH A . 
I 7 HOH 287 887  286 HOH HOH A . 
I 7 HOH 288 888  268 HOH HOH A . 
I 7 HOH 289 889  520 HOH HOH A . 
I 7 HOH 290 890  309 HOH HOH A . 
I 7 HOH 291 891  132 HOH HOH A . 
I 7 HOH 292 892  328 HOH HOH A . 
I 7 HOH 293 893  154 HOH HOH A . 
I 7 HOH 294 894  301 HOH HOH A . 
I 7 HOH 295 895  166 HOH HOH A . 
I 7 HOH 296 896  148 HOH HOH A . 
I 7 HOH 297 897  19  HOH HOH A . 
I 7 HOH 298 898  554 HOH HOH A . 
I 7 HOH 299 899  452 HOH HOH A . 
I 7 HOH 300 900  262 HOH HOH A . 
I 7 HOH 301 901  497 HOH HOH A . 
I 7 HOH 302 902  138 HOH HOH A . 
I 7 HOH 303 903  109 HOH HOH A . 
I 7 HOH 304 904  35  HOH HOH A . 
I 7 HOH 305 905  86  HOH HOH A . 
I 7 HOH 306 906  134 HOH HOH A . 
I 7 HOH 307 907  161 HOH HOH A . 
I 7 HOH 308 908  219 HOH HOH A . 
I 7 HOH 309 909  471 HOH HOH A . 
I 7 HOH 310 910  430 HOH HOH A . 
I 7 HOH 311 911  143 HOH HOH A . 
I 7 HOH 312 912  310 HOH HOH A . 
I 7 HOH 313 913  169 HOH HOH A . 
I 7 HOH 314 914  437 HOH HOH A . 
I 7 HOH 315 915  193 HOH HOH A . 
I 7 HOH 316 916  141 HOH HOH A . 
I 7 HOH 317 917  544 HOH HOH A . 
I 7 HOH 318 918  320 HOH HOH A . 
I 7 HOH 319 919  347 HOH HOH A . 
I 7 HOH 320 920  575 HOH HOH A . 
I 7 HOH 321 921  487 HOH HOH A . 
I 7 HOH 322 922  511 HOH HOH A . 
I 7 HOH 323 923  499 HOH HOH A . 
I 7 HOH 324 924  477 HOH HOH A . 
I 7 HOH 325 925  423 HOH HOH A . 
I 7 HOH 326 926  190 HOH HOH A . 
I 7 HOH 327 927  126 HOH HOH A . 
I 7 HOH 328 928  215 HOH HOH A . 
I 7 HOH 329 929  247 HOH HOH A . 
I 7 HOH 330 930  372 HOH HOH A . 
I 7 HOH 331 931  474 HOH HOH A . 
I 7 HOH 332 932  514 HOH HOH A . 
I 7 HOH 333 933  352 HOH HOH A . 
I 7 HOH 334 934  558 HOH HOH A . 
I 7 HOH 335 935  192 HOH HOH A . 
I 7 HOH 336 936  351 HOH HOH A . 
I 7 HOH 337 937  329 HOH HOH A . 
I 7 HOH 338 938  549 HOH HOH A . 
I 7 HOH 339 939  197 HOH HOH A . 
I 7 HOH 340 940  281 HOH HOH A . 
I 7 HOH 341 941  568 HOH HOH A . 
I 7 HOH 342 942  583 HOH HOH A . 
I 7 HOH 343 943  402 HOH HOH A . 
I 7 HOH 344 944  380 HOH HOH A . 
I 7 HOH 345 945  539 HOH HOH A . 
I 7 HOH 346 946  153 HOH HOH A . 
I 7 HOH 347 947  455 HOH HOH A . 
I 7 HOH 348 948  291 HOH HOH A . 
I 7 HOH 349 949  65  HOH HOH A . 
I 7 HOH 350 950  223 HOH HOH A . 
I 7 HOH 351 951  531 HOH HOH A . 
I 7 HOH 352 952  498 HOH HOH A . 
I 7 HOH 353 953  508 HOH HOH A . 
I 7 HOH 354 954  500 HOH HOH A . 
I 7 HOH 355 955  441 HOH HOH A . 
I 7 HOH 356 956  537 HOH HOH A . 
I 7 HOH 357 957  272 HOH HOH A . 
I 7 HOH 358 958  240 HOH HOH A . 
I 7 HOH 359 959  461 HOH HOH A . 
I 7 HOH 360 960  179 HOH HOH A . 
I 7 HOH 361 961  236 HOH HOH A . 
I 7 HOH 362 962  528 HOH HOH A . 
I 7 HOH 363 963  265 HOH HOH A . 
I 7 HOH 364 964  451 HOH HOH A . 
I 7 HOH 365 965  370 HOH HOH A . 
I 7 HOH 366 966  453 HOH HOH A . 
I 7 HOH 367 967  545 HOH HOH A . 
I 7 HOH 368 968  478 HOH HOH A . 
I 7 HOH 369 969  335 HOH HOH A . 
I 7 HOH 370 970  374 HOH HOH A . 
I 7 HOH 371 971  424 HOH HOH A . 
I 7 HOH 372 972  543 HOH HOH A . 
I 7 HOH 373 973  114 HOH HOH A . 
I 7 HOH 374 974  184 HOH HOH A . 
I 7 HOH 375 975  440 HOH HOH A . 
I 7 HOH 376 976  385 HOH HOH A . 
I 7 HOH 377 977  249 HOH HOH A . 
I 7 HOH 378 978  563 HOH HOH A . 
I 7 HOH 379 979  396 HOH HOH A . 
I 7 HOH 380 980  534 HOH HOH A . 
I 7 HOH 381 981  431 HOH HOH A . 
I 7 HOH 382 982  445 HOH HOH A . 
I 7 HOH 383 983  294 HOH HOH A . 
I 7 HOH 384 984  277 HOH HOH A . 
I 7 HOH 385 985  283 HOH HOH A . 
I 7 HOH 386 986  393 HOH HOH A . 
I 7 HOH 387 987  361 HOH HOH A . 
I 7 HOH 388 988  420 HOH HOH A . 
I 7 HOH 389 989  107 HOH HOH A . 
I 7 HOH 390 990  164 HOH HOH A . 
I 7 HOH 391 991  494 HOH HOH A . 
I 7 HOH 392 992  255 HOH HOH A . 
I 7 HOH 393 993  449 HOH HOH A . 
I 7 HOH 394 994  146 HOH HOH A . 
I 7 HOH 395 995  172 HOH HOH A . 
I 7 HOH 396 996  553 HOH HOH A . 
I 7 HOH 397 997  585 HOH HOH A . 
I 7 HOH 398 998  68  HOH HOH A . 
I 7 HOH 399 999  550 HOH HOH A . 
I 7 HOH 400 1000 432 HOH HOH A . 
I 7 HOH 401 1001 203 HOH HOH A . 
I 7 HOH 402 1002 417 HOH HOH A . 
I 7 HOH 403 1003 458 HOH HOH A . 
I 7 HOH 404 1004 527 HOH HOH A . 
I 7 HOH 405 1005 330 HOH HOH A . 
I 7 HOH 406 1006 112 HOH HOH A . 
I 7 HOH 407 1007 395 HOH HOH A . 
I 7 HOH 408 1008 274 HOH HOH A . 
I 7 HOH 409 1009 209 HOH HOH A . 
I 7 HOH 410 1010 579 HOH HOH A . 
I 7 HOH 411 1011 564 HOH HOH A . 
I 7 HOH 412 1012 416 HOH HOH A . 
I 7 HOH 413 1013 348 HOH HOH A . 
I 7 HOH 414 1014 62  HOH HOH A . 
I 7 HOH 415 1015 306 HOH HOH A . 
I 7 HOH 416 1016 388 HOH HOH A . 
I 7 HOH 417 1017 233 HOH HOH A . 
I 7 HOH 418 1018 466 HOH HOH A . 
I 7 HOH 419 1019 362 HOH HOH A . 
I 7 HOH 420 1020 442 HOH HOH A . 
I 7 HOH 421 1021 261 HOH HOH A . 
I 7 HOH 422 1022 142 HOH HOH A . 
I 7 HOH 423 1023 119 HOH HOH A . 
I 7 HOH 424 1024 468 HOH HOH A . 
I 7 HOH 425 1025 331 HOH HOH A . 
I 7 HOH 426 1026 541 HOH HOH A . 
I 7 HOH 427 1027 270 HOH HOH A . 
I 7 HOH 428 1028 456 HOH HOH A . 
I 7 HOH 429 1029 394 HOH HOH A . 
I 7 HOH 430 1030 336 HOH HOH A . 
I 7 HOH 431 1031 296 HOH HOH A . 
I 7 HOH 432 1032 130 HOH HOH A . 
I 7 HOH 433 1033 278 HOH HOH A . 
I 7 HOH 434 1034 446 HOH HOH A . 
I 7 HOH 435 1035 465 HOH HOH A . 
I 7 HOH 436 1036 484 HOH HOH A . 
I 7 HOH 437 1037 584 HOH HOH A . 
I 7 HOH 438 1038 460 HOH HOH A . 
I 7 HOH 439 1039 489 HOH HOH A . 
I 7 HOH 440 1040 217 HOH HOH A . 
I 7 HOH 441 1041 530 HOH HOH A . 
I 7 HOH 442 1042 147 HOH HOH A . 
I 7 HOH 443 1043 513 HOH HOH A . 
I 7 HOH 444 1044 435 HOH HOH A . 
I 7 HOH 445 1045 427 HOH HOH A . 
I 7 HOH 446 1046 467 HOH HOH A . 
I 7 HOH 447 1047 472 HOH HOH A . 
I 7 HOH 448 1048 381 HOH HOH A . 
I 7 HOH 449 1049 398 HOH HOH A . 
I 7 HOH 450 1050 409 HOH HOH A . 
I 7 HOH 451 1051 144 HOH HOH A . 
I 7 HOH 452 1052 415 HOH HOH A . 
I 7 HOH 453 1053 307 HOH HOH A . 
I 7 HOH 454 1054 454 HOH HOH A . 
I 7 HOH 455 1055 555 HOH HOH A . 
I 7 HOH 456 1056 266 HOH HOH A . 
I 7 HOH 457 1057 404 HOH HOH A . 
I 7 HOH 458 1058 80  HOH HOH A . 
I 7 HOH 459 1059 212 HOH HOH A . 
I 7 HOH 460 1060 341 HOH HOH A . 
I 7 HOH 461 1061 480 HOH HOH A . 
I 7 HOH 462 1062 533 HOH HOH A . 
I 7 HOH 463 1063 246 HOH HOH A . 
I 7 HOH 464 1064 384 HOH HOH A . 
I 7 HOH 465 1065 475 HOH HOH A . 
I 7 HOH 466 1066 571 HOH HOH A . 
I 7 HOH 467 1067 463 HOH HOH A . 
I 7 HOH 468 1068 469 HOH HOH A . 
I 7 HOH 469 1069 303 HOH HOH A . 
I 7 HOH 470 1070 422 HOH HOH A . 
I 7 HOH 471 1071 349 HOH HOH A . 
I 7 HOH 472 1072 532 HOH HOH A . 
I 7 HOH 473 1073 297 HOH HOH A . 
I 7 HOH 474 1074 191 HOH HOH A . 
I 7 HOH 475 1075 414 HOH HOH A . 
I 7 HOH 476 1076 323 HOH HOH A . 
I 7 HOH 477 1077 476 HOH HOH A . 
I 7 HOH 478 1078 560 HOH HOH A . 
I 7 HOH 479 1079 567 HOH HOH A . 
I 7 HOH 480 1080 459 HOH HOH A . 
I 7 HOH 481 1081 535 HOH HOH A . 
I 7 HOH 482 1082 492 HOH HOH A . 
I 7 HOH 483 1083 561 HOH HOH A . 
I 7 HOH 484 1084 425 HOH HOH A . 
I 7 HOH 485 1085 228 HOH HOH A . 
I 7 HOH 486 1086 269 HOH HOH A . 
I 7 HOH 487 1087 194 HOH HOH A . 
I 7 HOH 488 1088 275 HOH HOH A . 
I 7 HOH 489 1089 317 HOH HOH A . 
I 7 HOH 490 1090 547 HOH HOH A . 
I 7 HOH 491 1091 565 HOH HOH A . 
I 7 HOH 492 1092 447 HOH HOH A . 
I 7 HOH 493 1093 167 HOH HOH A . 
I 7 HOH 494 1094 551 HOH HOH A . 
I 7 HOH 495 1095 378 HOH HOH A . 
I 7 HOH 496 1096 552 HOH HOH A . 
I 7 HOH 497 1097 486 HOH HOH A . 
I 7 HOH 498 1098 521 HOH HOH A . 
I 7 HOH 499 1099 536 HOH HOH A . 
I 7 HOH 500 1100 462 HOH HOH A . 
I 7 HOH 501 1101 504 HOH HOH A . 
I 7 HOH 502 1102 503 HOH HOH A . 
I 7 HOH 503 1103 473 HOH HOH A . 
I 7 HOH 504 1104 490 HOH HOH A . 
I 7 HOH 505 1105 482 HOH HOH A . 
I 7 HOH 506 1106 562 HOH HOH A . 
I 7 HOH 507 1107 401 HOH HOH A . 
I 7 HOH 508 1108 502 HOH HOH A . 
I 7 HOH 509 1109 505 HOH HOH A . 
I 7 HOH 510 1110 572 HOH HOH A . 
I 7 HOH 511 1111 481 HOH HOH A . 
I 7 HOH 512 1112 515 HOH HOH A . 
I 7 HOH 513 1113 483 HOH HOH A . 
I 7 HOH 514 1114 516 HOH HOH A . 
I 7 HOH 515 1115 517 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0411 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8Z2Y 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     81.290 
_cell.length_a_esd                 ? 
_cell.length_b                     81.290 
_cell.length_b_esd                 ? 
_cell.length_c                     114.740 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8Z2Y 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                154 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 32 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8Z2Y 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.42 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.15 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.3 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2M Sodium tartrate dibasic dihydrate, 20% w/v Polyethylene glycol 3350' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'MAR CCD 300 mm' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-02-27 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97893 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RRCAT INDUS-2 BEAMLINE PX-BL21' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97893 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   PX-BL21 
_diffrn_source.pdbx_synchrotron_site       'RRCAT INDUS-2' 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8Z2Y 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.2 
_reflns.d_resolution_low                               20 
_reflns.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.number_all                                     ? 
_reflns.number_obs                                     134619 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.3 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10.17 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.72 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.2 
_reflns_shell.d_res_low                                     1.4 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             48574 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.858 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.62 
_refine.aniso_B[1][2]                            -0.31 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            -0.62 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            2.00 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               9.875 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.973 
_refine.correlation_coeff_Fo_to_Fc_free          0.968 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8Z2Y 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.20 
_refine.ls_d_res_low                             19.53 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     127482 
_refine.ls_number_reflns_R_free                  6709 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.95 
_refine.ls_percent_reflns_R_free                 5.0 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.16220 
_refine.ls_R_factor_R_free                       0.18505 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.16101 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.038 
_refine.pdbx_overall_ESU_R_Free                  0.038 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.479 
_refine.overall_SU_ML                            0.028 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.20 
_refine_hist.d_res_low                        19.53 
_refine_hist.number_atoms_solvent             515 
_refine_hist.number_atoms_total               3508 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        2951 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         42 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.012  0.012  3094 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  2760 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.791  1.635  4206 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.636  1.575  6372 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.594  5.000  387  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 6.135  5.000  12   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 12.080 10.000 464  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.111  0.200  438  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  3657 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  723  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'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        ? ? 
'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       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'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' ? 0.716  0.871  1536 ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 0.712  0.871  1536 ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 0.969  1.569  1921 ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 0.968  1.571  1922 ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 1.103  1.043  1558 ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.102  1.043  1559 ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 1.491  1.826  2284 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 3.935  15.87  3984 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 2.578  11.31  3785 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? 4.527  3.000  5854 ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.200 
_refine_ls_shell.d_res_low                        1.231 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             446 
_refine_ls_shell.number_reflns_R_work             8481 
_refine_ls_shell.percent_reflns_obs               89.37 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.378 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.400 
# 
_struct.entry_id                     8Z2Y 
_struct.title                        
'High-resolution crystal structure of exo-beta-(1,3)-glucanase from Aspergillus oryzae (AoBgl) as a complex with glucose' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8Z2Y 
_struct_keywords.text            'cellobiose, glucose, exoglucanase, Aspergillus oryzae, GH5, laminarin, laminaritriose, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 3 ? 
F N N 4 ? 
G N N 5 ? 
H N N 6 ? 
I N N 7 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    EXGA_ASPOR 
_struct_ref.pdbx_db_accession          Q7Z9L3 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MLPLLLCIVPYCWSSRLDPRASSFDYNGEKVRGVNLGGWLVLEPWITPSIFDAAGAEAVDEWSLTKILGKEEAEARLSAH
WKSFVSAGDFQRMADAGLNHVRIPIGYWALGPLEGDPYVDGQLEYLDKAVEWAGAAGLKVLIDLHGAPGSQNGFDNSGRR
GAIQWQQGDTVEQTLDAFDLLAERYLGSDTVAAIEAINEPNIPGGVDQGKLQEYYGSVYGIVNKYNAGTSVVYGDGFLPV
ESWNGFKTEGSKVVMDTHHYHMFDNGLIAMDIDSHIDAVCQFAHQHLEASDKPVIVGEWTGAVTDCAKYLNGKGNGARYD
GSYAADKAIGDCSSLATGFVSKLSDEERSDMRRFIEAQLDAFELKSGWVFWTWKTEGAPGWDMSDLLEAGVFPTSPDDRE
FPKQC
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8Z2Y 
_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                 405 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q7Z9L3 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  405 
_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       405 
# 
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 8Z2Y HIS A 406 ? UNP Q7Z9L3 ? ? 'expression tag' 406 1 
1 8Z2Y HIS A 407 ? UNP Q7Z9L3 ? ? 'expression tag' 407 2 
1 8Z2Y HIS A 408 ? UNP Q7Z9L3 ? ? 'expression tag' 408 3 
1 8Z2Y HIS A 409 ? UNP Q7Z9L3 ? ? 'expression tag' 409 4 
1 8Z2Y HIS A 410 ? UNP Q7Z9L3 ? ? 'expression tag' 410 5 
1 8Z2Y HIS A 411 ? UNP Q7Z9L3 ? ? 'expression tag' 411 6 
# 
_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 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 140   ? 
1 MORE         -10   ? 
1 'SSA (A^2)'  14020 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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_
_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  AA1 THR A 47  ? ALA A 53  ? THR A 47  ALA A 53  1 ? 7  
HELX_P HELX_P2  AA2 ASP A 60  ? GLY A 69  ? ASP A 60  GLY A 69  1 ? 10 
HELX_P HELX_P3  AA3 GLY A 69  ? VAL A 85  ? GLY A 69  VAL A 85  1 ? 17 
HELX_P HELX_P4  AA4 SER A 86  ? ALA A 96  ? SER A 86  ALA A 96  1 ? 11 
HELX_P HELX_P5  AA5 TRP A 108 ? GLY A 111 ? TRP A 108 GLY A 111 5 ? 4  
HELX_P HELX_P6  AA6 GLY A 121 ? GLY A 137 ? GLY A 121 GLY A 137 1 ? 17 
HELX_P HELX_P7  AA7 PHE A 154 ? GLY A 158 ? PHE A 154 GLY A 158 5 ? 5  
HELX_P HELX_P8  AA8 ASP A 169 ? LEU A 186 ? ASP A 169 LEU A 186 1 ? 18 
HELX_P HELX_P9  AA9 ASP A 207 ? ASN A 226 ? ASP A 207 ASN A 226 1 ? 20 
HELX_P HELX_P10 AB1 PRO A 239 ? ASN A 244 ? PRO A 239 ASN A 244 5 ? 6  
HELX_P HELX_P11 AB2 GLU A 249 ? SER A 251 ? GLU A 249 SER A 251 5 ? 3  
HELX_P HELX_P12 AB3 ASP A 264 ? ALA A 269 ? ASP A 264 ALA A 269 1 ? 6  
HELX_P HELX_P13 AB4 ASP A 271 ? HIS A 286 ? ASP A 271 HIS A 286 1 ? 16 
HELX_P HELX_P14 AB5 LEU A 287 ? SER A 290 ? LEU A 287 SER A 290 5 ? 4  
HELX_P HELX_P15 AB6 PHE A 339 ? LEU A 343 ? PHE A 339 LEU A 343 5 ? 5  
HELX_P HELX_P16 AB7 SER A 344 ? GLU A 363 ? SER A 344 GLU A 363 1 ? 20 
HELX_P HELX_P17 AB8 ASP A 382 ? ALA A 389 ? ASP A 382 ALA A 389 1 ? 8  
# 
_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 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 280 SG ? ? ? 1_555 A CYS 405 SG ? ? A CYS 280 A CYS 405  1_555 ? ? ? ? ? ? ? 2.004 ? ? 
disulf2 disulf ? ? A CYS 306 SG ? ? ? 1_555 A CYS 332 SG ? ? A CYS 306 A CYS 332  1_555 ? ? ? ? ? ? ? 2.093 ? ? 
metalc1 metalc ? ? A CYS 306 O  ? ? ? 1_555 H NA  .   NA ? ? A CYS 306 A NA  507  1_555 ? ? ? ? ? ? ? 2.705 ? ? 
metalc2 metalc ? ? H NA  .   NA ? ? ? 1_555 I HOH .   O  ? ? A NA  507 A HOH 1014 1_555 ? ? ? ? ? ? ? 2.845 ? ? 
metalc3 metalc ? ? H NA  .   NA ? ? ? 1_555 I HOH .   O  ? ? A NA  507 A HOH 1054 1_555 ? ? ? ? ? ? ? 3.025 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 O ? A CYS 306 ? A CYS 306  ? 1_555 NA ? H NA . ? A NA 507 ? 1_555 O ? I HOH . ? A HOH 1014 ? 1_555 104.3 ? 
2 O ? A CYS 306 ? A CYS 306  ? 1_555 NA ? H NA . ? A NA 507 ? 1_555 O ? I HOH . ? A HOH 1054 ? 1_555 112.5 ? 
3 O ? I HOH .   ? A HOH 1014 ? 1_555 NA ? H NA . ? A NA 507 ? 1_555 O ? I HOH . ? A HOH 1054 ? 1_555 111.2 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 280 ? CYS A 405 ? CYS A 280 ? 1_555 CYS A 405 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 306 ? CYS A 332 ? CYS A 306 ? 1_555 CYS A 332 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          TRP 
_struct_mon_prot_cis.label_seq_id           371 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           TRP 
_struct_mon_prot_cis.auth_seq_id            371 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   THR 
_struct_mon_prot_cis.pdbx_label_seq_id_2    372 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    THR 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     372 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       11.22 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   9 
_struct_sheet.details          ? 
# 
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 
AA1 1 2 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
AA1 5 6 ? parallel 
AA1 6 7 ? parallel 
AA1 7 8 ? parallel 
AA1 8 9 ? 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 
AA1 1 VAL A 31  ? ASN A 35  ? VAL A 31  ASN A 35  
AA1 2 HIS A 100 ? GLY A 106 ? HIS A 100 GLY A 106 
AA1 3 LYS A 139 ? GLY A 146 ? LYS A 139 GLY A 146 
AA1 4 VAL A 191 ? GLU A 195 ? VAL A 191 GLU A 195 
AA1 5 SER A 230 ? GLY A 234 ? SER A 230 GLY A 234 
AA1 6 VAL A 253 ? HIS A 258 ? VAL A 253 HIS A 258 
AA1 7 VAL A 294 ? GLU A 298 ? VAL A 294 GLU A 298 
AA1 8 GLY A 367 ? PHE A 370 ? GLY A 367 PHE A 370 
AA1 9 VAL A 31  ? ASN A 35  ? VAL A 31  ASN A 35  
# 
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 
AA1 1 2 N VAL A 34  ? N VAL A 34  O ARG A 102 ? O ARG A 102 
AA1 2 3 N ILE A 105 ? N ILE A 105 O HIS A 145 ? O HIS A 145 
AA1 3 4 N ILE A 142 ? N ILE A 142 O GLU A 195 ? O GLU A 195 
AA1 4 5 N ILE A 194 ? N ILE A 194 O VAL A 232 ? O VAL A 232 
AA1 5 6 N VAL A 231 ? N VAL A 231 O VAL A 254 ? O VAL A 254 
AA1 6 7 N MET A 255 ? N MET A 255 O ILE A 295 ? O ILE A 295 
AA1 7 8 N VAL A 296 ? N VAL A 296 O VAL A 369 ? O VAL A 369 
AA1 8 9 O PHE A 370 ? O PHE A 370 N ASN A 35  ? N ASN A 35  
# 
_pdbx_entry_details.entry_id                   8Z2Y 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1  1 OE1 A GLU 298  ? ? H1 A BGC 505  ? ? 1.51 
2  1 H   A ILE 163  ? ? O  A HOH 607  ? ? 1.55 
3  1 O   A HOH 1101 ? ? O  A HOH 1102 ? ? 1.76 
4  1 O   A HOH 1034 ? ? O  A HOH 1045 ? ? 1.94 
5  1 OD1 A ASN 223  ? ? O  A HOH 601  ? ? 1.96 
6  1 O   A HOH 951  ? ? O  A HOH 1072 ? ? 2.04 
7  1 O   A HOH 888  ? ? O  A HOH 1065 ? ? 2.04 
8  1 O   A HOH 641  ? ? O  A HOH 954  ? ? 2.05 
9  1 O   A HOH 962  ? ? O  A HOH 1041 ? ? 2.08 
10 1 O   A HOH 733  ? ? O  A HOH 984  ? ? 2.09 
11 1 O   A HOH 1101 ? ? O  A HOH 1108 ? ? 2.11 
12 1 O   A HOH 649  ? ? O  A HOH 971  ? ? 2.11 
13 1 O   A HOH 925  ? ? O  A HOH 936  ? ? 2.11 
14 1 O   A HOH 1078 ? ? O  A HOH 1083 ? ? 2.13 
15 1 O   A HOH 880  ? ? O  A HOH 1016 ? ? 2.13 
16 1 OE1 A GLU 298  ? ? C1 A BGC 505  ? ? 2.13 
17 1 O   A HOH 760  ? ? O  A HOH 1028 ? ? 2.14 
18 1 O   A HOH 823  ? ? O  A HOH 1005 ? ? 2.14 
19 1 O   A HOH 604  ? ? O  A HOH 702  ? ? 2.16 
20 1 N   A PHE 24   ? ? O  A HOH 602  ? ? 2.16 
21 1 O   A HOH 636  ? ? O  A HOH 1038 ? ? 2.16 
22 1 OE1 A GLU 298  ? ? O1 A BGC 505  ? ? 2.19 
23 1 O   A HOH 793  ? ? O  A HOH 888  ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O   A HOH 603  ? ? 1_555 O A HOH 730  ? ? 5_665 1.45 
2 1 O   A HOH 839  ? ? 1_555 O A HOH 1085 ? ? 5_565 1.85 
3 1 O   A HOH 933  ? ? 1_555 O A HOH 1065 ? ? 3_455 1.89 
4 1 O   A GLY 161  ? A 1_555 O A HOH 740  ? ? 2_564 1.96 
5 1 O   A GLY 161  ? B 1_555 O A HOH 740  ? ? 2_564 1.97 
6 1 O1  A EDO 501  ? ? 1_555 O A HOH 1048 ? ? 2_564 2.04 
7 1 O   A HOH 1087 ? ? 1_555 O A HOH 1097 ? ? 3_455 2.13 
8 1 NH1 A ARG 92   ? ? 1_555 O A HOH 881  ? ? 5_665 2.17 
9 1 O   A HOH 692  ? ? 1_555 O A HOH 1103 ? ? 3_455 2.19 
# 
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 NE A ARG 92 ? ? CZ A ARG 92 ? ? NH1 A ARG 92 ? ? 114.66 120.30 -5.64 0.50 N 
2 1 NE A ARG 92 ? ? CZ A ARG 92 ? ? NH2 A ARG 92 ? ? 125.31 120.30 5.01  0.50 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 39  ? ? -86.39  -71.48  
2 1 SER A 150 ? ? 76.37   118.41  
3 1 ASN A 152 ? ? -148.96 -11.47  
4 1 GLN A 166 ? ? 89.36   -7.93   
5 1 ASN A 226 ? ? -161.49 98.52   
6 1 GLU A 249 ? ? -150.55 31.45   
7 1 LYS A 365 ? ? -104.24 -106.39 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1  1 O ? A HOH 1102 ? 5.84  .    
2  1 O ? A HOH 1103 ? 6.00  .    
3  1 O ? A HOH 1104 ? .     6.15 
4  1 O ? A HOH 1105 ? 6.49  .    
5  1 O ? A HOH 1106 ? 6.63  .    
6  1 O ? A HOH 1107 ? 6.68  .    
7  1 O ? A HOH 1108 ? 7.12  .    
8  1 O ? A HOH 1109 ? 7.55  .    
9  1 O ? A HOH 1110 ? 7.90  .    
10 1 O ? A HOH 1111 ? 8.17  .    
11 1 O ? A HOH 1112 ? 8.19  .    
12 1 O ? A HOH 1113 ? 8.86  .    
13 1 O ? A HOH 1114 ? 10.10 .    
14 1 O ? A HOH 1115 ? 12.05 .    
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 1   ? A MET 1   
2  1 Y 1 A LEU 2   ? A LEU 2   
3  1 Y 1 A PRO 3   ? A PRO 3   
4  1 Y 1 A LEU 4   ? A LEU 4   
5  1 Y 1 A LEU 5   ? A LEU 5   
6  1 Y 1 A LEU 6   ? A LEU 6   
7  1 Y 1 A CYS 7   ? A CYS 7   
8  1 Y 1 A ILE 8   ? A ILE 8   
9  1 Y 1 A VAL 9   ? A VAL 9   
10 1 Y 1 A PRO 10  ? A PRO 10  
11 1 Y 1 A TYR 11  ? A TYR 11  
12 1 Y 1 A CYS 12  ? A CYS 12  
13 1 Y 1 A TRP 13  ? A TRP 13  
14 1 Y 1 A SER 14  ? A SER 14  
15 1 Y 1 A SER 15  ? A SER 15  
16 1 Y 1 A ARG 16  ? A ARG 16  
17 1 Y 1 A LEU 17  ? A LEU 17  
18 1 Y 1 A ASP 18  ? A ASP 18  
19 1 Y 1 A PRO 19  ? A PRO 19  
20 1 Y 1 A ARG 20  ? A ARG 20  
21 1 Y 1 A ALA 21  ? A ALA 21  
22 1 Y 1 A SER 22  ? A SER 22  
23 1 Y 1 A SER 23  ? A SER 23  
24 1 Y 1 A HIS 406 ? A HIS 406 
25 1 Y 1 A HIS 407 ? A HIS 407 
26 1 Y 1 A HIS 408 ? A HIS 408 
27 1 Y 1 A HIS 409 ? A HIS 409 
28 1 Y 1 A HIS 410 ? A HIS 410 
29 1 Y 1 A HIS 411 ? A HIS 411 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
BGC C2   C  N R 74  
BGC C3   C  N S 75  
BGC C4   C  N S 76  
BGC C5   C  N R 77  
BGC C6   C  N N 78  
BGC C1   C  N R 79  
BGC O1   O  N N 80  
BGC O2   O  N N 81  
BGC O3   O  N N 82  
BGC O4   O  N N 83  
BGC O5   O  N N 84  
BGC O6   O  N N 85  
BGC H2   H  N N 86  
BGC H3   H  N N 87  
BGC H4   H  N N 88  
BGC H5   H  N N 89  
BGC H61  H  N N 90  
BGC H62  H  N N 91  
BGC H1   H  N N 92  
BGC HO1  H  N N 93  
BGC HO2  H  N N 94  
BGC HO3  H  N N 95  
BGC HO4  H  N N 96  
BGC HO6  H  N N 97  
CL  CL   CL N N 98  
CYS N    N  N N 99  
CYS CA   C  N R 100 
CYS C    C  N N 101 
CYS O    O  N N 102 
CYS CB   C  N N 103 
CYS SG   S  N N 104 
CYS OXT  O  N N 105 
CYS H    H  N N 106 
CYS H2   H  N N 107 
CYS HA   H  N N 108 
CYS HB2  H  N N 109 
CYS HB3  H  N N 110 
CYS HG   H  N N 111 
CYS HXT  H  N N 112 
EDO C1   C  N N 113 
EDO O1   O  N N 114 
EDO C2   C  N N 115 
EDO O2   O  N N 116 
EDO H11  H  N N 117 
EDO H12  H  N N 118 
EDO HO1  H  N N 119 
EDO H21  H  N N 120 
EDO H22  H  N N 121 
EDO HO2  H  N N 122 
GLN N    N  N N 123 
GLN CA   C  N S 124 
GLN C    C  N N 125 
GLN O    O  N N 126 
GLN CB   C  N N 127 
GLN CG   C  N N 128 
GLN CD   C  N N 129 
GLN OE1  O  N N 130 
GLN NE2  N  N N 131 
GLN OXT  O  N N 132 
GLN H    H  N N 133 
GLN H2   H  N N 134 
GLN HA   H  N N 135 
GLN HB2  H  N N 136 
GLN HB3  H  N N 137 
GLN HG2  H  N N 138 
GLN HG3  H  N N 139 
GLN HE21 H  N N 140 
GLN HE22 H  N N 141 
GLN HXT  H  N N 142 
GLU N    N  N N 143 
GLU CA   C  N S 144 
GLU C    C  N N 145 
GLU O    O  N N 146 
GLU CB   C  N N 147 
GLU CG   C  N N 148 
GLU CD   C  N N 149 
GLU OE1  O  N N 150 
GLU OE2  O  N N 151 
GLU OXT  O  N N 152 
GLU H    H  N N 153 
GLU H2   H  N N 154 
GLU HA   H  N N 155 
GLU HB2  H  N N 156 
GLU HB3  H  N N 157 
GLU HG2  H  N N 158 
GLU HG3  H  N N 159 
GLU HE2  H  N N 160 
GLU HXT  H  N N 161 
GLY N    N  N N 162 
GLY CA   C  N N 163 
GLY C    C  N N 164 
GLY O    O  N N 165 
GLY OXT  O  N N 166 
GLY H    H  N N 167 
GLY H2   H  N N 168 
GLY HA2  H  N N 169 
GLY HA3  H  N N 170 
GLY HXT  H  N N 171 
GOL C1   C  N N 172 
GOL O1   O  N N 173 
GOL C2   C  N N 174 
GOL O2   O  N N 175 
GOL C3   C  N N 176 
GOL O3   O  N N 177 
GOL H11  H  N N 178 
GOL H12  H  N N 179 
GOL HO1  H  N N 180 
GOL H2   H  N N 181 
GOL HO2  H  N N 182 
GOL H31  H  N N 183 
GOL H32  H  N N 184 
GOL HO3  H  N N 185 
HIS N    N  N N 186 
HIS CA   C  N S 187 
HIS C    C  N N 188 
HIS O    O  N N 189 
HIS CB   C  N N 190 
HIS CG   C  Y N 191 
HIS ND1  N  Y N 192 
HIS CD2  C  Y N 193 
HIS CE1  C  Y N 194 
HIS NE2  N  Y N 195 
HIS OXT  O  N N 196 
HIS H    H  N N 197 
HIS H2   H  N N 198 
HIS HA   H  N N 199 
HIS HB2  H  N N 200 
HIS HB3  H  N N 201 
HIS HD1  H  N N 202 
HIS HD2  H  N N 203 
HIS HE1  H  N N 204 
HIS HE2  H  N N 205 
HIS HXT  H  N N 206 
HOH O    O  N N 207 
HOH H1   H  N N 208 
HOH H2   H  N N 209 
ILE N    N  N N 210 
ILE CA   C  N S 211 
ILE C    C  N N 212 
ILE O    O  N N 213 
ILE CB   C  N S 214 
ILE CG1  C  N N 215 
ILE CG2  C  N N 216 
ILE CD1  C  N N 217 
ILE OXT  O  N N 218 
ILE H    H  N N 219 
ILE H2   H  N N 220 
ILE HA   H  N N 221 
ILE HB   H  N N 222 
ILE HG12 H  N N 223 
ILE HG13 H  N N 224 
ILE HG21 H  N N 225 
ILE HG22 H  N N 226 
ILE HG23 H  N N 227 
ILE HD11 H  N N 228 
ILE HD12 H  N N 229 
ILE HD13 H  N N 230 
ILE HXT  H  N N 231 
LEU N    N  N N 232 
LEU CA   C  N S 233 
LEU C    C  N N 234 
LEU O    O  N N 235 
LEU CB   C  N N 236 
LEU CG   C  N N 237 
LEU CD1  C  N N 238 
LEU CD2  C  N N 239 
LEU OXT  O  N N 240 
LEU H    H  N N 241 
LEU H2   H  N N 242 
LEU HA   H  N N 243 
LEU HB2  H  N N 244 
LEU HB3  H  N N 245 
LEU HG   H  N N 246 
LEU HD11 H  N N 247 
LEU HD12 H  N N 248 
LEU HD13 H  N N 249 
LEU HD21 H  N N 250 
LEU HD22 H  N N 251 
LEU HD23 H  N N 252 
LEU HXT  H  N N 253 
LYS N    N  N N 254 
LYS CA   C  N S 255 
LYS C    C  N N 256 
LYS O    O  N N 257 
LYS CB   C  N N 258 
LYS CG   C  N N 259 
LYS CD   C  N N 260 
LYS CE   C  N N 261 
LYS NZ   N  N N 262 
LYS OXT  O  N N 263 
LYS H    H  N N 264 
LYS H2   H  N N 265 
LYS HA   H  N N 266 
LYS HB2  H  N N 267 
LYS HB3  H  N N 268 
LYS HG2  H  N N 269 
LYS HG3  H  N N 270 
LYS HD2  H  N N 271 
LYS HD3  H  N N 272 
LYS HE2  H  N N 273 
LYS HE3  H  N N 274 
LYS HZ1  H  N N 275 
LYS HZ2  H  N N 276 
LYS HZ3  H  N N 277 
LYS HXT  H  N N 278 
MET N    N  N N 279 
MET CA   C  N S 280 
MET C    C  N N 281 
MET O    O  N N 282 
MET CB   C  N N 283 
MET CG   C  N N 284 
MET SD   S  N N 285 
MET CE   C  N N 286 
MET OXT  O  N N 287 
MET H    H  N N 288 
MET H2   H  N N 289 
MET HA   H  N N 290 
MET HB2  H  N N 291 
MET HB3  H  N N 292 
MET HG2  H  N N 293 
MET HG3  H  N N 294 
MET HE1  H  N N 295 
MET HE2  H  N N 296 
MET HE3  H  N N 297 
MET HXT  H  N N 298 
NA  NA   NA N N 299 
PHE N    N  N N 300 
PHE CA   C  N S 301 
PHE C    C  N N 302 
PHE O    O  N N 303 
PHE CB   C  N N 304 
PHE CG   C  Y N 305 
PHE CD1  C  Y N 306 
PHE CD2  C  Y N 307 
PHE CE1  C  Y N 308 
PHE CE2  C  Y N 309 
PHE CZ   C  Y N 310 
PHE OXT  O  N N 311 
PHE H    H  N N 312 
PHE H2   H  N N 313 
PHE HA   H  N N 314 
PHE HB2  H  N N 315 
PHE HB3  H  N N 316 
PHE HD1  H  N N 317 
PHE HD2  H  N N 318 
PHE HE1  H  N N 319 
PHE HE2  H  N N 320 
PHE HZ   H  N N 321 
PHE HXT  H  N N 322 
PRO N    N  N N 323 
PRO CA   C  N S 324 
PRO C    C  N N 325 
PRO O    O  N N 326 
PRO CB   C  N N 327 
PRO CG   C  N N 328 
PRO CD   C  N N 329 
PRO OXT  O  N N 330 
PRO H    H  N N 331 
PRO HA   H  N N 332 
PRO HB2  H  N N 333 
PRO HB3  H  N N 334 
PRO HG2  H  N N 335 
PRO HG3  H  N N 336 
PRO HD2  H  N N 337 
PRO HD3  H  N N 338 
PRO HXT  H  N N 339 
SER N    N  N N 340 
SER CA   C  N S 341 
SER C    C  N N 342 
SER O    O  N N 343 
SER CB   C  N N 344 
SER OG   O  N N 345 
SER OXT  O  N N 346 
SER H    H  N N 347 
SER H2   H  N N 348 
SER HA   H  N N 349 
SER HB2  H  N N 350 
SER HB3  H  N N 351 
SER HG   H  N N 352 
SER HXT  H  N N 353 
THR N    N  N N 354 
THR CA   C  N S 355 
THR C    C  N N 356 
THR O    O  N N 357 
THR CB   C  N R 358 
THR OG1  O  N N 359 
THR CG2  C  N N 360 
THR OXT  O  N N 361 
THR H    H  N N 362 
THR H2   H  N N 363 
THR HA   H  N N 364 
THR HB   H  N N 365 
THR HG1  H  N N 366 
THR HG21 H  N N 367 
THR HG22 H  N N 368 
THR HG23 H  N N 369 
THR HXT  H  N N 370 
TRP N    N  N N 371 
TRP CA   C  N S 372 
TRP C    C  N N 373 
TRP O    O  N N 374 
TRP CB   C  N N 375 
TRP CG   C  Y N 376 
TRP CD1  C  Y N 377 
TRP CD2  C  Y N 378 
TRP NE1  N  Y N 379 
TRP CE2  C  Y N 380 
TRP CE3  C  Y N 381 
TRP CZ2  C  Y N 382 
TRP CZ3  C  Y N 383 
TRP CH2  C  Y N 384 
TRP OXT  O  N N 385 
TRP H    H  N N 386 
TRP H2   H  N N 387 
TRP HA   H  N N 388 
TRP HB2  H  N N 389 
TRP HB3  H  N N 390 
TRP HD1  H  N N 391 
TRP HE1  H  N N 392 
TRP HE3  H  N N 393 
TRP HZ2  H  N N 394 
TRP HZ3  H  N N 395 
TRP HH2  H  N N 396 
TRP HXT  H  N N 397 
TYR N    N  N N 398 
TYR CA   C  N S 399 
TYR C    C  N N 400 
TYR O    O  N N 401 
TYR CB   C  N N 402 
TYR CG   C  Y N 403 
TYR CD1  C  Y N 404 
TYR CD2  C  Y N 405 
TYR CE1  C  Y N 406 
TYR CE2  C  Y N 407 
TYR CZ   C  Y N 408 
TYR OH   O  N N 409 
TYR OXT  O  N N 410 
TYR H    H  N N 411 
TYR H2   H  N N 412 
TYR HA   H  N N 413 
TYR HB2  H  N N 414 
TYR HB3  H  N N 415 
TYR HD1  H  N N 416 
TYR HD2  H  N N 417 
TYR HE1  H  N N 418 
TYR HE2  H  N N 419 
TYR HH   H  N N 420 
TYR HXT  H  N N 421 
VAL N    N  N N 422 
VAL CA   C  N S 423 
VAL C    C  N N 424 
VAL O    O  N N 425 
VAL CB   C  N N 426 
VAL CG1  C  N N 427 
VAL CG2  C  N N 428 
VAL OXT  O  N N 429 
VAL H    H  N N 430 
VAL H2   H  N N 431 
VAL HA   H  N N 432 
VAL HB   H  N N 433 
VAL HG11 H  N N 434 
VAL HG12 H  N N 435 
VAL HG13 H  N N 436 
VAL HG21 H  N N 437 
VAL HG22 H  N N 438 
VAL HG23 H  N N 439 
VAL HXT  H  N N 440 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
BGC C2  C3   sing N N 70  
BGC C2  C1   sing N N 71  
BGC C2  O2   sing N N 72  
BGC C2  H2   sing N N 73  
BGC C3  C4   sing N N 74  
BGC C3  O3   sing N N 75  
BGC C3  H3   sing N N 76  
BGC C4  C5   sing N N 77  
BGC C4  O4   sing N N 78  
BGC C4  H4   sing N N 79  
BGC C5  C6   sing N N 80  
BGC C5  O5   sing N N 81  
BGC C5  H5   sing N N 82  
BGC C6  O6   sing N N 83  
BGC C6  H61  sing N N 84  
BGC C6  H62  sing N N 85  
BGC C1  O1   sing N N 86  
BGC C1  O5   sing N N 87  
BGC C1  H1   sing N N 88  
BGC O1  HO1  sing N N 89  
BGC O2  HO2  sing N N 90  
BGC O3  HO3  sing N N 91  
BGC O4  HO4  sing N N 92  
BGC O6  HO6  sing N N 93  
CYS N   CA   sing N N 94  
CYS N   H    sing N N 95  
CYS N   H2   sing N N 96  
CYS CA  C    sing N N 97  
CYS CA  CB   sing N N 98  
CYS CA  HA   sing N N 99  
CYS C   O    doub N N 100 
CYS C   OXT  sing N N 101 
CYS CB  SG   sing N N 102 
CYS CB  HB2  sing N N 103 
CYS CB  HB3  sing N N 104 
CYS SG  HG   sing N N 105 
CYS OXT HXT  sing N N 106 
EDO C1  O1   sing N N 107 
EDO C1  C2   sing N N 108 
EDO C1  H11  sing N N 109 
EDO C1  H12  sing N N 110 
EDO O1  HO1  sing N N 111 
EDO C2  O2   sing N N 112 
EDO C2  H21  sing N N 113 
EDO C2  H22  sing N N 114 
EDO O2  HO2  sing N N 115 
GLN N   CA   sing N N 116 
GLN N   H    sing N N 117 
GLN N   H2   sing N N 118 
GLN CA  C    sing N N 119 
GLN CA  CB   sing N N 120 
GLN CA  HA   sing N N 121 
GLN C   O    doub N N 122 
GLN C   OXT  sing N N 123 
GLN CB  CG   sing N N 124 
GLN CB  HB2  sing N N 125 
GLN CB  HB3  sing N N 126 
GLN CG  CD   sing N N 127 
GLN CG  HG2  sing N N 128 
GLN CG  HG3  sing N N 129 
GLN CD  OE1  doub N N 130 
GLN CD  NE2  sing N N 131 
GLN NE2 HE21 sing N N 132 
GLN NE2 HE22 sing N N 133 
GLN OXT HXT  sing N N 134 
GLU N   CA   sing N N 135 
GLU N   H    sing N N 136 
GLU N   H2   sing N N 137 
GLU CA  C    sing N N 138 
GLU CA  CB   sing N N 139 
GLU CA  HA   sing N N 140 
GLU C   O    doub N N 141 
GLU C   OXT  sing N N 142 
GLU CB  CG   sing N N 143 
GLU CB  HB2  sing N N 144 
GLU CB  HB3  sing N N 145 
GLU CG  CD   sing N N 146 
GLU CG  HG2  sing N N 147 
GLU CG  HG3  sing N N 148 
GLU CD  OE1  doub N N 149 
GLU CD  OE2  sing N N 150 
GLU OE2 HE2  sing N N 151 
GLU OXT HXT  sing N N 152 
GLY N   CA   sing N N 153 
GLY N   H    sing N N 154 
GLY N   H2   sing N N 155 
GLY CA  C    sing N N 156 
GLY CA  HA2  sing N N 157 
GLY CA  HA3  sing N N 158 
GLY C   O    doub N N 159 
GLY C   OXT  sing N N 160 
GLY OXT HXT  sing N N 161 
GOL C1  O1   sing N N 162 
GOL C1  C2   sing N N 163 
GOL C1  H11  sing N N 164 
GOL C1  H12  sing N N 165 
GOL O1  HO1  sing N N 166 
GOL C2  O2   sing N N 167 
GOL C2  C3   sing N N 168 
GOL C2  H2   sing N N 169 
GOL O2  HO2  sing N N 170 
GOL C3  O3   sing N N 171 
GOL C3  H31  sing N N 172 
GOL C3  H32  sing N N 173 
GOL O3  HO3  sing N N 174 
HIS N   CA   sing N N 175 
HIS N   H    sing N N 176 
HIS N   H2   sing N N 177 
HIS CA  C    sing N N 178 
HIS CA  CB   sing N N 179 
HIS CA  HA   sing N N 180 
HIS C   O    doub N N 181 
HIS C   OXT  sing N N 182 
HIS CB  CG   sing N N 183 
HIS CB  HB2  sing N N 184 
HIS CB  HB3  sing N N 185 
HIS CG  ND1  sing Y N 186 
HIS CG  CD2  doub Y N 187 
HIS ND1 CE1  doub Y N 188 
HIS ND1 HD1  sing N N 189 
HIS CD2 NE2  sing Y N 190 
HIS CD2 HD2  sing N N 191 
HIS CE1 NE2  sing Y N 192 
HIS CE1 HE1  sing N N 193 
HIS NE2 HE2  sing N N 194 
HIS OXT HXT  sing N N 195 
HOH O   H1   sing N N 196 
HOH O   H2   sing N N 197 
ILE N   CA   sing N N 198 
ILE N   H    sing N N 199 
ILE N   H2   sing N N 200 
ILE CA  C    sing N N 201 
ILE CA  CB   sing N N 202 
ILE CA  HA   sing N N 203 
ILE C   O    doub N N 204 
ILE C   OXT  sing N N 205 
ILE CB  CG1  sing N N 206 
ILE CB  CG2  sing N N 207 
ILE CB  HB   sing N N 208 
ILE CG1 CD1  sing N N 209 
ILE CG1 HG12 sing N N 210 
ILE CG1 HG13 sing N N 211 
ILE CG2 HG21 sing N N 212 
ILE CG2 HG22 sing N N 213 
ILE CG2 HG23 sing N N 214 
ILE CD1 HD11 sing N N 215 
ILE CD1 HD12 sing N N 216 
ILE CD1 HD13 sing N N 217 
ILE OXT HXT  sing N N 218 
LEU N   CA   sing N N 219 
LEU N   H    sing N N 220 
LEU N   H2   sing N N 221 
LEU CA  C    sing N N 222 
LEU CA  CB   sing N N 223 
LEU CA  HA   sing N N 224 
LEU C   O    doub N N 225 
LEU C   OXT  sing N N 226 
LEU CB  CG   sing N N 227 
LEU CB  HB2  sing N N 228 
LEU CB  HB3  sing N N 229 
LEU CG  CD1  sing N N 230 
LEU CG  CD2  sing N N 231 
LEU CG  HG   sing N N 232 
LEU CD1 HD11 sing N N 233 
LEU CD1 HD12 sing N N 234 
LEU CD1 HD13 sing N N 235 
LEU CD2 HD21 sing N N 236 
LEU CD2 HD22 sing N N 237 
LEU CD2 HD23 sing N N 238 
LEU OXT HXT  sing N N 239 
LYS N   CA   sing N N 240 
LYS N   H    sing N N 241 
LYS N   H2   sing N N 242 
LYS CA  C    sing N N 243 
LYS CA  CB   sing N N 244 
LYS CA  HA   sing N N 245 
LYS C   O    doub N N 246 
LYS C   OXT  sing N N 247 
LYS CB  CG   sing N N 248 
LYS CB  HB2  sing N N 249 
LYS CB  HB3  sing N N 250 
LYS CG  CD   sing N N 251 
LYS CG  HG2  sing N N 252 
LYS CG  HG3  sing N N 253 
LYS CD  CE   sing N N 254 
LYS CD  HD2  sing N N 255 
LYS CD  HD3  sing N N 256 
LYS CE  NZ   sing N N 257 
LYS CE  HE2  sing N N 258 
LYS CE  HE3  sing N N 259 
LYS NZ  HZ1  sing N N 260 
LYS NZ  HZ2  sing N N 261 
LYS NZ  HZ3  sing N N 262 
LYS OXT HXT  sing N N 263 
MET N   CA   sing N N 264 
MET N   H    sing N N 265 
MET N   H2   sing N N 266 
MET CA  C    sing N N 267 
MET CA  CB   sing N N 268 
MET CA  HA   sing N N 269 
MET C   O    doub N N 270 
MET C   OXT  sing N N 271 
MET CB  CG   sing N N 272 
MET CB  HB2  sing N N 273 
MET CB  HB3  sing N N 274 
MET CG  SD   sing N N 275 
MET CG  HG2  sing N N 276 
MET CG  HG3  sing N N 277 
MET SD  CE   sing N N 278 
MET CE  HE1  sing N N 279 
MET CE  HE2  sing N N 280 
MET CE  HE3  sing N N 281 
MET OXT HXT  sing N N 282 
PHE N   CA   sing N N 283 
PHE N   H    sing N N 284 
PHE N   H2   sing N N 285 
PHE CA  C    sing N N 286 
PHE CA  CB   sing N N 287 
PHE CA  HA   sing N N 288 
PHE C   O    doub N N 289 
PHE C   OXT  sing N N 290 
PHE CB  CG   sing N N 291 
PHE CB  HB2  sing N N 292 
PHE CB  HB3  sing N N 293 
PHE CG  CD1  doub Y N 294 
PHE CG  CD2  sing Y N 295 
PHE CD1 CE1  sing Y N 296 
PHE CD1 HD1  sing N N 297 
PHE CD2 CE2  doub Y N 298 
PHE CD2 HD2  sing N N 299 
PHE CE1 CZ   doub Y N 300 
PHE CE1 HE1  sing N N 301 
PHE CE2 CZ   sing Y N 302 
PHE CE2 HE2  sing N N 303 
PHE CZ  HZ   sing N N 304 
PHE OXT HXT  sing N N 305 
PRO N   CA   sing N N 306 
PRO N   CD   sing N N 307 
PRO N   H    sing N N 308 
PRO CA  C    sing N N 309 
PRO CA  CB   sing N N 310 
PRO CA  HA   sing N N 311 
PRO C   O    doub N N 312 
PRO C   OXT  sing N N 313 
PRO CB  CG   sing N N 314 
PRO CB  HB2  sing N N 315 
PRO CB  HB3  sing N N 316 
PRO CG  CD   sing N N 317 
PRO CG  HG2  sing N N 318 
PRO CG  HG3  sing N N 319 
PRO CD  HD2  sing N N 320 
PRO CD  HD3  sing N N 321 
PRO OXT HXT  sing N N 322 
SER N   CA   sing N N 323 
SER N   H    sing N N 324 
SER N   H2   sing N N 325 
SER CA  C    sing N N 326 
SER CA  CB   sing N N 327 
SER CA  HA   sing N N 328 
SER C   O    doub N N 329 
SER C   OXT  sing N N 330 
SER CB  OG   sing N N 331 
SER CB  HB2  sing N N 332 
SER CB  HB3  sing N N 333 
SER OG  HG   sing N N 334 
SER OXT HXT  sing N N 335 
THR N   CA   sing N N 336 
THR N   H    sing N N 337 
THR N   H2   sing N N 338 
THR CA  C    sing N N 339 
THR CA  CB   sing N N 340 
THR CA  HA   sing N N 341 
THR C   O    doub N N 342 
THR C   OXT  sing N N 343 
THR CB  OG1  sing N N 344 
THR CB  CG2  sing N N 345 
THR CB  HB   sing N N 346 
THR OG1 HG1  sing N N 347 
THR CG2 HG21 sing N N 348 
THR CG2 HG22 sing N N 349 
THR CG2 HG23 sing N N 350 
THR OXT HXT  sing N N 351 
TRP N   CA   sing N N 352 
TRP N   H    sing N N 353 
TRP N   H2   sing N N 354 
TRP CA  C    sing N N 355 
TRP CA  CB   sing N N 356 
TRP CA  HA   sing N N 357 
TRP C   O    doub N N 358 
TRP C   OXT  sing N N 359 
TRP CB  CG   sing N N 360 
TRP CB  HB2  sing N N 361 
TRP CB  HB3  sing N N 362 
TRP CG  CD1  doub Y N 363 
TRP CG  CD2  sing Y N 364 
TRP CD1 NE1  sing Y N 365 
TRP CD1 HD1  sing N N 366 
TRP CD2 CE2  doub Y N 367 
TRP CD2 CE3  sing Y N 368 
TRP NE1 CE2  sing Y N 369 
TRP NE1 HE1  sing N N 370 
TRP CE2 CZ2  sing Y N 371 
TRP CE3 CZ3  doub Y N 372 
TRP CE3 HE3  sing N N 373 
TRP CZ2 CH2  doub Y N 374 
TRP CZ2 HZ2  sing N N 375 
TRP CZ3 CH2  sing Y N 376 
TRP CZ3 HZ3  sing N N 377 
TRP CH2 HH2  sing N N 378 
TRP OXT HXT  sing N N 379 
TYR N   CA   sing N N 380 
TYR N   H    sing N N 381 
TYR N   H2   sing N N 382 
TYR CA  C    sing N N 383 
TYR CA  CB   sing N N 384 
TYR CA  HA   sing N N 385 
TYR C   O    doub N N 386 
TYR C   OXT  sing N N 387 
TYR CB  CG   sing N N 388 
TYR CB  HB2  sing N N 389 
TYR CB  HB3  sing N N 390 
TYR CG  CD1  doub Y N 391 
TYR CG  CD2  sing Y N 392 
TYR CD1 CE1  sing Y N 393 
TYR CD1 HD1  sing N N 394 
TYR CD2 CE2  doub Y N 395 
TYR CD2 HD2  sing N N 396 
TYR CE1 CZ   doub Y N 397 
TYR CE1 HE1  sing N N 398 
TYR CE2 CZ   sing Y N 399 
TYR CE2 HE2  sing N N 400 
TYR CZ  OH   sing N N 401 
TYR OH  HH   sing N N 402 
TYR OXT HXT  sing N N 403 
VAL N   CA   sing N N 404 
VAL N   H    sing N N 405 
VAL N   H2   sing N N 406 
VAL CA  C    sing N N 407 
VAL CA  CB   sing N N 408 
VAL CA  HA   sing N N 409 
VAL C   O    doub N N 410 
VAL C   OXT  sing N N 411 
VAL CB  CG1  sing N N 412 
VAL CB  CG2  sing N N 413 
VAL CB  HB   sing N N 414 
VAL CG1 HG11 sing N N 415 
VAL CG1 HG12 sing N N 416 
VAL CG1 HG13 sing N N 417 
VAL CG2 HG21 sing N N 418 
VAL CG2 HG22 sing N N 419 
VAL CG2 HG23 sing N N 420 
VAL OXT HXT  sing N N 421 
# 
_pdbx_audit_support.funding_organization   'Department of Biotechnology (DBT, India)' 
_pdbx_audit_support.country                India 
_pdbx_audit_support.grant_number           BT/PR41982/PBD/26/822/2021 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1CZ1 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8Z2Y 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.012302 
_atom_sites.fract_transf_matrix[1][2]   0.007102 
_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]   0.014205 
_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]   0.008715 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CL 
H  
N  
NA 
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    . PHE A 1 24  ? -41.503 34.346 32.478  1.00 22.07  ?  24   PHE A N    1 
ATOM   2    C  CA   . PHE A 1 24  ? -41.320 35.696 31.884  1.00 16.71  ?  24   PHE A CA   1 
ATOM   3    C  C    . PHE A 1 24  ? -42.696 36.219 31.496  1.00 14.22  ?  24   PHE A C    1 
ATOM   4    O  O    . PHE A 1 24  ? -43.479 35.486 30.910  1.00 15.42  ?  24   PHE A O    1 
ATOM   5    C  CB   . PHE A 1 24  ? -40.375 35.668 30.675  1.00 15.43  ?  24   PHE A CB   1 
ATOM   6    C  CG   . PHE A 1 24  ? -40.024 37.029 30.138  1.00 13.85  ?  24   PHE A CG   1 
ATOM   7    C  CD1  . PHE A 1 24  ? -38.901 37.734 30.549  1.00 13.44  ?  24   PHE A CD1  1 
ATOM   8    C  CD2  . PHE A 1 24  ? -40.798 37.580 29.127  1.00 12.31  ?  24   PHE A CD2  1 
ATOM   9    C  CE1  . PHE A 1 24  ? -38.581 38.960 29.967  1.00 13.81  ?  24   PHE A CE1  1 
ATOM   10   C  CE2  . PHE A 1 24  ? -40.492 38.812 28.561  1.00 12.80  ?  24   PHE A CE2  1 
ATOM   11   C  CZ   . PHE A 1 24  ? -39.374 39.501 28.985  1.00 13.83  ?  24   PHE A CZ   1 
ATOM   12   H  H    . PHE A 1 24  ? -41.072 33.723 31.970  1.00 20.39  ?  24   PHE A H    1 
ATOM   13   H  HA   . PHE A 1 24  ? -40.936 36.295 32.574  1.00 16.52  ?  24   PHE A HA   1 
ATOM   14   H  HB2  . PHE A 1 24  ? -39.550 35.208 30.937  1.00 15.19  ?  24   PHE A HB2  1 
ATOM   15   H  HB3  . PHE A 1 24  ? -40.797 35.145 29.963  1.00 15.19  ?  24   PHE A HB3  1 
ATOM   16   H  HD1  . PHE A 1 24  ? -38.339 37.370 31.214  1.00 13.44  ?  24   PHE A HD1  1 
ATOM   17   H  HD2  . PHE A 1 24  ? -41.559 37.111 28.825  1.00 12.73  ?  24   PHE A HD2  1 
ATOM   18   H  HE1  . PHE A 1 24  ? -37.825 39.436 30.271  1.00 13.71  ?  24   PHE A HE1  1 
ATOM   19   H  HE2  . PHE A 1 24  ? -41.044 39.173 27.886  1.00 12.88  ?  24   PHE A HE2  1 
ATOM   20   H  HZ   . PHE A 1 24  ? -39.165 40.344 28.613  1.00 13.55  ?  24   PHE A HZ   1 
ATOM   21   N  N    . ASP A 1 25  ? -42.954 37.497 31.777  1.00 14.60  ?  25   ASP A N    1 
ATOM   22   C  CA   . ASP A 1 25  ? -44.258 38.092 31.500  1.00 14.70  ?  25   ASP A CA   1 
ATOM   23   C  C    . ASP A 1 25  ? -44.317 38.623 30.069  1.00 12.88  ?  25   ASP A C    1 
ATOM   24   O  O    . ASP A 1 25  ? -44.123 39.812 29.811  1.00 14.16  ?  25   ASP A O    1 
ATOM   25   C  CB   . ASP A 1 25  ? -44.542 39.182 32.525  1.00 15.27  ?  25   ASP A CB   1 
ATOM   26   C  CG   . ASP A 1 25  ? -45.879 39.858 32.257  1.00 16.65  ?  25   ASP A CG   1 
ATOM   27   O  OD1  . ASP A 1 25  ? -46.667 39.325 31.455  1.00 19.34  ?  25   ASP A OD1  1 
ATOM   28   O  OD2  . ASP A 1 25  ? -46.163 40.882 32.928  1.00 23.96  -1 25   ASP A OD2  1 
ATOM   29   H  H    . ASP A 1 25  ? -42.302 38.019 32.149  1.00 14.58  ?  25   ASP A H    1 
ATOM   30   H  HA   . ASP A 1 25  ? -44.945 37.392 31.603  1.00 14.39  ?  25   ASP A HA   1 
ATOM   31   H  HB2  . ASP A 1 25  ? -44.559 38.791 33.422  1.00 15.09  ?  25   ASP A HB2  1 
ATOM   32   H  HB3  . ASP A 1 25  ? -43.834 39.856 32.492  1.00 15.39  ?  25   ASP A HB3  1 
ATOM   33   N  N    . TYR A 1 26  ? -44.594 37.710 29.138  1.00 11.83  ?  26   TYR A N    1 
ATOM   34   C  CA   . TYR A 1 26  ? -44.647 38.058 27.737  1.00 11.76  ?  26   TYR A CA   1 
ATOM   35   C  C    . TYR A 1 26  ? -45.805 39.008 27.468  1.00 12.90  ?  26   TYR A C    1 
ATOM   36   O  O    . TYR A 1 26  ? -45.765 39.703 26.463  1.00 14.26  ?  26   TYR A O    1 
ATOM   37   C  CB   . TYR A 1 26  ? -44.741 36.814 26.829  1.00 11.28  ?  26   TYR A CB   1 
ATOM   38   C  CG   . TYR A 1 26  ? -43.498 35.968 26.883  1.00 9.97   ?  26   TYR A CG   1 
ATOM   39   C  CD1  . TYR A 1 26  ? -42.402 36.312 26.128  1.00 9.87   ?  26   TYR A CD1  1 
ATOM   40   C  CD2  . TYR A 1 26  ? -43.435 34.830 27.658  1.00 9.82   ?  26   TYR A CD2  1 
ATOM   41   C  CE1  . TYR A 1 26  ? -41.215 35.598 26.228  1.00 10.22  ?  26   TYR A CE1  1 
ATOM   42   C  CE2  . TYR A 1 26  ? -42.251 34.105 27.773  1.00 10.22  ?  26   TYR A CE2  1 
ATOM   43   C  CZ   . TYR A 1 26  ? -41.138 34.504 27.064  1.00 9.24   ?  26   TYR A CZ   1 
ATOM   44   O  OH   . TYR A 1 26  ? -39.952 33.809 27.173  1.00 10.74  ?  26   TYR A OH   1 
ATOM   45   H  H    . TYR A 1 26  ? -44.754 36.845 29.385  1.00 11.93  ?  26   TYR A H    1 
ATOM   46   H  HA   . TYR A 1 26  ? -43.809 38.533 27.513  1.00 11.95  ?  26   TYR A HA   1 
ATOM   47   H  HB2  . TYR A 1 26  ? -45.510 36.276 27.108  1.00 11.07  ?  26   TYR A HB2  1 
ATOM   48   H  HB3  . TYR A 1 26  ? -44.893 37.107 25.906  1.00 11.16  ?  26   TYR A HB3  1 
ATOM   49   H  HD1  . TYR A 1 26  ? -42.427 37.096 25.605  1.00 9.94   ?  26   TYR A HD1  1 
ATOM   50   H  HD2  . TYR A 1 26  ? -44.175 34.593 28.193  1.00 9.97   ?  26   TYR A HD2  1 
ATOM   51   H  HE1  . TYR A 1 26  ? -40.455 35.873 25.743  1.00 9.80   ?  26   TYR A HE1  1 
ATOM   52   H  HE2  . TYR A 1 26  ? -42.206 33.356 28.344  1.00 9.90   ?  26   TYR A HE2  1 
ATOM   53   H  HH   . TYR A 1 26  ? -39.266 34.056 26.713  0.00 11.11  ?  26   TYR A HH   1 
ATOM   54   N  N    . ASN A 1 27  ? -46.850 38.957 28.277  1.00 14.77  ?  27   ASN A N    1 
ATOM   55   C  CA   . ASN A 1 27  ? -47.990 39.834 28.063  1.00 16.84  ?  27   ASN A CA   1 
ATOM   56   C  C    . ASN A 1 27  ? -47.622 41.294 28.343  1.00 18.43  ?  27   ASN A C    1 
ATOM   57   O  O    . ASN A 1 27  ? -48.107 42.181 27.660  1.00 21.57  ?  27   ASN A O    1 
ATOM   58   C  CB   . ASN A 1 27  ? -49.128 39.446 29.010  1.00 20.62  ?  27   ASN A CB   1 
ATOM   59   C  CG   . ASN A 1 27  ? -50.458 39.853 28.450  1.00 24.74  ?  27   ASN A CG   1 
ATOM   60   O  OD1  . ASN A 1 27  ? -50.763 39.538 27.308  1.00 27.80  ?  27   ASN A OD1  1 
ATOM   61   N  ND2  . ASN A 1 27  ? -51.191 40.649 29.204  1.00 31.20  ?  27   ASN A ND2  1 
ATOM   62   H  H    . ASN A 1 27  ? -46.868 38.363 28.971  1.00 14.59  ?  27   ASN A H    1 
ATOM   63   H  HA   . ASN A 1 27  ? -48.301 39.743 27.132  1.00 16.80  ?  27   ASN A HA   1 
ATOM   64   H  HB2  . ASN A 1 27  ? -49.122 38.478 29.143  1.00 20.10  ?  27   ASN A HB2  1 
ATOM   65   H  HB3  . ASN A 1 27  ? -48.990 39.877 29.878  1.00 20.44  ?  27   ASN A HB3  1 
ATOM   66   H  HD21 . ASN A 1 27  ? -50.908 40.885 30.008  1.00 29.12  ?  27   ASN A HD21 1 
ATOM   67   H  HD22 . ASN A 1 27  ? -51.967 40.949 28.906  1.00 29.27  ?  27   ASN A HD22 1 
ATOM   68   N  N    . GLY A 1 28  ? -46.727 41.550 29.310  1.00 16.73  ?  28   GLY A N    1 
ATOM   69   C  CA   . GLY A 1 28  ? -46.518 42.886 29.836  1.00 18.09  ?  28   GLY A CA   1 
ATOM   70   C  C    . GLY A 1 28  ? -45.080 43.401 29.825  1.00 18.42  ?  28   GLY A C    1 
ATOM   71   O  O    . GLY A 1 28  ? -44.876 44.539 30.201  1.00 22.34  ?  28   GLY A O    1 
ATOM   72   H  H    . GLY A 1 28  ? -46.239 40.862 29.660  1.00 17.26  ?  28   GLY A H    1 
ATOM   73   H  HA2  . GLY A 1 28  ? -47.080 43.518 29.321  1.00 17.94  ?  28   GLY A HA2  1 
ATOM   74   H  HA3  . GLY A 1 28  ? -46.849 42.904 30.769  1.00 17.74  ?  28   GLY A HA3  1 
ATOM   75   N  N    . GLU A 1 29  ? -44.094 42.592 29.432  1.00 15.92  ?  29   GLU A N    1 
ATOM   76   C  CA   . GLU A 1 29  ? -42.686 42.985 29.416  1.00 16.65  ?  29   GLU A CA   1 
ATOM   77   C  C    . GLU A 1 29  ? -42.133 42.774 28.022  1.00 15.33  ?  29   GLU A C    1 
ATOM   78   O  O    . GLU A 1 29  ? -42.590 41.862 27.329  1.00 19.81  ?  29   GLU A O    1 
ATOM   79   C  CB   . GLU A 1 29  ? -41.840 42.185 30.405  1.00 18.37  ?  29   GLU A CB   1 
ATOM   80   C  CG   . GLU A 1 29  ? -42.289 42.384 31.840  1.00 23.22  ?  29   GLU A CG   1 
ATOM   81   C  CD   . GLU A 1 29  ? -42.117 43.792 32.409  1.00 30.52  ?  29   GLU A CD   1 
ATOM   82   O  OE1  . GLU A 1 29  ? -41.333 44.582 31.833  1.00 38.68  ?  29   GLU A OE1  1 
ATOM   83   O  OE2  . GLU A 1 29  ? -42.758 44.105 33.459  1.00 38.71  -1 29   GLU A OE2  1 
ATOM   84   H  H    . GLU A 1 29  ? -44.306 41.748 29.154  1.00 16.72  ?  29   GLU A H    1 
ATOM   85   H  HA   . GLU A 1 29  ? -42.621 43.941 29.638  1.00 16.47  ?  29   GLU A HA   1 
ATOM   86   H  HB2  . GLU A 1 29  ? -41.900 41.233 30.177  1.00 18.65  ?  29   GLU A HB2  1 
ATOM   87   H  HB3  . GLU A 1 29  ? -40.903 42.460 30.318  1.00 18.66  ?  29   GLU A HB3  1 
ATOM   88   H  HG2  . GLU A 1 29  ? -43.238 42.144 31.906  1.00 22.82  ?  29   GLU A HG2  1 
ATOM   89   H  HG3  . GLU A 1 29  ? -41.795 41.761 32.413  1.00 23.00  ?  29   GLU A HG3  1 
ATOM   90   N  N    . LYS A 1 30  ? -41.118 43.560 27.621  1.00 12.20  ?  30   LYS A N    1 
ATOM   91   C  CA   . LYS A 1 30  ? -40.615 43.463 26.263  1.00 10.44  ?  30   LYS A CA   1 
ATOM   92   C  C    . LYS A 1 30  ? -39.452 42.467 26.159  1.00 8.85   ?  30   LYS A C    1 
ATOM   93   O  O    . LYS A 1 30  ? -38.463 42.566 26.879  1.00 9.85   ?  30   LYS A O    1 
ATOM   94   C  CB   . LYS A 1 30  ? -40.136 44.819 25.748  1.00 10.45  ?  30   LYS A CB   1 
ATOM   95   C  CG   . LYS A 1 30  ? -41.147 45.952 25.880  1.00 12.07  ?  30   LYS A CG   1 
ATOM   96   C  CD   . LYS A 1 30  ? -42.484 45.660 25.276  1.00 12.41  ?  30   LYS A CD   1 
ATOM   97   C  CE   . LYS A 1 30  ? -43.376 46.866 25.405  1.00 12.80  ?  30   LYS A CE   1 
ATOM   98   N  NZ   . LYS A 1 30  ? -44.726 46.627 24.867  1.00 14.33  1  30   LYS A NZ   1 
ATOM   99   H  H    . LYS A 1 30  ? -40.739 44.157 28.200  1.00 12.33  ?  30   LYS A H    1 
ATOM   100  H  HA   . LYS A 1 30  ? -41.347 43.151 25.683  1.00 10.28  ?  30   LYS A HA   1 
ATOM   101  H  HB2  . LYS A 1 30  ? -39.324 45.068 26.238  1.00 10.69  ?  30   LYS A HB2  1 
ATOM   102  H  HB3  . LYS A 1 30  ? -39.896 44.724 24.802  1.00 10.60  ?  30   LYS A HB3  1 
ATOM   103  H  HG2  . LYS A 1 30  ? -41.269 46.154 26.832  1.00 11.79  ?  30   LYS A HG2  1 
ATOM   104  H  HG3  . LYS A 1 30  ? -40.777 46.753 25.451  1.00 11.80  ?  30   LYS A HG3  1 
ATOM   105  H  HD2  . LYS A 1 30  ? -42.376 45.432 24.328  1.00 12.52  ?  30   LYS A HD2  1 
ATOM   106  H  HD3  . LYS A 1 30  ? -42.896 44.899 25.737  1.00 12.35  ?  30   LYS A HD3  1 
ATOM   107  H  HE2  . LYS A 1 30  ? -43.452 47.113 26.344  1.00 12.85  ?  30   LYS A HE2  1 
ATOM   108  H  HE3  . LYS A 1 30  ? -42.975 47.618 24.931  1.00 13.03  ?  30   LYS A HE3  1 
ATOM   109  H  HZ1  . LYS A 1 30  ? -45.115 45.937 25.308  1.00 13.92  ?  30   LYS A HZ1  1 
ATOM   110  H  HZ2  . LYS A 1 30  ? -44.673 46.423 23.985  1.00 14.11  ?  30   LYS A HZ2  1 
ATOM   111  H  HZ3  . LYS A 1 30  ? -45.234 47.371 24.970  1.00 14.01  ?  30   LYS A HZ3  1 
ATOM   112  N  N    . VAL A 1 31  ? -39.588 41.523 25.236  1.00 7.83   ?  31   VAL A N    1 
ATOM   113  C  CA   . VAL A 1 31  ? -38.508 40.633 24.843  1.00 7.18   ?  31   VAL A CA   1 
ATOM   114  C  C    . VAL A 1 31  ? -37.477 41.444 24.055  1.00 6.77   ?  31   VAL A C    1 
ATOM   115  O  O    . VAL A 1 31  ? -37.833 42.189 23.131  1.00 7.15   ?  31   VAL A O    1 
ATOM   116  C  CB   . VAL A 1 31  ? -39.073 39.462 24.041  1.00 7.46   ?  31   VAL A CB   1 
ATOM   117  C  CG1  . VAL A 1 31  ? -37.963 38.599 23.484  1.00 8.03   ?  31   VAL A CG1  1 
ATOM   118  C  CG2  . VAL A 1 31  ? -40.036 38.653 24.873  1.00 8.26   ?  31   VAL A CG2  1 
ATOM   119  H  H    . VAL A 1 31  ? -40.397 41.431 24.820  1.00 7.85   ?  31   VAL A H    1 
ATOM   120  H  HA   . VAL A 1 31  ? -38.085 40.285 25.648  1.00 7.17   ?  31   VAL A HA   1 
ATOM   121  H  HB   . VAL A 1 31  ? -39.575 39.840 23.277  1.00 7.56   ?  31   VAL A HB   1 
ATOM   122  H  HG11 . VAL A 1 31  ? -37.332 38.384 24.193  1.00 7.92   ?  31   VAL A HG11 1 
ATOM   123  H  HG12 . VAL A 1 31  ? -37.502 39.077 22.773  1.00 7.97   ?  31   VAL A HG12 1 
ATOM   124  H  HG13 . VAL A 1 31  ? -38.341 37.776 23.127  1.00 7.88   ?  31   VAL A HG13 1 
ATOM   125  H  HG21 . VAL A 1 31  ? -40.331 37.878 24.365  1.00 7.97   ?  31   VAL A HG21 1 
ATOM   126  H  HG22 . VAL A 1 31  ? -40.805 39.199 25.104  1.00 8.06   ?  31   VAL A HG22 1 
ATOM   127  H  HG23 . VAL A 1 31  ? -39.592 38.357 25.687  1.00 8.01   ?  31   VAL A HG23 1 
ATOM   128  N  N    . ARG A 1 32  ? -36.214 41.323 24.448  1.00 7.01   ?  32   ARG A N    1 
ATOM   129  C  CA   . ARG A 1 32  ? -35.108 41.910 23.737  1.00 6.80   ?  32   ARG A CA   1 
ATOM   130  C  C    . ARG A 1 32  ? -34.077 40.820 23.594  1.00 6.62   ?  32   ARG A C    1 
ATOM   131  O  O    . ARG A 1 32  ? -33.433 40.409 24.553  1.00 7.28   ?  32   ARG A O    1 
ATOM   132  C  CB   . ARG A 1 32  ? -34.537 43.104 24.475  1.00 7.11   ?  32   ARG A CB   1 
ATOM   133  C  CG   . ARG A 1 32  ? -35.563 44.207 24.656  1.00 8.19   ?  32   ARG A CG   1 
ATOM   134  C  CD   . ARG A 1 32  ? -34.968 45.463 25.245  1.00 9.30   ?  32   ARG A CD   1 
ATOM   135  N  NE   . ARG A 1 32  ? -35.937 46.524 25.287  1.00 11.07  ?  32   ARG A NE   1 
ATOM   136  C  CZ   . ARG A 1 32  ? -36.476 46.968 26.393  1.00 14.29  ?  32   ARG A CZ   1 
ATOM   137  N  NH1  . ARG A 1 32  ? -36.123 46.400 27.525  1.00 19.29  1  32   ARG A NH1  1 
ATOM   138  N  NH2  . ARG A 1 32  ? -37.409 47.906 26.340  1.00 17.21  ?  32   ARG A NH2  1 
ATOM   139  H  H    . ARG A 1 32  ? -36.035 40.843 25.205  1.00 6.92   ?  32   ARG A H    1 
ATOM   140  H  HA   . ARG A 1 32  ? -35.410 42.192 22.843  1.00 6.82   ?  32   ARG A HA   1 
ATOM   141  H  HB2  . ARG A 1 32  ? -34.219 42.813 25.355  1.00 7.09   ?  32   ARG A HB2  1 
ATOM   142  H  HB3  . ARG A 1 32  ? -33.772 43.454 23.972  1.00 7.13   ?  32   ARG A HB3  1 
ATOM   143  H  HG2  . ARG A 1 32  ? -35.963 44.422 23.786  1.00 8.22   ?  32   ARG A HG2  1 
ATOM   144  H  HG3  . ARG A 1 32  ? -36.279 43.889 25.246  1.00 8.10   ?  32   ARG A HG3  1 
ATOM   145  H  HD2  . ARG A 1 32  ? -34.638 45.275 26.148  1.00 9.34   ?  32   ARG A HD2  1 
ATOM   146  H  HD3  . ARG A 1 32  ? -34.204 45.745 24.697  1.00 9.35   ?  32   ARG A HD3  1 
ATOM   147  H  HE   . ARG A 1 32  ? -36.172 46.896 24.537  1.00 11.23  ?  32   ARG A HE   1 
ATOM   148  H  HH11 . ARG A 1 32  ? -36.295 45.529 27.654  1.00 17.32  ?  32   ARG A HH11 1 
ATOM   149  H  HH12 . ARG A 1 32  ? -35.721 46.895 28.158  1.00 17.46  ?  32   ARG A HH12 1 
ATOM   150  H  HH21 . ARG A 1 32  ? -37.889 48.085 27.057  1.00 16.41  ?  32   ARG A HH21 1 
ATOM   151  H  HH22 . ARG A 1 32  ? -37.543 48.352 25.595  1.00 16.45  ?  32   ARG A HH22 1 
ATOM   152  N  N    . GLY A 1 33  ? -33.921 40.253 22.419  1.00 6.82   ?  33   GLY A N    1 
ATOM   153  C  CA   . GLY A 1 33  ? -33.192 39.011 22.277  1.00 7.06   ?  33   GLY A CA   1 
ATOM   154  C  C    . GLY A 1 33  ? -32.306 38.973 21.044  1.00 6.88   ?  33   GLY A C    1 
ATOM   155  O  O    . GLY A 1 33  ? -32.397 39.832 20.146  1.00 6.98   ?  33   GLY A O    1 
ATOM   156  H  H    . GLY A 1 33  ? -34.276 40.646 21.674  1.00 6.83   ?  33   GLY A H    1 
ATOM   157  H  HA2  . GLY A 1 33  ? -32.631 38.878 23.077  1.00 6.97   ?  33   GLY A HA2  1 
ATOM   158  H  HA3  . GLY A 1 33  ? -33.841 38.264 22.233  1.00 7.00   ?  33   GLY A HA3  1 
ATOM   159  N  N    . VAL A 1 34  ? -31.486 37.934 21.037  1.00 6.75   ?  34   VAL A N    1 
ATOM   160  C  CA   . VAL A 1 34  ? -30.765 37.549 19.837  1.00 6.49   ?  34   VAL A CA   1 
ATOM   161  C  C    . VAL A 1 34  ? -30.904 36.058 19.653  1.00 6.47   ?  34   VAL A C    1 
ATOM   162  O  O    . VAL A 1 34  ? -31.019 35.297 20.616  1.00 6.77   ?  34   VAL A O    1 
ATOM   163  C  CB   . VAL A 1 34  ? -29.299 38.012 19.877  1.00 6.75   ?  34   VAL A CB   1 
ATOM   164  C  CG1  . VAL A 1 34  ? -28.475 37.268 20.899  1.00 6.87   ?  34   VAL A CG1  1 
ATOM   165  C  CG2  . VAL A 1 34  ? -28.634 37.970 18.505  1.00 6.56   ?  34   VAL A CG2  1 
ATOM   166  H  H    . VAL A 1 34  ? -31.367 37.446 21.801  1.00 6.72   ?  34   VAL A H    1 
ATOM   167  H  HA   . VAL A 1 34  ? -31.193 37.983 19.078  1.00 6.54   ?  34   VAL A HA   1 
ATOM   168  H  HB   . VAL A 1 34  ? -29.314 38.960 20.159  1.00 6.69   ?  34   VAL A HB   1 
ATOM   169  H  HG11 . VAL A 1 34  ? -28.343 36.349 20.606  1.00 6.85   ?  34   VAL A HG11 1 
ATOM   170  H  HG12 . VAL A 1 34  ? -28.938 37.271 21.755  1.00 6.84   ?  34   VAL A HG12 1 
ATOM   171  H  HG13 . VAL A 1 34  ? -27.610 37.703 20.997  1.00 6.86   ?  34   VAL A HG13 1 
ATOM   172  H  HG21 . VAL A 1 34  ? -27.762 38.398 18.553  1.00 6.59   ?  34   VAL A HG21 1 
ATOM   173  H  HG22 . VAL A 1 34  ? -29.190 38.440 17.859  1.00 6.62   ?  34   VAL A HG22 1 
ATOM   174  H  HG23 . VAL A 1 34  ? -28.525 37.045 18.224  1.00 6.60   ?  34   VAL A HG23 1 
ATOM   175  N  N    . ASN A 1 35  ? -30.762 35.612 18.403  1.00 6.25   ?  35   ASN A N    1 
ATOM   176  C  CA   . ASN A 1 35  ? -30.701 34.211 18.028  1.00 6.54   ?  35   ASN A CA   1 
ATOM   177  C  C    . ASN A 1 35  ? -29.248 33.739 18.010  1.00 6.19   ?  35   ASN A C    1 
ATOM   178  O  O    . ASN A 1 35  ? -28.373 34.464 17.576  1.00 6.16   ?  35   ASN A O    1 
ATOM   179  C  CB   . ASN A 1 35  ? -31.261 34.033 16.607  1.00 6.71   ?  35   ASN A CB   1 
ATOM   180  C  CG   . ASN A 1 35  ? -32.760 34.087 16.606  1.00 6.95   ?  35   ASN A CG   1 
ATOM   181  O  OD1  . ASN A 1 35  ? -33.411 33.072 16.821  1.00 7.11   ?  35   ASN A OD1  1 
ATOM   182  N  ND2  . ASN A 1 35  ? -33.308 35.260 16.344  1.00 6.48   ?  35   ASN A ND2  1 
ATOM   183  H  H    . ASN A 1 35  ? -30.703 36.233 17.734  1.00 6.37   ?  35   ASN A H    1 
ATOM   184  H  HA   . ASN A 1 35  ? -31.230 33.671 18.657  1.00 6.43   ?  35   ASN A HA   1 
ATOM   185  H  HB2  . ASN A 1 35  ? -30.908 34.740 16.029  1.00 6.71   ?  35   ASN A HB2  1 
ATOM   186  H  HB3  . ASN A 1 35  ? -30.968 33.169 16.250  1.00 6.68   ?  35   ASN A HB3  1 
ATOM   187  H  HD21 . ASN A 1 35  ? -32.857 36.004 16.505  1.00 6.61   ?  35   ASN A HD21 1 
ATOM   188  H  HD22 . ASN A 1 35  ? -34.129 35.300 16.007  1.00 6.55   ?  35   ASN A HD22 1 
ATOM   189  N  N    . LEU A 1 36  ? -29.023 32.482 18.398  1.00 6.05   ?  36   LEU A N    1 
ATOM   190  C  CA   . LEU A 1 36  ? -27.785 31.781 18.111  1.00 6.17   ?  36   LEU A CA   1 
ATOM   191  C  C    . LEU A 1 36  ? -27.934 30.923 16.861  1.00 5.95   ?  36   LEU A C    1 
ATOM   192  O  O    . LEU A 1 36  ? -27.827 29.694 16.867  1.00 6.34   ?  36   LEU A O    1 
ATOM   193  C  CB   . LEU A 1 36  ? -27.311 30.972 19.318  1.00 6.82   ?  36   LEU A CB   1 
ATOM   194  C  CG   . LEU A 1 36  ? -26.633 31.837 20.379  1.00 7.77   ?  36   LEU A CG   1 
ATOM   195  C  CD1  . LEU A 1 36  ? -26.398 31.030 21.662  1.00 8.05   ?  36   LEU A CD1  1 
ATOM   196  C  CD2  . LEU A 1 36  ? -25.314 32.449 19.911  1.00 8.16   ?  36   LEU A CD2  1 
ATOM   197  H  H    . LEU A 1 36  ? -29.673 32.041 18.865  1.00 6.13   ?  36   LEU A H    1 
ATOM   198  H  HA   . LEU A 1 36  ? -27.104 32.461 17.914  1.00 6.21   ?  36   LEU A HA   1 
ATOM   199  H  HB2  . LEU A 1 36  ? -28.080 30.520 19.718  1.00 6.83   ?  36   LEU A HB2  1 
ATOM   200  H  HB3  . LEU A 1 36  ? -26.680 30.289 19.016  1.00 6.84   ?  36   LEU A HB3  1 
ATOM   201  H  HG   . LEU A 1 36  ? -27.248 32.579 20.599  1.00 7.67   ?  36   LEU A HG   1 
ATOM   202  H  HD11 . LEU A 1 36  ? -26.162 31.635 22.387  1.00 7.98   ?  36   LEU A HD11 1 
ATOM   203  H  HD12 . LEU A 1 36  ? -25.672 30.398 21.520  1.00 7.98   ?  36   LEU A HD12 1 
ATOM   204  H  HD13 . LEU A 1 36  ? -27.208 30.546 21.896  1.00 7.99   ?  36   LEU A HD13 1 
ATOM   205  H  HD21 . LEU A 1 36  ? -25.489 33.112 19.221  1.00 8.00   ?  36   LEU A HD21 1 
ATOM   206  H  HD22 . LEU A 1 36  ? -24.741 31.750 19.551  1.00 8.08   ?  36   LEU A HD22 1 
ATOM   207  H  HD23 . LEU A 1 36  ? -24.870 32.876 20.664  1.00 8.05   ?  36   LEU A HD23 1 
ATOM   208  N  N    . GLY A 1 37  ? -28.241 31.594 15.747  1.00 6.03   ?  37   GLY A N    1 
ATOM   209  C  CA   . GLY A 1 37  ? -28.342 30.911 14.490  1.00 5.79   ?  37   GLY A CA   1 
ATOM   210  C  C    . GLY A 1 37  ? -27.003 30.299 14.117  1.00 6.03   ?  37   GLY A C    1 
ATOM   211  O  O    . GLY A 1 37  ? -25.939 30.805 14.385  1.00 7.02   ?  37   GLY A O    1 
ATOM   212  H  H    . GLY A 1 37  ? -28.381 32.497 15.777  1.00 5.95   ?  37   GLY A H    1 
ATOM   213  H  HA2  . GLY A 1 37  ? -29.030 30.202 14.558  1.00 5.88   ?  37   GLY A HA2  1 
ATOM   214  H  HA3  . GLY A 1 37  ? -28.619 31.554 13.792  1.00 5.91   ?  37   GLY A HA3  1 
ATOM   215  N  N    . GLY A 1 38  ? -27.108 29.192 13.402  1.00 5.91   ?  38   GLY A N    1 
ATOM   216  C  CA   . GLY A 1 38  ? -25.926 28.569 12.836  1.00 6.14   ?  38   GLY A CA   1 
ATOM   217  C  C    . GLY A 1 38  ? -25.056 27.819 13.824  1.00 6.40   ?  38   GLY A C    1 
ATOM   218  O  O    . GLY A 1 38  ? -24.004 27.286 13.444  1.00 7.13   ?  38   GLY A O    1 
ATOM   219  H  H    . GLY A 1 38  ? -27.926 28.812 13.257  1.00 5.98   ?  38   GLY A H    1 
ATOM   220  H  HA2  . GLY A 1 38  ? -26.213 27.944 12.126  1.00 6.14   ?  38   GLY A HA2  1 
ATOM   221  H  HA3  . GLY A 1 38  ? -25.380 29.270 12.401  1.00 6.19   ?  38   GLY A HA3  1 
ATOM   222  N  N    . TRP A 1 39  ? -25.462 27.764 15.099  1.00 6.24   ?  39   TRP A N    1 
ATOM   223  C  CA   . TRP A 1 39  ? -24.630 27.135 16.126  1.00 6.58   ?  39   TRP A CA   1 
ATOM   224  C  C    . TRP A 1 39  ? -24.897 25.645 16.180  1.00 6.40   ?  39   TRP A C    1 
ATOM   225  O  O    . TRP A 1 39  ? -24.097 24.836 15.720  1.00 7.10   ?  39   TRP A O    1 
ATOM   226  C  CB   . TRP A 1 39  ? -24.866 27.803 17.490  1.00 6.54   ?  39   TRP A CB   1 
ATOM   227  C  CG   . TRP A 1 39  ? -24.025 27.229 18.579  1.00 6.68   ?  39   TRP A CG   1 
ATOM   228  C  CD1  . TRP A 1 39  ? -22.769 26.740 18.489  1.00 6.81   ?  39   TRP A CD1  1 
ATOM   229  C  CD2  . TRP A 1 39  ? -24.389 27.141 19.972  1.00 6.39   ?  39   TRP A CD2  1 
ATOM   230  N  NE1  . TRP A 1 39  ? -22.298 26.357 19.716  1.00 6.62   ?  39   TRP A NE1  1 
ATOM   231  C  CE2  . TRP A 1 39  ? -23.301 26.550 20.605  1.00 6.38   ?  39   TRP A CE2  1 
ATOM   232  C  CE3  . TRP A 1 39  ? -25.569 27.403 20.669  1.00 6.96   ?  39   TRP A CE3  1 
ATOM   233  C  CZ2  . TRP A 1 39  ? -23.302 26.349 21.975  1.00 6.61   ?  39   TRP A CZ2  1 
ATOM   234  C  CZ3  . TRP A 1 39  ? -25.583 27.176 22.035  1.00 7.21   ?  39   TRP A CZ3  1 
ATOM   235  C  CH2  . TRP A 1 39  ? -24.469 26.616 22.636  1.00 7.12   ?  39   TRP A CH2  1 
ATOM   236  H  H    . TRP A 1 39  ? -26.275 28.106 15.338  1.00 6.31   ?  39   TRP A H    1 
ATOM   237  H  HA   . TRP A 1 39  ? -23.686 27.278 15.881  1.00 6.48   ?  39   TRP A HA   1 
ATOM   238  H  HB2  . TRP A 1 39  ? -24.670 28.759 17.403  1.00 6.56   ?  39   TRP A HB2  1 
ATOM   239  H  HB3  . TRP A 1 39  ? -25.808 27.711 17.726  1.00 6.59   ?  39   TRP A HB3  1 
ATOM   240  H  HD1  . TRP A 1 39  ? -22.254 26.724 17.697  1.00 6.75   ?  39   TRP A HD1  1 
ATOM   241  H  HE1  . TRP A 1 39  ? -21.510 26.016 19.886  1.00 6.56   ?  39   TRP A HE1  1 
ATOM   242  H  HE3  . TRP A 1 39  ? -26.307 27.802 20.237  1.00 6.86   ?  39   TRP A HE3  1 
ATOM   243  H  HZ2  . TRP A 1 39  ? -22.573 25.941 22.409  1.00 6.60   ?  39   TRP A HZ2  1 
ATOM   244  H  HZ3  . TRP A 1 39  ? -26.352 27.374 22.546  1.00 7.10   ?  39   TRP A HZ3  1 
ATOM   245  H  HH2  . TRP A 1 39  ? -24.496 26.461 23.562  1.00 7.00   ?  39   TRP A HH2  1 
ATOM   246  N  N    . LEU A 1 40  ? -26.088 25.257 16.696  1.00 6.64   ?  40   LEU A N    1 
ATOM   247  C  CA   . LEU A 1 40  ? -26.431 23.860 16.829  1.00 6.82   ?  40   LEU A CA   1 
ATOM   248  C  C    . LEU A 1 40  ? -27.193 23.299 15.640  1.00 6.47   ?  40   LEU A C    1 
ATOM   249  O  O    . LEU A 1 40  ? -27.352 22.082 15.533  1.00 6.87   ?  40   LEU A O    1 
ATOM   250  C  CB   . LEU A 1 40  ? -27.198 23.628 18.144  1.00 7.13   ?  40   LEU A CB   1 
ATOM   251  C  CG   . LEU A 1 40  ? -26.499 24.170 19.395  1.00 7.82   ?  40   LEU A CG   1 
ATOM   252  C  CD1  . LEU A 1 40  ? -27.301 23.863 20.656  1.00 7.80   ?  40   LEU A CD1  1 
ATOM   253  C  CD2  . LEU A 1 40  ? -25.075 23.629 19.558  1.00 8.05   ?  40   LEU A CD2  1 
ATOM   254  H  H    . LEU A 1 40  ? -26.695 25.887 16.959  1.00 6.61   ?  40   LEU A H    1 
ATOM   255  H  HA   . LEU A 1 40  ? -25.584 23.360 16.885  1.00 6.79   ?  40   LEU A HA   1 
ATOM   256  H  HB2  . LEU A 1 40  ? -28.077 24.051 18.069  1.00 7.18   ?  40   LEU A HB2  1 
ATOM   257  H  HB3  . LEU A 1 40  ? -27.340 22.667 18.256  1.00 7.15   ?  40   LEU A HB3  1 
ATOM   258  H  HG   . LEU A 1 40  ? -26.440 25.152 19.307  1.00 7.74   ?  40   LEU A HG   1 
ATOM   259  H  HD11 . LEU A 1 40  ? -26.973 24.410 21.391  1.00 7.87   ?  40   LEU A HD11 1 
ATOM   260  H  HD12 . LEU A 1 40  ? -27.203 22.923 20.884  1.00 7.79   ?  40   LEU A HD12 1 
ATOM   261  H  HD13 . LEU A 1 40  ? -28.241 24.062 20.499  1.00 7.83   ?  40   LEU A HD13 1 
ATOM   262  H  HD21 . LEU A 1 40  ? -24.506 23.992 18.858  1.00 7.92   ?  40   LEU A HD21 1 
ATOM   263  H  HD22 . LEU A 1 40  ? -25.087 22.657 19.495  1.00 7.97   ?  40   LEU A HD22 1 
ATOM   264  H  HD23 . LEU A 1 40  ? -24.726 23.892 20.427  1.00 7.97   ?  40   LEU A HD23 1 
ATOM   265  N  N    . VAL A 1 41  ? -27.669 24.191 14.761  1.00 6.44   ?  41   VAL A N    1 
ATOM   266  C  CA   . VAL A 1 41  ? -28.175 23.829 13.442  1.00 6.51   ?  41   VAL A CA   1 
ATOM   267  C  C    . VAL A 1 41  ? -27.357 24.691 12.501  1.00 6.54   ?  41   VAL A C    1 
ATOM   268  O  O    . VAL A 1 41  ? -27.468 25.913 12.536  1.00 6.62   ?  41   VAL A O    1 
ATOM   269  C  CB   . VAL A 1 41  ? -29.676 24.079 13.274  1.00 6.64   ?  41   VAL A CB   1 
ATOM   270  C  CG1  . VAL A 1 41  ? -30.106 23.814 11.867  1.00 7.09   ?  41   VAL A CG1  1 
ATOM   271  C  CG2  . VAL A 1 41  ? -30.485 23.271 14.274  1.00 6.78   ?  41   VAL A CG2  1 
ATOM   272  H  H    . VAL A 1 41  ? -27.692 25.072 15.002  1.00 6.45   ?  41   VAL A H    1 
ATOM   273  H  HA   . VAL A 1 41  ? -27.984 22.891 13.270  1.00 6.52   ?  41   VAL A HA   1 
ATOM   274  H  HB   . VAL A 1 41  ? -29.837 25.036 13.461  1.00 6.63   ?  41   VAL A HB   1 
ATOM   275  H  HG11 . VAL A 1 41  ? -29.756 22.953 11.577  1.00 7.01   ?  41   VAL A HG11 1 
ATOM   276  H  HG12 . VAL A 1 41  ? -29.768 24.515 11.284  1.00 6.95   ?  41   VAL A HG12 1 
ATOM   277  H  HG13 . VAL A 1 41  ? -31.079 23.798 11.823  1.00 6.96   ?  41   VAL A HG13 1 
ATOM   278  H  HG21 . VAL A 1 41  ? -31.434 23.426 14.126  1.00 6.72   ?  41   VAL A HG21 1 
ATOM   279  H  HG22 . VAL A 1 41  ? -30.250 23.543 15.178  1.00 6.87   ?  41   VAL A HG22 1 
ATOM   280  H  HG23 . VAL A 1 41  ? -30.291 22.324 14.160  1.00 6.75   ?  41   VAL A HG23 1 
ATOM   281  N  N    . LEU A 1 42  ? -26.492 24.047 11.700  1.00 6.52   ?  42   LEU A N    1 
ATOM   282  C  CA   . LEU A 1 42  ? -25.573 24.813 10.864  1.00 6.80   ?  42   LEU A CA   1 
ATOM   283  C  C    . LEU A 1 42  ? -26.309 25.297 9.606   1.00 7.13   ?  42   LEU A C    1 
ATOM   284  O  O    . LEU A 1 42  ? -27.198 24.605 9.111   1.00 7.17   ?  42   LEU A O    1 
ATOM   285  C  CB   . LEU A 1 42  ? -24.359 23.972 10.457  1.00 7.21   ?  42   LEU A CB   1 
ATOM   286  C  CG   . LEU A 1 42  ? -23.305 23.769 11.552  1.00 7.74   ?  42   LEU A CG   1 
ATOM   287  C  CD1  . LEU A 1 42  ? -23.768 22.796 12.610  1.00 8.08   ?  42   LEU A CD1  1 
ATOM   288  C  CD2  . LEU A 1 42  ? -22.010 23.308 10.941  1.00 8.35   ?  42   LEU A CD2  1 
ATOM   289  H  H    . LEU A 1 42  ? -26.478 23.133 11.667  1.00 6.56   ?  42   LEU A H    1 
ATOM   290  H  HA   . LEU A 1 42  ? -25.269 25.597 11.375  1.00 6.89   ?  42   LEU A HA   1 
ATOM   291  H  HB2  . LEU A 1 42  ? -24.675 23.095 10.164  1.00 7.18   ?  42   LEU A HB2  1 
ATOM   292  H  HB3  . LEU A 1 42  ? -23.930 24.402 9.691   1.00 7.19   ?  42   LEU A HB3  1 
ATOM   293  H  HG   . LEU A 1 42  ? -23.144 24.642 11.988  1.00 7.74   ?  42   LEU A HG   1 
ATOM   294  H  HD11 . LEU A 1 42  ? -23.078 22.705 13.291  1.00 7.95   ?  42   LEU A HD11 1 
ATOM   295  H  HD12 . LEU A 1 42  ? -23.936 21.928 12.202  1.00 8.00   ?  42   LEU A HD12 1 
ATOM   296  H  HD13 . LEU A 1 42  ? -24.586 23.125 13.021  1.00 7.98   ?  42   LEU A HD13 1 
ATOM   297  H  HD21 . LEU A 1 42  ? -21.681 23.986 10.326  1.00 8.13   ?  42   LEU A HD21 1 
ATOM   298  H  HD22 . LEU A 1 42  ? -22.157 22.476 10.457  1.00 8.22   ?  42   LEU A HD22 1 
ATOM   299  H  HD23 . LEU A 1 42  ? -21.353 23.162 11.643  1.00 8.16   ?  42   LEU A HD23 1 
ATOM   300  N  N    . GLU A 1 43  ? -25.910 26.464 9.133   1.00 7.08   ?  43   GLU A N    1 
ATOM   301  C  CA   . GLU A 1 43  ? -26.489 27.020 7.906   1.00 7.13   ?  43   GLU A CA   1 
ATOM   302  C  C    . GLU A 1 43  ? -25.353 27.525 7.045   1.00 7.23   ?  43   GLU A C    1 
ATOM   303  O  O    . GLU A 1 43  ? -24.467 28.220 7.483   1.00 6.79   ?  43   GLU A O    1 
ATOM   304  C  CB   . GLU A 1 43  ? -27.391 28.202 8.230   1.00 7.31   ?  43   GLU A CB   1 
ATOM   305  C  CG   . GLU A 1 43  ? -28.523 27.835 9.149   1.00 7.41   ?  43   GLU A CG   1 
ATOM   306  C  CD   . GLU A 1 43  ? -29.552 28.921 9.345   1.00 7.47   ?  43   GLU A CD   1 
ATOM   307  O  OE1  . GLU A 1 43  ? -29.743 29.728 8.424   1.00 7.32   ?  43   GLU A OE1  1 
ATOM   308  O  OE2  . GLU A 1 43  ? -30.205 28.889 10.407  1.00 7.62   -1 43   GLU A OE2  1 
ATOM   309  H  H    . GLU A 1 43  ? -25.264 26.937 9.573   1.00 7.09   ?  43   GLU A H    1 
ATOM   310  H  HA   . GLU A 1 43  ? -26.997 26.328 7.431   1.00 7.17   ?  43   GLU A HA   1 
ATOM   311  H  HB2  . GLU A 1 43  ? -26.853 28.906 8.649   1.00 7.28   ?  43   GLU A HB2  1 
ATOM   312  H  HB3  . GLU A 1 43  ? -27.757 28.556 7.393   1.00 7.30   ?  43   GLU A HB3  1 
ATOM   313  H  HG2  . GLU A 1 43  ? -28.976 27.041 8.794   1.00 7.42   ?  43   GLU A HG2  1 
ATOM   314  H  HG3  . GLU A 1 43  ? -28.156 27.597 10.027  1.00 7.38   ?  43   GLU A HG3  1 
ATOM   315  N  N    . PRO A 1 44  ? -25.380 27.264 5.716   1.00 7.23   ?  44   PRO A N    1 
ATOM   316  C  CA   . PRO A 1 44  ? -24.291 27.698 4.845   1.00 7.06   ?  44   PRO A CA   1 
ATOM   317  C  C    . PRO A 1 44  ? -23.974 29.183 4.921   1.00 7.42   ?  44   PRO A C    1 
ATOM   318  O  O    . PRO A 1 44  ? -22.799 29.519 4.913   1.00 7.59   ?  44   PRO A O    1 
ATOM   319  C  CB   . PRO A 1 44  ? -24.717 27.207 3.443   1.00 7.31   ?  44   PRO A CB   1 
ATOM   320  C  CG   . PRO A 1 44  ? -25.514 25.954 3.750   1.00 7.68   ?  44   PRO A CG   1 
ATOM   321  C  CD   . PRO A 1 44  ? -26.268 26.316 5.028   1.00 7.14   ?  44   PRO A CD   1 
ATOM   322  H  HA   . PRO A 1 44  ? -23.479 27.197 5.106   1.00 7.17   ?  44   PRO A HA   1 
ATOM   323  H  HB2  . PRO A 1 44  ? -25.272 27.875 2.987   1.00 7.32   ?  44   PRO A HB2  1 
ATOM   324  H  HB3  . PRO A 1 44  ? -23.937 27.002 2.886   1.00 7.37   ?  44   PRO A HB3  1 
ATOM   325  H  HG2  . PRO A 1 44  ? -26.136 25.747 3.023   1.00 7.46   ?  44   PRO A HG2  1 
ATOM   326  H  HG3  . PRO A 1 44  ? -24.923 25.187 3.896   1.00 7.51   ?  44   PRO A HG3  1 
ATOM   327  H  HD2  . PRO A 1 44  ? -27.126 26.731 4.822   1.00 7.29   ?  44   PRO A HD2  1 
ATOM   328  H  HD3  . PRO A 1 44  ? -26.423 25.523 5.573   1.00 7.25   ?  44   PRO A HD3  1 
ATOM   329  N  N    . TRP A 1 45  ? -24.970 30.058 4.941   1.00 7.14   ?  45   TRP A N    1 
ATOM   330  C  CA   . TRP A 1 45  ? -24.658 31.476 4.914   1.00 6.86   ?  45   TRP A CA   1 
ATOM   331  C  C    . TRP A 1 45  ? -24.038 31.974 6.215   1.00 6.85   ?  45   TRP A C    1 
ATOM   332  O  O    . TRP A 1 45  ? -23.342 32.978 6.210   1.00 6.77   ?  45   TRP A O    1 
ATOM   333  C  CB   . TRP A 1 45  ? -25.860 32.301 4.461   1.00 6.63   ?  45   TRP A CB   1 
ATOM   334  C  CG   . TRP A 1 45  ? -26.908 32.512 5.514   1.00 6.50   ?  45   TRP A CG   1 
ATOM   335  C  CD1  . TRP A 1 45  ? -28.088 31.853 5.667   1.00 6.92   ?  45   TRP A CD1  1 
ATOM   336  C  CD2  . TRP A 1 45  ? -26.956 33.628 6.427   1.00 6.92   ?  45   TRP A CD2  1 
ATOM   337  N  NE1  . TRP A 1 45  ? -28.836 32.437 6.662   1.00 7.16   ?  45   TRP A NE1  1 
ATOM   338  C  CE2  . TRP A 1 45  ? -28.168 33.524 7.121   1.00 6.99   ?  45   TRP A CE2  1 
ATOM   339  C  CE3  . TRP A 1 45  ? -26.085 34.655 6.729   1.00 7.30   ?  45   TRP A CE3  1 
ATOM   340  C  CZ2  . TRP A 1 45  ? -28.553 34.449 8.080   1.00 7.58   ?  45   TRP A CZ2  1 
ATOM   341  C  CZ3  . TRP A 1 45  ? -26.427 35.556 7.714   1.00 7.12   ?  45   TRP A CZ3  1 
ATOM   342  C  CH2  . TRP A 1 45  ? -27.650 35.459 8.362   1.00 7.53   ?  45   TRP A CH2  1 
ATOM   343  H  H    . TRP A 1 45  ? -25.841 29.782 4.969   1.00 7.13   ?  45   TRP A H    1 
ATOM   344  H  HA   . TRP A 1 45  ? -23.974 31.592 4.213   1.00 6.86   ?  45   TRP A HA   1 
ATOM   345  H  HB2  . TRP A 1 45  ? -25.537 33.173 4.158   1.00 6.63   ?  45   TRP A HB2  1 
ATOM   346  H  HB3  . TRP A 1 45  ? -26.267 31.852 3.695   1.00 6.61   ?  45   TRP A HB3  1 
ATOM   347  H  HD1  . TRP A 1 45  ? -28.350 31.087 5.183   1.00 6.87   ?  45   TRP A HD1  1 
ATOM   348  H  HE1  . TRP A 1 45  ? -29.626 32.169 6.931   1.00 7.03   ?  45   TRP A HE1  1 
ATOM   349  H  HE3  . TRP A 1 45  ? -25.279 34.754 6.248   1.00 7.12   ?  45   TRP A HE3  1 
ATOM   350  H  HZ2  . TRP A 1 45  ? -29.347 34.344 8.569   1.00 7.34   ?  45   TRP A HZ2  1 
ATOM   351  H  HZ3  . TRP A 1 45  ? -25.852 36.280 7.908   1.00 7.16   ?  45   TRP A HZ3  1 
ATOM   352  H  HH2  . TRP A 1 45  ? -27.852 36.070 9.047   1.00 7.29   ?  45   TRP A HH2  1 
ATOM   353  N  N    . ILE A 1 46  ? -24.304 31.250 7.312   1.00 6.72   ?  46   ILE A N    1 
ATOM   354  C  CA   . ILE A 1 46  ? -23.814 31.689 8.623   1.00 6.62   ?  46   ILE A CA   1 
ATOM   355  C  C    . ILE A 1 46  ? -22.371 31.264 8.810   1.00 6.59   ?  46   ILE A C    1 
ATOM   356  O  O    . ILE A 1 46  ? -21.555 32.033 9.286   1.00 6.94   ?  46   ILE A O    1 
ATOM   357  C  CB   . ILE A 1 46  ? -24.746 31.218 9.716   1.00 6.42   ?  46   ILE A CB   1 
ATOM   358  C  CG1  . ILE A 1 46  ? -26.125 31.817 9.474   1.00 6.73   ?  46   ILE A CG1  1 
ATOM   359  C  CG2  . ILE A 1 46  ? -24.211 31.682 11.087  1.00 6.70   ?  46   ILE A CG2  1 
ATOM   360  C  CD1  . ILE A 1 46  ? -27.196 31.400 10.493  1.00 7.39   ?  46   ILE A CD1  1 
ATOM   361  H  H    . ILE A 1 46  ? -24.798 30.484 7.254   1.00 6.73   ?  46   ILE A H    1 
ATOM   362  H  HA   . ILE A 1 46  ? -23.833 32.663 8.631   1.00 6.61   ?  46   ILE A HA   1 
ATOM   363  H  HB   . ILE A 1 46  ? -24.807 30.231 9.697   1.00 6.52   ?  46   ILE A HB   1 
ATOM   364  H  HG12 . ILE A 1 46  ? -26.046 32.795 9.487   1.00 6.77   ?  46   ILE A HG12 1 
ATOM   365  H  HG13 . ILE A 1 46  ? -26.429 31.555 8.580   1.00 6.75   ?  46   ILE A HG13 1 
ATOM   366  H  HG21 . ILE A 1 46  ? -24.105 32.649 11.085  1.00 6.64   ?  46   ILE A HG21 1 
ATOM   367  H  HG22 . ILE A 1 46  ? -23.351 31.264 11.261  1.00 6.62   ?  46   ILE A HG22 1 
ATOM   368  H  HG23 . ILE A 1 46  ? -24.837 31.428 11.786  1.00 6.67   ?  46   ILE A HG23 1 
ATOM   369  H  HD11 . ILE A 1 46  ? -27.025 31.837 11.346  1.00 7.19   ?  46   ILE A HD11 1 
ATOM   370  H  HD12 . ILE A 1 46  ? -27.172 30.434 10.614  1.00 7.21   ?  46   ILE A HD12 1 
ATOM   371  H  HD13 . ILE A 1 46  ? -28.075 31.663 10.167  1.00 7.19   ?  46   ILE A HD13 1 
ATOM   372  N  N    . THR A 1 47  ? -22.053 30.028 8.409   1.00 6.78   ?  47   THR A N    1 
ATOM   373  C  CA   . THR A 1 47  ? -20.684 29.523 8.460   1.00 6.61   ?  47   THR A CA   1 
ATOM   374  C  C    . THR A 1 47  ? -20.287 28.904 7.115   1.00 6.71   ?  47   THR A C    1 
ATOM   375  O  O    . THR A 1 47  ? -20.126 27.688 6.998   1.00 7.15   ?  47   THR A O    1 
ATOM   376  C  CB   . THR A 1 47  ? -20.465 28.516 9.584   1.00 7.06   ?  47   THR A CB   1 
ATOM   377  O  OG1  . THR A 1 47  ? -21.301 27.379 9.424   1.00 7.24   ?  47   THR A OG1  1 
ATOM   378  C  CG2  . THR A 1 47  ? -20.688 29.120 10.957  1.00 7.54   ?  47   THR A CG2  1 
ATOM   379  H  H    . THR A 1 47  ? -22.711 29.475 8.100   1.00 6.75   ?  47   THR A H    1 
ATOM   380  H  HA   . THR A 1 47  ? -20.091 30.288 8.625   1.00 6.70   ?  47   THR A HA   1 
ATOM   381  H  HB   . THR A 1 47  ? -19.526 28.215 9.533   1.00 7.01   ?  47   THR A HB   1 
ATOM   382  H  HG1  . THR A 1 47  ? -22.114 27.618 9.422   0.00 7.53   ?  47   THR A HG1  1 
ATOM   383  H  HG21 . THR A 1 47  ? -20.525 28.445 11.640  1.00 7.36   ?  47   THR A HG21 1 
ATOM   384  H  HG22 . THR A 1 47  ? -21.606 29.437 11.028  1.00 7.42   ?  47   THR A HG22 1 
ATOM   385  H  HG23 . THR A 1 47  ? -20.076 29.866 11.088  1.00 7.41   ?  47   THR A HG23 1 
ATOM   386  N  N    . PRO A 1 48  ? -20.112 29.712 6.059   1.00 7.00   ?  48   PRO A N    1 
ATOM   387  C  CA   . PRO A 1 48  ? -19.802 29.159 4.736   1.00 7.49   ?  48   PRO A CA   1 
ATOM   388  C  C    . PRO A 1 48  ? -18.529 28.324 4.737   1.00 7.54   ?  48   PRO A C    1 
ATOM   389  O  O    . PRO A 1 48  ? -18.490 27.346 3.990   1.00 8.73   ?  48   PRO A O    1 
ATOM   390  C  CB   . PRO A 1 48  ? -19.663 30.378 3.858   1.00 8.52   ?  48   PRO A CB   1 
ATOM   391  C  CG   . PRO A 1 48  ? -19.861 31.567 4.662   1.00 9.21   ?  48   PRO A CG   1 
ATOM   392  C  CD   . PRO A 1 48  ? -20.331 31.154 6.026   1.00 7.27   ?  48   PRO A CD   1 
ATOM   393  H  HA   . PRO A 1 48  ? -20.564 28.612 4.421   1.00 7.47   ?  48   PRO A HA   1 
ATOM   394  H  HB2  . PRO A 1 48  ? -18.772 30.399 3.447   1.00 8.33   ?  48   PRO A HB2  1 
ATOM   395  H  HB3  . PRO A 1 48  ? -20.327 30.350 3.137   1.00 8.20   ?  48   PRO A HB3  1 
ATOM   396  H  HG2  . PRO A 1 48  ? -19.022 32.067 4.734   1.00 8.55   ?  48   PRO A HG2  1 
ATOM   397  H  HG3  . PRO A 1 48  ? -20.525 32.150 4.241   1.00 8.59   ?  48   PRO A HG3  1 
ATOM   398  H  HD2  . PRO A 1 48  ? -19.816 31.601 6.722   1.00 7.33   ?  48   PRO A HD2  1 
ATOM   399  H  HD3  . PRO A 1 48  ? -21.275 31.364 6.147   1.00 7.34   ?  48   PRO A HD3  1 
ATOM   400  N  N    . SER A 1 49  ? -17.520 28.669 5.546   1.00 7.75   ?  49   SER A N    1 
ATOM   401  C  CA   . SER A 1 49  ? -16.258 27.961 5.488   1.00 8.64   ?  49   SER A CA   1 
ATOM   402  C  C    . SER A 1 49  ? -16.446 26.470 5.779   1.00 7.78   ?  49   SER A C    1 
ATOM   403  O  O    . SER A 1 49  ? -15.740 25.614 5.258   1.00 8.82   ?  49   SER A O    1 
ATOM   404  C  CB   . SER A 1 49  ? -15.229 28.571 6.392   1.00 9.60   ?  49   SER A CB   1 
ATOM   405  O  OG   . SER A 1 49  ? -15.526 28.389 7.746   1.00 10.04  ?  49   SER A OG   1 
ATOM   406  H  H    . SER A 1 49  ? -17.618 29.361 6.134   1.00 7.77   ?  49   SER A H    1 
ATOM   407  H  HA   . SER A 1 49  ? -15.921 28.040 4.555   1.00 8.43   ?  49   SER A HA   1 
ATOM   408  H  HB2  . SER A 1 49  ? -14.353 28.168 6.197   1.00 9.48   ?  49   SER A HB2  1 
ATOM   409  H  HB3  . SER A 1 49  ? -15.167 29.534 6.202   1.00 9.46   ?  49   SER A HB3  1 
ATOM   410  H  HG   . SER A 1 49  ? -15.175 27.665 8.010   0.00 10.48  ?  49   SER A HG   1 
ATOM   411  N  N    . ILE A 1 50  ? -17.357 26.148 6.696   1.00 7.40   ?  50   ILE A N    1 
ATOM   412  C  CA   . ILE A 1 50  ? -17.497 24.759 7.108   1.00 7.44   ?  50   ILE A CA   1 
ATOM   413  C  C    . ILE A 1 50  ? -18.078 23.937 5.960   1.00 7.39   ?  50   ILE A C    1 
ATOM   414  O  O    . ILE A 1 50  ? -17.679 22.815 5.677   1.00 8.54   ?  50   ILE A O    1 
ATOM   415  C  CB   . ILE A 1 50  ? -18.372 24.672 8.368   1.00 8.42   ?  50   ILE A CB   1 
ATOM   416  C  CG1  . ILE A 1 50  ? -17.704 25.403 9.526   1.00 8.82   ?  50   ILE A CG1  1 
ATOM   417  C  CG2  . ILE A 1 50  ? -18.715 23.243 8.723   1.00 9.17   ?  50   ILE A CG2  1 
ATOM   418  C  CD1  . ILE A 1 50  ? -18.539 25.479 10.798  1.00 8.63   ?  50   ILE A CD1  1 
ATOM   419  H  H    . ILE A 1 50  ? -17.895 26.786 7.066   1.00 7.45   ?  50   ILE A H    1 
ATOM   420  H  HA   . ILE A 1 50  ? -16.613 24.409 7.325   1.00 7.54   ?  50   ILE A HA   1 
ATOM   421  H  HB   . ILE A 1 50  ? -19.219 25.143 8.172   1.00 8.38   ?  50   ILE A HB   1 
ATOM   422  H  HG12 . ILE A 1 50  ? -16.859 24.951 9.734   1.00 8.71   ?  50   ILE A HG12 1 
ATOM   423  H  HG13 . ILE A 1 50  ? -17.490 26.317 9.241   1.00 8.66   ?  50   ILE A HG13 1 
ATOM   424  H  HG21 . ILE A 1 50  ? -17.896 22.736 8.863   1.00 8.99   ?  50   ILE A HG21 1 
ATOM   425  H  HG22 . ILE A 1 50  ? -19.225 22.838 8.000   1.00 8.95   ?  50   ILE A HG22 1 
ATOM   426  H  HG23 . ILE A 1 50  ? -19.247 23.225 9.537   1.00 8.91   ?  50   ILE A HG23 1 
ATOM   427  H  HD11 . ILE A 1 50  ? -18.591 24.599 11.209  1.00 8.68   ?  50   ILE A HD11 1 
ATOM   428  H  HD12 . ILE A 1 50  ? -19.436 25.788 10.581  1.00 8.67   ?  50   ILE A HD12 1 
ATOM   429  H  HD13 . ILE A 1 50  ? -18.126 26.102 11.422  1.00 8.68   ?  50   ILE A HD13 1 
ATOM   430  N  N    . PHE A 1 51  ? -19.078 24.500 5.273   1.00 7.70   ?  51   PHE A N    1 
ATOM   431  C  CA   . PHE A 1 51  ? -19.694 23.826 4.129   1.00 8.13   ?  51   PHE A CA   1 
ATOM   432  C  C    . PHE A 1 51  ? -18.707 23.722 2.975   1.00 8.57   ?  51   PHE A C    1 
ATOM   433  O  O    . PHE A 1 51  ? -18.610 22.673 2.345   1.00 9.46   ?  51   PHE A O    1 
ATOM   434  C  CB   . PHE A 1 51  ? -21.001 24.526 3.774   1.00 7.78   ?  51   PHE A CB   1 
ATOM   435  C  CG   . PHE A 1 51  ? -22.072 24.322 4.798   1.00 7.93   ?  51   PHE A CG   1 
ATOM   436  C  CD1  . PHE A 1 51  ? -22.921 23.239 4.767   1.00 7.59   ?  51   PHE A CD1  1 
ATOM   437  C  CD2  . PHE A 1 51  ? -22.141 25.181 5.886   1.00 7.44   ?  51   PHE A CD2  1 
ATOM   438  C  CE1  . PHE A 1 51  ? -23.889 23.075 5.751   1.00 7.39   ?  51   PHE A CE1  1 
ATOM   439  C  CE2  . PHE A 1 51  ? -23.091 24.986 6.859   1.00 7.52   ?  51   PHE A CE2  1 
ATOM   440  C  CZ   . PHE A 1 51  ? -23.953 23.949 6.802   1.00 7.35   ?  51   PHE A CZ   1 
ATOM   441  H  H    . PHE A 1 51  ? -19.384 25.326 5.517   1.00 7.68   ?  51   PHE A H    1 
ATOM   442  H  HA   . PHE A 1 51  ? -19.918 22.902 4.410   1.00 8.05   ?  51   PHE A HA   1 
ATOM   443  H  HB2  . PHE A 1 51  ? -20.828 25.486 3.677   1.00 7.86   ?  51   PHE A HB2  1 
ATOM   444  H  HB3  . PHE A 1 51  ? -21.314 24.187 2.910   1.00 7.84   ?  51   PHE A HB3  1 
ATOM   445  H  HD1  . PHE A 1 51  ? -22.884 22.638 4.040   1.00 7.57   ?  51   PHE A HD1  1 
ATOM   446  H  HD2  . PHE A 1 51  ? -21.553 25.915 5.942   1.00 7.54   ?  51   PHE A HD2  1 
ATOM   447  H  HE1  . PHE A 1 51  ? -24.480 22.345 5.711   1.00 7.38   ?  51   PHE A HE1  1 
ATOM   448  H  HE2  . PHE A 1 51  ? -23.146 25.594 7.578   1.00 7.44   ?  51   PHE A HE2  1 
ATOM   449  H  HZ   . PHE A 1 51  ? -24.602 23.833 7.477   1.00 7.39   ?  51   PHE A HZ   1 
ATOM   450  N  N    . ASP A 1 52  ? -18.013 24.818 2.688   1.00 8.87   ?  52   ASP A N    1 
ATOM   451  C  CA   . ASP A 1 52  ? -17.109 24.828 1.566   1.00 9.07   ?  52   ASP A CA   1 
ATOM   452  C  C    . ASP A 1 52  ? -15.939 23.877 1.771   1.00 9.36   ?  52   ASP A C    1 
ATOM   453  O  O    . ASP A 1 52  ? -15.421 23.369 0.789   1.00 10.50  ?  52   ASP A O    1 
ATOM   454  C  CB   . ASP A 1 52  ? -16.720 26.255 1.249   1.00 9.97   ?  52   ASP A CB   1 
ATOM   455  C  CG   . ASP A 1 52  ? -17.878 27.054 0.655   1.00 11.49  ?  52   ASP A CG   1 
ATOM   456  O  OD1  . ASP A 1 52  ? -18.964 26.484 0.428   1.00 12.72  ?  52   ASP A OD1  1 
ATOM   457  O  OD2  . ASP A 1 52  ? -17.693 28.236 0.433   1.00 15.34  -1 52   ASP A OD2  1 
ATOM   458  H  H    . ASP A 1 52  ? -18.108 25.572 3.196   1.00 8.65   ?  52   ASP A H    1 
ATOM   459  H  HA   . ASP A 1 52  ? -17.614 24.495 0.787   1.00 9.08   ?  52   ASP A HA   1 
ATOM   460  H  HB2  . ASP A 1 52  ? -16.418 26.700 2.067   1.00 9.92   ?  52   ASP A HB2  1 
ATOM   461  H  HB3  . ASP A 1 52  ? -15.980 26.254 0.608   1.00 9.84   ?  52   ASP A HB3  1 
ATOM   462  N  N    . ALA A 1 53  ? -15.537 23.620 3.002   1.00 9.33   ?  53   ALA A N    1 
ATOM   463  C  CA   . ALA A 1 53  ? -14.490 22.646 3.305   1.00 10.58  ?  53   ALA A CA   1 
ATOM   464  C  C    . ALA A 1 53  ? -14.914 21.211 2.988   1.00 12.12  ?  53   ALA A C    1 
ATOM   465  O  O    . ALA A 1 53  ? -14.095 20.306 3.027   1.00 15.75  ?  53   ALA A O    1 
ATOM   466  C  CB   . ALA A 1 53  ? -14.058 22.811 4.733   1.00 10.39  ?  53   ALA A CB   1 
ATOM   467  H  H    . ALA A 1 53  ? -15.919 24.075 3.696   1.00 9.50   ?  53   ALA A H    1 
ATOM   468  H  HA   . ALA A 1 53  ? -13.716 22.857 2.732   1.00 10.50  ?  53   ALA A HA   1 
ATOM   469  H  HB1  . ALA A 1 53  ? -13.358 22.169 4.937   1.00 10.39  ?  53   ALA A HB1  1 
ATOM   470  H  HB2  . ALA A 1 53  ? -13.719 23.712 4.868   1.00 10.44  ?  53   ALA A HB2  1 
ATOM   471  H  HB3  . ALA A 1 53  ? -14.816 22.661 5.322   1.00 10.46  ?  53   ALA A HB3  1 
ATOM   472  N  N    . ALA A 1 54  ? -16.198 20.989 2.727   1.00 11.50  ?  54   ALA A N    1 
ATOM   473  C  CA   . ALA A 1 54  ? -16.719 19.690 2.318   1.00 12.74  ?  54   ALA A CA   1 
ATOM   474  C  C    . ALA A 1 54  ? -17.178 19.679 0.854   1.00 12.54  ?  54   ALA A C    1 
ATOM   475  O  O    . ALA A 1 54  ? -17.778 18.699 0.418   1.00 15.19  ?  54   ALA A O    1 
ATOM   476  C  CB   . ALA A 1 54  ? -17.818 19.238 3.255   1.00 12.60  ?  54   ALA A CB   1 
ATOM   477  H  H    . ALA A 1 54  ? -16.793 21.674 2.831   1.00 11.78  ?  54   ALA A H    1 
ATOM   478  H  HA   . ALA A 1 54  ? -15.983 19.040 2.394   1.00 12.48  ?  54   ALA A HA   1 
ATOM   479  H  HB1  . ALA A 1 54  ? -18.121 18.351 2.999   1.00 12.65  ?  54   ALA A HB1  1 
ATOM   480  H  HB2  . ALA A 1 54  ? -17.478 19.212 4.166   1.00 12.54  ?  54   ALA A HB2  1 
ATOM   481  H  HB3  . ALA A 1 54  ? -18.563 19.861 3.207   1.00 12.62  ?  54   ALA A HB3  1 
ATOM   482  N  N    . GLY A 1 55  ? -16.905 20.731 0.087   1.00 11.67  ?  55   GLY A N    1 
ATOM   483  C  CA   . GLY A 1 55  ? -17.152 20.701 -1.339  1.00 11.87  ?  55   GLY A CA   1 
ATOM   484  C  C    . GLY A 1 55  ? -18.507 21.243 -1.773  1.00 12.07  ?  55   GLY A C    1 
ATOM   485  O  O    . GLY A 1 55  ? -19.335 21.627 -0.940  1.00 10.62  ?  55   GLY A O    1 
ATOM   486  H  H    . GLY A 1 55  ? -16.555 21.488 0.459   1.00 11.81  ?  55   GLY A H    1 
ATOM   487  H  HA2  . GLY A 1 55  ? -16.443 21.228 -1.787  1.00 11.83  ?  55   GLY A HA2  1 
ATOM   488  H  HA3  . GLY A 1 55  ? -17.063 19.768 -1.658  1.00 11.94  ?  55   GLY A HA3  1 
ATOM   489  N  N    . ALA A 1 56  ? -18.709 21.255 -3.078  1.00 12.78  ?  56   ALA A N    1 
ATOM   490  C  CA   . ALA A 1 56  ? -19.840 21.916 -3.686  1.00 13.06  ?  56   ALA A CA   1 
ATOM   491  C  C    . ALA A 1 56  ? -21.162 21.293 -3.261  1.00 12.09  ?  56   ALA A C    1 
ATOM   492  O  O    . ALA A 1 56  ? -22.208 21.961 -3.324  1.00 13.81  ?  56   ALA A O    1 
ATOM   493  C  CB   . ALA A 1 56  ? -19.692 21.832 -5.177  1.00 14.33  ?  56   ALA A CB   1 
ATOM   494  H  H    . ALA A 1 56  ? -18.110 20.827 -3.620  1.00 12.71  ?  56   ALA A H    1 
ATOM   495  H  HA   . ALA A 1 56  ? -19.836 22.863 -3.415  1.00 13.06  ?  56   ALA A HA   1 
ATOM   496  H  HB1  . ALA A 1 56  ? -20.443 22.279 -5.604  1.00 14.05  ?  56   ALA A HB1  1 
ATOM   497  H  HB2  . ALA A 1 56  ? -18.864 22.264 -5.446  1.00 13.99  ?  56   ALA A HB2  1 
ATOM   498  H  HB3  . ALA A 1 56  ? -19.674 20.900 -5.450  1.00 14.03  ?  56   ALA A HB3  1 
ATOM   499  N  N    . GLU A 1 57  ? -21.152 19.997 -2.931  1.00 11.98  ?  57   GLU A N    1 
ATOM   500  C  CA   . GLU A 1 57  ? -22.405 19.304 -2.645  1.00 11.48  ?  57   GLU A CA   1 
ATOM   501  C  C    . GLU A 1 57  ? -22.804 19.438 -1.173  1.00 9.56   ?  57   GLU A C    1 
ATOM   502  O  O    . GLU A 1 57  ? -23.892 19.044 -0.811  1.00 10.14  ?  57   GLU A O    1 
ATOM   503  C  CB   . GLU A 1 57  ? -22.318 17.825 -3.017  1.00 13.53  ?  57   GLU A CB   1 
ATOM   504  C  CG   . GLU A 1 57  ? -22.129 17.544 -4.492  1.00 17.88  ?  57   GLU A CG   1 
ATOM   505  C  CD   . GLU A 1 57  ? -23.200 18.179 -5.346  1.00 27.00  ?  57   GLU A CD   1 
ATOM   506  O  OE1  . GLU A 1 57  ? -24.433 18.035 -5.000  1.00 37.01  ?  57   GLU A OE1  1 
ATOM   507  O  OE2  . GLU A 1 57  ? -22.791 18.798 -6.358  1.00 40.17  -1 57   GLU A OE2  1 
ATOM   508  H  H    . GLU A 1 57  ? -20.367 19.531 -2.895  1.00 11.92  ?  57   GLU A H    1 
ATOM   509  H  HA   . GLU A 1 57  ? -23.113 19.718 -3.190  1.00 11.43  ?  57   GLU A HA   1 
ATOM   510  H  HB2  . GLU A 1 57  ? -21.572 17.426 -2.524  1.00 13.54  ?  57   GLU A HB2  1 
ATOM   511  H  HB3  . GLU A 1 57  ? -23.141 17.382 -2.719  1.00 13.48  ?  57   GLU A HB3  1 
ATOM   512  H  HG2  . GLU A 1 57  ? -21.254 17.886 -4.776  1.00 17.42  ?  57   GLU A HG2  1 
ATOM   513  H  HG3  . GLU A 1 57  ? -22.137 16.575 -4.642  1.00 17.40  ?  57   GLU A HG3  1 
ATOM   514  N  N    . ALA A 1 58  ? -21.969 20.070 -0.361  1.00 8.98   ?  58   ALA A N    1 
ATOM   515  C  CA   . ALA A 1 58  ? -22.332 20.290 1.043   1.00 8.34   ?  58   ALA A CA   1 
ATOM   516  C  C    . ALA A 1 58  ? -23.122 21.592 1.103   1.00 8.34   ?  58   ALA A C    1 
ATOM   517  O  O    . ALA A 1 58  ? -22.524 22.679 1.144   1.00 7.89   ?  58   ALA A O    1 
ATOM   518  C  CB   . ALA A 1 58  ? -21.091 20.313 1.911   1.00 8.50   ?  58   ALA A CB   1 
ATOM   519  H  H    . ALA A 1 58  ? -21.158 20.364 -0.663  1.00 8.81   ?  58   ALA A H    1 
ATOM   520  H  HA   . ALA A 1 58  ? -22.912 19.552 1.341   1.00 8.41   ?  58   ALA A HA   1 
ATOM   521  H  HB1  . ALA A 1 58  ? -21.339 20.521 2.827   1.00 8.51   ?  58   ALA A HB1  1 
ATOM   522  H  HB2  . ALA A 1 58  ? -20.658 19.444 1.882   1.00 8.26   ?  58   ALA A HB2  1 
ATOM   523  H  HB3  . ALA A 1 58  ? -20.476 20.990 1.581   1.00 8.28   ?  58   ALA A HB3  1 
ATOM   524  N  N    . VAL A 1 59  ? -24.454 21.449 1.129   1.00 7.91   ?  59   VAL A N    1 
ATOM   525  C  CA   . VAL A 1 59  ? -25.371 22.577 0.984   1.00 7.84   ?  59   VAL A CA   1 
ATOM   526  C  C    . VAL A 1 59  ? -26.343 22.713 2.146   1.00 7.38   ?  59   VAL A C    1 
ATOM   527  O  O    . VAL A 1 59  ? -27.205 23.577 2.136   1.00 7.55   ?  59   VAL A O    1 
ATOM   528  C  CB   . VAL A 1 59  ? -26.124 22.538 -0.366  1.00 8.52   ?  59   VAL A CB   1 
ATOM   529  C  CG1  . VAL A 1 59  ? -25.142 22.615 -1.498  1.00 8.60   ?  59   VAL A CG1  1 
ATOM   530  C  CG2  . VAL A 1 59  ? -27.001 21.308 -0.457  1.00 9.41   ?  59   VAL A CG2  1 
ATOM   531  H  H    . VAL A 1 59  ? -24.805 20.611 1.224   1.00 7.98   ?  59   VAL A H    1 
ATOM   532  H  HA   . VAL A 1 59  ? -24.828 23.385 0.980   1.00 7.87   ?  59   VAL A HA   1 
ATOM   533  H  HB   . VAL A 1 59  ? -26.707 23.336 -0.410  1.00 8.49   ?  59   VAL A HB   1 
ATOM   534  H  HG11 . VAL A 1 59  ? -24.564 21.833 -1.481  1.00 8.58   ?  59   VAL A HG11 1 
ATOM   535  H  HG12 . VAL A 1 59  ? -24.602 23.419 -1.406  1.00 8.58   ?  59   VAL A HG12 1 
ATOM   536  H  HG13 . VAL A 1 59  ? -25.623 22.643 -2.343  1.00 8.59   ?  59   VAL A HG13 1 
ATOM   537  H  HG21 . VAL A 1 59  ? -27.443 21.289 -1.324  1.00 9.14   ?  59   VAL A HG21 1 
ATOM   538  H  HG22 . VAL A 1 59  ? -27.672 21.331 0.246   1.00 9.15   ?  59   VAL A HG22 1 
ATOM   539  H  HG23 . VAL A 1 59  ? -26.455 20.509 -0.357  1.00 9.20   ?  59   VAL A HG23 1 
ATOM   540  N  N    . ASP A 1 60  ? -26.230 21.816 3.122   1.00 7.46   ?  60   ASP A N    1 
ATOM   541  C  CA   . ASP A 1 60  ? -27.090 21.827 4.303   1.00 7.38   ?  60   ASP A CA   1 
ATOM   542  C  C    . ASP A 1 60  ? -26.468 20.858 5.293   1.00 7.25   ?  60   ASP A C    1 
ATOM   543  O  O    . ASP A 1 60  ? -25.544 20.132 4.967   1.00 7.52   ?  60   ASP A O    1 
ATOM   544  C  CB   . ASP A 1 60  ? -28.566 21.517 3.970   1.00 7.48   ?  60   ASP A CB   1 
ATOM   545  C  CG   . ASP A 1 60  ? -28.783 20.268 3.125   1.00 7.41   ?  60   ASP A CG   1 
ATOM   546  O  OD1  . ASP A 1 60  ? -27.974 19.339 3.222   1.00 7.15   ?  60   ASP A OD1  1 
ATOM   547  O  OD2  . ASP A 1 60  ? -29.787 20.253 2.408   1.00 8.19   -1 60   ASP A OD2  1 
ATOM   548  H  H    . ASP A 1 60  ? -25.588 21.169 3.061   1.00 7.43   ?  60   ASP A H    1 
ATOM   549  H  HA   . ASP A 1 60  ? -27.053 22.731 4.693   1.00 7.37   ?  60   ASP A HA   1 
ATOM   550  H  HB2  . ASP A 1 60  ? -29.061 21.408 4.807   1.00 7.42   ?  60   ASP A HB2  1 
ATOM   551  H  HB3  . ASP A 1 60  ? -28.950 22.279 3.491   1.00 7.40   ?  60   ASP A HB3  1 
ATOM   552  N  N    . GLU A 1 61  ? -26.979 20.827 6.528   1.00 7.06   ?  61   GLU A N    1 
ATOM   553  C  CA   . GLU A 1 61  ? -26.346 19.972 7.517   1.00 6.73   ?  61   GLU A CA   1 
ATOM   554  C  C    . GLU A 1 61  ? -26.489 18.497 7.148   1.00 7.02   ?  61   GLU A C    1 
ATOM   555  O  O    . GLU A 1 61  ? -25.596 17.708 7.415   1.00 7.26   ?  61   GLU A O    1 
ATOM   556  C  CB   . GLU A 1 61  ? -26.904 20.299 8.905   1.00 6.74   ?  61   GLU A CB   1 
ATOM   557  C  CG   . GLU A 1 61  ? -26.209 19.566 10.035  1.00 6.82   ?  61   GLU A CG   1 
ATOM   558  C  CD   . GLU A 1 61  ? -26.482 20.102 11.430  1.00 6.79   ?  61   GLU A CD   1 
ATOM   559  O  OE1  . GLU A 1 61  ? -26.876 21.263 11.549  1.00 7.05   ?  61   GLU A OE1  1 
ATOM   560  O  OE2  . GLU A 1 61  ? -26.207 19.347 12.391  1.00 7.33   -1 61   GLU A OE2  1 
ATOM   561  H  H    . GLU A 1 61  ? -27.708 21.330 6.753   1.00 7.02   ?  61   GLU A H    1 
ATOM   562  H  HA   . GLU A 1 61  ? -25.385 20.187 7.523   1.00 6.82   ?  61   GLU A HA   1 
ATOM   563  H  HB2  . GLU A 1 61  ? -26.822 21.264 9.052   1.00 6.75   ?  61   GLU A HB2  1 
ATOM   564  H  HB3  . GLU A 1 61  ? -27.858 20.073 8.919   1.00 6.74   ?  61   GLU A HB3  1 
ATOM   565  H  HG2  . GLU A 1 61  ? -26.479 18.623 10.012  1.00 6.79   ?  61   GLU A HG2  1 
ATOM   566  H  HG3  . GLU A 1 61  ? -25.241 19.595 9.880   1.00 6.81   ?  61   GLU A HG3  1 
ATOM   567  N  N    . TRP A 1 62  ? -27.596 18.133 6.501   1.00 7.03   ?  62   TRP A N    1 
ATOM   568  C  CA   A TRP A 1 62  ? -27.807 16.776 6.055   0.50 7.58   ?  62   TRP A CA   1 
ATOM   569  C  CA   B TRP A 1 62  ? -27.803 16.758 6.056   0.50 7.30   ?  62   TRP A CA   1 
ATOM   570  C  C    . TRP A 1 62  ? -26.673 16.337 5.122   1.00 7.27   ?  62   TRP A C    1 
ATOM   571  O  O    . TRP A 1 62  ? -25.988 15.362 5.355   1.00 7.45   ?  62   TRP A O    1 
ATOM   572  C  CB   A TRP A 1 62  ? -29.192 16.774 5.403   0.50 7.96   ?  62   TRP A CB   1 
ATOM   573  C  CB   B TRP A 1 62  ? -29.179 16.588 5.384   0.50 7.22   ?  62   TRP A CB   1 
ATOM   574  C  CG   A TRP A 1 62  ? -29.661 15.417 5.019   0.50 9.37   ?  62   TRP A CG   1 
ATOM   575  C  CG   B TRP A 1 62  ? -29.454 15.216 4.827   0.50 7.30   ?  62   TRP A CG   1 
ATOM   576  C  CD1  A TRP A 1 62  ? -30.344 14.513 5.775   0.50 10.22  ?  62   TRP A CD1  1 
ATOM   577  C  CD1  B TRP A 1 62  ? -28.959 14.648 3.677   0.50 7.63   ?  62   TRP A CD1  1 
ATOM   578  C  CD2  A TRP A 1 62  ? -29.444 14.801 3.745   0.50 10.87  ?  62   TRP A CD2  1 
ATOM   579  C  CD2  B TRP A 1 62  ? -30.361 14.243 5.394   0.50 7.52   ?  62   TRP A CD2  1 
ATOM   580  N  NE1  A TRP A 1 62  ? -30.586 13.387 5.047   0.50 11.32  ?  62   TRP A NE1  1 
ATOM   581  N  NE1  B TRP A 1 62  ? -29.472 13.384 3.494   0.50 7.65   ?  62   TRP A NE1  1 
ATOM   582  C  CE2  A TRP A 1 62  ? -30.043 13.528 3.804   0.50 11.77  ?  62   TRP A CE2  1 
ATOM   583  C  CE2  B TRP A 1 62  ? -30.334 13.104 4.540   0.50 7.55   ?  62   TRP A CE2  1 
ATOM   584  C  CE3  A TRP A 1 62  ? -28.804 15.197 2.571   0.50 11.48  ?  62   TRP A CE3  1 
ATOM   585  C  CE3  B TRP A 1 62  ? -31.188 14.235 6.524   0.50 7.57   ?  62   TRP A CE3  1 
ATOM   586  C  CZ2  A TRP A 1 62  ? -30.019 12.647 2.732   0.50 13.00  ?  62   TRP A CZ2  1 
ATOM   587  C  CZ2  B TRP A 1 62  ? -31.130 11.977 4.802   0.50 7.60   ?  62   TRP A CZ2  1 
ATOM   588  C  CZ3  A TRP A 1 62  ? -28.788 14.331 1.504   0.50 12.72  ?  62   TRP A CZ3  1 
ATOM   589  C  CZ3  B TRP A 1 62  ? -31.953 13.112 6.783   0.50 7.67   ?  62   TRP A CZ3  1 
ATOM   590  C  CH2  A TRP A 1 62  ? -29.363 13.063 1.602   0.50 13.80  ?  62   TRP A CH2  1 
ATOM   591  C  CH2  B TRP A 1 62  ? -31.921 11.978 5.948   0.50 7.86   ?  62   TRP A CH2  1 
ATOM   592  H  H    . TRP A 1 62  ? -28.244 18.755 6.333   1.00 7.11   ?  62   TRP A H    1 
ATOM   593  H  HA   A TRP A 1 62  ? -27.830 16.187 6.845   0.50 7.46   ?  62   TRP A HA   1 
ATOM   594  H  HA   B TRP A 1 62  ? -27.784 16.178 6.854   0.50 7.21   ?  62   TRP A HA   1 
ATOM   595  H  HB2  A TRP A 1 62  ? -29.831 17.166 6.030   0.50 7.95   ?  62   TRP A HB2  1 
ATOM   596  H  HB2  B TRP A 1 62  ? -29.869 16.806 6.043   0.50 7.18   ?  62   TRP A HB2  1 
ATOM   597  H  HB3  A TRP A 1 62  ? -29.162 17.342 4.607   0.50 8.00   ?  62   TRP A HB3  1 
ATOM   598  H  HB3  B TRP A 1 62  ? -29.246 17.243 4.658   0.50 7.22   ?  62   TRP A HB3  1 
ATOM   599  H  HD1  A TRP A 1 62  ? -30.640 14.652 6.661   0.50 10.06  ?  62   TRP A HD1  1 
ATOM   600  H  HD1  B TRP A 1 62  ? -28.330 15.054 3.101   0.50 7.53   ?  62   TRP A HD1  1 
ATOM   601  H  HE1  A TRP A 1 62  ? -31.012 12.678 5.339   0.50 11.04  ?  62   TRP A HE1  1 
ATOM   602  H  HE1  B TRP A 1 62  ? -29.272 12.842 2.834   0.50 7.59   ?  62   TRP A HE1  1 
ATOM   603  H  HE3  A TRP A 1 62  ? -28.398 16.047 2.509   0.50 11.56  ?  62   TRP A HE3  1 
ATOM   604  H  HE3  B TRP A 1 62  ? -31.216 14.977 7.098   0.50 7.58   ?  62   TRP A HE3  1 
ATOM   605  H  HZ2  A TRP A 1 62  ? -30.418 11.795 2.789   0.50 12.85  ?  62   TRP A HZ2  1 
ATOM   606  H  HZ2  B TRP A 1 62  ? -31.098 11.224 4.237   0.50 7.61   ?  62   TRP A HZ2  1 
ATOM   607  H  HZ3  A TRP A 1 62  ? -28.354 14.583 0.705   0.50 12.69  ?  62   TRP A HZ3  1 
ATOM   608  H  HZ3  B TRP A 1 62  ? -32.500 13.097 7.552   0.50 7.68   ?  62   TRP A HZ3  1 
ATOM   609  H  HH2  A TRP A 1 62  ? -29.349 12.496 0.851   0.50 13.50  ?  62   TRP A HH2  1 
ATOM   610  H  HH2  B TRP A 1 62  ? -32.456 11.231 6.149   0.50 7.80   ?  62   TRP A HH2  1 
ATOM   611  N  N    . SER A 1 63  ? -26.477 17.120 4.055   1.00 7.49   ?  63   SER A N    1 
ATOM   612  C  CA   . SER A 1 63  ? -25.491 16.764 3.044   1.00 7.69   ?  63   SER A CA   1 
ATOM   613  C  C    . SER A 1 63  ? -24.073 16.872 3.590   1.00 7.77   ?  63   SER A C    1 
ATOM   614  O  O    . SER A 1 63  ? -23.194 16.088 3.239   1.00 9.19   ?  63   SER A O    1 
ATOM   615  C  CB   . SER A 1 63  ? -25.680 17.555 1.762   1.00 8.29   ?  63   SER A CB   1 
ATOM   616  O  OG   . SER A 1 63  ? -25.609 18.962 1.991   1.00 8.45   ?  63   SER A OG   1 
ATOM   617  H  H    . SER A 1 63  ? -26.963 17.887 3.953   1.00 7.47   ?  63   SER A H    1 
ATOM   618  H  HA   . SER A 1 63  ? -25.642 15.806 2.819   1.00 7.72   ?  63   SER A HA   1 
ATOM   619  H  HB2  . SER A 1 63  ? -24.985 17.296 1.116   1.00 8.19   ?  63   SER A HB2  1 
ATOM   620  H  HB3  . SER A 1 63  ? -26.555 17.333 1.371   1.00 8.19   ?  63   SER A HB3  1 
ATOM   621  H  HG   . SER A 1 63  ? -24.806 19.206 1.906   0.00 8.31   ?  63   SER A HG   1 
ATOM   622  N  N    . LEU A 1 64  ? -23.816 17.891 4.406   1.00 7.42   ?  64   LEU A N    1 
ATOM   623  C  CA   . LEU A 1 64  ? -22.513 18.070 5.037   1.00 7.52   ?  64   LEU A CA   1 
ATOM   624  C  C    . LEU A 1 64  ? -22.143 16.819 5.819   1.00 7.60   ?  64   LEU A C    1 
ATOM   625  O  O    . LEU A 1 64  ? -21.057 16.241 5.660   1.00 8.21   ?  64   LEU A O    1 
ATOM   626  C  CB   . LEU A 1 64  ? -22.530 19.316 5.926   1.00 7.79   ?  64   LEU A CB   1 
ATOM   627  C  CG   . LEU A 1 64  ? -21.298 19.521 6.800   1.00 8.49   ?  64   LEU A CG   1 
ATOM   628  C  CD1  . LEU A 1 64  ? -20.070 19.757 5.947   1.00 8.91   ?  64   LEU A CD1  1 
ATOM   629  C  CD2  . LEU A 1 64  ? -21.545 20.710 7.683   1.00 9.03   ?  64   LEU A CD2  1 
ATOM   630  H  H    . LEU A 1 64  ? -24.472 18.505 4.574   1.00 7.46   ?  64   LEU A H    1 
ATOM   631  H  HA   . LEU A 1 64  ? -21.847 18.196 4.323   1.00 7.49   ?  64   LEU A HA   1 
ATOM   632  H  HB2  . LEU A 1 64  ? -22.636 20.101 5.352   1.00 7.83   ?  64   LEU A HB2  1 
ATOM   633  H  HB3  . LEU A 1 64  ? -23.316 19.267 6.506   1.00 7.89   ?  64   LEU A HB3  1 
ATOM   634  H  HG   . LEU A 1 64  ? -21.157 18.722 7.364   1.00 8.47   ?  64   LEU A HG   1 
ATOM   635  H  HD11 . LEU A 1 64  ? -19.287 19.831 6.521   1.00 8.82   ?  64   LEU A HD11 1 
ATOM   636  H  HD12 . LEU A 1 64  ? -20.180 20.582 5.442   1.00 8.83   ?  64   LEU A HD12 1 
ATOM   637  H  HD13 . LEU A 1 64  ? -19.951 19.014 5.331   1.00 8.83   ?  64   LEU A HD13 1 
ATOM   638  H  HD21 . LEU A 1 64  ? -22.315 20.537 8.253   1.00 8.93   ?  64   LEU A HD21 1 
ATOM   639  H  HD22 . LEU A 1 64  ? -21.718 21.493 7.133   1.00 8.93   ?  64   LEU A HD22 1 
ATOM   640  H  HD23 . LEU A 1 64  ? -20.762 20.871 8.237   1.00 8.83   ?  64   LEU A HD23 1 
ATOM   641  N  N    . THR A 1 65  ? -23.032 16.402 6.702   1.00 7.61   ?  65   THR A N    1 
ATOM   642  C  CA   . THR A 1 65  ? -22.727 15.244 7.535   1.00 7.30   ?  65   THR A CA   1 
ATOM   643  C  C    . THR A 1 65  ? -22.655 13.961 6.702   1.00 7.24   ?  65   THR A C    1 
ATOM   644  O  O    . THR A 1 65  ? -21.829 13.104 6.974   1.00 8.52   ?  65   THR A O    1 
ATOM   645  C  CB   . THR A 1 65  ? -23.713 15.119 8.697   1.00 7.31   ?  65   THR A CB   1 
ATOM   646  O  OG1  . THR A 1 65  ? -25.057 14.915 8.250   1.00 7.40   ?  65   THR A OG1  1 
ATOM   647  C  CG2  . THR A 1 65  ? -23.643 16.336 9.605   1.00 7.64   ?  65   THR A CG2  1 
ATOM   648  H  H    . THR A 1 65  ? -23.835 16.829 6.794   1.00 7.47   ?  65   THR A H    1 
ATOM   649  H  HA   . THR A 1 65  ? -21.835 15.395 7.924   1.00 7.25   ?  65   THR A HA   1 
ATOM   650  H  HB   . THR A 1 65  ? -23.446 14.330 9.226   1.00 7.31   ?  65   THR A HB   1 
ATOM   651  H  HG1  . THR A 1 65  ? -25.292 15.566 7.766   0.00 7.34   ?  65   THR A HG1  1 
ATOM   652  H  HG21 . THR A 1 65  ? -24.299 16.246 10.319  1.00 7.53   ?  65   THR A HG21 1 
ATOM   653  H  HG22 . THR A 1 65  ? -23.832 17.140 9.093   1.00 7.59   ?  65   THR A HG22 1 
ATOM   654  H  HG23 . THR A 1 65  ? -22.752 16.402 9.992   1.00 7.58   ?  65   THR A HG23 1 
ATOM   655  N  N    . LYS A 1 66  ? -23.476 13.850 5.650   1.00 8.08   ?  66   LYS A N    1 
ATOM   656  C  CA   . LYS A 1 66  ? -23.450 12.657 4.803   1.00 9.23   ?  66   LYS A CA   1 
ATOM   657  C  C    . LYS A 1 66  ? -22.094 12.573 4.082   1.00 9.95   ?  66   LYS A C    1 
ATOM   658  O  O    . LYS A 1 66  ? -21.508 11.500 3.950   1.00 10.56  ?  66   LYS A O    1 
ATOM   659  C  CB   . LYS A 1 66  ? -24.631 12.710 3.834   1.00 11.49  ?  66   LYS A CB   1 
ATOM   660  C  CG   . LYS A 1 66  ? -24.755 11.464 2.979   1.00 14.80  ?  66   LYS A CG   1 
ATOM   661  C  CD   . LYS A 1 66  ? -25.937 11.507 2.059   1.00 19.57  ?  66   LYS A CD   1 
ATOM   662  C  CE   . LYS A 1 66  ? -25.894 10.398 1.028   1.00 25.83  ?  66   LYS A CE   1 
ATOM   663  N  NZ   . LYS A 1 66  ? -26.021 9.073  1.665   1.00 31.14  1  66   LYS A NZ   1 
ATOM   664  H  H    . LYS A 1 66  ? -24.066 14.521 5.457   1.00 8.00   ?  66   LYS A H    1 
ATOM   665  H  HA   . LYS A 1 66  ? -23.550 11.865 5.380   1.00 9.32   ?  66   LYS A HA   1 
ATOM   666  H  HB2  . LYS A 1 66  ? -25.457 12.827 4.348   1.00 11.32  ?  66   LYS A HB2  1 
ATOM   667  H  HB3  . LYS A 1 66  ? -24.524 13.488 3.248   1.00 11.36  ?  66   LYS A HB3  1 
ATOM   668  H  HG2  . LYS A 1 66  ? -23.938 11.360 2.446   1.00 14.59  ?  66   LYS A HG2  1 
ATOM   669  H  HG3  . LYS A 1 66  ? -24.834 10.683 3.567   1.00 14.67  ?  66   LYS A HG3  1 
ATOM   670  H  HD2  . LYS A 1 66  ? -26.760 11.424 2.586   1.00 19.16  ?  66   LYS A HD2  1 
ATOM   671  H  HD3  . LYS A 1 66  ? -25.956 12.372 1.597   1.00 19.18  ?  66   LYS A HD3  1 
ATOM   672  H  HE2  . LYS A 1 66  ? -26.621 10.517 0.389   1.00 25.12  ?  66   LYS A HE2  1 
ATOM   673  H  HE3  . LYS A 1 66  ? -25.050 10.436 0.539   1.00 25.02  ?  66   LYS A HE3  1 
ATOM   674  H  HZ1  . LYS A 1 66  ? -26.710 9.080  2.256   1.00 29.61  ?  66   LYS A HZ1  1 
ATOM   675  H  HZ2  . LYS A 1 66  ? -25.254 8.865  2.103   1.00 29.41  ?  66   LYS A HZ2  1 
ATOM   676  H  HZ3  . LYS A 1 66  ? -26.181 8.443  1.033   1.00 29.78  ?  66   LYS A HZ3  1 
ATOM   677  N  N    . ILE A 1 67  ? -21.629 13.703 3.541   1.00 9.26   ?  67   ILE A N    1 
ATOM   678  C  CA   . ILE A 1 67  ? -20.371 13.744 2.815   1.00 10.02  ?  67   ILE A CA   1 
ATOM   679  C  C    . ILE A 1 67  ? -19.217 13.375 3.730   1.00 10.11  ?  67   ILE A C    1 
ATOM   680  O  O    . ILE A 1 67  ? -18.329 12.627 3.371   1.00 11.92  ?  67   ILE A O    1 
ATOM   681  C  CB   . ILE A 1 67  ? -20.190 15.133 2.174   1.00 10.41  ?  67   ILE A CB   1 
ATOM   682  C  CG1  . ILE A 1 67  ? -21.132 15.298 0.979   1.00 11.41  ?  67   ILE A CG1  1 
ATOM   683  C  CG2  . ILE A 1 67  ? -18.746 15.360 1.732   1.00 11.71  ?  67   ILE A CG2  1 
ATOM   684  C  CD1  . ILE A 1 67  ? -21.350 16.743 0.611   1.00 12.64  ?  67   ILE A CD1  1 
ATOM   685  H  H    . ILE A 1 67  ? -22.116 14.472 3.622   1.00 9.53   ?  67   ILE A H    1 
ATOM   686  H  HA   . ILE A 1 67  ? -20.414 13.085 2.098   1.00 9.94   ?  67   ILE A HA   1 
ATOM   687  H  HB   . ILE A 1 67  ? -20.421 15.818 2.848   1.00 10.61  ?  67   ILE A HB   1 
ATOM   688  H  HG12 . ILE A 1 67  ? -20.754 14.825 0.207   1.00 11.34  ?  67   ILE A HG12 1 
ATOM   689  H  HG13 . ILE A 1 67  ? -21.997 14.888 1.193   1.00 11.32  ?  67   ILE A HG13 1 
ATOM   690  H  HG21 . ILE A 1 67  ? -18.446 14.604 1.196   1.00 11.45  ?  67   ILE A HG21 1 
ATOM   691  H  HG22 . ILE A 1 67  ? -18.173 15.449 2.514   1.00 11.41  ?  67   ILE A HG22 1 
ATOM   692  H  HG23 . ILE A 1 67  ? -18.690 16.172 1.200   1.00 11.43  ?  67   ILE A HG23 1 
ATOM   693  H  HD11 . ILE A 1 67  ? -20.521 17.122 0.271   1.00 12.34  ?  67   ILE A HD11 1 
ATOM   694  H  HD12 . ILE A 1 67  ? -21.634 17.240 1.398   1.00 12.36  ?  67   ILE A HD12 1 
ATOM   695  H  HD13 . ILE A 1 67  ? -22.038 16.803 -0.075  1.00 12.36  ?  67   ILE A HD13 1 
ATOM   696  N  N    . LEU A 1 68  ? -19.244 13.915 4.944   1.00 9.68   ?  68   LEU A N    1 
ATOM   697  C  CA   . LEU A 1 68  ? -18.110 13.717 5.826   1.00 10.44  ?  68   LEU A CA   1 
ATOM   698  C  C    . LEU A 1 68  ? -18.118 12.308 6.409   1.00 9.79   ?  68   LEU A C    1 
ATOM   699  O  O    . LEU A 1 68  ? -17.057 11.786 6.756   1.00 10.75  ?  68   LEU A O    1 
ATOM   700  C  CB   . LEU A 1 68  ? -18.122 14.746 6.949   1.00 9.65   ?  68   LEU A CB   1 
ATOM   701  C  CG   . LEU A 1 68  ? -17.906 16.194 6.540   1.00 10.34  ?  68   LEU A CG   1 
ATOM   702  C  CD1  . LEU A 1 68  ? -18.048 17.118 7.741   1.00 10.19  ?  68   LEU A CD1  1 
ATOM   703  C  CD2  . LEU A 1 68  ? -16.532 16.306 5.885   1.00 10.55  ?  68   LEU A CD2  1 
ATOM   704  H  H    . LEU A 1 68  ? -19.959 14.409 5.226   1.00 9.87   ?  68   LEU A H    1 
ATOM   705  H  HA   . LEU A 1 68  ? -17.287 13.826 5.298   1.00 10.10  ?  68   LEU A HA   1 
ATOM   706  H  HB2  . LEU A 1 68  ? -18.982 14.682 7.410   1.00 9.92   ?  68   LEU A HB2  1 
ATOM   707  H  HB3  . LEU A 1 68  ? -17.427 14.502 7.593   1.00 9.92   ?  68   LEU A HB3  1 
ATOM   708  H  HG   . LEU A 1 68  ? -18.591 16.438 5.872   1.00 10.22  ?  68   LEU A HG   1 
ATOM   709  H  HD11 . LEU A 1 68  ? -18.068 18.043 7.439   1.00 10.22  ?  68   LEU A HD11 1 
ATOM   710  H  HD12 . LEU A 1 68  ? -17.293 16.989 8.341   1.00 10.18  ?  68   LEU A HD12 1 
ATOM   711  H  HD13 . LEU A 1 68  ? -18.875 16.914 8.212   1.00 10.22  ?  68   LEU A HD13 1 
ATOM   712  H  HD21 . LEU A 1 68  ? -16.559 15.906 4.998   1.00 10.52  ?  68   LEU A HD21 1 
ATOM   713  H  HD22 . LEU A 1 68  ? -15.872 15.843 6.431   1.00 10.51  ?  68   LEU A HD22 1 
ATOM   714  H  HD23 . LEU A 1 68  ? -16.286 17.245 5.808   1.00 10.52  ?  68   LEU A HD23 1 
ATOM   715  N  N    . GLY A 1 69  ? -19.290 11.711 6.571   1.00 9.87   ?  69   GLY A N    1 
ATOM   716  C  CA   . GLY A 1 69  ? -19.420 10.476 7.334   1.00 10.13  ?  69   GLY A CA   1 
ATOM   717  C  C    . GLY A 1 69  ? -19.476 10.753 8.828   1.00 9.50   ?  69   GLY A C    1 
ATOM   718  O  O    . GLY A 1 69  ? -19.150 11.849 9.267   1.00 9.52   ?  69   GLY A O    1 
ATOM   719  H  H    . GLY A 1 69  ? -20.040 12.078 6.200   1.00 9.89   ?  69   GLY A H    1 
ATOM   720  H  HA2  . GLY A 1 69  ? -20.248 10.010 7.055   1.00 9.92   ?  69   GLY A HA2  1 
ATOM   721  H  HA3  . GLY A 1 69  ? -18.651 9.885  7.136   1.00 9.93   ?  69   GLY A HA3  1 
ATOM   722  N  N    . LYS A 1 70  ? -19.892 9.752  9.595   1.00 10.26  ?  70   LYS A N    1 
ATOM   723  C  CA   . LYS A 1 70  ? -20.249 9.996  10.982  1.00 10.39  ?  70   LYS A CA   1 
ATOM   724  C  C    . LYS A 1 70  ? -19.065 10.494 11.806  1.00 10.34  ?  70   LYS A C    1 
ATOM   725  O  O    . LYS A 1 70  ? -19.222 11.442 12.596  1.00 10.64  ?  70   LYS A O    1 
ATOM   726  C  CB   . LYS A 1 70  ? -20.868 8.749  11.621  1.00 10.73  ?  70   LYS A CB   1 
ATOM   727  C  CG   . LYS A 1 70  ? -22.244 8.372  11.082  1.00 10.49  ?  70   LYS A CG   1 
ATOM   728  C  CD   . LYS A 1 70  ? -23.373 9.227  11.601  1.00 11.12  ?  70   LYS A CD   1 
ATOM   729  C  CE   . LYS A 1 70  ? -24.712 8.734  11.120  1.00 12.11  ?  70   LYS A CE   1 
ATOM   730  N  NZ   . LYS A 1 70  ? -25.850 9.308  11.882  1.00 14.82  1  70   LYS A NZ   1 
ATOM   731  H  H    . LYS A 1 70  ? -19.954 8.906  9.256   1.00 10.05  ?  70   LYS A H    1 
ATOM   732  H  HA   . LYS A 1 70  ? -20.933 10.705 10.986  1.00 10.42  ?  70   LYS A HA   1 
ATOM   733  H  HB2  . LYS A 1 70  ? -20.260 7.993  11.480  1.00 10.63  ?  70   LYS A HB2  1 
ATOM   734  H  HB3  . LYS A 1 70  ? -20.941 8.898  12.587  1.00 10.69  ?  70   LYS A HB3  1 
ATOM   735  H  HG2  . LYS A 1 70  ? -22.224 8.435  10.104  1.00 10.52  ?  70   LYS A HG2  1 
ATOM   736  H  HG3  . LYS A 1 70  ? -22.424 7.436  11.315  1.00 10.59  ?  70   LYS A HG3  1 
ATOM   737  H  HD2  . LYS A 1 70  ? -23.361 9.220  12.582  1.00 11.10  ?  70   LYS A HD2  1 
ATOM   738  H  HD3  . LYS A 1 70  ? -23.243 10.152 11.300  1.00 11.17  ?  70   LYS A HD3  1 
ATOM   739  H  HE2  . LYS A 1 70  ? -24.820 8.964  10.177  1.00 12.24  ?  70   LYS A HE2  1 
ATOM   740  H  HE3  . LYS A 1 70  ? -24.745 7.762  11.196  1.00 12.26  ?  70   LYS A HE3  1 
ATOM   741  H  HZ1  . LYS A 1 70  ? -25.863 10.209 11.784  1.00 13.99  ?  70   LYS A HZ1  1 
ATOM   742  H  HZ2  . LYS A 1 70  ? -25.764 9.105  12.762  1.00 14.26  ?  70   LYS A HZ2  1 
ATOM   743  H  HZ3  . LYS A 1 70  ? -26.631 8.965  11.573  1.00 14.00  ?  70   LYS A HZ3  1 
ATOM   744  N  N    . GLU A 1 71  ? -17.923 9.821  11.713  1.00 10.56  ?  71   GLU A N    1 
ATOM   745  C  CA   . GLU A 1 71  ? -16.799 10.155 12.574  1.00 11.72  ?  71   GLU A CA   1 
ATOM   746  C  C    . GLU A 1 71  ? -16.281 11.555 12.273  1.00 10.65  ?  71   GLU A C    1 
ATOM   747  O  O    . GLU A 1 71  ? -16.118 12.357 13.160  1.00 10.72  ?  71   GLU A O    1 
ATOM   748  C  CB   . GLU A 1 71  ? -15.675 9.149  12.381  1.00 14.35  ?  71   GLU A CB   1 
ATOM   749  C  CG   . GLU A 1 71  ? -14.420 9.459  13.188  1.00 19.52  ?  71   GLU A CG   1 
ATOM   750  C  CD   . GLU A 1 71  ? -13.379 8.342  13.217  1.00 25.23  ?  71   GLU A CD   1 
ATOM   751  O  OE1  . GLU A 1 71  ? -13.602 7.314  12.525  1.00 31.69  ?  71   GLU A OE1  1 
ATOM   752  O  OE2  . GLU A 1 71  ? -12.364 8.481  13.982  1.00 33.29  -1 71   GLU A OE2  1 
ATOM   753  H  H    . GLU A 1 71  ? -17.837 9.142  11.107  1.00 10.64  ?  71   GLU A H    1 
ATOM   754  H  HA   . GLU A 1 71  ? -17.101 10.122 13.511  1.00 11.56  ?  71   GLU A HA   1 
ATOM   755  H  HB2  . GLU A 1 71  ? -16.006 8.263  12.636  1.00 14.28  ?  71   GLU A HB2  1 
ATOM   756  H  HB3  . GLU A 1 71  ? -15.442 9.121  11.430  1.00 14.40  ?  71   GLU A HB3  1 
ATOM   757  H  HG2  . GLU A 1 71  ? -13.996 10.263 12.819  1.00 18.63  ?  71   GLU A HG2  1 
ATOM   758  H  HG3  . GLU A 1 71  ? -14.680 9.662  14.112  1.00 18.72  ?  71   GLU A HG3  1 
ATOM   759  N  N    . GLU A 1 72  ? -16.048 11.876 11.005  1.00 10.04  ?  72   GLU A N    1 
ATOM   760  C  CA   . GLU A 1 72  ? -15.499 13.175 10.639  1.00 9.90   ?  72   GLU A CA   1 
ATOM   761  C  C    . GLU A 1 72  ? -16.551 14.269 10.842  1.00 9.08   ?  72   GLU A C    1 
ATOM   762  O  O    . GLU A 1 72  ? -16.217 15.394 11.199  1.00 8.94   ?  72   GLU A O    1 
ATOM   763  C  CB   . GLU A 1 72  ? -14.983 13.177 9.192   1.00 11.06  ?  72   GLU A CB   1 
ATOM   764  C  CG   . GLU A 1 72  ? -14.267 14.452 8.812   1.00 12.02  ?  72   GLU A CG   1 
ATOM   765  C  CD   . GLU A 1 72  ? -12.965 14.756 9.525   1.00 13.41  ?  72   GLU A CD   1 
ATOM   766  O  OE1  . GLU A 1 72  ? -12.421 13.842 10.216  1.00 17.11  ?  72   GLU A OE1  1 
ATOM   767  O  OE2  . GLU A 1 72  ? -12.497 15.938 9.405   1.00 15.18  -1 72   GLU A OE2  1 
ATOM   768  H  H    . GLU A 1 72  ? -16.231 11.271 10.345  1.00 10.14  ?  72   GLU A H    1 
ATOM   769  H  HA   . GLU A 1 72  ? -14.741 13.363 11.239  1.00 9.88   ?  72   GLU A HA   1 
ATOM   770  H  HB2  . GLU A 1 72  ? -14.371 12.420 9.075   1.00 10.91  ?  72   GLU A HB2  1 
ATOM   771  H  HB3  . GLU A 1 72  ? -15.743 13.047 8.589   1.00 10.94  ?  72   GLU A HB3  1 
ATOM   772  H  HG2  . GLU A 1 72  ? -14.080 14.423 7.850   1.00 11.85  ?  72   GLU A HG2  1 
ATOM   773  H  HG3  . GLU A 1 72  ? -14.874 15.207 8.961   1.00 12.05  ?  72   GLU A HG3  1 
ATOM   774  N  N    . ALA A 1 73  ? -17.835 13.983 10.613  1.00 8.82   ?  73   ALA A N    1 
ATOM   775  C  CA   . ALA A 1 73  ? -18.854 14.973 10.880  1.00 8.57   ?  73   ALA A CA   1 
ATOM   776  C  C    . ALA A 1 73  ? -18.845 15.304 12.369  1.00 8.01   ?  73   ALA A C    1 
ATOM   777  O  O    . ALA A 1 73  ? -18.943 16.471 12.734  1.00 8.23   ?  73   ALA A O    1 
ATOM   778  C  CB   . ALA A 1 73  ? -20.227 14.490 10.470  1.00 8.82   ?  73   ALA A CB   1 
ATOM   779  H  H    . ALA A 1 73  ? -18.076 13.166 10.281  1.00 8.82   ?  73   ALA A H    1 
ATOM   780  H  HA   . ALA A 1 73  ? -18.640 15.792 10.374  1.00 8.54   ?  73   ALA A HA   1 
ATOM   781  H  HB1  . ALA A 1 73  ? -20.889 15.165 10.691  1.00 8.73   ?  73   ALA A HB1  1 
ATOM   782  H  HB2  . ALA A 1 73  ? -20.241 14.325 9.512   1.00 8.75   ?  73   ALA A HB2  1 
ATOM   783  H  HB3  . ALA A 1 73  ? -20.436 13.666 10.942  1.00 8.77   ?  73   ALA A HB3  1 
ATOM   784  N  N    . GLU A 1 74  ? -18.806 14.283 13.226  1.00 8.34   ?  74   GLU A N    1 
ATOM   785  C  CA   . GLU A 1 74  ? -18.775 14.571 14.657  1.00 8.98   ?  74   GLU A CA   1 
ATOM   786  C  C    . GLU A 1 74  ? -17.572 15.445 15.009  1.00 8.61   ?  74   GLU A C    1 
ATOM   787  O  O    . GLU A 1 74  ? -17.699 16.399 15.768  1.00 8.29   ?  74   GLU A O    1 
ATOM   788  C  CB   . GLU A 1 74  ? -18.792 13.288 15.467  1.00 9.85   ?  74   GLU A CB   1 
ATOM   789  C  CG   . GLU A 1 74  ? -18.734 13.523 16.974  1.00 10.68  ?  74   GLU A CG   1 
ATOM   790  C  CD   . GLU A 1 74  ? -19.985 14.159 17.563  1.00 11.61  ?  74   GLU A CD   1 
ATOM   791  O  OE1  . GLU A 1 74  ? -21.084 13.991 16.964  1.00 11.98  ?  74   GLU A OE1  1 
ATOM   792  O  OE2  . GLU A 1 74  ? -19.853 14.850 18.592  1.00 14.23  -1 74   GLU A OE2  1 
ATOM   793  H  H    . GLU A 1 74  ? -18.804 13.417 12.933  1.00 8.29   ?  74   GLU A H    1 
ATOM   794  H  HA   . GLU A 1 74  ? -19.590 15.078 14.876  1.00 8.92   ?  74   GLU A HA   1 
ATOM   795  H  HB2  . GLU A 1 74  ? -19.608 12.790 15.251  1.00 9.78   ?  74   GLU A HB2  1 
ATOM   796  H  HB3  . GLU A 1 74  ? -18.025 12.739 15.200  1.00 9.75   ?  74   GLU A HB3  1 
ATOM   797  H  HG2  . GLU A 1 74  ? -18.587 12.662 17.422  1.00 10.59  ?  74   GLU A HG2  1 
ATOM   798  H  HG3  . GLU A 1 74  ? -17.966 14.096 17.181  1.00 10.68  ?  74   GLU A HG3  1 
ATOM   799  N  N    . ALA A 1 75  ? -16.415 15.141 14.403  1.00 8.75   ?  75   ALA A N    1 
ATOM   800  C  CA   . ALA A 1 75  ? -15.201 15.901 14.664  1.00 9.27   ?  75   ALA A CA   1 
ATOM   801  C  C    . ALA A 1 75  ? -15.365 17.362 14.261  1.00 8.28   ?  75   ALA A C    1 
ATOM   802  O  O    . ALA A 1 75  ? -15.120 18.284 15.046  1.00 9.14   ?  75   ALA A O    1 
ATOM   803  C  CB   . ALA A 1 75  ? -13.986 15.285 14.019  1.00 10.16  ?  75   ALA A CB   1 
ATOM   804  H  H    . ALA A 1 75  ? -16.379 14.439 13.818  1.00 8.83   ?  75   ALA A H    1 
ATOM   805  H  HA   . ALA A 1 75  ? -15.055 15.886 15.639  1.00 9.12   ?  75   ALA A HA   1 
ATOM   806  H  HB1  . ALA A 1 75  ? -13.202 15.822 14.222  1.00 9.93   ?  75   ALA A HB1  1 
ATOM   807  H  HB2  . ALA A 1 75  ? -13.857 14.384 14.362  1.00 9.94   ?  75   ALA A HB2  1 
ATOM   808  H  HB3  . ALA A 1 75  ? -14.112 15.249 13.056  1.00 10.05  ?  75   ALA A HB3  1 
ATOM   809  N  N    . ARG A 1 76  ? -15.788 17.609 13.020  1.00 8.01   ?  76   ARG A N    1 
ATOM   810  C  CA   . ARG A 1 76  ? -15.820 18.970 12.518  1.00 8.49   ?  76   ARG A CA   1 
ATOM   811  C  C    . ARG A 1 76  ? -16.963 19.756 13.153  1.00 7.61   ?  76   ARG A C    1 
ATOM   812  O  O    . ARG A 1 76  ? -16.808 20.938 13.490  1.00 7.62   ?  76   ARG A O    1 
ATOM   813  C  CB   . ARG A 1 76  ? -15.954 18.985 11.005  1.00 9.19   ?  76   ARG A CB   1 
ATOM   814  C  CG   . ARG A 1 76  ? -14.790 18.346 10.261  1.00 9.72   ?  76   ARG A CG   1 
ATOM   815  C  CD   . ARG A 1 76  ? -14.763 18.804 8.824   1.00 10.45  ?  76   ARG A CD   1 
ATOM   816  N  NE   . ARG A 1 76  ? -13.820 18.041 8.071   1.00 11.92  ?  76   ARG A NE   1 
ATOM   817  C  CZ   . ARG A 1 76  ? -13.577 18.206 6.795   1.00 13.23  ?  76   ARG A CZ   1 
ATOM   818  N  NH1  . ARG A 1 76  ? -14.196 19.176 6.133   1.00 13.93  1  76   ARG A NH1  1 
ATOM   819  N  NH2  . ARG A 1 76  ? -12.743 17.392 6.173   1.00 15.14  ?  76   ARG A NH2  1 
ATOM   820  H  H    . ARG A 1 76  ? -16.058 16.924 12.479  1.00 8.21   ?  76   ARG A H    1 
ATOM   821  H  HA   . ARG A 1 76  ? -14.971 19.407 12.760  1.00 8.29   ?  76   ARG A HA   1 
ATOM   822  H  HB2  . ARG A 1 76  ? -16.778 18.515 10.761  1.00 9.12   ?  76   ARG A HB2  1 
ATOM   823  H  HB3  . ARG A 1 76  ? -16.042 19.915 10.710  1.00 9.17   ?  76   ARG A HB3  1 
ATOM   824  H  HG2  . ARG A 1 76  ? -13.946 18.592 10.697  1.00 9.68   ?  76   ARG A HG2  1 
ATOM   825  H  HG3  . ARG A 1 76  ? -14.878 17.370 10.289  1.00 9.74   ?  76   ARG A HG3  1 
ATOM   826  H  HD2  . ARG A 1 76  ? -15.656 18.702 8.432   1.00 10.59  ?  76   ARG A HD2  1 
ATOM   827  H  HD3  . ARG A 1 76  ? -14.518 19.753 8.789   1.00 10.56  ?  76   ARG A HD3  1 
ATOM   828  H  HE   . ARG A 1 76  ? -13.371 17.422 8.491   1.00 11.69  ?  76   ARG A HE   1 
ATOM   829  H  HH11 . ARG A 1 76  ? -14.813 19.662 6.528   1.00 13.56  ?  76   ARG A HH11 1 
ATOM   830  H  HH12 . ARG A 1 76  ? -13.987 19.331 5.291   1.00 13.55  ?  76   ARG A HH12 1 
ATOM   831  H  HH21 . ARG A 1 76  ? -12.566 17.514 5.320   1.00 14.52  ?  76   ARG A HH21 1 
ATOM   832  H  HH22 . ARG A 1 76  ? -12.366 16.729 6.611   1.00 14.54  ?  76   ARG A HH22 1 
ATOM   833  N  N    . LEU A 1 77  ? -18.149 19.145 13.278  1.00 7.44   ?  77   LEU A N    1 
ATOM   834  C  CA   . LEU A 1 77  ? -19.276 19.871 13.840  1.00 7.26   ?  77   LEU A CA   1 
ATOM   835  C  C    . LEU A 1 77  ? -19.046 20.138 15.327  1.00 7.57   ?  77   LEU A C    1 
ATOM   836  O  O    . LEU A 1 77  ? -19.337 21.215 15.794  1.00 7.42   ?  77   LEU A O    1 
ATOM   837  C  CB   . LEU A 1 77  ? -20.606 19.154 13.657  1.00 7.27   ?  77   LEU A CB   1 
ATOM   838  C  CG   . LEU A 1 77  ? -21.262 19.466 12.306  1.00 7.73   ?  77   LEU A CG   1 
ATOM   839  C  CD1  . LEU A 1 77  ? -20.463 19.040 11.098  1.00 9.08   ?  77   LEU A CD1  1 
ATOM   840  C  CD2  . LEU A 1 77  ? -22.656 18.834 12.315  1.00 8.32   ?  77   LEU A CD2  1 
ATOM   841  H  H    . LEU A 1 77  ? -18.258 18.278 13.008  1.00 7.41   ?  77   LEU A H    1 
ATOM   842  H  HA   . LEU A 1 77  ? -19.327 20.741 13.382  1.00 7.32   ?  77   LEU A HA   1 
ATOM   843  H  HB2  . LEU A 1 77  ? -20.463 18.189 13.730  1.00 7.37   ?  77   LEU A HB2  1 
ATOM   844  H  HB3  . LEU A 1 77  ? -21.213 19.424 14.374  1.00 7.27   ?  77   LEU A HB3  1 
ATOM   845  H  HG   . LEU A 1 77  ? -21.381 20.446 12.253  1.00 7.87   ?  77   LEU A HG   1 
ATOM   846  H  HD11 . LEU A 1 77  ? -20.924 19.323 10.288  1.00 8.79   ?  77   LEU A HD11 1 
ATOM   847  H  HD12 . LEU A 1 77  ? -20.369 18.071 11.095  1.00 8.76   ?  77   LEU A HD12 1 
ATOM   848  H  HD13 . LEU A 1 77  ? -19.581 19.451 11.127  1.00 8.69   ?  77   LEU A HD13 1 
ATOM   849  H  HD21 . LEU A 1 77  ? -23.182 19.215 13.040  1.00 8.15   ?  77   LEU A HD21 1 
ATOM   850  H  HD22 . LEU A 1 77  ? -22.576 17.872 12.444  1.00 8.20   ?  77   LEU A HD22 1 
ATOM   851  H  HD23 . LEU A 1 77  ? -23.099 19.011 11.466  1.00 8.22   ?  77   LEU A HD23 1 
ATOM   852  N  N    . SER A 1 78  ? -18.469 19.189 16.079  1.00 7.66   ?  78   SER A N    1 
ATOM   853  C  CA   . SER A 1 78  ? -18.201 19.439 17.496  1.00 7.72   ?  78   SER A CA   1 
ATOM   854  C  C    . SER A 1 78  ? -17.134 20.531 17.697  1.00 7.29   ?  78   SER A C    1 
ATOM   855  O  O    . SER A 1 78  ? -17.263 21.300 18.658  1.00 7.92   ?  78   SER A O    1 
ATOM   856  C  CB   . SER A 1 78  ? -17.882 18.194 18.322  1.00 8.58   ?  78   SER A CB   1 
ATOM   857  O  OG   . SER A 1 78  ? -16.644 17.665 17.922  1.00 9.58   ?  78   SER A OG   1 
ATOM   858  H  H    . SER A 1 78  ? -18.244 18.382 15.715  1.00 7.65   ?  78   SER A H    1 
ATOM   859  H  HA   . SER A 1 78  ? -19.042 19.809 17.869  1.00 7.76   ?  78   SER A HA   1 
ATOM   860  H  HB2  . SER A 1 78  ? -17.850 18.430 19.277  1.00 8.52   ?  78   SER A HB2  1 
ATOM   861  H  HB3  . SER A 1 78  ? -18.588 17.521 18.192  1.00 8.58   ?  78   SER A HB3  1 
ATOM   862  H  HG   . SER A 1 78  ? -16.039 18.013 18.398  0.00 10.03  ?  78   SER A HG   1 
ATOM   863  N  N    . ALA A 1 79  ? -16.128 20.618 16.801  1.00 7.78   ?  79   ALA A N    1 
ATOM   864  C  CA   . ALA A 1 79  ? -15.154 21.686 16.894  1.00 7.47   ?  79   ALA A CA   1 
ATOM   865  C  C    . ALA A 1 79  ? -15.902 23.013 16.803  1.00 7.60   ?  79   ALA A C    1 
ATOM   866  O  O    . ALA A 1 79  ? -15.615 23.957 17.513  1.00 7.91   ?  79   ALA A O    1 
ATOM   867  C  CB   . ALA A 1 79  ? -14.151 21.542 15.765  1.00 8.05   ?  79   ALA A CB   1 
ATOM   868  H  H    . ALA A 1 79  ? -16.053 19.999 16.133  1.00 7.57   ?  79   ALA A H    1 
ATOM   869  H  HA   . ALA A 1 79  ? -14.689 21.630 17.762  1.00 7.46   ?  79   ALA A HA   1 
ATOM   870  H  HB1  . ALA A 1 79  ? -13.488 22.250 15.827  1.00 7.88   ?  79   ALA A HB1  1 
ATOM   871  H  HB2  . ALA A 1 79  ? -13.708 20.679 15.831  1.00 7.91   ?  79   ALA A HB2  1 
ATOM   872  H  HB3  . ALA A 1 79  ? -14.611 21.604 14.911  1.00 8.06   ?  79   ALA A HB3  1 
ATOM   873  N  N    . HIS A 1 80  ? -16.859 23.127 15.886  1.00 7.09   ?  80   HIS A N    1 
ATOM   874  C  CA   . HIS A 1 80  ? -17.674 24.318 15.724  1.00 7.22   ?  80   HIS A CA   1 
ATOM   875  C  C    . HIS A 1 80  ? -18.589 24.560 16.926  1.00 6.82   ?  80   HIS A C    1 
ATOM   876  O  O    . HIS A 1 80  ? -18.717 25.697 17.396  1.00 7.34   ?  80   HIS A O    1 
ATOM   877  C  CB   . HIS A 1 80  ? -18.489 24.178 14.419  1.00 7.72   ?  80   HIS A CB   1 
ATOM   878  C  CG   . HIS A 1 80  ? -19.683 25.034 14.330  1.00 8.12   ?  80   HIS A CG   1 
ATOM   879  N  ND1  . HIS A 1 80  ? -19.601 26.395 14.095  1.00 8.78   ?  80   HIS A ND1  1 
ATOM   880  C  CD2  . HIS A 1 80  ? -20.982 24.756 14.506  1.00 8.77   ?  80   HIS A CD2  1 
ATOM   881  C  CE1  . HIS A 1 80  ? -20.831 26.899 14.111  1.00 10.06  ?  80   HIS A CE1  1 
ATOM   882  N  NE2  . HIS A 1 80  ? -21.664 25.931 14.319  1.00 10.02  ?  80   HIS A NE2  1 
ATOM   883  H  H    . HIS A 1 80  ? -17.007 22.423 15.323  1.00 7.20   ?  80   HIS A H    1 
ATOM   884  H  HA   . HIS A 1 80  ? -17.067 25.094 15.636  1.00 7.19   ?  80   HIS A HA   1 
ATOM   885  H  HB2  . HIS A 1 80  ? -17.899 24.381 13.662  1.00 7.64   ?  80   HIS A HB2  1 
ATOM   886  H  HB3  . HIS A 1 80  ? -18.768 23.242 14.323  1.00 7.66   ?  80   HIS A HB3  1 
ATOM   887  H  HD1  . HIS A 1 80  ? -18.860 26.851 13.982  0.00 8.45   ?  80   HIS A HD1  1 
ATOM   888  H  HD2  . HIS A 1 80  ? -21.363 23.916 14.671  1.00 8.80   ?  80   HIS A HD2  1 
ATOM   889  H  HE1  . HIS A 1 80  ? -21.058 27.800 13.953  1.00 9.70   ?  80   HIS A HE1  1 
ATOM   890  H  HE2  . HIS A 1 80  ? -22.544 26.006 14.371  0.00 9.94   ?  80   HIS A HE2  1 
ATOM   891  N  N    . TRP A 1 81  ? -19.238 23.520 17.460  1.00 6.95   ?  81   TRP A N    1 
ATOM   892  C  CA   . TRP A 1 81  ? -20.108 23.712 18.623  1.00 7.35   ?  81   TRP A CA   1 
ATOM   893  C  C    . TRP A 1 81  ? -19.334 24.349 19.765  1.00 7.47   ?  81   TRP A C    1 
ATOM   894  O  O    . TRP A 1 81  ? -19.837 25.214 20.487  1.00 7.50   ?  81   TRP A O    1 
ATOM   895  C  CB   . TRP A 1 81  ? -20.807 22.434 19.095  1.00 7.47   ?  81   TRP A CB   1 
ATOM   896  C  CG   . TRP A 1 81  ? -21.668 21.752 18.074  1.00 7.26   ?  81   TRP A CG   1 
ATOM   897  C  CD1  . TRP A 1 81  ? -22.355 22.286 17.016  1.00 6.91   ?  81   TRP A CD1  1 
ATOM   898  C  CD2  . TRP A 1 81  ? -21.828 20.332 18.001  1.00 7.14   ?  81   TRP A CD2  1 
ATOM   899  N  NE1  . TRP A 1 81  ? -22.919 21.274 16.310  1.00 6.76   ?  81   TRP A NE1  1 
ATOM   900  C  CE2  . TRP A 1 81  ? -22.601 20.063 16.861  1.00 6.70   ?  81   TRP A CE2  1 
ATOM   901  C  CE3  . TRP A 1 81  ? -21.342 19.248 18.741  1.00 7.39   ?  81   TRP A CE3  1 
ATOM   902  C  CZ2  . TRP A 1 81  ? -22.930 18.770 16.445  1.00 6.65   ?  81   TRP A CZ2  1 
ATOM   903  C  CZ3  . TRP A 1 81  ? -21.698 17.971 18.355  1.00 7.40   ?  81   TRP A CZ3  1 
ATOM   904  C  CH2  . TRP A 1 81  ? -22.460 17.731 17.209  1.00 7.03   ?  81   TRP A CH2  1 
ATOM   905  H  H    . TRP A 1 81  ? -19.145 22.684 17.101  1.00 6.97   ?  81   TRP A H    1 
ATOM   906  H  HA   . TRP A 1 81  ? -20.816 24.342 18.350  1.00 7.30   ?  81   TRP A HA   1 
ATOM   907  H  HB2  . TRP A 1 81  ? -20.118 21.806 19.395  1.00 7.40   ?  81   TRP A HB2  1 
ATOM   908  H  HB3  . TRP A 1 81  ? -21.358 22.659 19.872  1.00 7.41   ?  81   TRP A HB3  1 
ATOM   909  H  HD1  . TRP A 1 81  ? -22.435 23.205 16.811  1.00 6.91   ?  81   TRP A HD1  1 
ATOM   910  H  HE1  . TRP A 1 81  ? -23.407 21.384 15.591  1.00 6.77   ?  81   TRP A HE1  1 
ATOM   911  H  HE3  . TRP A 1 81  ? -20.787 19.389 19.492  1.00 7.25   ?  81   TRP A HE3  1 
ATOM   912  H  HZ2  . TRP A 1 81  ? -23.497 18.623 15.707  1.00 6.66   ?  81   TRP A HZ2  1 
ATOM   913  H  HZ3  . TRP A 1 81  ? -21.373 17.235 18.850  1.00 7.13   ?  81   TRP A HZ3  1 
ATOM   914  H  HH2  . TRP A 1 81  ? -22.704 16.850 16.990  1.00 6.94   ?  81   TRP A HH2  1 
ATOM   915  N  N    . LYS A 1 82  ? -18.102 23.873 19.959  1.00 7.33   ?  82   LYS A N    1 
ATOM   916  C  CA   . LYS A 1 82  ? -17.266 24.305 21.067  1.00 8.18   ?  82   LYS A CA   1 
ATOM   917  C  C    . LYS A 1 82  ? -16.712 25.704 20.854  1.00 7.99   ?  82   LYS A C    1 
ATOM   918  O  O    . LYS A 1 82  ? -16.627 26.447 21.807  1.00 10.80  ?  82   LYS A O    1 
ATOM   919  C  CB   . LYS A 1 82  ? -16.116 23.332 21.262  1.00 9.62   ?  82   LYS A CB   1 
ATOM   920  C  CG   . LYS A 1 82  ? -15.302 23.598 22.506  1.00 13.76  ?  82   LYS A CG   1 
ATOM   921  C  CD   . LYS A 1 82  ? -14.538 22.333 23.042  1.00 18.85  ?  82   LYS A CD   1 
ATOM   922  C  CE   . LYS A 1 82  ? -13.159 22.108 22.466  1.00 26.78  ?  82   LYS A CE   1 
ATOM   923  N  NZ   . LYS A 1 82  ? -12.428 21.040 23.205  1.00 27.11  1  82   LYS A NZ   1 
ATOM   924  H  H    . LYS A 1 82  ? -17.770 23.248 19.382  1.00 7.47   ?  82   LYS A H    1 
ATOM   925  H  HA   . LYS A 1 82  ? -17.816 24.308 21.884  1.00 8.01   ?  82   LYS A HA   1 
ATOM   926  H  HB2  . LYS A 1 82  ? -16.481 22.424 21.313  1.00 9.52   ?  82   LYS A HB2  1 
ATOM   927  H  HB3  . LYS A 1 82  ? -15.530 23.375 20.483  1.00 9.63   ?  82   LYS A HB3  1 
ATOM   928  H  HG2  . LYS A 1 82  ? -14.649 24.304 22.311  1.00 12.99  ?  82   LYS A HG2  1 
ATOM   929  H  HG3  . LYS A 1 82  ? -15.900 23.929 23.210  1.00 13.00  ?  82   LYS A HG3  1 
ATOM   930  H  HD2  . LYS A 1 82  ? -14.455 22.411 24.017  1.00 18.24  ?  82   LYS A HD2  1 
ATOM   931  H  HD3  . LYS A 1 82  ? -15.082 21.539 22.858  1.00 18.16  ?  82   LYS A HD3  1 
ATOM   932  H  HE2  . LYS A 1 82  ? -13.231 21.855 21.526  1.00 24.91  ?  82   LYS A HE2  1 
ATOM   933  H  HE3  . LYS A 1 82  ? -12.649 22.936 22.519  1.00 24.70  ?  82   LYS A HE3  1 
ATOM   934  H  HZ1  . LYS A 1 82  ? -12.887 20.259 23.149  1.00 26.88  ?  82   LYS A HZ1  1 
ATOM   935  H  HZ2  . LYS A 1 82  ? -12.343 21.273 24.077  1.00 27.18  ?  82   LYS A HZ2  1 
ATOM   936  H  HZ3  . LYS A 1 82  ? -11.603 20.927 22.846  1.00 27.15  ?  82   LYS A HZ3  1 
ATOM   937  N  N    . SER A 1 83  ? -16.290 26.062 19.642  1.00 7.31   ?  83   SER A N    1 
ATOM   938  C  CA   . SER A 1 83  ? -15.618 27.315 19.408  1.00 7.37   ?  83   SER A CA   1 
ATOM   939  C  C    . SER A 1 83  ? -16.564 28.487 19.183  1.00 7.19   ?  83   SER A C    1 
ATOM   940  O  O    . SER A 1 83  ? -16.190 29.626 19.418  1.00 7.71   ?  83   SER A O    1 
ATOM   941  C  CB   . SER A 1 83  ? -14.619 27.200 18.278  1.00 8.32   ?  83   SER A CB   1 
ATOM   942  O  OG   . SER A 1 83  ? -15.275 26.931 17.091  1.00 8.63   ?  83   SER A OG   1 
ATOM   943  H  H    . SER A 1 83  ? -16.426 25.498 18.936  1.00 7.46   ?  83   SER A H    1 
ATOM   944  H  HA   . SER A 1 83  ? -15.099 27.520 20.232  1.00 7.30   ?  83   SER A HA   1 
ATOM   945  H  HB2  . SER A 1 83  ? -14.123 28.042 18.194  1.00 8.12   ?  83   SER A HB2  1 
ATOM   946  H  HB3  . SER A 1 83  ? -13.978 26.483 18.473  1.00 8.22   ?  83   SER A HB3  1 
ATOM   947  H  HG   . SER A 1 83  ? -15.466 27.666 16.713  0.00 8.93   ?  83   SER A HG   1 
ATOM   948  N  N    . PHE A 1 84  ? -17.761 28.222 18.670  1.00 6.79   ?  84   PHE A N    1 
ATOM   949  C  CA   . PHE A 1 84  ? -18.635 29.272 18.173  1.00 6.75   ?  84   PHE A CA   1 
ATOM   950  C  C    . PHE A 1 84  ? -19.258 30.090 19.297  1.00 6.67   ?  84   PHE A C    1 
ATOM   951  O  O    . PHE A 1 84  ? -19.629 31.227 19.070  1.00 7.14   ?  84   PHE A O    1 
ATOM   952  C  CB   . PHE A 1 84  ? -19.712 28.683 17.285  1.00 6.78   ?  84   PHE A CB   1 
ATOM   953  C  CG   . PHE A 1 84  ? -20.424 29.614 16.342  1.00 7.14   ?  84   PHE A CG   1 
ATOM   954  C  CD1  . PHE A 1 84  ? -19.732 30.279 15.352  1.00 7.35   ?  84   PHE A CD1  1 
ATOM   955  C  CD2  . PHE A 1 84  ? -21.782 29.769 16.403  1.00 7.53   ?  84   PHE A CD2  1 
ATOM   956  C  CE1  . PHE A 1 84  ? -20.395 31.055 14.407  1.00 7.46   ?  84   PHE A CE1  1 
ATOM   957  C  CE2  . PHE A 1 84  ? -22.455 30.554 15.480  1.00 7.36   ?  84   PHE A CE2  1 
ATOM   958  C  CZ   . PHE A 1 84  ? -21.757 31.178 14.483  1.00 7.54   ?  84   PHE A CZ   1 
ATOM   959  H  H    . PHE A 1 84  ? -18.050 27.356 18.629  1.00 6.81   ?  84   PHE A H    1 
ATOM   960  H  HA   . PHE A 1 84  ? -18.088 29.887 17.621  1.00 6.78   ?  84   PHE A HA   1 
ATOM   961  H  HB2  . PHE A 1 84  ? -19.302 27.972 16.752  1.00 6.84   ?  84   PHE A HB2  1 
ATOM   962  H  HB3  . PHE A 1 84  ? -20.381 28.261 17.864  1.00 6.83   ?  84   PHE A HB3  1 
ATOM   963  H  HD1  . PHE A 1 84  ? -18.800 30.152 15.277  1.00 7.32   ?  84   PHE A HD1  1 
ATOM   964  H  HD2  . PHE A 1 84  ? -22.272 29.305 17.062  1.00 7.32   ?  84   PHE A HD2  1 
ATOM   965  H  HE1  . PHE A 1 84  ? -19.910 31.510 13.738  1.00 7.51   ?  84   PHE A HE1  1 
ATOM   966  H  HE2  . PHE A 1 84  ? -23.392 30.653 15.537  1.00 7.36   ?  84   PHE A HE2  1 
ATOM   967  H  HZ   . PHE A 1 84  ? -22.209 31.749 13.883  1.00 7.43   ?  84   PHE A HZ   1 
ATOM   968  N  N    . VAL A 1 85  ? -19.419 29.483 20.486  1.00 6.78   ?  85   VAL A N    1 
ATOM   969  C  CA   . VAL A 1 85  ? -20.146 30.114 21.581  1.00 6.98   ?  85   VAL A CA   1 
ATOM   970  C  C    . VAL A 1 85  ? -19.431 29.782 22.897  1.00 6.57   ?  85   VAL A C    1 
ATOM   971  O  O    . VAL A 1 85  ? -19.112 28.634 23.163  1.00 7.14   ?  85   VAL A O    1 
ATOM   972  C  CB   . VAL A 1 85  ? -21.611 29.622 21.635  1.00 7.74   ?  85   VAL A CB   1 
ATOM   973  C  CG1  . VAL A 1 85  ? -22.334 30.176 22.857  1.00 8.77   ?  85   VAL A CG1  1 
ATOM   974  C  CG2  . VAL A 1 85  ? -22.362 29.977 20.369  1.00 7.72   ?  85   VAL A CG2  1 
ATOM   975  H  H    . VAL A 1 85  ? -19.072 28.648 20.615  1.00 6.77   ?  85   VAL A H    1 
ATOM   976  H  HA   . VAL A 1 85  ? -20.141 31.075 21.450  1.00 6.93   ?  85   VAL A HA   1 
ATOM   977  H  HB   . VAL A 1 85  ? -21.593 28.637 21.713  1.00 7.70   ?  85   VAL A HB   1 
ATOM   978  H  HG11 . VAL A 1 85  ? -22.194 31.138 22.909  1.00 8.53   ?  85   VAL A HG11 1 
ATOM   979  H  HG12 . VAL A 1 85  ? -21.987 29.754 23.662  1.00 8.62   ?  85   VAL A HG12 1 
ATOM   980  H  HG13 . VAL A 1 85  ? -23.287 29.992 22.782  1.00 8.47   ?  85   VAL A HG13 1 
ATOM   981  H  HG21 . VAL A 1 85  ? -23.307 29.778 20.484  1.00 7.72   ?  85   VAL A HG21 1 
ATOM   982  H  HG22 . VAL A 1 85  ? -22.011 29.456 19.626  1.00 7.70   ?  85   VAL A HG22 1 
ATOM   983  H  HG23 . VAL A 1 85  ? -22.252 30.925 20.181  1.00 7.72   ?  85   VAL A HG23 1 
ATOM   984  N  N    . SER A 1 86  ? -19.209 30.824 23.703  1.00 6.33   ?  86   SER A N    1 
ATOM   985  C  CA   . SER A 1 86  ? -18.689 30.699 25.056  1.00 6.83   ?  86   SER A CA   1 
ATOM   986  C  C    . SER A 1 86  ? -19.575 31.486 25.986  1.00 7.57   ?  86   SER A C    1 
ATOM   987  O  O    . SER A 1 86  ? -20.477 32.206 25.618  1.00 7.37   ?  86   SER A O    1 
ATOM   988  C  CB   . SER A 1 86  ? -17.298 31.218 25.147  1.00 6.90   ?  86   SER A CB   1 
ATOM   989  O  OG   . SER A 1 86  ? -17.309 32.642 25.063  1.00 7.36   ?  86   SER A OG   1 
ATOM   990  H  H    . SER A 1 86  ? -19.390 31.663 23.389  1.00 6.48   ?  86   SER A H    1 
ATOM   991  H  HA   . SER A 1 86  ? -18.703 29.742 25.326  1.00 6.82   ?  86   SER A HA   1 
ATOM   992  H  HB2  . SER A 1 86  ? -16.893 30.937 25.998  1.00 6.98   ?  86   SER A HB2  1 
ATOM   993  H  HB3  . SER A 1 86  ? -16.760 30.849 24.412  1.00 6.96   ?  86   SER A HB3  1 
ATOM   994  H  HG   . SER A 1 86  ? -17.376 32.958 25.846  0.00 7.54   ?  86   SER A HG   1 
ATOM   995  N  N    . ALA A 1 87  ? -19.257 31.368 27.285  1.00 8.08   ?  87   ALA A N    1 
ATOM   996  C  CA   . ALA A 1 87  ? -19.957 32.184 28.277  1.00 8.63   ?  87   ALA A CA   1 
ATOM   997  C  C    . ALA A 1 87  ? -19.810 33.672 27.977  1.00 8.38   ?  87   ALA A C    1 
ATOM   998  O  O    . ALA A 1 87  ? -20.720 34.472 28.208  1.00 9.60   ?  87   ALA A O    1 
ATOM   999  C  CB   . ALA A 1 87  ? -19.454 31.894 29.679  1.00 9.68   ?  87   ALA A CB   1 
ATOM   1000 H  H    . ALA A 1 87  ? -18.614 30.778 27.558  1.00 8.03   ?  87   ALA A H    1 
ATOM   1001 H  HA   . ALA A 1 87  ? -20.916 31.957 28.237  1.00 8.67   ?  87   ALA A HA   1 
ATOM   1002 H  HB1  . ALA A 1 87  ? -19.986 32.389 30.325  1.00 9.40   ?  87   ALA A HB1  1 
ATOM   1003 H  HB2  . ALA A 1 87  ? -19.530 30.942 29.862  1.00 9.43   ?  87   ALA A HB2  1 
ATOM   1004 H  HB3  . ALA A 1 87  ? -18.523 32.163 29.753  1.00 9.38   ?  87   ALA A HB3  1 
ATOM   1005 N  N    . GLY A 1 88  ? -18.687 34.050 27.407  1.00 8.47   ?  88   GLY A N    1 
ATOM   1006 C  CA   . GLY A 1 88  ? -18.447 35.445 27.087  1.00 8.62   ?  88   GLY A CA   1 
ATOM   1007 C  C    . GLY A 1 88  ? -19.399 36.005 26.044  1.00 7.37   ?  88   GLY A C    1 
ATOM   1008 O  O    . GLY A 1 88  ? -19.743 37.182 26.086  1.00 8.67   ?  88   GLY A O    1 
ATOM   1009 H  H    . GLY A 1 88  ? -18.036 33.435 27.223  1.00 8.41   ?  88   GLY A H    1 
ATOM   1010 H  HA2  . GLY A 1 88  ? -18.527 35.979 27.917  1.00 8.38   ?  88   GLY A HA2  1 
ATOM   1011 H  HA3  . GLY A 1 88  ? -17.518 35.539 26.759  1.00 8.31   ?  88   GLY A HA3  1 
ATOM   1012 N  N    . ASP A 1 89  ? -19.872 35.152 25.123  1.00 7.05   ?  89   ASP A N    1 
ATOM   1013 C  CA   . ASP A 1 89  ? -20.915 35.588 24.212  1.00 6.89   ?  89   ASP A CA   1 
ATOM   1014 C  C    . ASP A 1 89  ? -22.166 36.025 24.956  1.00 7.12   ?  89   ASP A C    1 
ATOM   1015 O  O    . ASP A 1 89  ? -22.750 37.068 24.649  1.00 7.48   ?  89   ASP A O    1 
ATOM   1016 C  CB   . ASP A 1 89  ? -21.263 34.489 23.208  1.00 6.79   ?  89   ASP A CB   1 
ATOM   1017 C  CG   . ASP A 1 89  ? -20.174 34.213 22.197  1.00 6.86   ?  89   ASP A CG   1 
ATOM   1018 O  OD1  . ASP A 1 89  ? -20.000 35.095 21.305  1.00 6.81   ?  89   ASP A OD1  1 
ATOM   1019 O  OD2  . ASP A 1 89  ? -19.517 33.173 22.267  1.00 7.05   -1 89   ASP A OD2  1 
ATOM   1020 H  H    . ASP A 1 89  ? -19.541 34.303 25.058  1.00 7.07   ?  89   ASP A H    1 
ATOM   1021 H  HA   . ASP A 1 89  ? -20.572 36.362 23.705  1.00 6.90   ?  89   ASP A HA   1 
ATOM   1022 H  HB2  . ASP A 1 89  ? -21.450 33.660 23.693  1.00 6.84   ?  89   ASP A HB2  1 
ATOM   1023 H  HB3  . ASP A 1 89  ? -22.073 34.746 22.722  1.00 6.78   ?  89   ASP A HB3  1 
ATOM   1024 N  N    . PHE A 1 90  ? -22.610 35.191 25.926  1.00 7.42   ?  90   PHE A N    1 
ATOM   1025 C  CA   . PHE A 1 90  ? -23.774 35.503 26.712  1.00 7.35   ?  90   PHE A CA   1 
ATOM   1026 C  C    . PHE A 1 90  ? -23.593 36.775 27.516  1.00 7.45   ?  90   PHE A C    1 
ATOM   1027 O  O    . PHE A 1 90  ? -24.514 37.581 27.643  1.00 7.82   ?  90   PHE A O    1 
ATOM   1028 C  CB   . PHE A 1 90  ? -24.142 34.310 27.580  1.00 7.66   ?  90   PHE A CB   1 
ATOM   1029 C  CG   . PHE A 1 90  ? -24.693 33.163 26.789  1.00 7.63   ?  90   PHE A CG   1 
ATOM   1030 C  CD1  . PHE A 1 90  ? -26.049 33.120 26.545  1.00 9.38   ?  90   PHE A CD1  1 
ATOM   1031 C  CD2  . PHE A 1 90  ? -23.868 32.201 26.253  1.00 8.28   ?  90   PHE A CD2  1 
ATOM   1032 C  CE1  . PHE A 1 90  ? -26.567 32.094 25.787  1.00 9.56   ?  90   PHE A CE1  1 
ATOM   1033 C  CE2  . PHE A 1 90  ? -24.406 31.168 25.494  1.00 8.96   ?  90   PHE A CE2  1 
ATOM   1034 C  CZ   . PHE A 1 90  ? -25.751 31.163 25.211  1.00 9.61   ?  90   PHE A CZ   1 
ATOM   1035 H  H    . PHE A 1 90  ? -22.160 34.413 26.090  1.00 7.32   ?  90   PHE A H    1 
ATOM   1036 H  HA   . PHE A 1 90  ? -24.524 35.658 26.084  1.00 7.47   ?  90   PHE A HA   1 
ATOM   1037 H  HB2  . PHE A 1 90  ? -23.343 34.014 28.064  1.00 7.54   ?  90   PHE A HB2  1 
ATOM   1038 H  HB3  . PHE A 1 90  ? -24.808 34.595 28.241  1.00 7.55   ?  90   PHE A HB3  1 
ATOM   1039 H  HD1  . PHE A 1 90  ? -26.616 33.789 26.894  1.00 8.89   ?  90   PHE A HD1  1 
ATOM   1040 H  HD2  . PHE A 1 90  ? -22.939 32.238 26.410  1.00 8.09   ?  90   PHE A HD2  1 
ATOM   1041 H  HE1  . PHE A 1 90  ? -27.494 32.070 25.612  1.00 9.28   ?  90   PHE A HE1  1 
ATOM   1042 H  HE2  . PHE A 1 90  ? -23.841 30.513 25.119  1.00 8.64   ?  90   PHE A HE2  1 
ATOM   1043 H  HZ   . PHE A 1 90  ? -26.126 30.444 24.728  1.00 9.18   ?  90   PHE A HZ   1 
ATOM   1044 N  N    . GLN A 1 91  ? -22.405 36.959 28.095  1.00 8.09   ?  91   GLN A N    1 
ATOM   1045 C  CA   . GLN A 1 91  ? -22.172 38.180 28.863  1.00 9.05   ?  91   GLN A CA   1 
ATOM   1046 C  C    . GLN A 1 91  ? -22.286 39.395 27.928  1.00 8.27   ?  91   GLN A C    1 
ATOM   1047 O  O    . GLN A 1 91  ? -22.830 40.423 28.326  1.00 8.18   ?  91   GLN A O    1 
ATOM   1048 C  CB   . GLN A 1 91  ? -20.823 38.144 29.578  1.00 11.10  ?  91   GLN A CB   1 
ATOM   1049 C  CG   . GLN A 1 91  ? -20.750 39.291 30.551  1.00 14.98  ?  91   GLN A CG   1 
ATOM   1050 C  CD   . GLN A 1 91  ? -21.852 39.341 31.598  1.00 18.96  ?  91   GLN A CD   1 
ATOM   1051 O  OE1  . GLN A 1 91  ? -22.162 38.346 32.258  1.00 24.24  ?  91   GLN A OE1  1 
ATOM   1052 N  NE2  . GLN A 1 91  ? -22.523 40.490 31.690  1.00 22.62  ?  91   GLN A NE2  1 
ATOM   1053 H  H    . GLN A 1 91  ? -21.743 36.334 28.024  1.00 8.02   ?  91   GLN A H    1 
ATOM   1054 H  HA   . GLN A 1 91  ? -22.882 38.247 29.541  1.00 8.88   ?  91   GLN A HA   1 
ATOM   1055 H  HB2  . GLN A 1 91  ? -20.729 37.294 30.055  1.00 11.03  ?  91   GLN A HB2  1 
ATOM   1056 H  HB3  . GLN A 1 91  ? -20.102 38.217 28.919  1.00 10.95  ?  91   GLN A HB3  1 
ATOM   1057 H  HG2  . GLN A 1 91  ? -19.887 39.248 31.015  1.00 14.23  ?  91   GLN A HG2  1 
ATOM   1058 H  HG3  . GLN A 1 91  ? -20.763 40.131 30.044  1.00 14.28  ?  91   GLN A HG3  1 
ATOM   1059 H  HE21 . GLN A 1 91  ? -22.247 41.202 31.246  1.00 21.44  ?  91   GLN A HE21 1 
ATOM   1060 H  HE22 . GLN A 1 91  ? -23.244 40.540 32.199  1.00 21.54  ?  91   GLN A HE22 1 
ATOM   1061 N  N    . ARG A 1 92  ? -21.730 39.309 26.706  1.00 7.82   ?  92   ARG A N    1 
ATOM   1062 C  CA   . ARG A 1 92  ? -21.808 40.438 25.763  1.00 7.81   ?  92   ARG A CA   1 
ATOM   1063 C  C    . ARG A 1 92  ? -23.268 40.703 25.411  1.00 7.30   ?  92   ARG A C    1 
ATOM   1064 O  O    . ARG A 1 92  ? -23.673 41.843 25.223  1.00 8.76   ?  92   ARG A O    1 
ATOM   1065 C  CB   . ARG A 1 92  ? -20.956 40.231 24.517  1.00 9.04   ?  92   ARG A CB   1 
ATOM   1066 C  CG   . ARG A 1 92  ? -19.473 40.272 24.827  1.00 10.71  ?  92   ARG A CG   1 
ATOM   1067 C  CD   . ARG A 1 92  ? -18.558 39.949 23.660  1.00 13.11  ?  92   ARG A CD   1 
ATOM   1068 N  NE   . ARG A 1 92  ? -17.162 39.718 24.152  1.00 17.18  ?  92   ARG A NE   1 
ATOM   1069 C  CZ   . ARG A 1 92  ? -16.422 40.732 24.422  1.00 12.90  ?  92   ARG A CZ   1 
ATOM   1070 N  NH1  . ARG A 1 92  ? -16.971 41.891 24.168  1.00 15.69  1  92   ARG A NH1  1 
ATOM   1071 N  NH2  . ARG A 1 92  ? -15.227 40.678 24.990  1.00 13.00  ?  92   ARG A NH2  1 
ATOM   1072 H  H    . ARG A 1 92  ? -21.293 38.547 26.453  1.00 7.85   ?  92   ARG A H    1 
ATOM   1073 H  HA   . ARG A 1 92  ? -21.465 41.234 26.231  1.00 7.75   ?  92   ARG A HA   1 
ATOM   1074 H  HB2  . ARG A 1 92  ? -21.179 39.364 24.118  1.00 8.92   ?  92   ARG A HB2  1 
ATOM   1075 H  HB3  . ARG A 1 92  ? -21.168 40.932 23.866  1.00 8.94   ?  92   ARG A HB3  1 
ATOM   1076 H  HG2  . ARG A 1 92  ? -19.252 41.165 25.160  1.00 10.77  ?  92   ARG A HG2  1 
ATOM   1077 H  HG3  . ARG A 1 92  ? -19.286 39.638 25.551  1.00 10.64  ?  92   ARG A HG3  1 
ATOM   1078 H  HD2  . ARG A 1 92  ? -18.882 39.140 23.209  1.00 13.00  ?  92   ARG A HD2  1 
ATOM   1079 H  HD3  . ARG A 1 92  ? -18.571 40.684 23.011  1.00 12.99  ?  92   ARG A HD3  1 
ATOM   1080 H  HE   . ARG A 1 92  ? -16.854 38.909 24.254  1.00 15.30  ?  92   ARG A HE   1 
ATOM   1081 H  HH11 . ARG A 1 92  ? -17.798 42.072 24.456  1.00 14.39  ?  92   ARG A HH11 1 
ATOM   1082 H  HH12 . ARG A 1 92  ? -16.497 42.501 23.710  1.00 14.77  ?  92   ARG A HH12 1 
ATOM   1083 H  HH21 . ARG A 1 92  ? -14.570 41.173 24.673  1.00 12.89  ?  92   ARG A HH21 1 
ATOM   1084 H  HH22 . ARG A 1 92  ? -15.092 40.136 25.676  1.00 12.59  ?  92   ARG A HH22 1 
ATOM   1085 N  N    . MET A 1 93  ? -24.087 39.654 25.315  1.00 7.11   ?  93   MET A N    1 
ATOM   1086 C  CA   . MET A 1 93  ? -25.495 39.842 25.036  1.00 7.07   ?  93   MET A CA   1 
ATOM   1087 C  C    . MET A 1 93  ? -26.167 40.623 26.170  1.00 7.26   ?  93   MET A C    1 
ATOM   1088 O  O    . MET A 1 93  ? -26.958 41.532 25.929  1.00 7.45   ?  93   MET A O    1 
ATOM   1089 C  CB   . MET A 1 93  ? -26.168 38.475 24.890  1.00 6.90   ?  93   MET A CB   1 
ATOM   1090 C  CG   . MET A 1 93  ? -25.769 37.716 23.641  1.00 7.77   ?  93   MET A CG   1 
ATOM   1091 S  SD   . MET A 1 93  ? -26.400 36.029 23.751  1.00 8.02   ?  93   MET A SD   1 
ATOM   1092 C  CE   . MET A 1 93  ? -25.500 35.285 22.386  1.00 8.27   ?  93   MET A CE   1 
ATOM   1093 H  H    . MET A 1 93  ? -23.761 38.806 25.416  1.00 7.17   ?  93   MET A H    1 
ATOM   1094 H  HA   . MET A 1 93  ? -25.586 40.350 24.197  1.00 7.02   ?  93   MET A HA   1 
ATOM   1095 H  HB2  . MET A 1 93  ? -25.949 37.934 25.672  1.00 7.10   ?  93   MET A HB2  1 
ATOM   1096 H  HB3  . MET A 1 93  ? -27.137 38.604 24.884  1.00 7.04   ?  93   MET A HB3  1 
ATOM   1097 H  HG2  . MET A 1 93  ? -26.144 38.156 22.849  1.00 7.57   ?  93   MET A HG2  1 
ATOM   1098 H  HG3  . MET A 1 93  ? -24.792 37.698 23.556  1.00 7.61   ?  93   MET A HG3  1 
ATOM   1099 H  HE1  . MET A 1 93  ? -25.731 35.737 21.565  1.00 8.25   ?  93   MET A HE1  1 
ATOM   1100 H  HE2  . MET A 1 93  ? -24.552 35.366 22.544  1.00 8.15   ?  93   MET A HE2  1 
ATOM   1101 H  HE3  . MET A 1 93  ? -25.737 34.352 22.317  1.00 8.11   ?  93   MET A HE3  1 
ATOM   1102 N  N    . ALA A 1 94  ? -25.898 40.217 27.405  1.00 7.52   ?  94   ALA A N    1 
ATOM   1103 C  CA   . ALA A 1 94  ? -26.477 40.937 28.525  1.00 8.56   ?  94   ALA A CA   1 
ATOM   1104 C  C    . ALA A 1 94  ? -25.988 42.384 28.586  1.00 8.48   ?  94   ALA A C    1 
ATOM   1105 O  O    . ALA A 1 94  ? -26.778 43.289 28.852  1.00 9.49   ?  94   ALA A O    1 
ATOM   1106 C  CB   . ALA A 1 94  ? -26.154 40.203 29.802  1.00 9.72   ?  94   ALA A CB   1 
ATOM   1107 H  H    . ALA A 1 94  ? -25.361 39.493 27.557  1.00 7.56   ?  94   ALA A H    1 
ATOM   1108 H  HA   . ALA A 1 94  ? -27.456 40.948 28.412  1.00 8.46   ?  94   ALA A HA   1 
ATOM   1109 H  HB1  . ALA A 1 94  ? -26.543 40.677 30.556  1.00 9.35   ?  94   ALA A HB1  1 
ATOM   1110 H  HB2  . ALA A 1 94  ? -26.520 39.304 29.761  1.00 9.42   ?  94   ALA A HB2  1 
ATOM   1111 H  HB3  . ALA A 1 94  ? -25.190 40.154 29.914  1.00 9.42   ?  94   ALA A HB3  1 
ATOM   1112 N  N    . ASP A 1 95  ? -24.702 42.615 28.310  1.00 8.27   ?  95   ASP A N    1 
ATOM   1113 C  CA   . ASP A 1 95  ? -24.177 43.962 28.314  1.00 10.09  ?  95   ASP A CA   1 
ATOM   1114 C  C    . ASP A 1 95  ? -24.851 44.839 27.260  1.00 10.72  ?  95   ASP A C    1 
ATOM   1115 O  O    . ASP A 1 95  ? -24.868 46.054 27.404  1.00 12.96  ?  95   ASP A O    1 
ATOM   1116 C  CB   . ASP A 1 95  ? -22.670 43.869 28.110  1.00 12.16  ?  95   ASP A CB   1 
ATOM   1117 C  CG   . ASP A 1 95  ? -21.902 43.299 29.304  1.00 14.00  ?  95   ASP A CG   1 
ATOM   1118 O  OD1  . ASP A 1 95  ? -22.499 43.100 30.340  1.00 18.15  ?  95   ASP A OD1  1 
ATOM   1119 O  OD2  . ASP A 1 95  ? -20.733 42.942 29.122  1.00 22.44  -1 95   ASP A OD2  1 
ATOM   1120 H  H    . ASP A 1 95  ? -24.143 41.917 28.121  1.00 8.61   ?  95   ASP A H    1 
ATOM   1121 H  HA   . ASP A 1 95  ? -24.346 44.356 29.202  1.00 10.13  ?  95   ASP A HA   1 
ATOM   1122 H  HB2  . ASP A 1 95  ? -22.489 43.305 27.330  1.00 11.90  ?  95   ASP A HB2  1 
ATOM   1123 H  HB3  . ASP A 1 95  ? -22.321 44.765 27.924  1.00 11.90  ?  95   ASP A HB3  1 
ATOM   1124 N  N    . ALA A 1 96  ? -25.347 44.215 26.179  1.00 9.72   ?  96   ALA A N    1 
ATOM   1125 C  CA   . ALA A 1 96  ? -26.036 44.896 25.092  1.00 10.50  ?  96   ALA A CA   1 
ATOM   1126 C  C    . ALA A 1 96  ? -27.508 45.175 25.374  1.00 9.11   ?  96   ALA A C    1 
ATOM   1127 O  O    . ALA A 1 96  ? -28.243 45.653 24.498  1.00 10.77  ?  96   ALA A O    1 
ATOM   1128 C  CB   . ALA A 1 96  ? -25.882 44.053 23.833  1.00 11.34  ?  96   ALA A CB   1 
ATOM   1129 H  H    . ALA A 1 96  ? -25.232 43.312 26.110  1.00 10.00  ?  96   ALA A H    1 
ATOM   1130 H  HA   . ALA A 1 96  ? -25.587 45.760 24.940  1.00 10.17  ?  96   ALA A HA   1 
ATOM   1131 H  HB1  . ALA A 1 96  ? -26.298 44.509 23.082  1.00 11.08  ?  96   ALA A HB1  1 
ATOM   1132 H  HB2  . ALA A 1 96  ? -24.937 43.918 23.645  1.00 11.09  ?  96   ALA A HB2  1 
ATOM   1133 H  HB3  . ALA A 1 96  ? -26.310 43.191 23.964  1.00 11.12  ?  96   ALA A HB3  1 
ATOM   1134 N  N    . GLY A 1 97  ? -27.973 44.895 26.585  1.00 8.92   ?  97   GLY A N    1 
ATOM   1135 C  CA   . GLY A 1 97  ? -29.328 45.224 26.980  1.00 8.60   ?  97   GLY A CA   1 
ATOM   1136 C  C    . GLY A 1 97  ? -30.333 44.136 26.661  1.00 8.11   ?  97   GLY A C    1 
ATOM   1137 O  O    . GLY A 1 97  ? -31.523 44.370 26.779  1.00 9.50   ?  97   GLY A O    1 
ATOM   1138 H  H    . GLY A 1 97  ? -27.434 44.472 27.190  1.00 8.91   ?  97   GLY A H    1 
ATOM   1139 H  HA2  . GLY A 1 97  ? -29.340 45.396 27.955  1.00 8.53   ?  97   GLY A HA2  1 
ATOM   1140 H  HA3  . GLY A 1 97  ? -29.601 46.061 26.526  1.00 8.60   ?  97   GLY A HA3  1 
ATOM   1141 N  N    . LEU A 1 98  ? -29.865 42.938 26.307  1.00 7.40   ?  98   LEU A N    1 
ATOM   1142 C  CA   . LEU A 1 98  ? -30.775 41.854 25.982  1.00 7.33   ?  98   LEU A CA   1 
ATOM   1143 C  C    . LEU A 1 98  ? -31.261 41.148 27.237  1.00 7.77   ?  98   LEU A C    1 
ATOM   1144 O  O    . LEU A 1 98  ? -30.602 41.150 28.290  1.00 8.21   ?  98   LEU A O    1 
ATOM   1145 C  CB   . LEU A 1 98  ? -30.114 40.850 25.036  1.00 7.11   ?  98   LEU A CB   1 
ATOM   1146 C  CG   . LEU A 1 98  ? -29.542 41.463 23.767  1.00 7.30   ?  98   LEU A CG   1 
ATOM   1147 C  CD1  . LEU A 1 98  ? -28.979 40.391 22.892  1.00 7.82   ?  98   LEU A CD1  1 
ATOM   1148 C  CD2  . LEU A 1 98  ? -30.573 42.272 22.999  1.00 7.74   ?  98   LEU A CD2  1 
ATOM   1149 H  H    . LEU A 1 98  ? -28.964 42.788 26.274  1.00 7.44   ?  98   LEU A H    1 
ATOM   1150 H  HA   . LEU A 1 98  ? -31.559 42.244 25.530  1.00 7.34   ?  98   LEU A HA   1 
ATOM   1151 H  HB2  . LEU A 1 98  ? -29.394 40.397 25.517  1.00 7.19   ?  98   LEU A HB2  1 
ATOM   1152 H  HB3  . LEU A 1 98  ? -30.776 40.175 24.786  1.00 7.20   ?  98   LEU A HB3  1 
ATOM   1153 H  HG   . LEU A 1 98  ? -28.804 42.069 24.023  1.00 7.34   ?  98   LEU A HG   1 
ATOM   1154 H  HD11 . LEU A 1 98  ? -28.398 40.791 22.223  1.00 7.65   ?  98   LEU A HD11 1 
ATOM   1155 H  HD12 . LEU A 1 98  ? -29.705 39.919 22.448  1.00 7.69   ?  98   LEU A HD12 1 
ATOM   1156 H  HD13 . LEU A 1 98  ? -28.468 39.765 23.431  1.00 7.62   ?  98   LEU A HD13 1 
ATOM   1157 H  HD21 . LEU A 1 98  ? -30.785 43.084 23.493  1.00 7.62   ?  98   LEU A HD21 1 
ATOM   1158 H  HD22 . LEU A 1 98  ? -31.381 41.743 22.883  1.00 7.63   ?  98   LEU A HD22 1 
ATOM   1159 H  HD23 . LEU A 1 98  ? -30.214 42.511 22.126  1.00 7.58   ?  98   LEU A HD23 1 
ATOM   1160 N  N    . ASN A 1 99  ? -32.434 40.510 27.087  1.00 7.91   ?  99   ASN A N    1 
ATOM   1161 C  CA   . ASN A 1 99  ? -32.982 39.663 28.130  1.00 7.73   ?  99   ASN A CA   1 
ATOM   1162 C  C    . ASN A 1 99  ? -33.255 38.232 27.687  1.00 7.34   ?  99   ASN A C    1 
ATOM   1163 O  O    . ASN A 1 99  ? -33.664 37.408 28.494  1.00 7.74   ?  99   ASN A O    1 
ATOM   1164 C  CB   . ASN A 1 99  ? -34.192 40.317 28.783  1.00 8.05   ?  99   ASN A CB   1 
ATOM   1165 C  CG   . ASN A 1 99  ? -35.317 40.637 27.838  1.00 8.04   ?  99   ASN A CG   1 
ATOM   1166 O  OD1  . ASN A 1 99  ? -35.640 39.859 26.946  1.00 7.83   ?  99   ASN A OD1  1 
ATOM   1167 N  ND2  . ASN A 1 99  ? -35.914 41.793 27.979  1.00 10.58  ?  99   ASN A ND2  1 
ATOM   1168 H  H    . ASN A 1 99  ? -32.910 40.621 26.315  1.00 7.83   ?  99   ASN A H    1 
ATOM   1169 H  HA   . ASN A 1 99  ? -32.296 39.608 28.836  1.00 7.72   ?  99   ASN A HA   1 
ATOM   1170 H  HB2  . ASN A 1 99  ? -34.530 39.720 29.481  1.00 8.03   ?  99   ASN A HB2  1 
ATOM   1171 H  HB3  . ASN A 1 99  ? -33.900 41.145 29.217  1.00 8.02   ?  99   ASN A HB3  1 
ATOM   1172 H  HD21 . ASN A 1 99  ? -35.723 42.311 28.669  1.00 9.69   ?  99   ASN A HD21 1 
ATOM   1173 H  HD22 . ASN A 1 99  ? -36.512 42.057 27.383  1.00 9.62   ?  99   ASN A HD22 1 
ATOM   1174 N  N    . HIS A 1 100 ? -33.109 37.921 26.386  1.00 7.05   ?  100  HIS A N    1 
ATOM   1175 C  CA   . HIS A 1 100 ? -33.455 36.617 25.835  1.00 6.76   ?  100  HIS A CA   1 
ATOM   1176 C  C    . HIS A 1 100 ? -32.393 36.188 24.825  1.00 6.64   ?  100  HIS A C    1 
ATOM   1177 O  O    . HIS A 1 100 ? -31.845 37.022 24.086  1.00 6.70   ?  100  HIS A O    1 
ATOM   1178 C  CB   . HIS A 1 100 ? -34.797 36.697 25.085  1.00 7.20   ?  100  HIS A CB   1 
ATOM   1179 C  CG   . HIS A 1 100 ? -35.990 36.364 25.893  1.00 7.70   ?  100  HIS A CG   1 
ATOM   1180 N  ND1  . HIS A 1 100 ? -36.525 37.205 26.854  1.00 8.09   ?  100  HIS A ND1  1 
ATOM   1181 C  CD2  . HIS A 1 100 ? -36.750 35.254 25.878  1.00 8.84   ?  100  HIS A CD2  1 
ATOM   1182 C  CE1  . HIS A 1 100 ? -37.611 36.607 27.367  1.00 8.05   ?  100  HIS A CE1  1 
ATOM   1183 N  NE2  . HIS A 1 100 ? -37.761 35.410 26.780  1.00 9.30   ?  100  HIS A NE2  1 
ATOM   1184 H  H    . HIS A 1 100 ? -32.772 38.551 25.817  1.00 7.06   ?  100  HIS A H    1 
ATOM   1185 H  HA   . HIS A 1 100 ? -33.502 35.949 26.558  1.00 6.83   ?  100  HIS A HA   1 
ATOM   1186 H  HB2  . HIS A 1 100 ? -34.902 37.608 24.732  1.00 7.16   ?  100  HIS A HB2  1 
ATOM   1187 H  HB3  . HIS A 1 100 ? -34.762 36.091 24.314  1.00 7.14   ?  100  HIS A HB3  1 
ATOM   1188 H  HD1  . HIS A 1 100 ? -36.218 38.001 27.065  0.00 8.43   ?  100  HIS A HD1  1 
ATOM   1189 H  HD2  . HIS A 1 100 ? -36.633 34.509 25.321  1.00 8.62   ?  100  HIS A HD2  1 
ATOM   1190 H  HE1  . HIS A 1 100 ? -38.159 36.960 28.042  1.00 8.29   ?  100  HIS A HE1  1 
ATOM   1191 H  HE2  . HIS A 1 100 ? -38.399 34.831 26.953  0.00 9.77   ?  100  HIS A HE2  1 
ATOM   1192 N  N    . VAL A 1 101 ? -32.235 34.866 24.722  1.00 6.79   ?  101  VAL A N    1 
ATOM   1193 C  CA   . VAL A 1 101 ? -31.459 34.261 23.654  1.00 6.64   ?  101  VAL A CA   1 
ATOM   1194 C  C    . VAL A 1 101 ? -32.303 33.117 23.117  1.00 6.74   ?  101  VAL A C    1 
ATOM   1195 O  O    . VAL A 1 101 ? -32.762 32.225 23.830  1.00 7.42   ?  101  VAL A O    1 
ATOM   1196 C  CB   . VAL A 1 101 ? -30.140 33.708 24.160  1.00 6.86   ?  101  VAL A CB   1 
ATOM   1197 C  CG1  . VAL A 1 101 ? -29.274 33.286 22.996  1.00 6.98   ?  101  VAL A CG1  1 
ATOM   1198 C  CG2  . VAL A 1 101 ? -29.456 34.670 25.096  1.00 8.76   ?  101  VAL A CG2  1 
ATOM   1199 H  H    . VAL A 1 101 ? -32.625 34.321 25.343  1.00 6.73   ?  101  VAL A H    1 
ATOM   1200 H  HA   . VAL A 1 101 ? -31.299 34.912 22.953  1.00 6.67   ?  101  VAL A HA   1 
ATOM   1201 H  HB   . VAL A 1 101 ? -30.348 32.894 24.681  1.00 6.90   ?  101  VAL A HB   1 
ATOM   1202 H  HG11 . VAL A 1 101 ? -29.176 34.029 22.376  1.00 6.96   ?  101  VAL A HG11 1 
ATOM   1203 H  HG12 . VAL A 1 101 ? -29.688 32.534 22.537  1.00 6.92   ?  101  VAL A HG12 1 
ATOM   1204 H  HG13 . VAL A 1 101 ? -28.397 33.020 23.324  1.00 6.94   ?  101  VAL A HG13 1 
ATOM   1205 H  HG21 . VAL A 1 101 ? -28.560 34.347 25.295  1.00 8.17   ?  101  VAL A HG21 1 
ATOM   1206 H  HG22 . VAL A 1 101 ? -29.966 34.740 25.922  1.00 8.35   ?  101  VAL A HG22 1 
ATOM   1207 H  HG23 . VAL A 1 101 ? -29.399 35.546 24.676  1.00 8.21   ?  101  VAL A HG23 1 
ATOM   1208 N  N    . ARG A 1 102 ? -32.581 33.149 21.774  1.00 6.20   ?  102  ARG A N    1 
ATOM   1209 C  CA   . ARG A 1 102 ? -33.323 32.110 21.090  1.00 6.14   ?  102  ARG A CA   1 
ATOM   1210 C  C    . ARG A 1 102 ? -32.319 31.155 20.484  1.00 6.04   ?  102  ARG A C    1 
ATOM   1211 O  O    . ARG A 1 102 ? -31.380 31.596 19.802  1.00 6.46   ?  102  ARG A O    1 
ATOM   1212 C  CB   . ARG A 1 102 ? -34.243 32.714 20.028  1.00 6.33   ?  102  ARG A CB   1 
ATOM   1213 C  CG   . ARG A 1 102 ? -35.031 31.704 19.202  1.00 6.10   ?  102  ARG A CG   1 
ATOM   1214 C  CD   . ARG A 1 102 ? -36.091 32.394 18.380  1.00 6.17   ?  102  ARG A CD   1 
ATOM   1215 N  NE   . ARG A 1 102 ? -36.852 31.503 17.536  1.00 6.45   ?  102  ARG A NE   1 
ATOM   1216 C  CZ   . ARG A 1 102 ? -36.688 31.341 16.201  1.00 6.65   ?  102  ARG A CZ   1 
ATOM   1217 N  NH1  . ARG A 1 102 ? -35.626 31.824 15.572  1.00 6.81   1  102  ARG A NH1  1 
ATOM   1218 N  NH2  . ARG A 1 102 ? -37.616 30.680 15.558  1.00 6.40   ?  102  ARG A NH2  1 
ATOM   1219 H  H    . ARG A 1 102 ? -32.284 33.860 21.283  1.00 6.34   ?  102  ARG A H    1 
ATOM   1220 H  HA   . ARG A 1 102 ? -33.870 31.629 21.748  1.00 6.15   ?  102  ARG A HA   1 
ATOM   1221 H  HB2  . ARG A 1 102 ? -34.876 33.314 20.474  1.00 6.24   ?  102  ARG A HB2  1 
ATOM   1222 H  HB3  . ARG A 1 102 ? -33.698 33.257 19.421  1.00 6.23   ?  102  ARG A HB3  1 
ATOM   1223 H  HG2  . ARG A 1 102 ? -34.423 31.221 18.604  1.00 6.14   ?  102  ARG A HG2  1 
ATOM   1224 H  HG3  . ARG A 1 102 ? -35.458 31.053 19.799  1.00 6.16   ?  102  ARG A HG3  1 
ATOM   1225 H  HD2  . ARG A 1 102 ? -36.710 32.853 18.988  1.00 6.19   ?  102  ARG A HD2  1 
ATOM   1226 H  HD3  . ARG A 1 102 ? -35.667 33.079 17.823  1.00 6.20   ?  102  ARG A HD3  1 
ATOM   1227 H  HE   . ARG A 1 102 ? -37.471 31.023 17.920  1.00 6.41   ?  102  ARG A HE   1 
ATOM   1228 H  HH11 . ARG A 1 102 ? -34.877 31.968 16.015  1.00 6.72   ?  102  ARG A HH11 1 
ATOM   1229 H  HH12 . ARG A 1 102 ? -35.669 31.987 14.708  1.00 6.75   ?  102  ARG A HH12 1 
ATOM   1230 H  HH21 . ARG A 1 102 ? -37.487 30.453 14.718  1.00 6.47   ?  102  ARG A HH21 1 
ATOM   1231 H  HH22 . ARG A 1 102 ? -38.364 30.467 15.963  1.00 6.44   ?  102  ARG A HH22 1 
ATOM   1232 N  N    . ILE A 1 103 ? -32.470 29.873 20.777  1.00 5.92   ?  103  ILE A N    1 
ATOM   1233 C  CA   . ILE A 1 103 ? -31.452 28.894 20.430  1.00 5.96   ?  103  ILE A CA   1 
ATOM   1234 C  C    . ILE A 1 103 ? -32.054 27.772 19.599  1.00 5.73   ?  103  ILE A C    1 
ATOM   1235 O  O    . ILE A 1 103 ? -32.733 26.877 20.102  1.00 6.30   ?  103  ILE A O    1 
ATOM   1236 C  CB   . ILE A 1 103 ? -30.706 28.308 21.639  1.00 6.53   ?  103  ILE A CB   1 
ATOM   1237 C  CG1  . ILE A 1 103 ? -30.179 29.445 22.517  1.00 7.09   ?  103  ILE A CG1  1 
ATOM   1238 C  CG2  . ILE A 1 103 ? -29.574 27.435 21.129  1.00 6.97   ?  103  ILE A CG2  1 
ATOM   1239 C  CD1  . ILE A 1 103 ? -29.377 29.000 23.736  1.00 7.46   ?  103  ILE A CD1  1 
ATOM   1240 H  H    . ILE A 1 103 ? -33.228 29.590 21.203  1.00 5.94   ?  103  ILE A H    1 
ATOM   1241 H  HA   . ILE A 1 103 ? -30.788 29.344 19.882  1.00 5.98   ?  103  ILE A HA   1 
ATOM   1242 H  HB   . ILE A 1 103 ? -31.332 27.755 22.168  1.00 6.56   ?  103  ILE A HB   1 
ATOM   1243 H  HG12 . ILE A 1 103 ? -29.611 30.026 21.967  1.00 7.05   ?  103  ILE A HG12 1 
ATOM   1244 H  HG13 . ILE A 1 103 ? -30.940 29.981 22.826  1.00 7.03   ?  103  ILE A HG13 1 
ATOM   1245 H  HG21 . ILE A 1 103 ? -28.970 27.970 20.585  1.00 6.86   ?  103  ILE A HG21 1 
ATOM   1246 H  HG22 . ILE A 1 103 ? -29.934 26.709 20.592  1.00 6.85   ?  103  ILE A HG22 1 
ATOM   1247 H  HG23 . ILE A 1 103 ? -29.084 27.062 21.882  1.00 6.88   ?  103  ILE A HG23 1 
ATOM   1248 H  HD11 . ILE A 1 103 ? -28.523 28.631 23.450  1.00 7.35   ?  103  ILE A HD11 1 
ATOM   1249 H  HD12 . ILE A 1 103 ? -29.876 28.320 24.223  1.00 7.39   ?  103  ILE A HD12 1 
ATOM   1250 H  HD13 . ILE A 1 103 ? -29.220 29.763 24.319  1.00 7.37   ?  103  ILE A HD13 1 
ATOM   1251 N  N    . PRO A 1 104 ? -31.773 27.814 18.264  1.00 6.11   ?  104  PRO A N    1 
ATOM   1252 C  CA   . PRO A 1 104 ? -32.147 26.712 17.391  1.00 6.21   ?  104  PRO A CA   1 
ATOM   1253 C  C    . PRO A 1 104 ? -31.483 25.403 17.760  1.00 6.54   ?  104  PRO A C    1 
ATOM   1254 O  O    . PRO A 1 104 ? -30.285 25.357 18.005  1.00 6.82   ?  104  PRO A O    1 
ATOM   1255 C  CB   . PRO A 1 104 ? -31.678 27.173 16.023  1.00 6.24   ?  104  PRO A CB   1 
ATOM   1256 C  CG   . PRO A 1 104 ? -31.732 28.693 16.104  1.00 6.25   ?  104  PRO A CG   1 
ATOM   1257 C  CD   . PRO A 1 104 ? -31.252 28.968 17.531  1.00 6.54   ?  104  PRO A CD   1 
ATOM   1258 H  HA   . PRO A 1 104 ? -33.132 26.613 17.388  1.00 6.25   ?  104  PRO A HA   1 
ATOM   1259 H  HB2  . PRO A 1 104 ? -30.764 26.866 15.842  1.00 6.24   ?  104  PRO A HB2  1 
ATOM   1260 H  HB3  . PRO A 1 104 ? -32.268 26.840 15.319  1.00 6.25   ?  104  PRO A HB3  1 
ATOM   1261 H  HG2  . PRO A 1 104 ? -31.136 29.104 15.445  1.00 6.31   ?  104  PRO A HG2  1 
ATOM   1262 H  HG3  . PRO A 1 104 ? -32.643 29.023 15.968  1.00 6.27   ?  104  PRO A HG3  1 
ATOM   1263 H  HD2  . PRO A 1 104 ? -30.279 29.006 17.578  1.00 6.41   ?  104  PRO A HD2  1 
ATOM   1264 H  HD3  . PRO A 1 104 ? -31.624 29.802 17.871  1.00 6.39   ?  104  PRO A HD3  1 
ATOM   1265 N  N    . ILE A 1 105 ? -32.256 24.323 17.712  1.00 6.35   ?  105  ILE A N    1 
ATOM   1266 C  CA   . ILE A 1 105 ? -31.742 22.988 17.833  1.00 6.64   ?  105  ILE A CA   1 
ATOM   1267 C  C    . ILE A 1 105 ? -32.544 22.078 16.906  1.00 6.28   ?  105  ILE A C    1 
ATOM   1268 O  O    . ILE A 1 105 ? -33.730 22.269 16.731  1.00 6.58   ?  105  ILE A O    1 
ATOM   1269 C  CB   . ILE A 1 105 ? -31.717 22.540 19.314  1.00 7.94   ?  105  ILE A CB   1 
ATOM   1270 C  CG1  . ILE A 1 105 ? -30.895 21.254 19.449  1.00 10.32  ?  105  ILE A CG1  1 
ATOM   1271 C  CG2  . ILE A 1 105 ? -33.141 22.418 19.858  1.00 8.45   ?  105  ILE A CG2  1 
ATOM   1272 C  CD1  . ILE A 1 105 ? -30.482 20.942 20.814  1.00 11.87  ?  105  ILE A CD1  1 
ATOM   1273 H  H    . ILE A 1 105 ? -33.157 24.432 17.602  1.00 6.40   ?  105  ILE A H    1 
ATOM   1274 H  HA   . ILE A 1 105 ? -30.822 22.996 17.514  1.00 6.69   ?  105  ILE A HA   1 
ATOM   1275 H  HB   . ILE A 1 105 ? -31.256 23.245 19.832  1.00 7.83   ?  105  ILE A HB   1 
ATOM   1276 H  HG12 . ILE A 1 105 ? -31.427 20.504 19.105  1.00 9.73   ?  105  ILE A HG12 1 
ATOM   1277 H  HG13 . ILE A 1 105 ? -30.093 21.333 18.891  1.00 9.78   ?  105  ILE A HG13 1 
ATOM   1278 H  HG21 . ILE A 1 105 ? -33.604 21.690 19.406  1.00 8.32   ?  105  ILE A HG21 1 
ATOM   1279 H  HG22 . ILE A 1 105 ? -33.622 23.250 19.705  1.00 8.30   ?  105  ILE A HG22 1 
ATOM   1280 H  HG23 . ILE A 1 105 ? -33.110 22.235 20.813  1.00 8.31   ?  105  ILE A HG23 1 
ATOM   1281 H  HD11 . ILE A 1 105 ? -31.267 20.858 21.382  1.00 11.43  ?  105  ILE A HD11 1 
ATOM   1282 H  HD12 . ILE A 1 105 ? -29.912 21.654 21.152  1.00 11.43  ?  105  ILE A HD12 1 
ATOM   1283 H  HD13 . ILE A 1 105 ? -29.987 20.104 20.821  1.00 11.45  ?  105  ILE A HD13 1 
ATOM   1284 N  N    . GLY A 1 106 ? -31.869 21.099 16.323  1.00 6.15   ?  106  GLY A N    1 
ATOM   1285 C  CA   . GLY A 1 106 ? -32.546 20.219 15.391  1.00 6.48   ?  106  GLY A CA   1 
ATOM   1286 C  C    . GLY A 1 106 ? -33.064 18.962 16.063  1.00 6.35   ?  106  GLY A C    1 
ATOM   1287 O  O    . GLY A 1 106 ? -32.511 18.551 17.095  1.00 6.95   ?  106  GLY A O    1 
ATOM   1288 H  H    . GLY A 1 106 ? -30.982 20.971 16.502  1.00 6.23   ?  106  GLY A H    1 
ATOM   1289 H  HA2  . GLY A 1 106 ? -33.301 20.703 14.972  1.00 6.38   ?  106  GLY A HA2  1 
ATOM   1290 H  HA3  . GLY A 1 106 ? -31.912 19.966 14.674  1.00 6.35   ?  106  GLY A HA3  1 
ATOM   1291 N  N    . TYR A 1 107 ? -34.017 18.285 15.468  1.00 6.25   ?  107  TYR A N    1 
ATOM   1292 C  CA   . TYR A 1 107 ? -34.548 17.091 16.094  1.00 6.26   ?  107  TYR A CA   1 
ATOM   1293 C  C    . TYR A 1 107 ? -33.439 16.058 16.307  1.00 6.34   ?  107  TYR A C    1 
ATOM   1294 O  O    . TYR A 1 107 ? -33.519 15.215 17.211  1.00 7.62   ?  107  TYR A O    1 
ATOM   1295 C  CB   . TYR A 1 107 ? -35.672 16.440 15.279  1.00 6.43   ?  107  TYR A CB   1 
ATOM   1296 C  CG   . TYR A 1 107 ? -35.260 15.698 14.019  1.00 6.59   ?  107  TYR A CG   1 
ATOM   1297 C  CD1  . TYR A 1 107 ? -34.822 14.387 14.100  1.00 7.16   ?  107  TYR A CD1  1 
ATOM   1298 C  CD2  . TYR A 1 107 ? -35.222 16.310 12.783  1.00 6.63   ?  107  TYR A CD2  1 
ATOM   1299 C  CE1  . TYR A 1 107 ? -34.418 13.688 12.989  1.00 7.06   ?  107  TYR A CE1  1 
ATOM   1300 C  CE2  . TYR A 1 107 ? -34.819 15.627 11.648  1.00 7.17   ?  107  TYR A CE2  1 
ATOM   1301 C  CZ   . TYR A 1 107 ? -34.387 14.311 11.743  1.00 7.60   ?  107  TYR A CZ   1 
ATOM   1302 O  OH   . TYR A 1 107 ? -33.999 13.667 10.610  1.00 7.53   ?  107  TYR A OH   1 
ATOM   1303 H  H    . TYR A 1 107 ? -34.349 18.559 14.662  1.00 6.28   ?  107  TYR A H    1 
ATOM   1304 H  HA   . TYR A 1 107 ? -34.912 17.341 16.981  1.00 6.31   ?  107  TYR A HA   1 
ATOM   1305 H  HB2  . TYR A 1 107 ? -36.145 15.814 15.865  1.00 6.43   ?  107  TYR A HB2  1 
ATOM   1306 H  HB3  . TYR A 1 107 ? -36.308 17.142 15.029  1.00 6.43   ?  107  TYR A HB3  1 
ATOM   1307 H  HD1  . TYR A 1 107 ? -34.826 13.952 14.936  1.00 7.01   ?  107  TYR A HD1  1 
ATOM   1308 H  HD2  . TYR A 1 107 ? -35.502 17.206 12.704  1.00 6.72   ?  107  TYR A HD2  1 
ATOM   1309 H  HE1  . TYR A 1 107 ? -34.135 12.793 13.073  1.00 7.16   ?  107  TYR A HE1  1 
ATOM   1310 H  HE2  . TYR A 1 107 ? -34.812 16.064 10.812  1.00 7.08   ?  107  TYR A HE2  1 
ATOM   1311 H  HH   . TYR A 1 107 ? -33.755 12.844 10.652  0.00 7.58   ?  107  TYR A HH   1 
ATOM   1312 N  N    . TRP A 1 108 ? -32.470 16.039 15.404  1.00 6.52   ?  108  TRP A N    1 
ATOM   1313 C  CA   . TRP A 1 108 ? -31.434 15.042 15.412  1.00 6.71   ?  108  TRP A CA   1 
ATOM   1314 C  C    . TRP A 1 108 ? -30.551 15.105 16.664  1.00 6.97   ?  108  TRP A C    1 
ATOM   1315 O  O    . TRP A 1 108 ? -29.893 14.128 16.998  1.00 7.30   ?  108  TRP A O    1 
ATOM   1316 C  CB   . TRP A 1 108 ? -30.616 15.106 14.130  1.00 6.66   ?  108  TRP A CB   1 
ATOM   1317 C  CG   . TRP A 1 108 ? -30.045 16.454 13.832  1.00 6.63   ?  108  TRP A CG   1 
ATOM   1318 C  CD1  . TRP A 1 108 ? -28.784 16.890 14.117  1.00 6.83   ?  108  TRP A CD1  1 
ATOM   1319 C  CD2  . TRP A 1 108 ? -30.670 17.509 13.092  1.00 6.78   ?  108  TRP A CD2  1 
ATOM   1320 N  NE1  . TRP A 1 108 ? -28.588 18.159 13.670  1.00 6.68   ?  108  TRP A NE1  1 
ATOM   1321 C  CE2  . TRP A 1 108 ? -29.738 18.550 13.023  1.00 6.74   ?  108  TRP A CE2  1 
ATOM   1322 C  CE3  . TRP A 1 108 ? -31.902 17.647 12.452  1.00 7.28   ?  108  TRP A CE3  1 
ATOM   1323 C  CZ2  . TRP A 1 108 ? -30.019 19.731 12.332  1.00 7.50   ?  108  TRP A CZ2  1 
ATOM   1324 C  CZ3  . TRP A 1 108 ? -32.217 18.835 11.817  1.00 7.78   ?  108  TRP A CZ3  1 
ATOM   1325 C  CH2  . TRP A 1 108 ? -31.273 19.865 11.755  1.00 7.56   ?  108  TRP A CH2  1 
ATOM   1326 H  H    . TRP A 1 108 ? -32.471 16.666 14.742  1.00 6.50   ?  108  TRP A H    1 
ATOM   1327 H  HA   . TRP A 1 108 ? -31.886 14.166 15.414  1.00 6.70   ?  108  TRP A HA   1 
ATOM   1328 H  HB2  . TRP A 1 108 ? -29.886 14.458 14.199  1.00 6.67   ?  108  TRP A HB2  1 
ATOM   1329 H  HB3  . TRP A 1 108 ? -31.190 14.832 13.386  1.00 6.68   ?  108  TRP A HB3  1 
ATOM   1330 H  HD1  . TRP A 1 108 ? -28.154 16.407 14.629  1.00 6.73   ?  108  TRP A HD1  1 
ATOM   1331 H  HE1  . TRP A 1 108 ? -27.858 18.636 13.768  1.00 6.69   ?  108  TRP A HE1  1 
ATOM   1332 H  HE3  . TRP A 1 108 ? -32.539 16.955 12.504  1.00 7.25   ?  108  TRP A HE3  1 
ATOM   1333 H  HZ2  . TRP A 1 108 ? -29.395 20.437 12.310  1.00 7.33   ?  108  TRP A HZ2  1 
ATOM   1334 H  HZ3  . TRP A 1 108 ? -33.058 18.941 11.402  1.00 7.62   ?  108  TRP A HZ3  1 
ATOM   1335 H  HH2  . TRP A 1 108 ? -31.492 20.665 11.310  1.00 7.54   ?  108  TRP A HH2  1 
ATOM   1336 N  N    . ALA A 1 109 ? -30.495 16.258 17.330  1.00 6.89   ?  109  ALA A N    1 
ATOM   1337 C  CA   . ALA A 1 109 ? -29.760 16.367 18.573  1.00 7.41   ?  109  ALA A CA   1 
ATOM   1338 C  C    . ALA A 1 109 ? -30.354 15.396 19.571  1.00 7.38   ?  109  ALA A C    1 
ATOM   1339 O  O    . ALA A 1 109 ? -29.646 15.034 20.523  1.00 7.74   ?  109  ALA A O    1 
ATOM   1340 C  CB   . ALA A 1 109 ? -29.832 17.781 19.102  1.00 7.37   ?  109  ALA A CB   1 
ATOM   1341 H  H    . ALA A 1 109 ? -30.912 17.000 16.995  1.00 6.94   ?  109  ALA A H    1 
ATOM   1342 H  HA   . ALA A 1 109 ? -28.820 16.125 18.412  1.00 7.29   ?  109  ALA A HA   1 
ATOM   1343 H  HB1  . ALA A 1 109 ? -29.334 17.843 19.934  1.00 7.38   ?  109  ALA A HB1  1 
ATOM   1344 H  HB2  . ALA A 1 109 ? -29.449 18.392 18.450  1.00 7.36   ?  109  ALA A HB2  1 
ATOM   1345 H  HB3  . ALA A 1 109 ? -30.760 18.022 19.262  1.00 7.39   ?  109  ALA A HB3  1 
ATOM   1346 N  N    . LEU A 1 110 ? -31.638 15.075 19.466  1.00 7.53   ?  110  LEU A N    1 
ATOM   1347 C  CA   . LEU A 1 110 ? -32.316 14.219 20.419  1.00 8.27   ?  110  LEU A CA   1 
ATOM   1348 C  C    . LEU A 1 110 ? -32.348 12.778 19.963  1.00 8.43   ?  110  LEU A C    1 
ATOM   1349 O  O    . LEU A 1 110 ? -33.036 11.963 20.578  1.00 10.42  ?  110  LEU A O    1 
ATOM   1350 C  CB   . LEU A 1 110 ? -33.722 14.771 20.632  1.00 9.12   ?  110  LEU A CB   1 
ATOM   1351 C  CG   . LEU A 1 110 ? -33.581 16.161 21.238  1.00 10.72  ?  110  LEU A CG   1 
ATOM   1352 C  CD1  . LEU A 1 110 ? -34.085 17.236 20.340  1.00 10.71  ?  110  LEU A CD1  1 
ATOM   1353 C  CD2  . LEU A 1 110 ? -33.859 16.268 22.678  1.00 10.19  ?  110  LEU A CD2  1 
ATOM   1354 H  H    . LEU A 1 110 ? -32.125 15.421 18.776  1.00 7.59   ?  110  LEU A H    1 
ATOM   1355 H  HA   . LEU A 1 110 ? -31.825 14.258 21.272  1.00 8.26   ?  110  LEU A HA   1 
ATOM   1356 H  HB2  . LEU A 1 110 ? -34.195 14.821 19.778  1.00 9.09   ?  110  LEU A HB2  1 
ATOM   1357 H  HB3  . LEU A 1 110 ? -34.221 14.190 21.241  1.00 9.07   ?  110  LEU A HB3  1 
ATOM   1358 H  HG   . LEU A 1 110 ? -32.605 16.314 21.211  1.00 10.14  ?  110  LEU A HG   1 
ATOM   1359 H  HD11 . LEU A 1 110 ? -33.792 18.102 20.674  1.00 10.70  ?  110  LEU A HD11 1 
ATOM   1360 H  HD12 . LEU A 1 110 ? -35.057 17.210 20.315  1.00 10.72  ?  110  LEU A HD12 1 
ATOM   1361 H  HD13 . LEU A 1 110 ? -33.734 17.101 19.442  1.00 10.85  ?  110  LEU A HD13 1 
ATOM   1362 H  HD21 . LEU A 1 110 ? -33.251 15.689 23.170  1.00 10.16  ?  110  LEU A HD21 1 
ATOM   1363 H  HD22 . LEU A 1 110 ? -34.777 15.996 22.852  1.00 10.19  ?  110  LEU A HD22 1 
ATOM   1364 H  HD23 . LEU A 1 110 ? -33.734 17.189 22.965  1.00 10.17  ?  110  LEU A HD23 1 
ATOM   1365 N  N    . GLY A 1 111 ? -31.630 12.482 18.868  1.00 8.46   ?  111  GLY A N    1 
ATOM   1366 C  CA   . GLY A 1 111 ? -31.515 11.122 18.359  1.00 9.03   ?  111  GLY A CA   1 
ATOM   1367 C  C    . GLY A 1 111 ? -31.715 11.106 16.854  1.00 8.94   ?  111  GLY A C    1 
ATOM   1368 O  O    . GLY A 1 111 ? -32.841 11.243 16.395  1.00 9.87   ?  111  GLY A O    1 
ATOM   1369 H  H    . GLY A 1 111 ? -31.196 13.149 18.421  1.00 8.42   ?  111  GLY A H    1 
ATOM   1370 H  HA2  . GLY A 1 111 ? -30.621 10.763 18.583  1.00 8.91   ?  111  GLY A HA2  1 
ATOM   1371 H  HA3  . GLY A 1 111 ? -32.198 10.549 18.788  1.00 8.91   ?  111  GLY A HA3  1 
ATOM   1372 N  N    . PRO A 1 112 ? -30.657 10.946 16.049  1.00 9.40   ?  112  PRO A N    1 
ATOM   1373 C  CA   . PRO A 1 112 ? -30.850 10.813 14.603  1.00 8.95   ?  112  PRO A CA   1 
ATOM   1374 C  C    . PRO A 1 112 ? -31.729 9.615  14.318  1.00 8.93   ?  112  PRO A C    1 
ATOM   1375 O  O    . PRO A 1 112 ? -31.615 8.595  14.991  1.00 10.03  ?  112  PRO A O    1 
ATOM   1376 C  CB   . PRO A 1 112 ? -29.427 10.649 14.073  1.00 9.70   ?  112  PRO A CB   1 
ATOM   1377 C  CG   . PRO A 1 112 ? -28.559 11.321 15.086  1.00 9.80   ?  112  PRO A CG   1 
ATOM   1378 C  CD   . PRO A 1 112 ? -29.233 10.991 16.396  1.00 9.13   ?  112  PRO A CD   1 
ATOM   1379 H  HA   . PRO A 1 112 ? -31.254 11.641 14.240  1.00 9.10   ?  112  PRO A HA   1 
ATOM   1380 H  HB2  . PRO A 1 112 ? -29.191 9.700  13.990  1.00 9.53   ?  112  PRO A HB2  1 
ATOM   1381 H  HB3  . PRO A 1 112 ? -29.330 11.076 13.196  1.00 9.66   ?  112  PRO A HB3  1 
ATOM   1382 H  HG2  . PRO A 1 112 ? -27.647 10.965 15.061  1.00 9.61   ?  112  PRO A HG2  1 
ATOM   1383 H  HG3  . PRO A 1 112 ? -28.530 12.288 14.940  1.00 9.63   ?  112  PRO A HG3  1 
ATOM   1384 H  HD2  . PRO A 1 112 ? -28.930 10.130 16.739  1.00 9.26   ?  112  PRO A HD2  1 
ATOM   1385 H  HD3  . PRO A 1 112 ? -29.056 11.678 17.064  1.00 9.17   ?  112  PRO A HD3  1 
ATOM   1386 N  N    . LEU A 1 113 ? -32.573 9.742  13.287  1.00 8.89   ?  113  LEU A N    1 
ATOM   1387 C  CA   . LEU A 1 113 ? -33.401 8.616  12.909  1.00 9.36   ?  113  LEU A CA   1 
ATOM   1388 C  C    . LEU A 1 113 ? -32.585 7.632  12.066  1.00 9.96   ?  113  LEU A C    1 
ATOM   1389 O  O    . LEU A 1 113 ? -31.511 7.942  11.599  1.00 10.44  ?  113  LEU A O    1 
ATOM   1390 C  CB   . LEU A 1 113 ? -34.603 9.126  12.102  1.00 10.64  ?  113  LEU A CB   1 
ATOM   1391 C  CG   . LEU A 1 113 ? -35.577 9.962  12.927  1.00 12.45  ?  113  LEU A CG   1 
ATOM   1392 C  CD1  . LEU A 1 113 ? -36.564 10.650 12.003  1.00 13.84  ?  113  LEU A CD1  1 
ATOM   1393 C  CD2  . LEU A 1 113 ? -36.309 9.132  13.963  1.00 14.04  ?  113  LEU A CD2  1 
ATOM   1394 H  H    . LEU A 1 113 ? -32.636 10.528 12.826  1.00 8.97   ?  113  LEU A H    1 
ATOM   1395 H  HA   . LEU A 1 113 ? -33.714 8.160  13.724  1.00 9.48   ?  113  LEU A HA   1 
ATOM   1396 H  HB2  . LEU A 1 113 ? -34.274 9.665  11.356  1.00 10.68  ?  113  LEU A HB2  1 
ATOM   1397 H  HB3  . LEU A 1 113 ? -35.081 8.358  11.731  1.00 10.44  ?  113  LEU A HB3  1 
ATOM   1398 H  HG   . LEU A 1 113 ? -35.061 10.659 13.400  1.00 12.40  ?  113  LEU A HG   1 
ATOM   1399 H  HD11 . LEU A 1 113 ? -37.063 11.320 12.502  1.00 13.50  ?  113  LEU A HD11 1 
ATOM   1400 H  HD12 . LEU A 1 113 ? -37.182 9.992  11.638  1.00 13.47  ?  113  LEU A HD12 1 
ATOM   1401 H  HD13 . LEU A 1 113 ? -36.084 11.081 11.275  1.00 13.49  ?  113  LEU A HD13 1 
ATOM   1402 H  HD21 . LEU A 1 113 ? -35.678 8.816  14.633  1.00 13.62  ?  113  LEU A HD21 1 
ATOM   1403 H  HD22 . LEU A 1 113 ? -36.731 8.370  13.530  1.00 13.63  ?  113  LEU A HD22 1 
ATOM   1404 H  HD23 . LEU A 1 113 ? -36.990 9.678  14.393  1.00 13.48  ?  113  LEU A HD23 1 
ATOM   1405 N  N    . GLU A 1 114 ? -33.131 6.451  11.898  1.00 11.78  ?  114  GLU A N    1 
ATOM   1406 C  CA   . GLU A 1 114 ? -32.520 5.420  11.096  1.00 13.14  ?  114  GLU A CA   1 
ATOM   1407 C  C    . GLU A 1 114 ? -32.225 5.971  9.720   1.00 12.00  ?  114  GLU A C    1 
ATOM   1408 O  O    . GLU A 1 114 ? -33.096 6.552  9.086   1.00 14.11  ?  114  GLU A O    1 
ATOM   1409 C  CB   . GLU A 1 114 ? -33.500 4.243  11.011  1.00 17.11  ?  114  GLU A CB   1 
ATOM   1410 C  CG   . GLU A 1 114 ? -33.177 3.185  9.980   1.00 20.45  ?  114  GLU A CG   1 
ATOM   1411 C  CD   . GLU A 1 114 ? -32.145 2.204  10.495  1.00 22.05  ?  114  GLU A CD   1 
ATOM   1412 O  OE1  . GLU A 1 114 ? -31.583 2.504  11.581  1.00 24.83  ?  114  GLU A OE1  1 
ATOM   1413 O  OE2  . GLU A 1 114 ? -31.940 1.166  9.863   1.00 21.31  -1 114  GLU A OE2  1 
ATOM   1414 H  H    . GLU A 1 114 ? -33.930 6.273  12.305  1.00 11.37  ?  114  GLU A H    1 
ATOM   1415 H  HA   . GLU A 1 114 ? -31.684 5.128  11.527  1.00 13.08  ?  114  GLU A HA   1 
ATOM   1416 H  HB2  . GLU A 1 114 ? -33.549 3.819  11.893  1.00 16.67  ?  114  GLU A HB2  1 
ATOM   1417 H  HB3  . GLU A 1 114 ? -34.390 4.603  10.811  1.00 16.44  ?  114  GLU A HB3  1 
ATOM   1418 H  HG2  . GLU A 1 114 ? -33.995 2.695  9.748   1.00 19.89  ?  114  GLU A HG2  1 
ATOM   1419 H  HG3  . GLU A 1 114 ? -32.837 3.608  9.164   1.00 19.79  ?  114  GLU A HG3  1 
ATOM   1420 N  N    . GLY A 1 115 ? -30.975 5.855  9.338   1.00 12.75  ?  115  GLY A N    1 
ATOM   1421 C  CA   . GLY A 1 115 ? -30.557 6.340  8.025   1.00 12.52  ?  115  GLY A CA   1 
ATOM   1422 C  C    . GLY A 1 115 ? -30.169 7.815  7.965   1.00 11.37  ?  115  GLY A C    1 
ATOM   1423 O  O    . GLY A 1 115 ? -29.633 8.242  6.950   1.00 13.90  ?  115  GLY A O    1 
ATOM   1424 H  H    . GLY A 1 115 ? -30.357 5.469  9.889   1.00 12.66  ?  115  GLY A H    1 
ATOM   1425 H  HA2  . GLY A 1 115 ? -29.783 5.801  7.730   1.00 12.34  ?  115  GLY A HA2  1 
ATOM   1426 H  HA3  . GLY A 1 115 ? -31.287 6.178  7.380   1.00 12.33  ?  115  GLY A HA3  1 
ATOM   1427 N  N    . ASP A 1 116 ? -30.411 8.588  9.015   1.00 8.07   ?  116  ASP A N    1 
ATOM   1428 C  CA   . ASP A 1 116 ? -30.049 9.995  8.963   1.00 8.13   ?  116  ASP A CA   1 
ATOM   1429 C  C    . ASP A 1 116 ? -28.536 10.084 8.966   1.00 8.27   ?  116  ASP A C    1 
ATOM   1430 O  O    . ASP A 1 116 ? -27.878 9.388  9.723   1.00 9.40   ?  116  ASP A O    1 
ATOM   1431 C  CB   . ASP A 1 116 ? -30.576 10.783 10.148  1.00 8.09   ?  116  ASP A CB   1 
ATOM   1432 C  CG   . ASP A 1 116 ? -32.043 11.155 10.129  1.00 8.30   ?  116  ASP A CG   1 
ATOM   1433 O  OD1  . ASP A 1 116 ? -32.678 10.933 9.081   1.00 10.96  ?  116  ASP A OD1  1 
ATOM   1434 O  OD2  . ASP A 1 116 ? -32.484 11.661 11.172  1.00 8.75   -1 116  ASP A OD2  1 
ATOM   1435 H  H    . ASP A 1 116 ? -30.798 8.249  9.770   1.00 8.57   ?  116  ASP A H    1 
ATOM   1436 H  HA   . ASP A 1 116 ? -30.401 10.384 8.130   1.00 8.11   ?  116  ASP A HA   1 
ATOM   1437 H  HB2  . ASP A 1 116 ? -30.413 10.262 10.961  1.00 8.18   ?  116  ASP A HB2  1 
ATOM   1438 H  HB3  . ASP A 1 116 ? -30.064 11.614 10.218  1.00 8.12   ?  116  ASP A HB3  1 
ATOM   1439 N  N    . PRO A 1 117 ? -27.937 11.013 8.206   1.00 7.63   ?  117  PRO A N    1 
ATOM   1440 C  CA   . PRO A 1 117 ? -26.495 11.265 8.309   1.00 7.82   ?  117  PRO A CA   1 
ATOM   1441 C  C    . PRO A 1 117 ? -26.091 12.112 9.493   1.00 7.38   ?  117  PRO A C    1 
ATOM   1442 O  O    . PRO A 1 117 ? -24.936 12.114 9.863   1.00 8.09   ?  117  PRO A O    1 
ATOM   1443 C  CB   . PRO A 1 117 ? -26.256 11.949 6.953   1.00 7.96   ?  117  PRO A CB   1 
ATOM   1444 C  CG   . PRO A 1 117 ? -27.519 12.717 6.672   1.00 7.86   ?  117  PRO A CG   1 
ATOM   1445 C  CD   . PRO A 1 117 ? -28.612 11.791 7.151   1.00 8.08   ?  117  PRO A CD   1 
ATOM   1446 H  HA   . PRO A 1 117 ? -26.011 10.402 8.329   1.00 7.73   ?  117  PRO A HA   1 
ATOM   1447 H  HB2  . PRO A 1 117 ? -25.485 12.555 6.998   1.00 7.90   ?  117  PRO A HB2  1 
ATOM   1448 H  HB3  . PRO A 1 117 ? -26.093 11.283 6.251   1.00 7.93   ?  117  PRO A HB3  1 
ATOM   1449 H  HG2  . PRO A 1 117 ? -27.535 13.562 7.166   1.00 7.91   ?  117  PRO A HG2  1 
ATOM   1450 H  HG3  . PRO A 1 117 ? -27.612 12.904 5.716   1.00 7.91   ?  117  PRO A HG3  1 
ATOM   1451 H  HD2  . PRO A 1 117 ? -29.365 12.293 7.511   1.00 7.95   ?  117  PRO A HD2  1 
ATOM   1452 H  HD3  . PRO A 1 117 ? -28.925 11.211 6.433   1.00 7.94   ?  117  PRO A HD3  1 
ATOM   1453 N  N    . TYR A 1 118 ? -27.059 12.803 10.071  1.00 6.85   ?  118  TYR A N    1 
ATOM   1454 C  CA   . TYR A 1 118 ? -26.806 13.730 11.139  1.00 6.84   ?  118  TYR A CA   1 
ATOM   1455 C  C    . TYR A 1 118 ? -26.038 13.064 12.279  1.00 7.06   ?  118  TYR A C    1 
ATOM   1456 O  O    . TYR A 1 118 ? -26.282 11.908 12.613  1.00 7.73   ?  118  TYR A O    1 
ATOM   1457 C  CB   . TYR A 1 118 ? -28.111 14.229 11.746  1.00 7.67   ?  118  TYR A CB   1 
ATOM   1458 C  CG   . TYR A 1 118 ? -29.000 15.016 10.821  1.00 7.01   ?  118  TYR A CG   1 
ATOM   1459 C  CD1  . TYR A 1 118 ? -28.543 16.163 10.212  1.00 7.36   ?  118  TYR A CD1  1 
ATOM   1460 C  CD2  . TYR A 1 118 ? -30.299 14.619 10.540  1.00 7.11   ?  118  TYR A CD2  1 
ATOM   1461 C  CE1  . TYR A 1 118 ? -29.363 16.927 9.400   1.00 7.21   ?  118  TYR A CE1  1 
ATOM   1462 C  CE2  . TYR A 1 118 ? -31.141 15.373 9.748   1.00 7.26   ?  118  TYR A CE2  1 
ATOM   1463 C  CZ   . TYR A 1 118 ? -30.640 16.507 9.118   1.00 7.08   ?  118  TYR A CZ   1 
ATOM   1464 O  OH   . TYR A 1 118 ? -31.448 17.270 8.338   1.00 8.05   ?  118  TYR A OH   1 
ATOM   1465 H  H    . TYR A 1 118 ? -27.920 12.694 9.784   1.00 6.94   ?  118  TYR A H    1 
ATOM   1466 H  HA   . TYR A 1 118 ? -26.284 14.498 10.793  1.00 6.94   ?  118  TYR A HA   1 
ATOM   1467 H  HB2  . TYR A 1 118 ? -28.610 13.453 12.075  1.00 7.31   ?  118  TYR A HB2  1 
ATOM   1468 H  HB3  . TYR A 1 118 ? -27.893 14.789 12.519  1.00 7.42   ?  118  TYR A HB3  1 
ATOM   1469 H  HD1  . TYR A 1 118 ? -27.665 16.458 10.387  1.00 7.21   ?  118  TYR A HD1  1 
ATOM   1470 H  HD2  . TYR A 1 118 ? -30.639 13.845 10.957  1.00 7.15   ?  118  TYR A HD2  1 
ATOM   1471 H  HE1  . TYR A 1 118 ? -29.026 17.708 8.993   1.00 7.14   ?  118  TYR A HE1  1 
ATOM   1472 H  HE2  . TYR A 1 118 ? -32.018 15.078 9.567   1.00 7.19   ?  118  TYR A HE2  1 
ATOM   1473 H  HH   . TYR A 1 118 ? -31.159 18.017 8.021   0.00 8.35   ?  118  TYR A HH   1 
ATOM   1474 N  N    . VAL A 1 119 ? -25.213 13.872 12.921  1.00 7.46   ?  119  VAL A N    1 
ATOM   1475 C  CA   . VAL A 1 119 ? -24.583 13.494 14.178  1.00 7.86   ?  119  VAL A CA   1 
ATOM   1476 C  C    . VAL A 1 119 ? -25.197 14.297 15.309  1.00 7.73   ?  119  VAL A C    1 
ATOM   1477 O  O    . VAL A 1 119 ? -25.741 15.386 15.107  1.00 8.12   ?  119  VAL A O    1 
ATOM   1478 C  CB   . VAL A 1 119 ? -23.056 13.680 14.117  1.00 8.14   ?  119  VAL A CB   1 
ATOM   1479 C  CG1  . VAL A 1 119 ? -22.447 12.707 13.121  1.00 8.83   ?  119  VAL A CG1  1 
ATOM   1480 C  CG2  . VAL A 1 119 ? -22.643 15.101 13.815  1.00 8.91   ?  119  VAL A CG2  1 
ATOM   1481 H  H    . VAL A 1 119 ? -25.040 14.699 12.573  1.00 7.37   ?  119  VAL A H    1 
ATOM   1482 H  HA   . VAL A 1 119 ? -24.766 12.552 14.340  1.00 7.86   ?  119  VAL A HA   1 
ATOM   1483 H  HB   . VAL A 1 119 ? -22.700 13.451 15.010  1.00 8.18   ?  119  VAL A HB   1 
ATOM   1484 H  HG11 . VAL A 1 119 ? -22.806 12.883 12.234  1.00 8.69   ?  119  VAL A HG11 1 
ATOM   1485 H  HG12 . VAL A 1 119 ? -22.665 11.795 13.383  1.00 8.63   ?  119  VAL A HG12 1 
ATOM   1486 H  HG13 . VAL A 1 119 ? -21.481 12.817 13.107  1.00 8.64   ?  119  VAL A HG13 1 
ATOM   1487 H  HG21 . VAL A 1 119 ? -21.672 15.164 13.821  1.00 8.67   ?  119  VAL A HG21 1 
ATOM   1488 H  HG22 . VAL A 1 119 ? -23.009 15.699 14.490  1.00 8.76   ?  119  VAL A HG22 1 
ATOM   1489 H  HG23 . VAL A 1 119 ? -22.976 15.359 12.939  1.00 8.74   ?  119  VAL A HG23 1 
ATOM   1490 N  N    . ASP A 1 120 ? -25.103 13.715 16.503  1.00 8.22   ?  120  ASP A N    1 
ATOM   1491 C  CA   . ASP A 1 120 ? -25.584 14.347 17.734  1.00 8.26   ?  120  ASP A CA   1 
ATOM   1492 C  C    . ASP A 1 120 ? -24.421 14.726 18.634  1.00 7.91   ?  120  ASP A C    1 
ATOM   1493 O  O    . ASP A 1 120 ? -23.258 14.682 18.231  1.00 8.68   ?  120  ASP A O    1 
ATOM   1494 C  CB   . ASP A 1 120 ? -26.668 13.518 18.395  1.00 9.16   ?  120  ASP A CB   1 
ATOM   1495 C  CG   . ASP A 1 120 ? -26.218 12.166 18.867  1.00 10.20  ?  120  ASP A CG   1 
ATOM   1496 O  OD1  . ASP A 1 120 ? -24.989 11.922 18.832  1.00 11.64  ?  120  ASP A OD1  1 
ATOM   1497 O  OD2  . ASP A 1 120 ? -27.120 11.386 19.293  1.00 14.52  -1 120  ASP A OD2  1 
ATOM   1498 H  H    . ASP A 1 120 ? -24.718 12.888 16.562  1.00 8.14   ?  120  ASP A H    1 
ATOM   1499 H  HA   . ASP A 1 120 ? -26.018 15.187 17.467  1.00 8.18   ?  120  ASP A HA   1 
ATOM   1500 H  HB2  . ASP A 1 120 ? -27.031 14.007 19.161  1.00 9.02   ?  120  ASP A HB2  1 
ATOM   1501 H  HB3  . ASP A 1 120 ? -27.393 13.385 17.751  1.00 8.98   ?  120  ASP A HB3  1 
ATOM   1502 N  N    . GLY A 1 121 ? -24.762 15.220 19.827  1.00 7.09   ?  121  GLY A N    1 
ATOM   1503 C  CA   . GLY A 1 121 ? -23.789 15.812 20.719  1.00 7.15   ?  121  GLY A CA   1 
ATOM   1504 C  C    . GLY A 1 121 ? -24.081 17.278 21.030  1.00 6.97   ?  121  GLY A C    1 
ATOM   1505 O  O    . GLY A 1 121 ? -23.470 17.864 21.902  1.00 8.16   ?  121  GLY A O    1 
ATOM   1506 H  H    . GLY A 1 121 ? -25.635 15.185 20.097  1.00 7.15   ?  121  GLY A H    1 
ATOM   1507 H  HA2  . GLY A 1 121 ? -23.779 15.297 21.565  1.00 6.98   ?  121  GLY A HA2  1 
ATOM   1508 H  HA3  . GLY A 1 121 ? -22.889 15.740 20.313  1.00 7.04   ?  121  GLY A HA3  1 
ATOM   1509 N  N    . GLN A 1 122 ? -25.071 17.866 20.348  1.00 6.91   ?  122  GLN A N    1 
ATOM   1510 C  CA   . GLN A 1 122 ? -25.417 19.262 20.570  1.00 6.86   ?  122  GLN A CA   1 
ATOM   1511 C  C    . GLN A 1 122 ? -25.966 19.494 21.973  1.00 7.15   ?  122  GLN A C    1 
ATOM   1512 O  O    . GLN A 1 122 ? -25.875 20.625 22.468  1.00 7.16   ?  122  GLN A O    1 
ATOM   1513 C  CB   . GLN A 1 122 ? -26.457 19.735 19.556  1.00 6.71   ?  122  GLN A CB   1 
ATOM   1514 C  CG   . GLN A 1 122 ? -26.070 19.592 18.087  1.00 6.45   ?  122  GLN A CG   1 
ATOM   1515 C  CD   . GLN A 1 122 ? -26.331 18.234 17.501  1.00 6.69   ?  122  GLN A CD   1 
ATOM   1516 O  OE1  . GLN A 1 122 ? -26.673 17.271 18.180  1.00 7.13   ?  122  GLN A OE1  1 
ATOM   1517 N  NE2  . GLN A 1 122 ? -26.172 18.148 16.188  1.00 6.80   ?  122  GLN A NE2  1 
ATOM   1518 H  H    . GLN A 1 122 ? -25.551 17.383 19.740  1.00 6.87   ?  122  GLN A H    1 
ATOM   1519 H  HA   . GLN A 1 122 ? -24.601 19.803 20.460  1.00 6.88   ?  122  GLN A HA   1 
ATOM   1520 H  HB2  . GLN A 1 122 ? -27.285 19.234 19.713  1.00 6.70   ?  122  GLN A HB2  1 
ATOM   1521 H  HB3  . GLN A 1 122 ? -26.648 20.679 19.737  1.00 6.67   ?  122  GLN A HB3  1 
ATOM   1522 H  HG2  . GLN A 1 122 ? -26.565 20.259 17.565  1.00 6.54   ?  122  GLN A HG2  1 
ATOM   1523 H  HG3  . GLN A 1 122 ? -25.116 19.796 17.993  1.00 6.53   ?  122  GLN A HG3  1 
ATOM   1524 H  HE21 . GLN A 1 122 ? -25.950 18.865 15.721  1.00 6.76   ?  122  GLN A HE21 1 
ATOM   1525 H  HE22 . GLN A 1 122 ? -26.287 17.373 15.779  1.00 6.74   ?  122  GLN A HE22 1 
ATOM   1526 N  N    . LEU A 1 123 ? -26.648 18.488 22.551  1.00 7.72   ?  123  LEU A N    1 
ATOM   1527 C  CA   . LEU A 1 123 ? -27.323 18.725 23.838  1.00 7.99   ?  123  LEU A CA   1 
ATOM   1528 C  C    . LEU A 1 123 ? -26.336 19.158 24.924  1.00 7.48   ?  123  LEU A C    1 
ATOM   1529 O  O    . LEU A 1 123 ? -26.667 19.990 25.764  1.00 8.31   ?  123  LEU A O    1 
ATOM   1530 C  CB   . LEU A 1 123 ? -28.115 17.490 24.289  1.00 8.02   ?  123  LEU A CB   1 
ATOM   1531 C  CG   . LEU A 1 123 ? -29.340 17.201 23.442  1.00 8.01   ?  123  LEU A CG   1 
ATOM   1532 C  CD1  . LEU A 1 123 ? -29.962 15.873 23.841  1.00 8.71   ?  123  LEU A CD1  1 
ATOM   1533 C  CD2  . LEU A 1 123 ? -30.362 18.294 23.484  1.00 8.98   ?  123  LEU A CD2  1 
ATOM   1534 H  H    . LEU A 1 123 ? -26.702 17.666 22.155  1.00 7.55   ?  123  LEU A H    1 
ATOM   1535 H  HA   . LEU A 1 123 ? -27.955 19.467 23.703  1.00 7.84   ?  123  LEU A HA   1 
ATOM   1536 H  HB2  . LEU A 1 123 ? -27.522 16.713 24.262  1.00 8.01   ?  123  LEU A HB2  1 
ATOM   1537 H  HB3  . LEU A 1 123 ? -28.397 17.620 25.216  1.00 8.01   ?  123  LEU A HB3  1 
ATOM   1538 H  HG   . LEU A 1 123 ? -29.038 17.116 22.505  1.00 8.14   ?  123  LEU A HG   1 
ATOM   1539 H  HD11 . LEU A 1 123 ? -30.611 15.603 23.169  1.00 8.51   ?  123  LEU A HD11 1 
ATOM   1540 H  HD12 . LEU A 1 123 ? -30.407 15.969 24.701  1.00 8.56   ?  123  LEU A HD12 1 
ATOM   1541 H  HD13 . LEU A 1 123 ? -29.267 15.196 23.911  1.00 8.50   ?  123  LEU A HD13 1 
ATOM   1542 H  HD21 . LEU A 1 123 ? -30.026 19.074 23.008  1.00 8.72   ?  123  LEU A HD21 1 
ATOM   1543 H  HD22 . LEU A 1 123 ? -30.544 18.533 24.410  1.00 8.80   ?  123  LEU A HD22 1 
ATOM   1544 H  HD23 . LEU A 1 123 ? -31.183 17.987 23.061  1.00 8.67   ?  123  LEU A HD23 1 
ATOM   1545 N  N    . GLU A 1 124 ? -25.120 18.612 24.918  1.00 7.67   ?  124  GLU A N    1 
ATOM   1546 C  CA   . GLU A 1 124 ? -24.130 19.049 25.886  1.00 8.23   ?  124  GLU A CA   1 
ATOM   1547 C  C    . GLU A 1 124 ? -23.864 20.542 25.789  1.00 7.44   ?  124  GLU A C    1 
ATOM   1548 O  O    . GLU A 1 124 ? -23.604 21.227 26.793  1.00 7.78   ?  124  GLU A O    1 
ATOM   1549 C  CB   . GLU A 1 124 ? -22.862 18.240 25.709  1.00 10.11  ?  124  GLU A CB   1 
ATOM   1550 C  CG   . GLU A 1 124 ? -22.905 16.900 26.406  1.00 13.28  ?  124  GLU A CG   1 
ATOM   1551 C  CD   . GLU A 1 124 ? -23.794 15.841 25.781  1.00 15.15  ?  124  GLU A CD   1 
ATOM   1552 O  OE1  . GLU A 1 124 ? -24.177 15.905 24.537  1.00 14.53  ?  124  GLU A OE1  1 
ATOM   1553 O  OE2  . GLU A 1 124 ? -24.123 14.927 26.554  1.00 18.11  -1 124  GLU A OE2  1 
ATOM   1554 H  H    . GLU A 1 124 ? -24.905 17.964 24.311  1.00 7.75   ?  124  GLU A H    1 
ATOM   1555 H  HA   . GLU A 1 124 ? -24.489 18.863 26.784  1.00 8.00   ?  124  GLU A HA   1 
ATOM   1556 H  HB2  . GLU A 1 124 ? -22.707 18.099 24.752  1.00 10.00  ?  124  GLU A HB2  1 
ATOM   1557 H  HB3  . GLU A 1 124 ? -22.110 18.757 26.063  1.00 9.82   ?  124  GLU A HB3  1 
ATOM   1558 H  HG2  . GLU A 1 124 ? -21.993 16.542 26.448  1.00 12.69  ?  124  GLU A HG2  1 
ATOM   1559 H  HG3  . GLU A 1 124 ? -23.203 17.039 27.331  1.00 12.72  ?  124  GLU A HG3  1 
ATOM   1560 N  N    . TYR A 1 125 ? -23.889 21.067 24.572  1.00 7.74   ?  125  TYR A N    1 
ATOM   1561 C  CA   . TYR A 1 125 ? -23.641 22.477 24.334  1.00 8.13   ?  125  TYR A CA   1 
ATOM   1562 C  C    . TYR A 1 125 ? -24.850 23.333 24.673  1.00 7.66   ?  125  TYR A C    1 
ATOM   1563 O  O    . TYR A 1 125 ? -24.699 24.417 25.250  1.00 7.60   ?  125  TYR A O    1 
ATOM   1564 C  CB   . TYR A 1 125 ? -23.162 22.658 22.874  1.00 8.19   ?  125  TYR A CB   1 
ATOM   1565 C  CG   . TYR A 1 125 ? -21.796 22.035 22.713  1.00 8.45   ?  125  TYR A CG   1 
ATOM   1566 C  CD1  . TYR A 1 125 ? -20.663 22.700 23.121  1.00 8.64   ?  125  TYR A CD1  1 
ATOM   1567 C  CD2  . TYR A 1 125 ? -21.622 20.727 22.308  1.00 8.60   ?  125  TYR A CD2  1 
ATOM   1568 C  CE1  . TYR A 1 125 ? -19.397 22.126 23.084  1.00 10.13  ?  125  TYR A CE1  1 
ATOM   1569 C  CE2  . TYR A 1 125 ? -20.369 20.127 22.275  1.00 9.59   ?  125  TYR A CE2  1 
ATOM   1570 C  CZ   . TYR A 1 125 ? -19.253 20.812 22.685  1.00 10.52  ?  125  TYR A CZ   1 
ATOM   1571 O  OH   . TYR A 1 125 ? -17.996 20.275 22.673  1.00 13.39  ?  125  TYR A OH   1 
ATOM   1572 H  H    . TYR A 1 125 ? -24.056 20.526 23.855  1.00 7.76   ?  125  TYR A H    1 
ATOM   1573 H  HA   . TYR A 1 125 ? -22.901 22.760 24.930  1.00 7.94   ?  125  TYR A HA   1 
ATOM   1574 H  HB2  . TYR A 1 125 ? -23.798 22.228 22.265  1.00 8.20   ?  125  TYR A HB2  1 
ATOM   1575 H  HB3  . TYR A 1 125 ? -23.119 23.613 22.661  1.00 8.19   ?  125  TYR A HB3  1 
ATOM   1576 H  HD1  . TYR A 1 125 ? -20.748 23.584 23.437  1.00 8.79   ?  125  TYR A HD1  1 
ATOM   1577 H  HD2  . TYR A 1 125 ? -22.377 20.222 22.059  1.00 8.61   ?  125  TYR A HD2  1 
ATOM   1578 H  HE1  . TYR A 1 125 ? -18.645 22.617 23.370  1.00 9.63   ?  125  TYR A HE1  1 
ATOM   1579 H  HE2  . TYR A 1 125 ? -20.285 19.234 21.984  1.00 9.33   ?  125  TYR A HE2  1 
ATOM   1580 H  HH   . TYR A 1 125 ? -17.322 20.752 22.894  0.00 14.10  ?  125  TYR A HH   1 
ATOM   1581 N  N    . LEU A 1 126 ? -26.050 22.838 24.378  1.00 7.87   ?  126  LEU A N    1 
ATOM   1582 C  CA   . LEU A 1 126 ? -27.243 23.565 24.800  1.00 7.54   ?  126  LEU A CA   1 
ATOM   1583 C  C    . LEU A 1 126 ? -27.326 23.570 26.332  1.00 7.10   ?  126  LEU A C    1 
ATOM   1584 O  O    . LEU A 1 126 ? -27.723 24.580 26.918  1.00 6.92   ?  126  LEU A O    1 
ATOM   1585 C  CB   . LEU A 1 126 ? -28.484 22.932 24.185  1.00 7.89   ?  126  LEU A CB   1 
ATOM   1586 C  CG   . LEU A 1 126 ? -29.828 23.589 24.516  1.00 7.99   ?  126  LEU A CG   1 
ATOM   1587 C  CD1  . LEU A 1 126 ? -29.814 25.082 24.281  1.00 8.81   ?  126  LEU A CD1  1 
ATOM   1588 C  CD2  . LEU A 1 126 ? -30.952 22.888 23.751  1.00 8.66   ?  126  LEU A CD2  1 
ATOM   1589 H  H    . LEU A 1 126 ? -26.135 22.057 23.911  1.00 7.73   ?  126  LEU A H    1 
ATOM   1590 H  HA   . LEU A 1 126 ? -27.162 24.494 24.487  1.00 7.55   ?  126  LEU A HA   1 
ATOM   1591 H  HB2  . LEU A 1 126 ? -28.374 22.934 23.213  1.00 7.82   ?  126  LEU A HB2  1 
ATOM   1592 H  HB3  . LEU A 1 126 ? -28.521 21.998 24.471  1.00 7.82   ?  126  LEU A HB3  1 
ATOM   1593 H  HG   . LEU A 1 126 ? -29.996 23.447 25.479  1.00 8.08   ?  126  LEU A HG   1 
ATOM   1594 H  HD11 . LEU A 1 126 ? -30.683 25.455 24.515  1.00 8.59   ?  126  LEU A HD11 1 
ATOM   1595 H  HD12 . LEU A 1 126 ? -29.628 25.262 23.342  1.00 8.70   ?  126  LEU A HD12 1 
ATOM   1596 H  HD13 . LEU A 1 126 ? -29.127 25.496 24.833  1.00 8.58   ?  126  LEU A HD13 1 
ATOM   1597 H  HD21 . LEU A 1 126 ? -30.908 21.930 23.914  1.00 8.48   ?  126  LEU A HD21 1 
ATOM   1598 H  HD22 . LEU A 1 126 ? -30.853 23.059 22.798  1.00 8.54   ?  126  LEU A HD22 1 
ATOM   1599 H  HD23 . LEU A 1 126 ? -31.812 23.229 24.053  1.00 8.49   ?  126  LEU A HD23 1 
ATOM   1600 N  N    . ASP A 1 127 ? -26.887 22.498 27.012  1.00 7.36   ?  127  ASP A N    1 
ATOM   1601 C  CA   . ASP A 1 127 ? -26.813 22.499 28.474  1.00 7.62   ?  127  ASP A CA   1 
ATOM   1602 C  C    . ASP A 1 127 ? -25.925 23.642 28.946  1.00 7.45   ?  127  ASP A C    1 
ATOM   1603 O  O    . ASP A 1 127 ? -26.274 24.370 29.893  1.00 7.76   ?  127  ASP A O    1 
ATOM   1604 C  CB   . ASP A 1 127 ? -26.275 21.187 29.029  1.00 7.44   ?  127  ASP A CB   1 
ATOM   1605 C  CG   . ASP A 1 127 ? -27.120 19.943 28.809  1.00 7.77   ?  127  ASP A CG   1 
ATOM   1606 O  OD1  . ASP A 1 127 ? -28.292 20.069 28.447  1.00 7.66   ?  127  ASP A OD1  1 
ATOM   1607 O  OD2  . ASP A 1 127 ? -26.583 18.849 29.023  1.00 10.16  -1 127  ASP A OD2  1 
ATOM   1608 H  H    . ASP A 1 127 ? -26.634 21.747 26.557  1.00 7.35   ?  127  ASP A H    1 
ATOM   1609 H  HA   . ASP A 1 127 ? -27.722 22.640 28.830  1.00 7.51   ?  127  ASP A HA   1 
ATOM   1610 H  HB2  . ASP A 1 127 ? -25.396 21.022 28.632  1.00 7.53   ?  127  ASP A HB2  1 
ATOM   1611 H  HB3  . ASP A 1 127 ? -26.151 21.291 29.995  1.00 7.53   ?  127  ASP A HB3  1 
ATOM   1612 N  N    . LYS A 1 128 ? -24.764 23.791 28.328  1.00 7.45   ?  128  LYS A N    1 
ATOM   1613 C  CA   . LYS A 1 128 ? -23.883 24.874 28.686  1.00 7.96   ?  128  LYS A CA   1 
ATOM   1614 C  C    . LYS A 1 128 ? -24.538 26.214 28.445  1.00 7.26   ?  128  LYS A C    1 
ATOM   1615 O  O    . LYS A 1 128 ? -24.385 27.133 29.230  1.00 7.85   ?  128  LYS A O    1 
ATOM   1616 C  CB   . LYS A 1 128 ? -22.574 24.840 27.910  1.00 8.82   ?  128  LYS A CB   1 
ATOM   1617 C  CG   . LYS A 1 128 ? -21.665 23.678 28.196  1.00 11.28  ?  128  LYS A CG   1 
ATOM   1618 C  CD   . LYS A 1 128 ? -20.431 23.658 27.274  1.00 14.89  ?  128  LYS A CD   1 
ATOM   1619 C  CE   . LYS A 1 128 ? -19.586 22.409 27.349  1.00 19.54  ?  128  LYS A CE   1 
ATOM   1620 N  NZ   . LYS A 1 128 ? -18.277 22.587 26.668  1.00 22.62  1  128  LYS A NZ   1 
ATOM   1621 H  H    . LYS A 1 128 ? -24.510 23.205 27.674  1.00 7.52   ?  128  LYS A H    1 
ATOM   1622 H  HA   . LYS A 1 128 ? -23.679 24.797 29.646  1.00 7.74   ?  128  LYS A HA   1 
ATOM   1623 H  HB2  . LYS A 1 128 ? -22.784 24.838 26.953  1.00 8.88   ?  128  LYS A HB2  1 
ATOM   1624 H  HB3  . LYS A 1 128 ? -22.083 25.667 28.101  1.00 8.84   ?  128  LYS A HB3  1 
ATOM   1625 H  HG2  . LYS A 1 128 ? -21.368 23.728 29.130  1.00 11.07  ?  128  LYS A HG2  1 
ATOM   1626 H  HG3  . LYS A 1 128 ? -22.166 22.844 28.082  1.00 10.88  ?  128  LYS A HG3  1 
ATOM   1627 H  HD2  . LYS A 1 128 ? -20.733 23.773 26.348  1.00 14.29  ?  128  LYS A HD2  1 
ATOM   1628 H  HD3  . LYS A 1 128 ? -19.865 24.428 27.496  1.00 14.32  ?  128  LYS A HD3  1 
ATOM   1629 H  HE2  . LYS A 1 128 ? -19.429 22.177 28.284  1.00 18.80  ?  128  LYS A HE2  1 
ATOM   1630 H  HE3  . LYS A 1 128 ? -20.063 21.668 26.929  1.00 18.65  ?  128  LYS A HE3  1 
ATOM   1631 H  HZ1  . LYS A 1 128 ? -17.814 23.259 27.064  1.00 21.76  ?  128  LYS A HZ1  1 
ATOM   1632 H  HZ2  . LYS A 1 128 ? -18.409 22.792 25.795  1.00 21.74  ?  128  LYS A HZ2  1 
ATOM   1633 H  HZ3  . LYS A 1 128 ? -17.795 21.821 26.724  1.00 21.72  ?  128  LYS A HZ3  1 
ATOM   1634 N  N    . ALA A 1 129 ? -25.212 26.382 27.320  1.00 7.35   ?  129  ALA A N    1 
ATOM   1635 C  CA   . ALA A 1 129 ? -25.852 27.658 27.036  1.00 7.20   ?  129  ALA A CA   1 
ATOM   1636 C  C    . ALA A 1 129 ? -26.862 28.026 28.099  1.00 7.04   ?  129  ALA A C    1 
ATOM   1637 O  O    . ALA A 1 129 ? -26.957 29.200 28.461  1.00 7.18   ?  129  ALA A O    1 
ATOM   1638 C  CB   . ALA A 1 129 ? -26.547 27.617 25.680  1.00 7.82   ?  129  ALA A CB   1 
ATOM   1639 H  H    . ALA A 1 129 ? -25.276 25.702 26.712  1.00 7.29   ?  129  ALA A H    1 
ATOM   1640 H  HA   . ALA A 1 129 ? -25.156 28.357 27.013  1.00 7.28   ?  129  ALA A HA   1 
ATOM   1641 H  HB1  . ALA A 1 129 ? -27.037 28.445 25.540  1.00 7.65   ?  129  ALA A HB1  1 
ATOM   1642 H  HB2  . ALA A 1 129 ? -25.883 27.513 24.978  1.00 7.61   ?  129  ALA A HB2  1 
ATOM   1643 H  HB3  . ALA A 1 129 ? -27.165 26.868 25.653  1.00 7.65   ?  129  ALA A HB3  1 
ATOM   1644 N  N    . VAL A 1 130 ? -27.637 27.058 28.582  1.00 6.98   ?  130  VAL A N    1 
ATOM   1645 C  CA   . VAL A 1 130 ? -28.605 27.365 29.640  1.00 7.69   ?  130  VAL A CA   1 
ATOM   1646 C  C    . VAL A 1 130 ? -27.887 27.862 30.888  1.00 7.59   ?  130  VAL A C    1 
ATOM   1647 O  O    . VAL A 1 130 ? -28.338 28.825 31.513  1.00 7.79   ?  130  VAL A O    1 
ATOM   1648 C  CB   . VAL A 1 130 ? -29.540 26.166 29.843  1.00 7.96   ?  130  VAL A CB   1 
ATOM   1649 C  CG1  . VAL A 1 130 ? -30.406 26.345 31.072  1.00 9.31   ?  130  VAL A CG1  1 
ATOM   1650 C  CG2  . VAL A 1 130 ? -30.419 25.946 28.622  1.00 7.86   ?  130  VAL A CG2  1 
ATOM   1651 H  H    . VAL A 1 130 ? -27.573 26.205 28.261  1.00 7.06   ?  130  VAL A H    1 
ATOM   1652 H  HA   . VAL A 1 130 ? -29.155 28.102 29.317  1.00 7.55   ?  130  VAL A HA   1 
ATOM   1653 H  HB   . VAL A 1 130 ? -28.981 25.361 29.972  1.00 8.04   ?  130  VAL A HB   1 
ATOM   1654 H  HG11 . VAL A 1 130 ? -30.811 27.230 31.059  1.00 8.95   ?  130  VAL A HG11 1 
ATOM   1655 H  HG12 . VAL A 1 130 ? -29.861 26.250 31.873  1.00 9.02   ?  130  VAL A HG12 1 
ATOM   1656 H  HG13 . VAL A 1 130 ? -31.106 25.669 31.077  1.00 8.98   ?  130  VAL A HG13 1 
ATOM   1657 H  HG21 . VAL A 1 130 ? -30.996 25.177 28.771  1.00 7.88   ?  130  VAL A HG21 1 
ATOM   1658 H  HG22 . VAL A 1 130 ? -29.861 25.784 27.842  1.00 7.83   ?  130  VAL A HG22 1 
ATOM   1659 H  HG23 . VAL A 1 130 ? -30.967 26.736 28.469  1.00 7.89   ?  130  VAL A HG23 1 
ATOM   1660 N  N    . GLU A 1 131 ? -26.780 27.216 31.235  1.00 7.91   ?  131  GLU A N    1 
ATOM   1661 C  CA   . GLU A 1 131 ? -25.999 27.632 32.399  1.00 9.28   ?  131  GLU A CA   1 
ATOM   1662 C  C    . GLU A 1 131 ? -25.470 29.036 32.178  1.00 8.61   ?  131  GLU A C    1 
ATOM   1663 O  O    . GLU A 1 131 ? -25.551 29.917 33.035  1.00 9.17   ?  131  GLU A O    1 
ATOM   1664 C  CB   . GLU A 1 131 ? -24.854 26.652 32.636  1.00 10.65  ?  131  GLU A CB   1 
ATOM   1665 C  CG   . GLU A 1 131 ? -23.981 27.032 33.812  1.00 14.85  ?  131  GLU A CG   1 
ATOM   1666 C  CD   . GLU A 1 131 ? -22.738 26.172 33.945  1.00 23.05  ?  131  GLU A CD   1 
ATOM   1667 O  OE1  . GLU A 1 131 ? -22.713 25.108 33.326  1.00 29.97  ?  131  GLU A OE1  1 
ATOM   1668 O  OE2  . GLU A 1 131 ? -21.768 26.615 34.579  1.00 34.40  -1 131  GLU A OE2  1 
ATOM   1669 H  H    . GLU A 1 131 ? -26.501 26.496 30.747  1.00 8.01   ?  131  GLU A H    1 
ATOM   1670 H  HA   . GLU A 1 131 ? -26.589 27.634 33.188  1.00 9.01   ?  131  GLU A HA   1 
ATOM   1671 H  HB2  . GLU A 1 131 ? -25.230 25.760 32.792  1.00 10.64  ?  131  GLU A HB2  1 
ATOM   1672 H  HB3  . GLU A 1 131 ? -24.302 26.610 31.828  1.00 10.58  ?  131  GLU A HB3  1 
ATOM   1673 H  HG2  . GLU A 1 131 ? -23.703 27.967 33.719  1.00 14.20  ?  131  GLU A HG2  1 
ATOM   1674 H  HG3  . GLU A 1 131 ? -24.504 26.956 34.638  1.00 14.33  ?  131  GLU A HG3  1 
ATOM   1675 N  N    . TRP A 1 132 ? -24.858 29.278 31.013  1.00 8.28   ?  132  TRP A N    1 
ATOM   1676 C  CA   . TRP A 1 132 ? -24.200 30.539 30.734  1.00 7.86   ?  132  TRP A CA   1 
ATOM   1677 C  C    . TRP A 1 132 ? -25.214 31.676 30.621  1.00 7.47   ?  132  TRP A C    1 
ATOM   1678 O  O    . TRP A 1 132 ? -24.973 32.787 31.091  1.00 8.56   ?  132  TRP A O    1 
ATOM   1679 C  CB   . TRP A 1 132 ? -23.422 30.446 29.444  1.00 8.16   ?  132  TRP A CB   1 
ATOM   1680 C  CG   . TRP A 1 132 ? -22.241 29.549 29.533  1.00 8.70   ?  132  TRP A CG   1 
ATOM   1681 C  CD1  . TRP A 1 132 ? -21.559 29.159 30.632  1.00 9.80   ?  132  TRP A CD1  1 
ATOM   1682 C  CD2  . TRP A 1 132 ? -21.617 28.886 28.420  1.00 8.98   ?  132  TRP A CD2  1 
ATOM   1683 N  NE1  . TRP A 1 132 ? -20.508 28.371 30.286  1.00 10.43  ?  132  TRP A NE1  1 
ATOM   1684 C  CE2  . TRP A 1 132 ? -20.514 28.178 28.933  1.00 9.40   ?  132  TRP A CE2  1 
ATOM   1685 C  CE3  . TRP A 1 132 ? -21.870 28.835 27.052  1.00 9.16   ?  132  TRP A CE3  1 
ATOM   1686 C  CZ2  . TRP A 1 132 ? -19.666 27.438 28.101  1.00 10.07  ?  132  TRP A CZ2  1 
ATOM   1687 C  CZ3  . TRP A 1 132 ? -21.036 28.104 26.241  1.00 9.73   ?  132  TRP A CZ3  1 
ATOM   1688 C  CH2  . TRP A 1 132 ? -19.940 27.419 26.756  1.00 9.47   ?  132  TRP A CH2  1 
ATOM   1689 H  H    . TRP A 1 132 ? -24.851 28.628 30.371  1.00 8.24   ?  132  TRP A H    1 
ATOM   1690 H  HA   . TRP A 1 132 ? -23.573 30.735 31.468  1.00 7.85   ?  132  TRP A HA   1 
ATOM   1691 H  HB2  . TRP A 1 132 ? -24.022 30.122 28.742  1.00 8.14   ?  132  TRP A HB2  1 
ATOM   1692 H  HB3  . TRP A 1 132 ? -23.125 31.346 29.195  1.00 8.13   ?  132  TRP A HB3  1 
ATOM   1693 H  HD1  . TRP A 1 132 ? -21.723 29.468 31.509  1.00 9.68   ?  132  TRP A HD1  1 
ATOM   1694 H  HE1  . TRP A 1 132 ? -19.924 28.033 30.846  1.00 9.84   ?  132  TRP A HE1  1 
ATOM   1695 H  HE3  . TRP A 1 132 ? -22.578 29.335 26.681  1.00 9.22   ?  132  TRP A HE3  1 
ATOM   1696 H  HZ2  . TRP A 1 132 ? -18.954 26.938 28.460  1.00 9.72   ?  132  TRP A HZ2  1 
ATOM   1697 H  HZ3  . TRP A 1 132 ? -21.190 28.092 25.310  1.00 9.59   ?  132  TRP A HZ3  1 
ATOM   1698 H  HH2  . TRP A 1 132 ? -19.400 26.906 26.180  1.00 9.58   ?  132  TRP A HH2  1 
ATOM   1699 N  N    . ALA A 1 133 ? -26.350 31.423 29.994  1.00 7.65   ?  133  ALA A N    1 
ATOM   1700 C  CA   . ALA A 1 133 ? -27.424 32.395 29.918  1.00 8.09   ?  133  ALA A CA   1 
ATOM   1701 C  C    . ALA A 1 133 ? -27.866 32.783 31.342  1.00 8.11   ?  133  ALA A C    1 
ATOM   1702 O  O    . ALA A 1 133 ? -28.083 33.952 31.661  1.00 9.42   ?  133  ALA A O    1 
ATOM   1703 C  CB   . ALA A 1 133 ? -28.580 31.840 29.130  1.00 8.30   ?  133  ALA A CB   1 
ATOM   1704 H  H    . ALA A 1 133 ? -26.463 30.612 29.588  1.00 7.62   ?  133  ALA A H    1 
ATOM   1705 H  HA   . ALA A 1 133 ? -27.086 33.201 29.463  1.00 7.96   ?  133  ALA A HA   1 
ATOM   1706 H  HB1  . ALA A 1 133 ? -29.291 32.501 29.087  1.00 8.16   ?  133  ALA A HB1  1 
ATOM   1707 H  HB2  . ALA A 1 133 ? -28.285 31.623 28.230  1.00 8.30   ?  133  ALA A HB2  1 
ATOM   1708 H  HB3  . ALA A 1 133 ? -28.913 31.036 29.563  1.00 8.22   ?  133  ALA A HB3  1 
ATOM   1709 N  N    . GLY A 1 134 ? -28.153 31.775 32.173  1.00 8.96   ?  134  GLY A N    1 
ATOM   1710 C  CA   . GLY A 1 134 ? -28.560 32.043 33.550  1.00 9.94   ?  134  GLY A CA   1 
ATOM   1711 C  C    . GLY A 1 134 ? -27.548 32.923 34.270  1.00 10.49  ?  134  GLY A C    1 
ATOM   1712 O  O    . GLY A 1 134 ? -27.905 33.851 35.001  1.00 11.85  ?  134  GLY A O    1 
ATOM   1713 H  H    . GLY A 1 134 ? -28.100 30.910 31.883  1.00 8.90   ?  134  GLY A H    1 
ATOM   1714 H  HA2  . GLY A 1 134 ? -29.441 32.492 33.545  1.00 9.80   ?  134  GLY A HA2  1 
ATOM   1715 H  HA3  . GLY A 1 134 ? -28.652 31.185 34.034  1.00 9.84   ?  134  GLY A HA3  1 
ATOM   1716 N  N    . ALA A 1 135 ? -26.262 32.597 34.121  1.00 10.12  ?  135  ALA A N    1 
ATOM   1717 C  CA   . ALA A 1 135 ? -25.221 33.351 34.789  1.00 10.60  ?  135  ALA A CA   1 
ATOM   1718 C  C    . ALA A 1 135 ? -25.222 34.816 34.369  1.00 10.91  ?  135  ALA A C    1 
ATOM   1719 O  O    . ALA A 1 135 ? -24.868 35.701 35.132  1.00 12.73  ?  135  ALA A O    1 
ATOM   1720 C  CB   . ALA A 1 135 ? -23.883 32.672 34.580  1.00 11.92  ?  135  ALA A CB   1 
ATOM   1721 H  H    . ALA A 1 135 ? -26.029 31.886 33.595  1.00 10.26  ?  135  ALA A H    1 
ATOM   1722 H  HA   . ALA A 1 135 ? -25.417 33.326 35.755  1.00 10.58  ?  135  ALA A HA   1 
ATOM   1723 H  HB1  . ALA A 1 135 ? -23.188 33.177 35.035  1.00 11.56  ?  135  ALA A HB1  1 
ATOM   1724 H  HB2  . ALA A 1 135 ? -23.916 31.770 34.941  1.00 11.58  ?  135  ALA A HB2  1 
ATOM   1725 H  HB3  . ALA A 1 135 ? -23.684 32.632 33.630  1.00 11.83  ?  135  ALA A HB3  1 
ATOM   1726 N  N    . ALA A 1 136 ? -25.561 35.058 33.107  1.00 9.92   ?  136  ALA A N    1 
ATOM   1727 C  CA   . ALA A 1 136 ? -25.595 36.399 32.551  1.00 9.68   ?  136  ALA A CA   1 
ATOM   1728 C  C    . ALA A 1 136 ? -26.938 37.099 32.755  1.00 9.18   ?  136  ALA A C    1 
ATOM   1729 O  O    . ALA A 1 136 ? -27.076 38.239 32.357  1.00 11.98  ?  136  ALA A O    1 
ATOM   1730 C  CB   . ALA A 1 136 ? -25.299 36.314 31.079  1.00 9.59   ?  136  ALA A CB   1 
ATOM   1731 H  H    . ALA A 1 136 ? -25.769 34.356 32.560  1.00 10.01  ?  136  ALA A H    1 
ATOM   1732 H  HA   . ALA A 1 136 ? -24.892 36.939 32.983  1.00 9.60   ?  136  ALA A HA   1 
ATOM   1733 H  HB1  . ALA A 1 136 ? -25.281 37.208 30.697  1.00 9.61   ?  136  ALA A HB1  1 
ATOM   1734 H  HB2  . ALA A 1 136 ? -24.435 35.889 30.945  1.00 9.59   ?  136  ALA A HB2  1 
ATOM   1735 H  HB3  . ALA A 1 136 ? -25.988 35.789 30.638  1.00 9.64   ?  136  ALA A HB3  1 
ATOM   1736 N  N    . GLY A 1 137 ? -27.910 36.445 33.380  1.00 8.82   ?  137  GLY A N    1 
ATOM   1737 C  CA   . GLY A 1 137 ? -29.201 37.032 33.667  1.00 9.20   ?  137  GLY A CA   1 
ATOM   1738 C  C    . GLY A 1 137 ? -30.203 36.975 32.526  1.00 9.06   ?  137  GLY A C    1 
ATOM   1739 O  O    . GLY A 1 137 ? -31.174 37.739 32.547  1.00 11.60  ?  137  GLY A O    1 
ATOM   1740 H  H    . GLY A 1 137 ? -27.766 35.580 33.636  1.00 8.92   ?  137  GLY A H    1 
ATOM   1741 H  HA2  . GLY A 1 137 ? -29.587 36.566 34.451  1.00 9.09   ?  137  GLY A HA2  1 
ATOM   1742 H  HA3  . GLY A 1 137 ? -29.065 37.978 33.929  1.00 9.10   ?  137  GLY A HA3  1 
ATOM   1743 N  N    . LEU A 1 138 ? -29.972 36.110 31.541  1.00 8.27   ?  138  LEU A N    1 
ATOM   1744 C  CA   . LEU A 1 138 ? -30.783 36.013 30.335  1.00 7.61   ?  138  LEU A CA   1 
ATOM   1745 C  C    . LEU A 1 138 ? -31.756 34.842 30.450  1.00 7.20   ?  138  LEU A C    1 
ATOM   1746 O  O    . LEU A 1 138 ? -31.452 33.859 31.084  1.00 8.65   ?  138  LEU A O    1 
ATOM   1747 C  CB   . LEU A 1 138 ? -29.898 35.778 29.109  1.00 7.94   ?  138  LEU A CB   1 
ATOM   1748 C  CG   . LEU A 1 138 ? -28.849 36.868 28.856  1.00 9.14   ?  138  LEU A CG   1 
ATOM   1749 C  CD1  . LEU A 1 138 ? -27.865 36.449 27.825  1.00 10.43  ?  138  LEU A CD1  1 
ATOM   1750 C  CD2  . LEU A 1 138 ? -29.516 38.159 28.491  1.00 10.74  ?  138  LEU A CD2  1 
ATOM   1751 H  H    . LEU A 1 138 ? -29.266 35.536 31.626  1.00 8.23   ?  138  LEU A H    1 
ATOM   1752 H  HA   . LEU A 1 138 ? -31.294 36.847 30.224  1.00 7.65   ?  138  LEU A HA   1 
ATOM   1753 H  HB2  . LEU A 1 138 ? -29.439 34.921 29.219  1.00 7.98   ?  138  LEU A HB2  1 
ATOM   1754 H  HB3  . LEU A 1 138 ? -30.472 35.708 28.320  1.00 8.03   ?  138  LEU A HB3  1 
ATOM   1755 H  HG   . LEU A 1 138 ? -28.355 37.014 29.700  1.00 9.10   ?  138  LEU A HG   1 
ATOM   1756 H  HD11 . LEU A 1 138 ? -27.113 37.065 27.825  1.00 10.03  ?  138  LEU A HD11 1 
ATOM   1757 H  HD12 . LEU A 1 138 ? -28.289 36.455 26.950  1.00 10.20  ?  138  LEU A HD12 1 
ATOM   1758 H  HD13 . LEU A 1 138 ? -27.548 35.551 28.025  1.00 10.01  ?  138  LEU A HD13 1 
ATOM   1759 H  HD21 . LEU A 1 138 ? -30.013 38.498 29.256  1.00 10.33  ?  138  LEU A HD21 1 
ATOM   1760 H  HD22 . LEU A 1 138 ? -30.127 38.010 27.748  1.00 10.40  ?  138  LEU A HD22 1 
ATOM   1761 H  HD23 . LEU A 1 138 ? -28.842 38.810 28.229  1.00 10.24  ?  138  LEU A HD23 1 
ATOM   1762 N  N    . LYS A 1 139 ? -32.882 34.965 29.781  1.00 7.25   ?  139  LYS A N    1 
ATOM   1763 C  CA   . LYS A 1 139 ? -33.737 33.827 29.540  1.00 7.64   ?  139  LYS A CA   1 
ATOM   1764 C  C    . LYS A 1 139 ? -33.381 33.187 28.193  1.00 7.66   ?  139  LYS A C    1 
ATOM   1765 O  O    . LYS A 1 139 ? -32.847 33.847 27.272  1.00 8.24   ?  139  LYS A O    1 
ATOM   1766 C  CB   . LYS A 1 139 ? -35.200 34.268 29.456  1.00 8.60   ?  139  LYS A CB   1 
ATOM   1767 C  CG   . LYS A 1 139 ? -35.757 34.876 30.713  1.00 10.31  ?  139  LYS A CG   1 
ATOM   1768 C  CD   . LYS A 1 139 ? -35.690 33.959 31.880  1.00 12.22  ?  139  LYS A CD   1 
ATOM   1769 C  CE   . LYS A 1 139 ? -36.580 34.457 33.003  1.00 14.59  ?  139  LYS A CE   1 
ATOM   1770 N  NZ   . LYS A 1 139 ? -36.473 33.575 34.159  1.00 17.74  1  139  LYS A NZ   1 
ATOM   1771 H  H    . LYS A 1 139 ? -33.133 35.783 29.461  1.00 7.28   ?  139  LYS A H    1 
ATOM   1772 H  HA   . LYS A 1 139 ? -33.626 33.169 30.263  1.00 7.66   ?  139  LYS A HA   1 
ATOM   1773 H  HB2  . LYS A 1 139 ? -35.284 34.922 28.730  1.00 8.54   ?  139  LYS A HB2  1 
ATOM   1774 H  HB3  . LYS A 1 139 ? -35.745 33.489 29.219  1.00 8.43   ?  139  LYS A HB3  1 
ATOM   1775 H  HG2  . LYS A 1 139 ? -35.256 35.693 30.918  1.00 10.15  ?  139  LYS A HG2  1 
ATOM   1776 H  HG3  . LYS A 1 139 ? -36.692 35.127 30.555  1.00 10.17  ?  139  LYS A HG3  1 
ATOM   1777 H  HD2  . LYS A 1 139 ? -35.979 33.061 31.610  1.00 11.97  ?  139  LYS A HD2  1 
ATOM   1778 H  HD3  . LYS A 1 139 ? -34.765 33.904 32.201  1.00 11.96  ?  139  LYS A HD3  1 
ATOM   1779 H  HE2  . LYS A 1 139 ? -36.314 35.360 33.261  1.00 14.53  ?  139  LYS A HE2  1 
ATOM   1780 H  HE3  . LYS A 1 139 ? -37.508 34.483 32.704  1.00 14.39  ?  139  LYS A HE3  1 
ATOM   1781 H  HZ1  . LYS A 1 139 ? -35.615 33.557 34.453  1.00 16.90  ?  139  LYS A HZ1  1 
ATOM   1782 H  HZ2  . LYS A 1 139 ? -36.726 32.735 33.929  1.00 16.81  ?  139  LYS A HZ2  1 
ATOM   1783 H  HZ3  . LYS A 1 139 ? -37.010 33.876 34.826  1.00 17.06  ?  139  LYS A HZ3  1 
ATOM   1784 N  N    . VAL A 1 140 ? -33.668 31.900 28.081  1.00 7.52   ?  140  VAL A N    1 
ATOM   1785 C  CA   . VAL A 1 140 ? -33.502 31.139 26.842  1.00 7.50   ?  140  VAL A CA   1 
ATOM   1786 C  C    . VAL A 1 140 ? -34.865 30.736 26.345  1.00 7.35   ?  140  VAL A C    1 
ATOM   1787 O  O    . VAL A 1 140 ? -35.738 30.274 27.086  1.00 7.34   ?  140  VAL A O    1 
ATOM   1788 C  CB   . VAL A 1 140 ? -32.640 29.897 27.126  1.00 7.74   ?  140  VAL A CB   1 
ATOM   1789 C  CG1  . VAL A 1 140 ? -32.600 28.966 25.939  1.00 7.60   ?  140  VAL A CG1  1 
ATOM   1790 C  CG2  . VAL A 1 140 ? -31.264 30.301 27.560  1.00 7.77   ?  140  VAL A CG2  1 
ATOM   1791 H  H    . VAL A 1 140 ? -33.989 31.459 28.815  1.00 7.49   ?  140  VAL A H    1 
ATOM   1792 H  HA   . VAL A 1 140 ? -33.061 31.694 26.178  1.00 7.56   ?  140  VAL A HA   1 
ATOM   1793 H  HB   . VAL A 1 140 ? -33.062 29.411 27.877  1.00 7.67   ?  140  VAL A HB   1 
ATOM   1794 H  HG11 . VAL A 1 140 ? -32.397 29.474 25.134  1.00 7.65   ?  140  VAL A HG11 1 
ATOM   1795 H  HG12 . VAL A 1 140 ? -33.463 28.528 25.837  1.00 7.63   ?  140  VAL A HG12 1 
ATOM   1796 H  HG13 . VAL A 1 140 ? -31.911 28.292 26.078  1.00 7.64   ?  140  VAL A HG13 1 
ATOM   1797 H  HG21 . VAL A 1 140 ? -30.718 29.507 27.693  1.00 7.76   ?  140  VAL A HG21 1 
ATOM   1798 H  HG22 . VAL A 1 140 ? -31.317 30.800 28.394  1.00 7.77   ?  140  VAL A HG22 1 
ATOM   1799 H  HG23 . VAL A 1 140 ? -30.858 30.860 26.874  1.00 7.76   ?  140  VAL A HG23 1 
ATOM   1800 N  N    . LEU A 1 141 ? -35.037 30.943 25.015  1.00 6.93   ?  141  LEU A N    1 
ATOM   1801 C  CA   . LEU A 1 141 ? -36.143 30.391 24.222  1.00 6.55   ?  141  LEU A CA   1 
ATOM   1802 C  C    . LEU A 1 141 ? -35.548 29.253 23.407  1.00 6.49   ?  141  LEU A C    1 
ATOM   1803 O  O    . LEU A 1 141 ? -34.779 29.502 22.480  1.00 6.29   ?  141  LEU A O    1 
ATOM   1804 C  CB   . LEU A 1 141 ? -36.748 31.516 23.381  1.00 7.54   ?  141  LEU A CB   1 
ATOM   1805 C  CG   . LEU A 1 141 ? -37.748 31.159 22.282  1.00 11.89  ?  141  LEU A CG   1 
ATOM   1806 C  CD1  . LEU A 1 141 ? -38.729 30.125 22.697  1.00 14.93  ?  141  LEU A CD1  1 
ATOM   1807 C  CD2  . LEU A 1 141 ? -38.394 32.436 21.756  1.00 13.75  ?  141  LEU A CD2  1 
ATOM   1808 H  H    . LEU A 1 141 ? -34.425 31.464 24.581  1.00 6.96   ?  141  LEU A H    1 
ATOM   1809 H  HA   . LEU A 1 141 ? -36.823 30.031 24.833  1.00 6.71   ?  141  LEU A HA   1 
ATOM   1810 H  HB2  . LEU A 1 141 ? -37.188 32.139 23.993  1.00 7.43   ?  141  LEU A HB2  1 
ATOM   1811 H  HB3  . LEU A 1 141 ? -36.009 32.002 22.963  1.00 7.49   ?  141  LEU A HB3  1 
ATOM   1812 H  HG   . LEU A 1 141 ? -37.227 30.774 21.535  1.00 11.26  ?  141  LEU A HG   1 
ATOM   1813 H  HD11 . LEU A 1 141 ? -39.250 29.845 21.924  1.00 13.99  ?  141  LEU A HD11 1 
ATOM   1814 H  HD12 . LEU A 1 141 ? -39.325 30.495 23.370  1.00 13.96  ?  141  LEU A HD12 1 
ATOM   1815 H  HD13 . LEU A 1 141 ? -38.261 29.356 23.065  1.00 13.75  ?  141  LEU A HD13 1 
ATOM   1816 H  HD21 . LEU A 1 141 ? -37.705 33.028 21.405  1.00 13.24  ?  141  LEU A HD21 1 
ATOM   1817 H  HD22 . LEU A 1 141 ? -38.866 32.883 22.480  1.00 13.28  ?  141  LEU A HD22 1 
ATOM   1818 H  HD23 . LEU A 1 141 ? -39.023 32.215 21.048  1.00 13.32  ?  141  LEU A HD23 1 
ATOM   1819 N  N    . ILE A 1 142 ? -35.881 28.012 23.765  1.00 6.47   ?  142  ILE A N    1 
ATOM   1820 C  CA   . ILE A 1 142 ? -35.423 26.874 22.997  1.00 6.71   ?  142  ILE A CA   1 
ATOM   1821 C  C    . ILE A 1 142 ? -36.322 26.743 21.774  1.00 6.88   ?  142  ILE A C    1 
ATOM   1822 O  O    . ILE A 1 142 ? -37.525 26.749 21.912  1.00 7.07   ?  142  ILE A O    1 
ATOM   1823 C  CB   . ILE A 1 142 ? -35.456 25.603 23.864  1.00 7.83   ?  142  ILE A CB   1 
ATOM   1824 C  CG1  . ILE A 1 142 ? -34.439 25.725 25.009  1.00 8.58   ?  142  ILE A CG1  1 
ATOM   1825 C  CG2  . ILE A 1 142 ? -35.223 24.340 23.056  1.00 8.70   ?  142  ILE A CG2  1 
ATOM   1826 C  CD1  . ILE A 1 142 ? -34.360 24.539 25.924  1.00 9.49   ?  142  ILE A CD1  1 
ATOM   1827 H  H    . ILE A 1 142 ? -36.402 27.872 24.503  1.00 6.54   ?  142  ILE A H    1 
ATOM   1828 H  HA   . ILE A 1 142 ? -34.506 27.033 22.707  1.00 6.82   ?  142  ILE A HA   1 
ATOM   1829 H  HB   . ILE A 1 142 ? -36.356 25.540 24.269  1.00 7.78   ?  142  ILE A HB   1 
ATOM   1830 H  HG12 . ILE A 1 142 ? -33.551 25.877 24.621  1.00 8.58   ?  142  ILE A HG12 1 
ATOM   1831 H  HG13 . ILE A 1 142 ? -34.667 26.514 25.545  1.00 8.56   ?  142  ILE A HG13 1 
ATOM   1832 H  HG21 . ILE A 1 142 ? -34.342 24.374 22.644  1.00 8.42   ?  142  ILE A HG21 1 
ATOM   1833 H  HG22 . ILE A 1 142 ? -35.901 24.263 22.363  1.00 8.37   ?  142  ILE A HG22 1 
ATOM   1834 H  HG23 . ILE A 1 142 ? -35.276 23.563 23.639  1.00 8.44   ?  142  ILE A HG23 1 
ATOM   1835 H  HD11 . ILE A 1 142 ? -33.919 23.801 25.467  1.00 9.22   ?  142  ILE A HD11 1 
ATOM   1836 H  HD12 . ILE A 1 142 ? -35.259 24.268 26.184  1.00 9.25   ?  142  ILE A HD12 1 
ATOM   1837 H  HD13 . ILE A 1 142 ? -33.851 24.775 26.720  1.00 9.23   ?  142  ILE A HD13 1 
ATOM   1838 N  N    . ASP A 1 143 ? -35.704 26.587 20.589  1.00 6.61   ?  143  ASP A N    1 
ATOM   1839 C  CA   . ASP A 1 143 ? -36.429 26.554 19.326  1.00 7.01   ?  143  ASP A CA   1 
ATOM   1840 C  C    . ASP A 1 143 ? -36.130 25.255 18.592  1.00 6.71   ?  143  ASP A C    1 
ATOM   1841 O  O    . ASP A 1 143 ? -35.001 25.070 18.161  1.00 6.90   ?  143  ASP A O    1 
ATOM   1842 C  CB   . ASP A 1 143 ? -36.048 27.798 18.535  1.00 7.39   ?  143  ASP A CB   1 
ATOM   1843 C  CG   . ASP A 1 143 ? -36.122 27.671 17.030  1.00 7.32   ?  143  ASP A CG   1 
ATOM   1844 O  OD1  . ASP A 1 143 ? -36.985 26.951 16.540  1.00 7.74   -1 143  ASP A OD1  1 
ATOM   1845 O  OD2  . ASP A 1 143 ? -35.241 28.289 16.400  1.00 7.03   ?  143  ASP A OD2  1 
ATOM   1846 H  H    . ASP A 1 143 ? -34.795 26.496 20.572  1.00 6.70   ?  143  ASP A H    1 
ATOM   1847 H  HA   . ASP A 1 143 ? -37.393 26.592 19.517  1.00 6.92   ?  143  ASP A HA   1 
ATOM   1848 H  HB2  . ASP A 1 143 ? -36.639 28.531 18.803  1.00 7.26   ?  143  ASP A HB2  1 
ATOM   1849 H  HB3  . ASP A 1 143 ? -35.131 28.049 18.771  1.00 7.30   ?  143  ASP A HB3  1 
ATOM   1850 N  N    . LEU A 1 144 ? -37.127 24.366 18.514  1.00 6.20   ?  144  LEU A N    1 
ATOM   1851 C  CA   . LEU A 1 144 ? -36.968 23.181 17.672  1.00 5.82   ?  144  LEU A CA   1 
ATOM   1852 C  C    . LEU A 1 144 ? -37.026 23.630 16.209  1.00 5.92   ?  144  LEU A C    1 
ATOM   1853 O  O    . LEU A 1 144 ? -38.087 23.991 15.697  1.00 7.23   ?  144  LEU A O    1 
ATOM   1854 C  CB   . LEU A 1 144 ? -38.036 22.156 18.011  1.00 5.78   ?  144  LEU A CB   1 
ATOM   1855 C  CG   . LEU A 1 144 ? -37.903 20.866 17.201  1.00 6.23   ?  144  LEU A CG   1 
ATOM   1856 C  CD1  . LEU A 1 144 ? -36.602 20.104 17.443  1.00 6.62   ?  144  LEU A CD1  1 
ATOM   1857 C  CD2  . LEU A 1 144 ? -39.078 19.973 17.464  1.00 7.44   ?  144  LEU A CD2  1 
ATOM   1858 H  H    . LEU A 1 144 ? -37.902 24.489 18.982  1.00 6.13   ?  144  LEU A H    1 
ATOM   1859 H  HA   . LEU A 1 144 ? -36.081 22.795 17.851  1.00 5.86   ?  144  LEU A HA   1 
ATOM   1860 H  HB2  . LEU A 1 144 ? -37.978 21.942 18.963  1.00 5.87   ?  144  LEU A HB2  1 
ATOM   1861 H  HB3  . LEU A 1 144 ? -38.916 22.549 17.842  1.00 5.85   ?  144  LEU A HB3  1 
ATOM   1862 H  HG   . LEU A 1 144 ? -37.928 21.111 16.244  1.00 6.21   ?  144  LEU A HG   1 
ATOM   1863 H  HD11 . LEU A 1 144 ? -36.555 19.344 16.836  1.00 6.54   ?  144  LEU A HD11 1 
ATOM   1864 H  HD12 . LEU A 1 144 ? -36.579 19.785 18.362  1.00 6.60   ?  144  LEU A HD12 1 
ATOM   1865 H  HD13 . LEU A 1 144 ? -35.843 20.691 17.284  1.00 6.49   ?  144  LEU A HD13 1 
ATOM   1866 H  HD21 . LEU A 1 144 ? -39.897 20.427 17.201  1.00 7.10   ?  144  LEU A HD21 1 
ATOM   1867 H  HD22 . LEU A 1 144 ? -39.118 19.758 18.412  1.00 7.28   ?  144  LEU A HD22 1 
ATOM   1868 H  HD23 . LEU A 1 144 ? -38.983 19.152 16.950  1.00 7.10   ?  144  LEU A HD23 1 
ATOM   1869 N  N    . HIS A 1 145 ? -35.844 23.689 15.587  1.00 6.31   ?  145  HIS A N    1 
ATOM   1870 C  CA   . HIS A 1 145 ? -35.639 24.406 14.328  1.00 6.55   ?  145  HIS A CA   1 
ATOM   1871 C  C    . HIS A 1 145 ? -35.721 23.499 13.118  1.00 6.71   ?  145  HIS A C    1 
ATOM   1872 O  O    . HIS A 1 145 ? -35.803 23.980 11.979  1.00 7.37   ?  145  HIS A O    1 
ATOM   1873 C  CB   . HIS A 1 145 ? -34.295 25.169 14.377  1.00 6.92   ?  145  HIS A CB   1 
ATOM   1874 C  CG   . HIS A 1 145 ? -34.189 26.410 13.550  1.00 6.92   ?  145  HIS A CG   1 
ATOM   1875 N  ND1  . HIS A 1 145 ? -33.582 26.667 12.351  1.00 9.77   ?  145  HIS A ND1  1 
ATOM   1876 C  CD2  . HIS A 1 145 ? -34.648 27.611 13.990  1.00 6.59   ?  145  HIS A CD2  1 
ATOM   1877 C  CE1  . HIS A 1 145 ? -33.703 27.959 12.090  1.00 8.06   ?  145  HIS A CE1  1 
ATOM   1878 N  NE2  . HIS A 1 145 ? -34.345 28.562 13.059  1.00 9.27   ?  145  HIS A NE2  1 
ATOM   1879 H  H    . HIS A 1 145 ? -35.127 23.265 15.963  1.00 6.24   ?  145  HIS A H    1 
ATOM   1880 H  HA   . HIS A 1 145 ? -36.358 25.075 14.253  1.00 6.57   ?  145  HIS A HA   1 
ATOM   1881 H  HB2  . HIS A 1 145 ? -34.112 25.405 15.313  1.00 6.82   ?  145  HIS A HB2  1 
ATOM   1882 H  HB3  . HIS A 1 145 ? -33.582 24.552 14.104  1.00 6.84   ?  145  HIS A HB3  1 
ATOM   1883 H  HD1  . HIS A 1 145 ? -33.132 26.047 11.899  0.00 10.30  ?  145  HIS A HD1  1 
ATOM   1884 H  HD2  . HIS A 1 145 ? -35.107 27.767 14.788  1.00 6.90   ?  145  HIS A HD2  1 
ATOM   1885 H  HE1  . HIS A 1 145 ? -33.392 28.366 11.310  1.00 8.41   ?  145  HIS A HE1  1 
ATOM   1886 H  HE2  . HIS A 1 145 ? -34.536 29.417 13.075  0.00 10.18  ?  145  HIS A HE2  1 
ATOM   1887 N  N    . GLY A 1 146 ? -35.627 22.186 13.323  1.00 7.15   ?  146  GLY A N    1 
ATOM   1888 C  CA   . GLY A 1 146 ? -35.691 21.237 12.226  1.00 7.27   ?  146  GLY A CA   1 
ATOM   1889 C  C    . GLY A 1 146 ? -36.435 19.998 12.650  1.00 7.36   ?  146  GLY A C    1 
ATOM   1890 O  O    . GLY A 1 146 ? -36.152 19.480 13.741  1.00 7.69   ?  146  GLY A O    1 
ATOM   1891 H  H    . GLY A 1 146 ? -35.512 21.867 14.171  1.00 7.06   ?  146  GLY A H    1 
ATOM   1892 H  HA2  . GLY A 1 146 ? -36.150 21.654 11.454  1.00 7.26   ?  146  GLY A HA2  1 
ATOM   1893 H  HA3  . GLY A 1 146 ? -34.772 20.994 11.952  1.00 7.22   ?  146  GLY A HA3  1 
ATOM   1894 N  N    . ALA A 1 147 ? -37.400 19.573 11.836  1.00 7.32   ?  147  ALA A N    1 
ATOM   1895 C  CA   . ALA A 1 147 ? -38.242 18.426 12.134  1.00 7.32   ?  147  ALA A CA   1 
ATOM   1896 C  C    . ALA A 1 147 ? -38.008 17.330 11.123  1.00 7.17   ?  147  ALA A C    1 
ATOM   1897 O  O    . ALA A 1 147 ? -37.635 17.615 9.981   1.00 6.99   ?  147  ALA A O    1 
ATOM   1898 C  CB   . ALA A 1 147 ? -39.682 18.803 12.073  1.00 7.78   ?  147  ALA A CB   1 
ATOM   1899 H  H    . ALA A 1 147 ? -37.543 20.020 11.051  1.00 7.34   ?  147  ALA A H    1 
ATOM   1900 H  HA   . ALA A 1 147 ? -38.028 18.092 13.034  1.00 7.33   ?  147  ALA A HA   1 
ATOM   1901 H  HB1  . ALA A 1 147 ? -40.232 18.008 12.178  1.00 7.60   ?  147  ALA A HB1  1 
ATOM   1902 H  HB2  . ALA A 1 147 ? -39.885 19.430 12.787  1.00 7.62   ?  147  ALA A HB2  1 
ATOM   1903 H  HB3  . ALA A 1 147 ? -39.874 19.218 11.215  1.00 7.68   ?  147  ALA A HB3  1 
ATOM   1904 N  N    . PRO A 1 148 ? -38.255 16.061 11.475  1.00 6.90   ?  148  PRO A N    1 
ATOM   1905 C  CA   . PRO A 1 148 ? -38.149 14.979 10.473  1.00 7.06   ?  148  PRO A CA   1 
ATOM   1906 C  C    . PRO A 1 148 ? -38.927 15.253 9.186   1.00 6.62   ?  148  PRO A C    1 
ATOM   1907 O  O    . PRO A 1 148 ? -40.057 15.698 9.219   1.00 7.43   ?  148  PRO A O    1 
ATOM   1908 C  CB   . PRO A 1 148 ? -38.741 13.792 11.266  1.00 7.40   ?  148  PRO A CB   1 
ATOM   1909 C  CG   . PRO A 1 148 ? -38.409 14.124 12.706  1.00 7.48   ?  148  PRO A CG   1 
ATOM   1910 C  CD   . PRO A 1 148 ? -38.579 15.605 12.825  1.00 7.33   ?  148  PRO A CD   1 
ATOM   1911 H  HA   . PRO A 1 148 ? -37.196 14.804 10.273  1.00 6.95   ?  148  PRO A HA   1 
ATOM   1912 H  HB2  . PRO A 1 148 ? -39.711 13.728 11.136  1.00 7.33   ?  148  PRO A HB2  1 
ATOM   1913 H  HB3  . PRO A 1 148 ? -38.326 12.945 10.996  1.00 7.32   ?  148  PRO A HB3  1 
ATOM   1914 H  HG2  . PRO A 1 148 ? -39.015 13.657 13.317  1.00 7.39   ?  148  PRO A HG2  1 
ATOM   1915 H  HG3  . PRO A 1 148 ? -37.489 13.864 12.917  1.00 7.44   ?  148  PRO A HG3  1 
ATOM   1916 H  HD2  . PRO A 1 148 ? -39.493 15.840 13.066  1.00 7.24   ?  148  PRO A HD2  1 
ATOM   1917 H  HD3  . PRO A 1 148 ? -37.966 15.979 13.484  1.00 7.27   ?  148  PRO A HD3  1 
ATOM   1918 N  N    . GLY A 1 149 ? -38.224 15.050 8.077   1.00 6.99   ?  149  GLY A N    1 
ATOM   1919 C  CA   . GLY A 1 149 ? -38.784 15.262 6.763   1.00 7.15   ?  149  GLY A CA   1 
ATOM   1920 C  C    . GLY A 1 149 ? -38.658 16.667 6.232   1.00 7.02   ?  149  GLY A C    1 
ATOM   1921 O  O    . GLY A 1 149 ? -38.925 16.856 5.049   1.00 8.12   ?  149  GLY A O    1 
ATOM   1922 H  H    . GLY A 1 149 ? -37.358 14.766 8.142   1.00 6.91   ?  149  GLY A H    1 
ATOM   1923 H  HA2  . GLY A 1 149 ? -38.337 14.644 6.132   1.00 7.07   ?  149  GLY A HA2  1 
ATOM   1924 H  HA3  . GLY A 1 149 ? -39.742 15.014 6.785   1.00 7.02   ?  149  GLY A HA3  1 
ATOM   1925 N  N    . SER A 1 150 ? -38.325 17.623 7.102   1.00 7.09   ?  150  SER A N    1 
ATOM   1926 C  CA   . SER A 1 150 ? -38.291 19.060 6.817   1.00 7.05   ?  150  SER A CA   1 
ATOM   1927 C  C    . SER A 1 150 ? -39.667 19.671 6.776   1.00 7.10   ?  150  SER A C    1 
ATOM   1928 O  O    . SER A 1 150 ? -40.512 19.315 5.953   1.00 7.18   ?  150  SER A O    1 
ATOM   1929 C  CB   . SER A 1 150 ? -37.528 19.466 5.550   1.00 7.32   ?  150  SER A CB   1 
ATOM   1930 O  OG   . SER A 1 150 ? -37.445 20.887 5.517   1.00 7.10   ?  150  SER A OG   1 
ATOM   1931 H  H    . SER A 1 150 ? -38.088 17.363 7.945   1.00 7.04   ?  150  SER A H    1 
ATOM   1932 H  HA   . SER A 1 150 ? -37.814 19.479 7.581   1.00 7.09   ?  150  SER A HA   1 
ATOM   1933 H  HB2  . SER A 1 150 ? -36.625 19.075 5.562   1.00 7.21   ?  150  SER A HB2  1 
ATOM   1934 H  HB3  . SER A 1 150 ? -38.002 19.139 4.754   1.00 7.24   ?  150  SER A HB3  1 
ATOM   1935 H  HG   . SER A 1 150 ? -36.737 21.125 5.906   0.00 6.94   ?  150  SER A HG   1 
ATOM   1936 N  N    . GLN A 1 151 ? -39.876 20.615 7.691   1.00 6.72   ?  151  GLN A N    1 
ATOM   1937 C  CA   . GLN A 1 151 ? -41.124 21.344 7.789   1.00 6.86   ?  151  GLN A CA   1 
ATOM   1938 C  C    . GLN A 1 151 ? -41.196 22.538 6.832   1.00 6.94   ?  151  GLN A C    1 
ATOM   1939 O  O    . GLN A 1 151 ? -42.232 23.213 6.753   1.00 7.05   ?  151  GLN A O    1 
ATOM   1940 C  CB   . GLN A 1 151 ? -41.388 21.862 9.221   1.00 7.27   ?  151  GLN A CB   1 
ATOM   1941 C  CG   . GLN A 1 151 ? -40.444 22.977 9.648   1.00 7.07   ?  151  GLN A CG   1 
ATOM   1942 C  CD   . GLN A 1 151 ? -39.056 22.599 10.138  1.00 6.72   ?  151  GLN A CD   1 
ATOM   1943 O  OE1  . GLN A 1 151 ? -38.518 21.527 9.921   1.00 6.75   ?  151  GLN A OE1  1 
ATOM   1944 N  NE2  . GLN A 1 151 ? -38.435 23.579 10.778  1.00 6.87   ?  151  GLN A NE2  1 
ATOM   1945 H  H    . GLN A 1 151 ? -39.209 20.814 8.281   1.00 6.76   ?  151  GLN A H    1 
ATOM   1946 H  HA   . GLN A 1 151 ? -41.851 20.725 7.553   1.00 6.91   ?  151  GLN A HA   1 
ATOM   1947 H  HB2  . GLN A 1 151 ? -42.312 22.187 9.269   1.00 7.16   ?  151  GLN A HB2  1 
ATOM   1948 H  HB3  . GLN A 1 151 ? -41.301 21.111 9.845   1.00 7.16   ?  151  GLN A HB3  1 
ATOM   1949 H  HG2  . GLN A 1 151 ? -40.337 23.594 8.894   1.00 6.99   ?  151  GLN A HG2  1 
ATOM   1950 H  HG3  . GLN A 1 151 ? -40.885 23.483 10.364  1.00 7.04   ?  151  GLN A HG3  1 
ATOM   1951 H  HE21 . GLN A 1 151 ? -38.878 24.307 11.016  1.00 6.84   ?  151  GLN A HE21 1 
ATOM   1952 H  HE22 . GLN A 1 151 ? -37.574 23.508 10.965  1.00 6.83   ?  151  GLN A HE22 1 
ATOM   1953 N  N    . ASN A 1 152 ? -40.105 22.791 6.077   1.00 6.54   ?  152  ASN A N    1 
ATOM   1954 C  CA   . ASN A 1 152 ? -40.121 23.963 5.192   1.00 7.04   ?  152  ASN A CA   1 
ATOM   1955 C  C    . ASN A 1 152 ? -39.317 23.859 3.905   1.00 7.62   ?  152  ASN A C    1 
ATOM   1956 O  O    . ASN A 1 152 ? -39.520 24.762 3.092   1.00 8.26   ?  152  ASN A O    1 
ATOM   1957 C  CB   . ASN A 1 152 ? -39.757 25.232 5.979   1.00 7.14   ?  152  ASN A CB   1 
ATOM   1958 C  CG   . ASN A 1 152 ? -38.473 25.080 6.745   1.00 6.89   ?  152  ASN A CG   1 
ATOM   1959 O  OD1  . ASN A 1 152 ? -37.507 24.479 6.277   1.00 7.63   ?  152  ASN A OD1  1 
ATOM   1960 N  ND2  . ASN A 1 152 ? -38.460 25.577 7.989   1.00 7.43   ?  152  ASN A ND2  1 
ATOM   1961 H  H    . ASN A 1 152 ? -39.359 22.269 6.131   1.00 6.63   ?  152  ASN A H    1 
ATOM   1962 H  HA   . ASN A 1 152 ? -41.058 24.084 4.914   1.00 7.08   ?  152  ASN A HA   1 
ATOM   1963 H  HB2  . ASN A 1 152 ? -39.674 25.983 5.357   1.00 7.04   ?  152  ASN A HB2  1 
ATOM   1964 H  HB3  . ASN A 1 152 ? -40.482 25.433 6.603   1.00 7.04   ?  152  ASN A HB3  1 
ATOM   1965 H  HD21 . ASN A 1 152 ? -39.124 26.090 8.271   1.00 7.27   ?  152  ASN A HD21 1 
ATOM   1966 H  HD22 . ASN A 1 152 ? -37.784 25.395 8.531   1.00 7.26   ?  152  ASN A HD22 1 
ATOM   1967 N  N    . GLY A 1 153 ? -38.485 22.857 3.753   1.00 7.56   ?  153  GLY A N    1 
ATOM   1968 C  CA   . GLY A 1 153 ? -37.634 22.761 2.572   1.00 7.79   ?  153  GLY A CA   1 
ATOM   1969 C  C    . GLY A 1 153 ? -36.452 23.700 2.568   1.00 8.21   ?  153  GLY A C    1 
ATOM   1970 O  O    . GLY A 1 153 ? -35.714 23.799 1.590   1.00 8.68   ?  153  GLY A O    1 
ATOM   1971 H  H    . GLY A 1 153 ? -38.431 22.204 4.390   1.00 7.52   ?  153  GLY A H    1 
ATOM   1972 H  HA2  . GLY A 1 153 ? -37.302 21.831 2.501   1.00 7.81   ?  153  GLY A HA2  1 
ATOM   1973 H  HA3  . GLY A 1 153 ? -38.186 22.938 1.770   1.00 7.86   ?  153  GLY A HA3  1 
ATOM   1974 N  N    . PHE A 1 154 ? -36.200 24.407 3.691   1.00 7.92   ?  154  PHE A N    1 
ATOM   1975 C  CA   . PHE A 1 154 ? -35.078 25.298 3.796   1.00 7.51   ?  154  PHE A CA   1 
ATOM   1976 C  C    . PHE A 1 154 ? -33.842 24.549 4.254   1.00 7.24   ?  154  PHE A C    1 
ATOM   1977 O  O    . PHE A 1 154 ? -33.912 23.639 5.085   1.00 7.24   ?  154  PHE A O    1 
ATOM   1978 C  CB   . PHE A 1 154 ? -35.373 26.472 4.733   1.00 7.17   ?  154  PHE A CB   1 
ATOM   1979 C  CG   . PHE A 1 154 ? -36.636 27.237 4.459   1.00 7.50   ?  154  PHE A CG   1 
ATOM   1980 C  CD1  . PHE A 1 154 ? -37.122 27.405 3.176   1.00 8.09   ?  154  PHE A CD1  1 
ATOM   1981 C  CD2  . PHE A 1 154 ? -37.295 27.840 5.500   1.00 7.55   ?  154  PHE A CD2  1 
ATOM   1982 C  CE1  . PHE A 1 154 ? -38.310 28.111 2.961   1.00 8.44   ?  154  PHE A CE1  1 
ATOM   1983 C  CE2  . PHE A 1 154 ? -38.453 28.539 5.269   1.00 7.87   ?  154  PHE A CE2  1 
ATOM   1984 C  CZ   . PHE A 1 154 ? -38.960 28.672 4.021   1.00 8.46   ?  154  PHE A CZ   1 
ATOM   1985 H  H    . PHE A 1 154 ? -36.749 24.313 4.415   1.00 7.87   ?  154  PHE A H    1 
ATOM   1986 H  HA   . PHE A 1 154 ? -34.891 25.666 2.896   1.00 7.46   ?  154  PHE A HA   1 
ATOM   1987 H  HB2  . PHE A 1 154 ? -35.411 26.127 5.649   1.00 7.31   ?  154  PHE A HB2  1 
ATOM   1988 H  HB3  . PHE A 1 154 ? -34.617 27.095 4.686   1.00 7.28   ?  154  PHE A HB3  1 
ATOM   1989 H  HD1  . PHE A 1 154 ? -36.681 26.997 2.449   1.00 8.01   ?  154  PHE A HD1  1 
ATOM   1990 H  HD2  . PHE A 1 154 ? -36.971 27.741 6.381   1.00 7.75   ?  154  PHE A HD2  1 
ATOM   1991 H  HE1  . PHE A 1 154 ? -38.651 28.211 2.086   1.00 8.26   ?  154  PHE A HE1  1 
ATOM   1992 H  HE2  . PHE A 1 154 ? -38.907 28.929 5.997   1.00 7.95   ?  154  PHE A HE2  1 
ATOM   1993 H  HZ   . PHE A 1 154 ? -39.749 29.171 3.882   1.00 8.25   ?  154  PHE A HZ   1 
ATOM   1994 N  N    . ASP A 1 155 ? -32.667 25.012 3.833   1.00 7.04   ?  155  ASP A N    1 
ATOM   1995 C  CA   . ASP A 1 155 ? -31.435 24.424 4.371   1.00 6.93   ?  155  ASP A CA   1 
ATOM   1996 C  C    . ASP A 1 155 ? -31.424 24.467 5.899   1.00 6.93   ?  155  ASP A C    1 
ATOM   1997 O  O    . ASP A 1 155 ? -30.912 23.538 6.511   1.00 6.83   ?  155  ASP A O    1 
ATOM   1998 C  CB   . ASP A 1 155 ? -30.203 25.092 3.731   1.00 7.03   ?  155  ASP A CB   1 
ATOM   1999 C  CG   . ASP A 1 155 ? -30.082 26.600 3.834   1.00 6.96   ?  155  ASP A CG   1 
ATOM   2000 O  OD1  . ASP A 1 155 ? -30.789 27.242 4.630   1.00 7.94   ?  155  ASP A OD1  1 
ATOM   2001 O  OD2  . ASP A 1 155 ? -29.177 27.121 3.129   1.00 7.38   -1 155  ASP A OD2  1 
ATOM   2002 H  H    . ASP A 1 155 ? -32.620 25.685 3.217   1.00 7.12   ?  155  ASP A H    1 
ATOM   2003 H  HA   . ASP A 1 155 ? -31.421 23.476 4.103   1.00 6.98   ?  155  ASP A HA   1 
ATOM   2004 H  HB2  . ASP A 1 155 ? -29.401 24.705 4.138   1.00 7.02   ?  155  ASP A HB2  1 
ATOM   2005 H  HB3  . ASP A 1 155 ? -30.194 24.862 2.780   1.00 7.00   ?  155  ASP A HB3  1 
ATOM   2006 N  N    . ASN A 1 156 ? -31.981 25.542 6.472   1.00 7.20   ?  156  ASN A N    1 
ATOM   2007 C  CA   . ASN A 1 156 ? -31.934 25.734 7.927   1.00 7.13   ?  156  ASN A CA   1 
ATOM   2008 C  C    . ASN A 1 156 ? -32.845 24.768 8.670   1.00 7.39   ?  156  ASN A C    1 
ATOM   2009 O  O    . ASN A 1 156 ? -32.776 24.758 9.935   1.00 7.68   ?  156  ASN A O    1 
ATOM   2010 C  CB   . ASN A 1 156 ? -32.214 27.190 8.289   1.00 7.38   ?  156  ASN A CB   1 
ATOM   2011 C  CG   . ASN A 1 156 ? -33.531 27.674 7.783   1.00 7.29   ?  156  ASN A CG   1 
ATOM   2012 O  OD1  . ASN A 1 156 ? -34.568 27.162 8.148   1.00 7.25   ?  156  ASN A OD1  1 
ATOM   2013 N  ND2  . ASN A 1 156 ? -33.475 28.665 6.907   1.00 8.13   ?  156  ASN A ND2  1 
ATOM   2014 H  H    . ASN A 1 156 ? -32.381 26.179 5.953   1.00 7.11   ?  156  ASN A H    1 
ATOM   2015 H  HA   . ASN A 1 156 ? -31.009 25.547 8.215   1.00 7.19   ?  156  ASN A HA   1 
ATOM   2016 H  HB2  . ASN A 1 156 ? -32.191 27.284 9.262   1.00 7.31   ?  156  ASN A HB2  1 
ATOM   2017 H  HB3  . ASN A 1 156 ? -31.503 27.748 7.915   1.00 7.32   ?  156  ASN A HB3  1 
ATOM   2018 H  HD21 . ASN A 1 156 ? -32.694 28.964 6.621   1.00 7.72   ?  156  ASN A HD21 1 
ATOM   2019 H  HD22 . ASN A 1 156 ? -34.222 29.030 6.605   1.00 7.73   ?  156  ASN A HD22 1 
ATOM   2020 N  N    . SER A 1 157 ? -33.644 23.945 8.016   1.00 6.99   ?  157  SER A N    1 
ATOM   2021 C  CA   . SER A 1 157 ? -34.356 22.848 8.655   1.00 6.97   ?  157  SER A CA   1 
ATOM   2022 C  C    . SER A 1 157 ? -33.456 21.631 8.856   1.00 6.79   ?  157  SER A C    1 
ATOM   2023 O  O    . SER A 1 157 ? -33.889 20.684 9.521   1.00 6.84   ?  157  SER A O    1 
ATOM   2024 C  CB   . SER A 1 157 ? -35.576 22.449 7.857   1.00 6.86   ?  157  SER A CB   1 
ATOM   2025 O  OG   . SER A 1 157 ? -35.199 21.774 6.642   1.00 7.17   ?  157  SER A OG   1 
ATOM   2026 H  H    . SER A 1 157 ? -33.773 24.077 7.121   1.00 7.07   ?  157  SER A H    1 
ATOM   2027 H  HA   . SER A 1 157 ? -34.659 23.158 9.550   1.00 6.92   ?  157  SER A HA   1 
ATOM   2028 H  HB2  . SER A 1 157 ? -36.142 21.856 8.401   1.00 6.94   ?  157  SER A HB2  1 
ATOM   2029 H  HB3  . SER A 1 157 ? -36.096 23.252 7.639   1.00 6.94   ?  157  SER A HB3  1 
ATOM   2030 H  HG   . SER A 1 157 ? -35.153 20.945 6.798   0.00 7.06   ?  157  SER A HG   1 
ATOM   2031 N  N    . GLY A 1 158 ? -32.276 21.662 8.259   1.00 6.73   ?  158  GLY A N    1 
ATOM   2032 C  CA   . GLY A 1 158 ? -31.369 20.541 8.201   1.00 6.91   ?  158  GLY A CA   1 
ATOM   2033 C  C    . GLY A 1 158 ? -31.155 20.047 6.766   1.00 6.96   ?  158  GLY A C    1 
ATOM   2034 O  O    . GLY A 1 158 ? -30.068 19.656 6.405   1.00 7.41   ?  158  GLY A O    1 
ATOM   2035 H  H    . GLY A 1 158 ? -32.015 22.437 7.853   1.00 6.76   ?  158  GLY A H    1 
ATOM   2036 H  HA2  . GLY A 1 158 ? -30.498 20.813 8.586   1.00 6.90   ?  158  GLY A HA2  1 
ATOM   2037 H  HA3  . GLY A 1 158 ? -31.729 19.802 8.751   1.00 6.86   ?  158  GLY A HA3  1 
ATOM   2038 N  N    . ARG A 1 159 ? -32.264 20.009 6.037   1.00 7.61   ?  159  ARG A N    1 
ATOM   2039 C  CA   . ARG A 1 159 ? -32.231 19.461 4.686   1.00 8.19   ?  159  ARG A CA   1 
ATOM   2040 C  C    . ARG A 1 159 ? -33.090 20.303 3.770   1.00 8.09   ?  159  ARG A C    1 
ATOM   2041 O  O    . ARG A 1 159 ? -34.282 20.356 3.923   1.00 8.22   ?  159  ARG A O    1 
ATOM   2042 C  CB   . ARG A 1 159 ? -32.698 17.996 4.648   1.00 9.35   ?  159  ARG A CB   1 
ATOM   2043 C  CG   . ARG A 1 159 ? -32.416 17.326 3.312   1.00 11.63  ?  159  ARG A CG   1 
ATOM   2044 C  CD   . ARG A 1 159 ? -32.913 15.895 3.392   1.00 14.74  ?  159  ARG A CD   1 
ATOM   2045 N  NE   . ARG A 1 159 ? -32.571 15.136 2.212   1.00 19.95  ?  159  ARG A NE   1 
ATOM   2046 C  CZ   . ARG A 1 159 ? -32.941 13.884 1.976   1.00 24.40  ?  159  ARG A CZ   1 
ATOM   2047 N  NH1  . ARG A 1 159 ? -33.773 13.256 2.793   1.00 26.38  1  159  ARG A NH1  1 
ATOM   2048 N  NH2  . ARG A 1 159 ? -32.461 13.273 0.914   1.00 29.31  ?  159  ARG A NH2  1 
ATOM   2049 H  H    . ARG A 1 159 ? -33.055 20.317 6.375   1.00 7.49   ?  159  ARG A H    1 
ATOM   2050 H  HA   . ARG A 1 159 ? -31.303 19.497 4.362   1.00 8.16   ?  159  ARG A HA   1 
ATOM   2051 H  HB2  . ARG A 1 159 ? -32.240 17.500 5.358   1.00 9.25   ?  159  ARG A HB2  1 
ATOM   2052 H  HB3  . ARG A 1 159 ? -33.661 17.964 4.826   1.00 9.27   ?  159  ARG A HB3  1 
ATOM   2053 H  HG2  . ARG A 1 159 ? -32.882 17.798 2.590   1.00 11.51  ?  159  ARG A HG2  1 
ATOM   2054 H  HG3  . ARG A 1 159 ? -31.453 17.334 3.126   1.00 11.53  ?  159  ARG A HG3  1 
ATOM   2055 H  HD2  . ARG A 1 159 ? -32.524 15.460 4.179   1.00 14.39  ?  159  ARG A HD2  1 
ATOM   2056 H  HD3  . ARG A 1 159 ? -33.888 15.899 3.501   1.00 14.60  ?  159  ARG A HD3  1 
ATOM   2057 H  HE   . ARG A 1 159 ? -32.084 15.531 1.606   1.00 19.29  ?  159  ARG A HE   1 
ATOM   2058 H  HH11 . ARG A 1 159 ? -33.897 13.554 3.613   1.00 25.82  ?  159  ARG A HH11 1 
ATOM   2059 H  HH12 . ARG A 1 159 ? -34.199 12.534 2.515   1.00 25.69  ?  159  ARG A HH12 1 
ATOM   2060 H  HH21 . ARG A 1 159 ? -32.691 12.440 0.748   1.00 27.88  ?  159  ARG A HH21 1 
ATOM   2061 H  HH22 . ARG A 1 159 ? -31.913 13.695 0.372   1.00 27.52  ?  159  ARG A HH22 1 
ATOM   2062 N  N    . ARG A 1 160 ? -32.458 20.912 2.778   1.00 8.32   ?  160  ARG A N    1 
ATOM   2063 C  CA   . ARG A 1 160 ? -33.205 21.729 1.820   1.00 9.30   ?  160  ARG A CA   1 
ATOM   2064 C  C    . ARG A 1 160 ? -33.839 20.870 0.733   1.00 10.01  ?  160  ARG A C    1 
ATOM   2065 O  O    . ARG A 1 160 ? -33.355 19.782 0.438   1.00 10.39  ?  160  ARG A O    1 
ATOM   2066 C  CB   . ARG A 1 160 ? -32.297 22.757 1.210   1.00 10.04  ?  160  ARG A CB   1 
ATOM   2067 C  CG   . ARG A 1 160 ? -31.446 22.286 0.083   1.00 11.43  ?  160  ARG A CG   1 
ATOM   2068 C  CD   . ARG A 1 160 ? -30.654 23.505 -0.389  1.00 12.40  ?  160  ARG A CD   1 
ATOM   2069 N  NE   . ARG A 1 160 ? -29.988 23.141 -1.585  1.00 12.04  ?  160  ARG A NE   1 
ATOM   2070 C  CZ   . ARG A 1 160 ? -29.092 23.849 -2.236  1.00 11.08  ?  160  ARG A CZ   1 
ATOM   2071 N  NH1  . ARG A 1 160 ? -28.655 24.977 -1.737  1.00 9.94   1  160  ARG A NH1  1 
ATOM   2072 N  NH2  . ARG A 1 160 ? -28.602 23.402 -3.388  1.00 12.68  ?  160  ARG A NH2  1 
ATOM   2073 H  H    . ARG A 1 160 ? -31.553 20.827 2.683   1.00 8.38   ?  160  ARG A H    1 
ATOM   2074 H  HA   . ARG A 1 160 ? -33.919 22.196 2.309   1.00 9.27   ?  160  ARG A HA   1 
ATOM   2075 H  HB2  . ARG A 1 160 ? -32.851 23.501 0.891   1.00 9.89   ?  160  ARG A HB2  1 
ATOM   2076 H  HB3  . ARG A 1 160 ? -31.712 23.106 1.913   1.00 9.79   ?  160  ARG A HB3  1 
ATOM   2077 H  HG2  . ARG A 1 160 ? -30.835 21.581 0.385   1.00 11.18  ?  160  ARG A HG2  1 
ATOM   2078 H  HG3  . ARG A 1 160 ? -32.001 21.943 -0.649  1.00 11.43  ?  160  ARG A HG3  1 
ATOM   2079 H  HD2  . ARG A 1 160 ? -31.258 24.259 -0.556  1.00 12.16  ?  160  ARG A HD2  1 
ATOM   2080 H  HD3  . ARG A 1 160 ? -30.001 23.766 0.295   1.00 12.12  ?  160  ARG A HD3  1 
ATOM   2081 H  HE   . ARG A 1 160 ? -30.192 22.365 -1.928  1.00 11.92  ?  160  ARG A HE   1 
ATOM   2082 H  HH11 . ARG A 1 160 ? -29.077 25.357 -1.063  1.00 10.21  ?  160  ARG A HH11 1 
ATOM   2083 H  HH12 . ARG A 1 160 ? -27.937 25.358 -2.080  1.00 10.20  ?  160  ARG A HH12 1 
ATOM   2084 H  HH21 . ARG A 1 160 ? -27.995 23.871 -3.817  1.00 12.26  ?  160  ARG A HH21 1 
ATOM   2085 H  HH22 . ARG A 1 160 ? -28.885 22.639 -3.720  1.00 12.21  ?  160  ARG A HH22 1 
ATOM   2086 N  N    A GLY A 1 161 ? -34.935 21.373 0.174   0.50 10.58  ?  161  GLY A N    1 
ATOM   2087 N  N    B GLY A 1 161 ? -34.934 21.374 0.174   0.50 10.59  ?  161  GLY A N    1 
ATOM   2088 C  CA   A GLY A 1 161 ? -35.384 20.922 -1.124  0.50 12.43  ?  161  GLY A CA   1 
ATOM   2089 C  CA   B GLY A 1 161 ? -35.383 20.921 -1.124  0.50 12.44  ?  161  GLY A CA   1 
ATOM   2090 C  C    A GLY A 1 161 ? -36.669 20.117 -1.270  0.50 15.34  ?  161  GLY A C    1 
ATOM   2091 C  C    B GLY A 1 161 ? -36.672 20.123 -1.269  0.50 15.35  ?  161  GLY A C    1 
ATOM   2092 O  O    A GLY A 1 161 ? -37.005 19.792 -2.398  0.50 18.28  ?  161  GLY A O    1 
ATOM   2093 O  O    B GLY A 1 161 ? -37.014 19.806 -2.398  0.50 18.34  ?  161  GLY A O    1 
ATOM   2094 H  H    A GLY A 1 161 ? -35.415 22.016 0.611   0.50 10.70  ?  161  GLY A H    1 
ATOM   2095 H  H    B GLY A 1 161 ? -35.415 22.017 0.610   0.50 10.70  ?  161  GLY A H    1 
ATOM   2096 H  HA2  A GLY A 1 161 ? -35.472 21.726 -1.696  0.50 12.18  ?  161  GLY A HA2  1 
ATOM   2097 H  HA2  B GLY A 1 161 ? -35.465 21.723 -1.698  0.50 12.19  ?  161  GLY A HA2  1 
ATOM   2098 H  HA3  A GLY A 1 161 ? -34.652 20.390 -1.525  0.50 12.09  ?  161  GLY A HA3  1 
ATOM   2099 H  HA3  B GLY A 1 161 ? -34.653 20.383 -1.521  0.50 12.10  ?  161  GLY A HA3  1 
ATOM   2100 N  N    . ALA A 1 162 ? -37.338 19.702 -0.245  1.00 14.34  ?  162  ALA A N    1 
ATOM   2101 C  CA   . ALA A 1 162 ? -38.731 19.195 -0.250  1.00 11.66  ?  162  ALA A CA   1 
ATOM   2102 C  C    . ALA A 1 162 ? -39.245 19.352 1.196   1.00 11.17  ?  162  ALA A C    1 
ATOM   2103 O  O    . ALA A 1 162 ? -38.498 19.382 2.177   1.00 10.72  ?  162  ALA A O    1 
ATOM   2104 C  CB   . ALA A 1 162 ? -38.863 17.744 -0.661  1.00 15.05  ?  162  ALA A CB   1 
ATOM   2105 H  H    . ALA A 1 162 ? -36.914 19.711 0.565   1.00 14.01  ?  162  ALA A H    1 
ATOM   2106 H  HA   . ALA A 1 162 ? -39.275 19.757 -0.850  1.00 11.99  ?  162  ALA A HA   1 
ATOM   2107 H  HB1  . ALA A 1 162 ? -39.800 17.485 -0.642  1.00 13.84  ?  162  ALA A HB1  1 
ATOM   2108 H  HB2  . ALA A 1 162 ? -38.514 17.627 -1.560  1.00 14.07  ?  162  ALA A HB2  1 
ATOM   2109 H  HB3  . ALA A 1 162 ? -38.362 17.185 -0.044  1.00 13.93  ?  162  ALA A HB3  1 
ATOM   2110 N  N    . ILE A 1 163 ? -40.560 19.451 1.292   1.00 9.73   ?  163  ILE A N    1 
ATOM   2111 C  CA   . ILE A 1 163 ? -41.283 19.383 2.566   1.00 9.49   ?  163  ILE A CA   1 
ATOM   2112 C  C    . ILE A 1 163 ? -41.901 18.010 2.698   1.00 9.25   ?  163  ILE A C    1 
ATOM   2113 O  O    . ILE A 1 163 ? -42.803 17.663 1.949   1.00 10.02  ?  163  ILE A O    1 
ATOM   2114 C  CB   . ILE A 1 163 ? -42.362 20.454 2.670   1.00 9.88   ?  163  ILE A CB   1 
ATOM   2115 C  CG1  . ILE A 1 163 ? -41.729 21.838 2.666   1.00 10.16  ?  163  ILE A CG1  1 
ATOM   2116 C  CG2  . ILE A 1 163 ? -43.163 20.274 3.944   1.00 10.68  ?  163  ILE A CG2  1 
ATOM   2117 C  CD1  . ILE A 1 163 ? -42.753 22.951 2.642   1.00 11.37  ?  163  ILE A CD1  1 
ATOM   2118 H  H    . ILE A 1 163 ? -41.046 19.567 0.527   1.00 9.96   ?  163  ILE A H    1 
ATOM   2119 H  HA   . ILE A 1 163 ? -40.650 19.514 3.294   1.00 9.52   ?  163  ILE A HA   1 
ATOM   2120 H  HB   . ILE A 1 163 ? -42.968 20.376 1.892   1.00 9.91   ?  163  ILE A HB   1 
ATOM   2121 H  HG12 . ILE A 1 163 ? -41.174 21.933 3.468   1.00 10.07  ?  163  ILE A HG12 1 
ATOM   2122 H  HG13 . ILE A 1 163 ? -41.147 21.922 1.881   1.00 10.15  ?  163  ILE A HG13 1 
ATOM   2123 H  HG21 . ILE A 1 163 ? -42.578 20.380 4.714   1.00 10.42  ?  163  ILE A HG21 1 
ATOM   2124 H  HG22 . ILE A 1 163 ? -43.560 19.387 3.961   1.00 10.48  ?  163  ILE A HG22 1 
ATOM   2125 H  HG23 . ILE A 1 163 ? -43.871 20.940 3.983   1.00 10.46  ?  163  ILE A HG23 1 
ATOM   2126 H  HD11 . ILE A 1 163 ? -43.178 23.025 3.514   1.00 11.23  ?  163  ILE A HD11 1 
ATOM   2127 H  HD12 . ILE A 1 163 ? -43.427 22.756 1.968   1.00 11.18  ?  163  ILE A HD12 1 
ATOM   2128 H  HD13 . ILE A 1 163 ? -42.313 23.792 2.425   1.00 11.03  ?  163  ILE A HD13 1 
ATOM   2129 N  N    . GLN A 1 164 ? -41.321 17.175 3.550   1.00 8.96   ?  164  GLN A N    1 
ATOM   2130 C  CA   . GLN A 1 164 ? -41.921 15.876 3.818   1.00 9.05   ?  164  GLN A CA   1 
ATOM   2131 C  C    . GLN A 1 164 ? -42.428 15.747 5.252   1.00 8.17   ?  164  GLN A C    1 
ATOM   2132 O  O    . GLN A 1 164 ? -43.000 14.735 5.625   1.00 8.74   ?  164  GLN A O    1 
ATOM   2133 C  CB   . GLN A 1 164 ? -40.964 14.744 3.515   1.00 10.75  ?  164  GLN A CB   1 
ATOM   2134 C  CG   . GLN A 1 164 ? -40.518 14.721 2.067   1.00 13.60  ?  164  GLN A CG   1 
ATOM   2135 C  CD   . GLN A 1 164 ? -39.510 13.629 1.827   1.00 19.39  ?  164  GLN A CD   1 
ATOM   2136 O  OE1  . GLN A 1 164 ? -38.298 13.855 1.749   1.00 28.83  ?  164  GLN A OE1  1 
ATOM   2137 N  NE2  . GLN A 1 164 ? -40.018 12.426 1.654   1.00 24.73  ?  164  GLN A NE2  1 
ATOM   2138 H  H    . GLN A 1 164 ? -40.538 17.402 3.963   1.00 8.99   ?  164  GLN A H    1 
ATOM   2139 H  HA   . GLN A 1 164 ? -42.697 15.776 3.221   1.00 9.03   ?  164  GLN A HA   1 
ATOM   2140 H  HB2  . GLN A 1 164 ? -40.179 14.832 4.094   1.00 10.50  ?  164  GLN A HB2  1 
ATOM   2141 H  HB3  . GLN A 1 164 ? -41.403 13.896 3.729   1.00 10.62  ?  164  GLN A HB3  1 
ATOM   2142 H  HG2  . GLN A 1 164 ? -41.297 14.577 1.488   1.00 13.52  ?  164  GLN A HG2  1 
ATOM   2143 H  HG3  . GLN A 1 164 ? -40.120 15.586 1.832   1.00 13.34  ?  164  GLN A HG3  1 
ATOM   2144 H  HE21 . GLN A 1 164 ? -40.864 12.268 1.859   1.00 22.94  ?  164  GLN A HE21 1 
ATOM   2145 H  HE22 . GLN A 1 164 ? -39.513 11.775 1.332   1.00 23.35  ?  164  GLN A HE22 1 
ATOM   2146 N  N    . TRP A 1 165 ? -42.280 16.790 6.080   1.00 7.64   ?  165  TRP A N    1 
ATOM   2147 C  CA   . TRP A 1 165 ? -42.942 16.777 7.377   1.00 7.49   ?  165  TRP A CA   1 
ATOM   2148 C  C    . TRP A 1 165 ? -44.439 16.682 7.141   1.00 7.74   ?  165  TRP A C    1 
ATOM   2149 O  O    . TRP A 1 165 ? -44.967 17.311 6.235   1.00 8.96   ?  165  TRP A O    1 
ATOM   2150 C  CB   . TRP A 1 165 ? -42.613 18.074 8.124   1.00 7.18   ?  165  TRP A CB   1 
ATOM   2151 C  CG   . TRP A 1 165 ? -43.000 18.070 9.573   1.00 7.06   ?  165  TRP A CG   1 
ATOM   2152 C  CD1  . TRP A 1 165 ? -42.540 17.245 10.536  1.00 7.42   ?  165  TRP A CD1  1 
ATOM   2153 C  CD2  . TRP A 1 165 ? -43.856 19.017 10.215  1.00 7.61   ?  165  TRP A CD2  1 
ATOM   2154 N  NE1  . TRP A 1 165 ? -43.068 17.603 11.755  1.00 7.49   ?  165  TRP A NE1  1 
ATOM   2155 C  CE2  . TRP A 1 165 ? -43.869 18.683 11.594  1.00 7.51   ?  165  TRP A CE2  1 
ATOM   2156 C  CE3  . TRP A 1 165 ? -44.573 20.111 9.786   1.00 8.05   ?  165  TRP A CE3  1 
ATOM   2157 C  CZ2  . TRP A 1 165 ? -44.593 19.427 12.519  1.00 7.58   ?  165  TRP A CZ2  1 
ATOM   2158 C  CZ3  . TRP A 1 165 ? -45.258 20.866 10.694  1.00 8.56   ?  165  TRP A CZ3  1 
ATOM   2159 C  CH2  . TRP A 1 165 ? -45.298 20.506 12.046  1.00 8.08   ?  165  TRP A CH2  1 
ATOM   2160 H  H    . TRP A 1 165 ? -41.768 17.508 5.842   1.00 7.70   ?  165  TRP A H    1 
ATOM   2161 H  HA   . TRP A 1 165 ? -42.624 16.004 7.900   1.00 7.40   ?  165  TRP A HA   1 
ATOM   2162 H  HB2  . TRP A 1 165 ? -41.651 18.231 8.055   1.00 7.21   ?  165  TRP A HB2  1 
ATOM   2163 H  HB3  . TRP A 1 165 ? -43.070 18.812 7.673   1.00 7.23   ?  165  TRP A HB3  1 
ATOM   2164 H  HD1  . TRP A 1 165 ? -41.973 16.506 10.397  1.00 7.30   ?  165  TRP A HD1  1 
ATOM   2165 H  HE1  . TRP A 1 165 ? -42.925 17.182 12.511  1.00 7.46   ?  165  TRP A HE1  1 
ATOM   2166 H  HE3  . TRP A 1 165 ? -44.540 20.372 8.879   1.00 8.02   ?  165  TRP A HE3  1 
ATOM   2167 H  HZ2  . TRP A 1 165 ? -44.616 19.184 13.429  1.00 7.67   ?  165  TRP A HZ2  1 
ATOM   2168 H  HZ3  . TRP A 1 165 ? -45.776 21.596 10.394  1.00 8.28   ?  165  TRP A HZ3  1 
ATOM   2169 H  HH2  . TRP A 1 165 ? -45.817 21.014 12.644  1.00 7.97   ?  165  TRP A HH2  1 
ATOM   2170 N  N    . GLN A 1 166 ? -45.089 15.872 7.988   1.00 7.69   ?  166  GLN A N    1 
ATOM   2171 C  CA   . GLN A 1 166 ? -46.505 15.487 7.881   1.00 7.64   ?  166  GLN A CA   1 
ATOM   2172 C  C    . GLN A 1 166 ? -46.703 14.238 7.044   1.00 9.17   ?  166  GLN A C    1 
ATOM   2173 O  O    . GLN A 1 166 ? -47.827 13.724 7.064   1.00 12.41  ?  166  GLN A O    1 
ATOM   2174 C  CB   . GLN A 1 166 ? -47.457 16.590 7.462   1.00 8.09   ?  166  GLN A CB   1 
ATOM   2175 C  CG   . GLN A 1 166 ? -47.402 17.789 8.373   1.00 8.18   ?  166  GLN A CG   1 
ATOM   2176 C  CD   . GLN A 1 166 ? -48.336 18.902 7.986   1.00 8.31   ?  166  GLN A CD   1 
ATOM   2177 O  OE1  . GLN A 1 166 ? -48.648 19.077 6.816   1.00 9.84   ?  166  GLN A OE1  1 
ATOM   2178 N  NE2  . GLN A 1 166 ? -48.796 19.672 8.950   1.00 8.27   ?  166  GLN A NE2  1 
ATOM   2179 H  H    . GLN A 1 166 ? -44.615 15.534 8.693   1.00 7.62   ?  166  GLN A H    1 
ATOM   2180 H  HA   . GLN A 1 166 ? -46.774 15.238 8.793   1.00 7.77   ?  166  GLN A HA   1 
ATOM   2181 H  HB2  . GLN A 1 166 ? -47.242 16.865 6.548   1.00 8.09   ?  166  GLN A HB2  1 
ATOM   2182 H  HB3  . GLN A 1 166 ? -48.369 16.232 7.461   1.00 7.90   ?  166  GLN A HB3  1 
ATOM   2183 H  HG2  . GLN A 1 166 ? -47.616 17.501 9.286   1.00 8.02   ?  166  GLN A HG2  1 
ATOM   2184 H  HG3  . GLN A 1 166 ? -46.486 18.139 8.383   1.00 8.08   ?  166  GLN A HG3  1 
ATOM   2185 H  HE21 . GLN A 1 166 ? -48.489 19.583 9.775   1.00 8.28   ?  166  GLN A HE21 1 
ATOM   2186 H  HE22 . GLN A 1 166 ? -49.412 20.282 8.774   1.00 8.30   ?  166  GLN A HE22 1 
ATOM   2187 N  N    . GLN A 1 167 ? -45.644 13.742 6.386   1.00 9.52   ?  167  GLN A N    1 
ATOM   2188 C  CA   A GLN A 1 167 ? -45.749 12.448 5.738   0.50 9.69   ?  167  GLN A CA   1 
ATOM   2189 C  CA   B GLN A 1 167 ? -45.734 12.450 5.725   0.50 9.86   ?  167  GLN A CA   1 
ATOM   2190 C  C    . GLN A 1 167 ? -45.311 11.365 6.705   1.00 9.48   ?  167  GLN A C    1 
ATOM   2191 O  O    . GLN A 1 167 ? -44.500 11.584 7.611   1.00 9.49   ?  167  GLN A O    1 
ATOM   2192 C  CB   A GLN A 1 167 ? -44.881 12.378 4.486   0.50 10.26  ?  167  GLN A CB   1 
ATOM   2193 C  CB   B GLN A 1 167 ? -44.868 12.382 4.459   0.50 10.77  ?  167  GLN A CB   1 
ATOM   2194 C  CG   A GLN A 1 167 ? -45.198 13.468 3.490   0.50 11.30  ?  167  GLN A CG   1 
ATOM   2195 C  CG   B GLN A 1 167 ? -45.285 13.363 3.371   0.50 12.97  ?  167  GLN A CG   1 
ATOM   2196 C  CD   A GLN A 1 167 ? -46.623 13.329 3.037   0.50 13.03  ?  167  GLN A CD   1 
ATOM   2197 C  CD   B GLN A 1 167 ? -44.426 13.374 2.122   0.50 16.49  ?  167  GLN A CD   1 
ATOM   2198 O  OE1  A GLN A 1 167 ? -47.061 12.234 2.671   0.50 14.39  ?  167  GLN A OE1  1 
ATOM   2199 O  OE1  B GLN A 1 167 ? -43.484 12.595 1.959   0.50 22.36  ?  167  GLN A OE1  1 
ATOM   2200 N  NE2  A GLN A 1 167 ? -47.345 14.434 3.038   0.50 13.95  ?  167  GLN A NE2  1 
ATOM   2201 N  NE2  B GLN A 1 167 ? -44.729 14.326 1.256   0.50 20.70  ?  167  GLN A NE2  1 
ATOM   2202 H  H    . GLN A 1 167 ? -44.858 14.206 6.339   1.00 9.53   ?  167  GLN A H    1 
ATOM   2203 H  HA   A GLN A 1 167 ? -46.689 12.293 5.486   0.50 9.65   ?  167  GLN A HA   1 
ATOM   2204 H  HA   B GLN A 1 167 ? -46.673 12.295 5.470   0.50 9.85   ?  167  GLN A HA   1 
ATOM   2205 H  HB2  A GLN A 1 167 ? -43.942 12.446 4.751   0.50 10.30  ?  167  GLN A HB2  1 
ATOM   2206 H  HB2  B GLN A 1 167 ? -43.939 12.559 4.709   0.50 10.93  ?  167  GLN A HB2  1 
ATOM   2207 H  HB3  A GLN A 1 167 ? -45.012 11.504 4.062   0.50 10.27  ?  167  GLN A HB3  1 
ATOM   2208 H  HB3  B GLN A 1 167 ? -44.913 11.471 4.101   0.50 10.87  ?  167  GLN A HB3  1 
ATOM   2209 H  HG2  A GLN A 1 167 ? -45.067 14.347 3.904   0.50 11.12  ?  167  GLN A HG2  1 
ATOM   2210 H  HG2  B GLN A 1 167 ? -46.208 13.161 3.108   0.50 12.75  ?  167  GLN A HG2  1 
ATOM   2211 H  HG3  A GLN A 1 167 ? -44.597 13.396 2.717   0.50 11.18  ?  167  GLN A HG3  1 
ATOM   2212 H  HG3  B GLN A 1 167 ? -45.284 14.267 3.752   0.50 12.68  ?  167  GLN A HG3  1 
ATOM   2213 H  HE21 A GLN A 1 167 ? -46.982 15.198 3.296   0.50 13.74  ?  167  GLN A HE21 1 
ATOM   2214 H  HE21 B GLN A 1 167 ? -45.449 14.823 1.378   0.50 19.17  ?  167  GLN A HE21 1 
ATOM   2215 H  HE22 A GLN A 1 167 ? -48.190 14.412 2.780   0.50 13.69  ?  167  GLN A HE22 1 
ATOM   2216 H  HE22 B GLN A 1 167 ? -44.220 14.454 0.543   0.50 19.48  ?  167  GLN A HE22 1 
ATOM   2217 N  N    . GLY A 1 168 ? -45.805 10.157 6.453   1.00 10.76  ?  168  GLY A N    1 
ATOM   2218 C  CA   . GLY A 1 168 ? -45.346 9.028  7.232   1.00 10.69  ?  168  GLY A CA   1 
ATOM   2219 C  C    . GLY A 1 168 ? -45.470 9.277  8.731   1.00 10.45  ?  168  GLY A C    1 
ATOM   2220 O  O    . GLY A 1 168 ? -46.487 9.797  9.181   1.00 11.28  ?  168  GLY A O    1 
ATOM   2221 H  H    . GLY A 1 168 ? -46.428 10.030 5.798   1.00 10.47  ?  168  GLY A H    1 
ATOM   2222 H  HA2  . GLY A 1 168 ? -45.879 8.231  6.987   1.00 10.67  ?  168  GLY A HA2  1 
ATOM   2223 H  HA3  . GLY A 1 168 ? -44.399 8.846  7.005   1.00 10.68  ?  168  GLY A HA3  1 
ATOM   2224 N  N    . ASP A 1 169 ? -44.429 8.912  9.488   1.00 10.53  ?  169  ASP A N    1 
ATOM   2225 C  CA   . ASP A 1 169 ? -44.430 9.026  10.941  1.00 10.71  ?  169  ASP A CA   1 
ATOM   2226 C  C    . ASP A 1 169 ? -43.694 10.270 11.406  1.00 8.96   ?  169  ASP A C    1 
ATOM   2227 O  O    . ASP A 1 169 ? -43.392 10.390 12.580  1.00 9.46   ?  169  ASP A O    1 
ATOM   2228 C  CB   . ASP A 1 169 ? -43.802 7.793  11.580  1.00 12.62  ?  169  ASP A CB   1 
ATOM   2229 C  CG   . ASP A 1 169 ? -44.604 6.537  11.291  1.00 16.99  ?  169  ASP A CG   1 
ATOM   2230 O  OD1  . ASP A 1 169 ? -45.856 6.600  11.447  1.00 19.26  ?  169  ASP A OD1  1 
ATOM   2231 O  OD2  . ASP A 1 169 ? -43.969 5.500  10.974  1.00 22.81  -1 169  ASP A OD2  1 
ATOM   2232 H  H    . ASP A 1 169 ? -43.684 8.575  9.081   1.00 10.55  ?  169  ASP A H    1 
ATOM   2233 H  HA   . ASP A 1 169 ? -45.364 9.088  11.246  1.00 10.63  ?  169  ASP A HA   1 
ATOM   2234 H  HB2  . ASP A 1 169 ? -42.894 7.673  11.235  1.00 12.73  ?  169  ASP A HB2  1 
ATOM   2235 H  HB3  . ASP A 1 169 ? -43.751 7.913  12.550  1.00 12.48  ?  169  ASP A HB3  1 
ATOM   2236 N  N    . THR A 1 170 ? -43.479 11.231 10.506  1.00 8.63   ?  170  THR A N    1 
ATOM   2237 C  CA   . THR A 1 170 ? -42.619 12.361 10.843  1.00 7.98   ?  170  THR A CA   1 
ATOM   2238 C  C    . THR A 1 170 ? -43.170 13.210 11.990  1.00 7.67   ?  170  THR A C    1 
ATOM   2239 O  O    . THR A 1 170 ? -42.390 13.693 12.788  1.00 7.67   ?  170  THR A O    1 
ATOM   2240 C  CB   . THR A 1 170 ? -42.413 13.277 9.640   1.00 7.64   ?  170  THR A CB   1 
ATOM   2241 O  OG1  . THR A 1 170 ? -43.668 13.701 9.089   1.00 7.50   ?  170  THR A OG1  1 
ATOM   2242 C  CG2  . THR A 1 170 ? -41.507 12.673 8.573   1.00 7.86   ?  170  THR A CG2  1 
ATOM   2243 H  H    . THR A 1 170 ? -43.872 11.197 9.682   1.00 8.56   ?  170  THR A H    1 
ATOM   2244 H  HA   . THR A 1 170 ? -41.744 12.004 11.114  1.00 7.97   ?  170  THR A HA   1 
ATOM   2245 H  HB   . THR A 1 170 ? -41.959 14.084 9.979   1.00 7.65   ?  170  THR A HB   1 
ATOM   2246 H  HG1  . THR A 1 170 ? -44.108 13.022 8.836   0.00 7.61   ?  170  THR A HG1  1 
ATOM   2247 H  HG21 . THR A 1 170 ? -41.427 13.293 7.826   1.00 7.81   ?  170  THR A HG21 1 
ATOM   2248 H  HG22 . THR A 1 170 ? -41.889 11.835 8.258   1.00 7.75   ?  170  THR A HG22 1 
ATOM   2249 H  HG23 . THR A 1 170 ? -40.625 12.506 8.952   1.00 7.75   ?  170  THR A HG23 1 
ATOM   2250 N  N    . VAL A 1 171 ? -44.471 13.419 12.079  1.00 7.81   ?  171  VAL A N    1 
ATOM   2251 C  CA   . VAL A 1 171 ? -44.999 14.242 13.151  1.00 8.04   ?  171  VAL A CA   1 
ATOM   2252 C  C    . VAL A 1 171 ? -44.827 13.551 14.494  1.00 8.11   ?  171  VAL A C    1 
ATOM   2253 O  O    . VAL A 1 171 ? -44.383 14.183 15.446  1.00 8.31   ?  171  VAL A O    1 
ATOM   2254 C  CB   . VAL A 1 171 ? -46.438 14.716 12.916  1.00 9.05   ?  171  VAL A CB   1 
ATOM   2255 C  CG1  . VAL A 1 171 ? -46.980 15.497 14.124  1.00 10.91  ?  171  VAL A CG1  1 
ATOM   2256 C  CG2  . VAL A 1 171 ? -46.531 15.574 11.667  1.00 9.28   ?  171  VAL A CG2  1 
ATOM   2257 H  H    . VAL A 1 171 ? -45.044 13.054 11.467  1.00 7.82   ?  171  VAL A H    1 
ATOM   2258 H  HA   . VAL A 1 171 ? -44.448 15.045 13.180  1.00 8.09   ?  171  VAL A HA   1 
ATOM   2259 H  HB   . VAL A 1 171 ? -47.005 13.916 12.785  1.00 9.03   ?  171  VAL A HB   1 
ATOM   2260 H  HG11 . VAL A 1 171 ? -46.360 16.212 14.353  1.00 10.43  ?  171  VAL A HG11 1 
ATOM   2261 H  HG12 . VAL A 1 171 ? -47.079 14.898 14.884  1.00 10.38  ?  171  VAL A HG12 1 
ATOM   2262 H  HG13 . VAL A 1 171 ? -47.845 15.879 13.901  1.00 10.41  ?  171  VAL A HG13 1 
ATOM   2263 H  HG21 . VAL A 1 171 ? -47.459 15.822 11.510  1.00 9.19   ?  171  VAL A HG21 1 
ATOM   2264 H  HG22 . VAL A 1 171 ? -46.197 15.073 10.904  1.00 9.18   ?  171  VAL A HG22 1 
ATOM   2265 H  HG23 . VAL A 1 171 ? -45.997 16.379 11.785  1.00 9.21   ?  171  VAL A HG23 1 
ATOM   2266 N  N    . GLU A 1 172 ? -45.163 12.256 14.565  1.00 8.20   ?  172  GLU A N    1 
ATOM   2267 C  CA   . GLU A 1 172 ? -44.937 11.533 15.805  1.00 9.02   ?  172  GLU A CA   1 
ATOM   2268 C  C    . GLU A 1 172 ? -43.464 11.616 16.183  1.00 8.68   ?  172  GLU A C    1 
ATOM   2269 O  O    . GLU A 1 172 ? -43.139 11.763 17.390  1.00 8.50   ?  172  GLU A O    1 
ATOM   2270 C  CB   . GLU A 1 172 ? -45.404 10.081 15.647  1.00 11.18  ?  172  GLU A CB   1 
ATOM   2271 C  CG   . GLU A 1 172 ? -45.059 9.196  16.785  1.00 15.75  ?  172  GLU A CG   1 
ATOM   2272 C  CD   . GLU A 1 172 ? -45.524 7.751  16.629  1.00 20.61  ?  172  GLU A CD   1 
ATOM   2273 O  OE1  . GLU A 1 172 ? -46.045 7.361  15.522  1.00 27.68  ?  172  GLU A OE1  1 
ATOM   2274 O  OE2  . GLU A 1 172 ? -45.408 7.028  17.633  1.00 30.03  -1 172  GLU A OE2  1 
ATOM   2275 H  H    . GLU A 1 172 ? -45.536 11.827 13.849  1.00 8.27   ?  172  GLU A H    1 
ATOM   2276 H  HA   . GLU A 1 172 ? -45.468 11.961 16.515  1.00 8.85   ?  172  GLU A HA   1 
ATOM   2277 H  HB2  . GLU A 1 172 ? -46.377 10.080 15.529  1.00 11.03  ?  172  GLU A HB2  1 
ATOM   2278 H  HB3  . GLU A 1 172 ? -45.004 9.715  14.830  1.00 11.12  ?  172  GLU A HB3  1 
ATOM   2279 H  HG2  . GLU A 1 172 ? -44.086 9.193  16.905  1.00 14.94  ?  172  GLU A HG2  1 
ATOM   2280 H  HG3  . GLU A 1 172 ? -45.456 9.562  17.604  1.00 14.97  ?  172  GLU A HG3  1 
ATOM   2281 N  N    . GLN A 1 173 ? -42.555 11.492 15.239  1.00 8.33   ?  173  GLN A N    1 
ATOM   2282 C  CA   . GLN A 1 173 ? -41.136 11.580 15.538  1.00 8.05   ?  173  GLN A CA   1 
ATOM   2283 C  C    . GLN A 1 173 ? -40.752 12.965 16.035  1.00 7.58   ?  173  GLN A C    1 
ATOM   2284 O  O    . GLN A 1 173 ? -39.846 13.105 16.866  1.00 8.00   ?  173  GLN A O    1 
ATOM   2285 C  CB   . GLN A 1 173 ? -40.355 11.184 14.287  1.00 8.34   ?  173  GLN A CB   1 
ATOM   2286 C  CG   . GLN A 1 173 ? -40.540 9.705  13.970  1.00 9.47   ?  173  GLN A CG   1 
ATOM   2287 C  CD   . GLN A 1 173 ? -40.064 9.399  12.584  1.00 10.78  ?  173  GLN A CD   1 
ATOM   2288 O  OE1  . GLN A 1 173 ? -40.025 10.262 11.695  1.00 12.23  ?  173  GLN A OE1  1 
ATOM   2289 N  NE2  . GLN A 1 173 ? -39.724 8.144  12.374  1.00 13.64  ?  173  GLN A NE2  1 
ATOM   2290 H  H    . GLN A 1 173 ? -42.818 11.348 14.375  1.00 8.34   ?  173  GLN A H    1 
ATOM   2291 H  HA   . GLN A 1 173 ? -40.933 10.929 16.249  1.00 8.03   ?  173  GLN A HA   1 
ATOM   2292 H  HB2  . GLN A 1 173 ? -40.667 11.727 13.533  1.00 8.36   ?  173  GLN A HB2  1 
ATOM   2293 H  HB3  . GLN A 1 173 ? -39.404 11.374 14.430  1.00 8.33   ?  173  GLN A HB3  1 
ATOM   2294 H  HG2  . GLN A 1 173 ? -40.032 9.168  14.615  1.00 9.28   ?  173  GLN A HG2  1 
ATOM   2295 H  HG3  . GLN A 1 173 ? -41.486 9.464  14.051  1.00 9.35   ?  173  GLN A HG3  1 
ATOM   2296 H  HE21 . GLN A 1 173 ? -39.936 7.521  12.965  1.00 12.66  ?  173  GLN A HE21 1 
ATOM   2297 H  HE22 . GLN A 1 173 ? -39.283 7.923  11.639  1.00 12.73  ?  173  GLN A HE22 1 
ATOM   2298 N  N    . THR A 1 174 ? -41.415 13.969 15.515  1.00 7.18   ?  174  THR A N    1 
ATOM   2299 C  CA   . THR A 1 174 ? -41.180 15.328 15.982  1.00 6.93   ?  174  THR A CA   1 
ATOM   2300 C  C    . THR A 1 174 ? -41.625 15.500 17.430  1.00 7.29   ?  174  THR A C    1 
ATOM   2301 O  O    . THR A 1 174 ? -40.875 16.047 18.237  1.00 7.18   ?  174  THR A O    1 
ATOM   2302 C  CB   . THR A 1 174 ? -41.923 16.355 15.138  1.00 7.46   ?  174  THR A CB   1 
ATOM   2303 O  OG1  . THR A 1 174 ? -41.695 16.105 13.725  1.00 7.28   ?  174  THR A OG1  1 
ATOM   2304 C  CG2  . THR A 1 174 ? -41.515 17.776 15.402  1.00 7.49   ?  174  THR A CG2  1 
ATOM   2305 H  H    . THR A 1 174 ? -42.019 13.825 14.845  1.00 7.21   ?  174  THR A H    1 
ATOM   2306 H  HA   . THR A 1 174 ? -40.214 15.512 15.923  1.00 7.10   ?  174  THR A HA   1 
ATOM   2307 H  HB   . THR A 1 174 ? -42.888 16.266 15.323  1.00 7.34   ?  174  THR A HB   1 
ATOM   2308 H  HG1  . THR A 1 174 ? -40.867 16.161 13.556  0.00 6.82   ?  174  THR A HG1  1 
ATOM   2309 H  HG21 . THR A 1 174 ? -42.022 18.374 14.823  1.00 7.50   ?  174  THR A HG21 1 
ATOM   2310 H  HG22 . THR A 1 174 ? -40.564 17.881 15.221  1.00 7.48   ?  174  THR A HG22 1 
ATOM   2311 H  HG23 . THR A 1 174 ? -41.694 18.000 16.332  1.00 7.48   ?  174  THR A HG23 1 
ATOM   2312 N  N    . LEU A 1 175 ? -42.805 14.973 17.743  1.00 7.42   ?  175  LEU A N    1 
ATOM   2313 C  CA   . LEU A 1 175 ? -43.277 15.029 19.129  1.00 7.94   ?  175  LEU A CA   1 
ATOM   2314 C  C    . LEU A 1 175 ? -42.378 14.218 20.033  1.00 8.04   ?  175  LEU A C    1 
ATOM   2315 O  O    . LEU A 1 175 ? -42.179 14.613 21.197  1.00 8.74   ?  175  LEU A O    1 
ATOM   2316 C  CB   . LEU A 1 175 ? -44.731 14.561 19.183  1.00 7.72   ?  175  LEU A CB   1 
ATOM   2317 C  CG   . LEU A 1 175 ? -45.741 15.526 18.550  1.00 8.45   ?  175  LEU A CG   1 
ATOM   2318 C  CD1  . LEU A 1 175 ? -47.076 14.844 18.363  1.00 9.52   ?  175  LEU A CD1  1 
ATOM   2319 C  CD2  . LEU A 1 175 ? -45.851 16.761 19.445  1.00 8.41   ?  175  LEU A CD2  1 
ATOM   2320 H  H    . LEU A 1 175 ? -43.326 14.582 17.102  1.00 7.40   ?  175  LEU A H    1 
ATOM   2321 H  HA   . LEU A 1 175 ? -43.234 15.967 19.423  1.00 7.82   ?  175  LEU A HA   1 
ATOM   2322 H  HB2  . LEU A 1 175 ? -44.795 13.698 18.728  1.00 7.85   ?  175  LEU A HB2  1 
ATOM   2323 H  HB3  . LEU A 1 175 ? -44.977 14.421 20.120  1.00 7.87   ?  175  LEU A HB3  1 
ATOM   2324 H  HG   . LEU A 1 175 ? -45.400 15.805 17.665  1.00 8.45   ?  175  LEU A HG   1 
ATOM   2325 H  HD11 . LEU A 1 175 ? -47.647 15.396 17.801  1.00 9.29   ?  175  LEU A HD11 1 
ATOM   2326 H  HD12 . LEU A 1 175 ? -47.500 14.716 19.229  1.00 9.33   ?  175  LEU A HD12 1 
ATOM   2327 H  HD13 . LEU A 1 175 ? -46.943 13.979 17.937  1.00 9.23   ?  175  LEU A HD13 1 
ATOM   2328 H  HD21 . LEU A 1 175 ? -45.017 17.261 19.415  1.00 8.38   ?  175  LEU A HD21 1 
ATOM   2329 H  HD22 . LEU A 1 175 ? -46.030 16.484 20.361  1.00 8.37   ?  175  LEU A HD22 1 
ATOM   2330 H  HD23 . LEU A 1 175 ? -46.578 17.325 19.130  1.00 8.43   ?  175  LEU A HD23 1 
ATOM   2331 N  N    . ASP A 1 176 ? -41.849 13.069 19.573  1.00 8.25   ?  176  ASP A N    1 
ATOM   2332 C  CA   . ASP A 1 176 ? -40.935 12.290 20.410  1.00 8.43   ?  176  ASP A CA   1 
ATOM   2333 C  C    . ASP A 1 176 ? -39.728 13.133 20.791  1.00 8.74   ?  176  ASP A C    1 
ATOM   2334 O  O    . ASP A 1 176 ? -39.310 13.144 21.954  1.00 9.32   ?  176  ASP A O    1 
ATOM   2335 C  CB   . ASP A 1 176 ? -40.477 11.020 19.700  1.00 10.22  ?  176  ASP A CB   1 
ATOM   2336 C  CG   . ASP A 1 176 ? -41.529 9.959  19.480  1.00 12.84  ?  176  ASP A CG   1 
ATOM   2337 O  OD1  . ASP A 1 176 ? -42.575 9.983  20.151  1.00 14.65  ?  176  ASP A OD1  1 
ATOM   2338 O  OD2  . ASP A 1 176 ? -41.282 9.142  18.561  1.00 18.02  -1 176  ASP A OD2  1 
ATOM   2339 H  H    . ASP A 1 176 ? -42.061 12.765 18.738  1.00 8.19   ?  176  ASP A H    1 
ATOM   2340 H  HA   . ASP A 1 176 ? -41.411 12.033 21.234  1.00 8.52   ?  176  ASP A HA   1 
ATOM   2341 H  HB2  . ASP A 1 176 ? -40.116 11.268 18.824  1.00 10.15  ?  176  ASP A HB2  1 
ATOM   2342 H  HB3  . ASP A 1 176 ? -39.753 10.617 20.220  1.00 10.24  ?  176  ASP A HB3  1 
ATOM   2343 N  N    . ALA A 1 177 ? -39.147 13.838 19.835  1.00 8.20   ?  177  ALA A N    1 
ATOM   2344 C  CA   . ALA A 1 177 ? -37.982 14.676 20.091  1.00 8.16   ?  177  ALA A CA   1 
ATOM   2345 C  C    . ALA A 1 177 ? -38.339 15.880 20.945  1.00 7.43   ?  177  ALA A C    1 
ATOM   2346 O  O    . ALA A 1 177 ? -37.607 16.224 21.860  1.00 8.13   ?  177  ALA A O    1 
ATOM   2347 C  CB   . ALA A 1 177 ? -37.367 15.157 18.787  1.00 8.63   ?  177  ALA A CB   1 
ATOM   2348 H  H    . ALA A 1 177 ? -39.479 13.798 18.984  1.00 8.32   ?  177  ALA A H    1 
ATOM   2349 H  HA   . ALA A 1 177 ? -37.312 14.139 20.575  1.00 8.11   ?  177  ALA A HA   1 
ATOM   2350 H  HB1  . ALA A 1 177 ? -36.591 15.710 18.977  1.00 8.51   ?  177  ALA A HB1  1 
ATOM   2351 H  HB2  . ALA A 1 177 ? -37.095 14.391 18.253  1.00 8.50   ?  177  ALA A HB2  1 
ATOM   2352 H  HB3  . ALA A 1 177 ? -38.021 15.679 18.292  1.00 8.49   ?  177  ALA A HB3  1 
ATOM   2353 N  N    . PHE A 1 178 ? -39.479 16.494 20.649  1.00 7.07   ?  178  PHE A N    1 
ATOM   2354 C  CA   . PHE A 1 178 ? -39.927 17.640 21.409  1.00 6.86   ?  178  PHE A CA   1 
ATOM   2355 C  C    . PHE A 1 178 ? -40.093 17.258 22.893  1.00 7.31   ?  178  PHE A C    1 
ATOM   2356 O  O    . PHE A 1 178 ? -39.722 17.993 23.814  1.00 7.64   ?  178  PHE A O    1 
ATOM   2357 C  CB   . PHE A 1 178 ? -41.210 18.234 20.823  1.00 6.83   ?  178  PHE A CB   1 
ATOM   2358 C  CG   . PHE A 1 178 ? -41.552 19.548 21.459  1.00 6.93   ?  178  PHE A CG   1 
ATOM   2359 C  CD1  . PHE A 1 178 ? -42.320 19.558 22.591  1.00 8.06   ?  178  PHE A CD1  1 
ATOM   2360 C  CD2  . PHE A 1 178 ? -41.104 20.753 20.947  1.00 7.46   ?  178  PHE A CD2  1 
ATOM   2361 C  CE1  . PHE A 1 178 ? -42.575 20.737 23.266  1.00 8.54   ?  178  PHE A CE1  1 
ATOM   2362 C  CE2  . PHE A 1 178 ? -41.420 21.942 21.579  1.00 8.15   ?  178  PHE A CE2  1 
ATOM   2363 C  CZ   . PHE A 1 178 ? -42.097 21.909 22.775  1.00 8.37   ?  178  PHE A CZ   1 
ATOM   2364 H  H    . PHE A 1 178 ? -39.989 16.196 19.952  1.00 7.07   ?  178  PHE A H    1 
ATOM   2365 H  HA   . PHE A 1 178 ? -39.221 18.333 21.355  1.00 6.93   ?  178  PHE A HA   1 
ATOM   2366 H  HB2  . PHE A 1 178 ? -41.092 18.359 19.859  1.00 6.83   ?  178  PHE A HB2  1 
ATOM   2367 H  HB3  . PHE A 1 178 ? -41.947 17.602 20.963  1.00 6.84   ?  178  PHE A HB3  1 
ATOM   2368 H  HD1  . PHE A 1 178 ? -42.590 18.739 22.973  1.00 7.80   ?  178  PHE A HD1  1 
ATOM   2369 H  HD2  . PHE A 1 178 ? -40.585 20.763 20.158  1.00 7.44   ?  178  PHE A HD2  1 
ATOM   2370 H  HE1  . PHE A 1 178 ? -43.093 20.729 24.055  1.00 8.32   ?  178  PHE A HE1  1 
ATOM   2371 H  HE2  . PHE A 1 178 ? -41.090 22.760 21.243  1.00 8.03   ?  178  PHE A HE2  1 
ATOM   2372 H  HZ   . PHE A 1 178 ? -42.344 22.720 23.191  1.00 8.25   ?  178  PHE A HZ   1 
ATOM   2373 N  N    . ASP A 1 179 ? -40.712 16.103 23.126  1.00 7.76   ?  179  ASP A N    1 
ATOM   2374 C  CA   . ASP A 1 179 ? -40.930 15.630 24.486  1.00 8.06   ?  179  ASP A CA   1 
ATOM   2375 C  C    . ASP A 1 179 ? -39.595 15.516 25.212  1.00 7.95   ?  179  ASP A C    1 
ATOM   2376 O  O    . ASP A 1 179 ? -39.509 15.945 26.358  1.00 8.29   ?  179  ASP A O    1 
ATOM   2377 C  CB   . ASP A 1 179 ? -41.672 14.300 24.422  1.00 8.91   ?  179  ASP A CB   1 
ATOM   2378 C  CG   . ASP A 1 179 ? -41.829 13.674 25.780  1.00 11.98  ?  179  ASP A CG   1 
ATOM   2379 O  OD1  . ASP A 1 179 ? -42.554 14.190 26.529  1.00 15.91  ?  179  ASP A OD1  1 
ATOM   2380 O  OD2  . ASP A 1 179 ? -41.149 12.659 26.039  1.00 18.04  -1 179  ASP A OD2  1 
ATOM   2381 H  H    . ASP A 1 179 ? -41.014 15.598 22.426  1.00 7.67   ?  179  ASP A H    1 
ATOM   2382 H  HA   . ASP A 1 179 ? -41.493 16.283 24.959  1.00 8.00   ?  179  ASP A HA   1 
ATOM   2383 H  HB2  . ASP A 1 179 ? -42.560 14.441 24.036  1.00 8.80   ?  179  ASP A HB2  1 
ATOM   2384 H  HB3  . ASP A 1 179 ? -41.179 13.680 23.845  1.00 8.90   ?  179  ASP A HB3  1 
ATOM   2385 N  N    . LEU A 1 180 ? -38.579 14.895 24.617  1.00 7.45   ?  180  LEU A N    1 
ATOM   2386 C  CA   . LEU A 1 180 ? -37.313 14.747 25.299  1.00 7.73   ?  180  LEU A CA   1 
ATOM   2387 C  C    . LEU A 1 180 ? -36.662 16.096 25.544  1.00 7.84   ?  180  LEU A C    1 
ATOM   2388 O  O    . LEU A 1 180 ? -35.986 16.279 26.569  1.00 7.52   ?  180  LEU A O    1 
ATOM   2389 C  CB   . LEU A 1 180 ? -36.407 13.819 24.506  1.00 7.83   ?  180  LEU A CB   1 
ATOM   2390 C  CG   . LEU A 1 180 ? -36.949 12.410 24.360  1.00 8.69   ?  180  LEU A CG   1 
ATOM   2391 C  CD1  . LEU A 1 180 ? -35.978 11.547 23.535  1.00 9.06   ?  180  LEU A CD1  1 
ATOM   2392 C  CD2  . LEU A 1 180 ? -37.220 11.754 25.690  1.00 9.30   ?  180  LEU A CD2  1 
ATOM   2393 H  H    . LEU A 1 180 ? -38.676 14.564 23.771  1.00 7.64   ?  180  LEU A H    1 
ATOM   2394 H  HA   . LEU A 1 180 ? -37.493 14.338 26.177  1.00 7.70   ?  180  LEU A HA   1 
ATOM   2395 H  HB2  . LEU A 1 180 ? -36.272 14.199 23.615  1.00 7.97   ?  180  LEU A HB2  1 
ATOM   2396 H  HB3  . LEU A 1 180 ? -35.536 13.777 24.949  1.00 7.94   ?  180  LEU A HB3  1 
ATOM   2397 H  HG   . LEU A 1 180 ? -37.803 12.460 23.867  1.00 8.60   ?  180  LEU A HG   1 
ATOM   2398 H  HD11 . LEU A 1 180 ? -36.429 10.733 23.249  1.00 8.93   ?  180  LEU A HD11 1 
ATOM   2399 H  HD12 . LEU A 1 180 ? -35.206 11.315 24.080  1.00 8.99   ?  180  LEU A HD12 1 
ATOM   2400 H  HD13 . LEU A 1 180 ? -35.684 12.045 22.753  1.00 8.95   ?  180  LEU A HD13 1 
ATOM   2401 H  HD21 . LEU A 1 180 ? -38.016 12.146 26.091  1.00 9.12   ?  180  LEU A HD21 1 
ATOM   2402 H  HD22 . LEU A 1 180 ? -36.458 11.890 26.280  1.00 9.10   ?  180  LEU A HD22 1 
ATOM   2403 H  HD23 . LEU A 1 180 ? -37.362 10.800 25.558  1.00 9.05   ?  180  LEU A HD23 1 
ATOM   2404 N  N    . LEU A 1 181 ? -36.796 17.022 24.590  1.00 8.01   ?  181  LEU A N    1 
ATOM   2405 C  CA   . LEU A 1 181 ? -36.248 18.365 24.739  1.00 8.38   ?  181  LEU A CA   1 
ATOM   2406 C  C    . LEU A 1 181 ? -36.892 19.077 25.926  1.00 7.54   ?  181  LEU A C    1 
ATOM   2407 O  O    . LEU A 1 181 ? -36.202 19.672 26.748  1.00 7.64   ?  181  LEU A O    1 
ATOM   2408 C  CB   . LEU A 1 181 ? -36.524 19.053 23.401  1.00 9.04   ?  181  LEU A CB   1 
ATOM   2409 C  CG   . LEU A 1 181 ? -35.896 20.410 23.178  1.00 9.62   ?  181  LEU A CG   1 
ATOM   2410 C  CD1  . LEU A 1 181 ? -34.389 20.320 23.223  1.00 9.11   ?  181  LEU A CD1  1 
ATOM   2411 C  CD2  . LEU A 1 181 ? -36.357 20.964 21.845  1.00 10.07  ?  181  LEU A CD2  1 
ATOM   2412 H  H    . LEU A 1 181 ? -37.242 16.810 23.821  1.00 8.03   ?  181  LEU A H    1 
ATOM   2413 H  HA   . LEU A 1 181 ? -35.278 18.294 24.890  1.00 8.24   ?  181  LEU A HA   1 
ATOM   2414 H  HB2  . LEU A 1 181 ? -36.219 18.459 22.686  1.00 8.93   ?  181  LEU A HB2  1 
ATOM   2415 H  HB3  . LEU A 1 181 ? -37.492 19.148 23.305  1.00 8.88   ?  181  LEU A HB3  1 
ATOM   2416 H  HG   . LEU A 1 181 ? -36.198 21.021 23.894  1.00 9.40   ?  181  LEU A HG   1 
ATOM   2417 H  HD11 . LEU A 1 181 ? -34.008 21.212 23.136  1.00 9.21   ?  181  LEU A HD11 1 
ATOM   2418 H  HD12 . LEU A 1 181 ? -34.075 19.762 22.489  1.00 9.24   ?  181  LEU A HD12 1 
ATOM   2419 H  HD13 . LEU A 1 181 ? -34.108 19.931 24.069  1.00 9.10   ?  181  LEU A HD13 1 
ATOM   2420 H  HD21 . LEU A 1 181 ? -37.326 21.048 21.846  1.00 9.97   ?  181  LEU A HD21 1 
ATOM   2421 H  HD22 . LEU A 1 181 ? -36.085 20.361 21.132  1.00 9.98   ?  181  LEU A HD22 1 
ATOM   2422 H  HD23 . LEU A 1 181 ? -35.956 21.839 21.701  1.00 9.93   ?  181  LEU A HD23 1 
ATOM   2423 N  N    . ALA A 1 182 ? -38.214 19.002 25.995  1.00 7.03   ?  182  ALA A N    1 
ATOM   2424 C  CA   . ALA A 1 182 ? -38.932 19.635 27.081  1.00 7.55   ?  182  ALA A CA   1 
ATOM   2425 C  C    . ALA A 1 182 ? -38.577 18.981 28.417  1.00 7.07   ?  182  ALA A C    1 
ATOM   2426 O  O    . ALA A 1 182 ? -38.353 19.640 29.426  1.00 8.73   ?  182  ALA A O    1 
ATOM   2427 C  CB   . ALA A 1 182 ? -40.417 19.547 26.815  1.00 8.52   ?  182  ALA A CB   1 
ATOM   2428 H  H    . ALA A 1 182 ? -38.683 18.554 25.351  1.00 7.14   ?  182  ALA A H    1 
ATOM   2429 H  HA   . ALA A 1 182 ? -38.671 20.585 27.118  1.00 7.46   ?  182  ALA A HA   1 
ATOM   2430 H  HB1  . ALA A 1 182 ? -40.903 19.973 27.540  1.00 8.31   ?  182  ALA A HB1  1 
ATOM   2431 H  HB2  . ALA A 1 182 ? -40.624 19.997 25.978  1.00 8.35   ?  182  ALA A HB2  1 
ATOM   2432 H  HB3  . ALA A 1 182 ? -40.681 18.614 26.753  1.00 8.31   ?  182  ALA A HB3  1 
ATOM   2433 N  N    . GLU A 1 183 ? -38.497 17.657 28.403  1.00 7.47   ?  183  GLU A N    1 
ATOM   2434 C  CA   . GLU A 1 183 ? -38.151 16.925 29.604  1.00 8.11   ?  183  GLU A CA   1 
ATOM   2435 C  C    . GLU A 1 183 ? -36.769 17.337 30.105  1.00 8.24   ?  183  GLU A C    1 
ATOM   2436 O  O    . GLU A 1 183 ? -36.512 17.501 31.310  1.00 9.16   ?  183  GLU A O    1 
ATOM   2437 C  CB   . GLU A 1 183 ? -38.188 15.433 29.312  1.00 8.71   ?  183  GLU A CB   1 
ATOM   2438 C  CG   . GLU A 1 183 ? -37.983 14.577 30.508  1.00 8.97   ?  183  GLU A CG   1 
ATOM   2439 C  CD   . GLU A 1 183 ? -38.089 13.109 30.123  1.00 10.10  ?  183  GLU A CD   1 
ATOM   2440 O  OE1  . GLU A 1 183 ? -37.353 12.695 29.203  1.00 10.18  ?  183  GLU A OE1  1 
ATOM   2441 O  OE2  . GLU A 1 183 ? -38.906 12.381 30.760  1.00 10.34  -1 183  GLU A OE2  1 
ATOM   2442 H  H    . GLU A 1 183 ? -38.668 17.195 27.633  1.00 7.46   ?  183  GLU A H    1 
ATOM   2443 H  HA   . GLU A 1 183 ? -38.817 17.132 30.300  1.00 7.98   ?  183  GLU A HA   1 
ATOM   2444 H  HB2  . GLU A 1 183 ? -39.053 15.215 28.910  1.00 8.59   ?  183  GLU A HB2  1 
ATOM   2445 H  HB3  . GLU A 1 183 ? -37.491 15.230 28.653  1.00 8.63   ?  183  GLU A HB3  1 
ATOM   2446 H  HG2  . GLU A 1 183 ? -37.097 14.746 30.894  1.00 9.01   ?  183  GLU A HG2  1 
ATOM   2447 H  HG3  . GLU A 1 183 ? -38.661 14.784 31.186  1.00 8.95   ?  183  GLU A HG3  1 
ATOM   2448 N  N    . ARG A 1 184 ? -35.827 17.568 29.233  1.00 7.82   ?  184  ARG A N    1 
ATOM   2449 C  CA   . ARG A 1 184 ? -34.477 17.906 29.594  1.00 7.72   ?  184  ARG A CA   1 
ATOM   2450 C  C    . ARG A 1 184 ? -34.362 19.299 30.212  1.00 7.47   ?  184  ARG A C    1 
ATOM   2451 O  O    . ARG A 1 184 ? -33.587 19.485 31.171  1.00 8.52   ?  184  ARG A O    1 
ATOM   2452 C  CB   . ARG A 1 184 ? -33.550 17.829 28.379  1.00 7.08   ?  184  ARG A CB   1 
ATOM   2453 C  CG   . ARG A 1 184 ? -32.068 17.890 28.718  1.00 7.18   ?  184  ARG A CG   1 
ATOM   2454 C  CD   . ARG A 1 184 ? -31.213 17.608 27.511  1.00 7.24   ?  184  ARG A CD   1 
ATOM   2455 N  NE   . ARG A 1 184 ? -29.790 17.530 27.802  1.00 7.11   ?  184  ARG A NE   1 
ATOM   2456 C  CZ   . ARG A 1 184 ? -29.092 16.412 27.906  1.00 8.28   ?  184  ARG A CZ   1 
ATOM   2457 N  NH1  . ARG A 1 184 ? -29.638 15.235 27.633  1.00 10.18  1  184  ARG A NH1  1 
ATOM   2458 N  NH2  . ARG A 1 184 ? -27.834 16.471 28.288  1.00 9.37   ?  184  ARG A NH2  1 
ATOM   2459 H  H    . ARG A 1 184 ? -36.032 17.507 28.344  1.00 7.88   ?  184  ARG A H    1 
ATOM   2460 H  HA   . ARG A 1 184 ? -34.167 17.249 30.259  1.00 7.58   ?  184  ARG A HA   1 
ATOM   2461 H  HB2  . ARG A 1 184 ? -33.731 16.993 27.902  1.00 7.23   ?  184  ARG A HB2  1 
ATOM   2462 H  HB3  . ARG A 1 184 ? -33.766 18.571 27.775  1.00 7.21   ?  184  ARG A HB3  1 
ATOM   2463 H  HG2  . ARG A 1 184 ? -31.848 18.780 29.065  1.00 7.14   ?  184  ARG A HG2  1 
ATOM   2464 H  HG3  . ARG A 1 184 ? -31.865 17.232 29.417  1.00 7.15   ?  184  ARG A HG3  1 
ATOM   2465 H  HD2  . ARG A 1 184 ? -31.504 16.764 27.107  1.00 7.23   ?  184  ARG A HD2  1 
ATOM   2466 H  HD3  . ARG A 1 184 ? -31.359 18.314 26.848  1.00 7.19   ?  184  ARG A HD3  1 
ATOM   2467 H  HE   . ARG A 1 184 ? -29.361 18.281 27.916  1.00 7.31   ?  184  ARG A HE   1 
ATOM   2468 H  HH11 . ARG A 1 184 ? -30.411 15.008 28.015  1.00 9.61   ?  184  ARG A HH11 1 
ATOM   2469 H  HH12 . ARG A 1 184 ? -29.221 14.677 27.076  1.00 9.54   ?  184  ARG A HH12 1 
ATOM   2470 H  HH21 . ARG A 1 184 ? -27.310 15.772 28.173  1.00 9.05   ?  184  ARG A HH21 1 
ATOM   2471 H  HH22 . ARG A 1 184 ? -27.520 17.205 28.658  1.00 9.04   ?  184  ARG A HH22 1 
ATOM   2472 N  N    . TYR A 1 185 ? -35.097 20.274 29.669  1.00 7.21   ?  185  TYR A N    1 
ATOM   2473 C  CA   . TYR A 1 185 ? -34.805 21.668 29.978  1.00 7.61   ?  185  TYR A CA   1 
ATOM   2474 C  C    . TYR A 1 185 ? -35.858 22.400 30.798  1.00 7.52   ?  185  TYR A C    1 
ATOM   2475 O  O    . TYR A 1 185 ? -35.560 23.466 31.313  1.00 8.34   ?  185  TYR A O    1 
ATOM   2476 C  CB   . TYR A 1 185 ? -34.599 22.393 28.638  1.00 7.72   ?  185  TYR A CB   1 
ATOM   2477 C  CG   . TYR A 1 185 ? -33.324 21.991 27.969  1.00 7.65   ?  185  TYR A CG   1 
ATOM   2478 C  CD1  . TYR A 1 185 ? -32.110 22.224 28.554  1.00 7.88   ?  185  TYR A CD1  1 
ATOM   2479 C  CD2  . TYR A 1 185 ? -33.328 21.247 26.807  1.00 7.59   ?  185  TYR A CD2  1 
ATOM   2480 C  CE1  . TYR A 1 185 ? -30.927 21.807 28.000  1.00 7.56   ?  185  TYR A CE1  1 
ATOM   2481 C  CE2  . TYR A 1 185 ? -32.146 20.835 26.222  1.00 7.73   ?  185  TYR A CE2  1 
ATOM   2482 C  CZ   . TYR A 1 185 ? -30.944 21.078 26.827  1.00 6.97   ?  185  TYR A CZ   1 
ATOM   2483 O  OH   . TYR A 1 185 ? -29.790 20.619 26.284  1.00 7.03   ?  185  TYR A OH   1 
ATOM   2484 H  H    . TYR A 1 185 ? -35.783 20.075 29.099  1.00 7.29   ?  185  TYR A H    1 
ATOM   2485 H  HA   . TYR A 1 185 ? -33.954 21.704 30.481  1.00 7.57   ?  185  TYR A HA   1 
ATOM   2486 H  HB2  . TYR A 1 185 ? -35.354 22.189 28.048  1.00 7.66   ?  185  TYR A HB2  1 
ATOM   2487 H  HB3  . TYR A 1 185 ? -34.589 23.359 28.799  1.00 7.69   ?  185  TYR A HB3  1 
ATOM   2488 H  HD1  . TYR A 1 185 ? -32.084 22.700 29.367  1.00 7.76   ?  185  TYR A HD1  1 
ATOM   2489 H  HD2  . TYR A 1 185 ? -34.145 21.053 26.381  1.00 7.61   ?  185  TYR A HD2  1 
ATOM   2490 H  HE1  . TYR A 1 185 ? -30.109 21.988 28.433  1.00 7.45   ?  185  TYR A HE1  1 
ATOM   2491 H  HE2  . TYR A 1 185 ? -32.171 20.328 25.428  1.00 7.52   ?  185  TYR A HE2  1 
ATOM   2492 H  HH   . TYR A 1 185 ? -29.038 20.781 26.680  0.00 7.18   ?  185  TYR A HH   1 
ATOM   2493 N  N    . LEU A 1 186 ? -37.117 21.958 30.827  1.00 7.82   ?  186  LEU A N    1 
ATOM   2494 C  CA   . LEU A 1 186 ? -38.132 22.865 31.350  1.00 8.40   ?  186  LEU A CA   1 
ATOM   2495 C  C    . LEU A 1 186 ? -38.121 22.993 32.862  1.00 9.39   ?  186  LEU A C    1 
ATOM   2496 O  O    . LEU A 1 186 ? -38.764 23.920 33.358  1.00 11.87  ?  186  LEU A O    1 
ATOM   2497 C  CB   . LEU A 1 186 ? -39.526 22.470 30.897  1.00 9.02   ?  186  LEU A CB   1 
ATOM   2498 C  CG   . LEU A 1 186 ? -39.784 22.647 29.413  1.00 11.15  ?  186  LEU A CG   1 
ATOM   2499 C  CD1  . LEU A 1 186 ? -41.299 22.672 29.176  1.00 10.47  ?  186  LEU A CD1  1 
ATOM   2500 C  CD2  . LEU A 1 186 ? -39.025 23.778 28.723  1.00 11.33  ?  186  LEU A CD2  1 
ATOM   2501 H  H    . LEU A 1 186 ? -37.346 21.123 30.535  1.00 7.83   ?  186  LEU A H    1 
ATOM   2502 H  HA   . LEU A 1 186 ? -37.937 23.758 30.986  1.00 8.48   ?  186  LEU A HA   1 
ATOM   2503 H  HB2  . LEU A 1 186 ? -39.672 21.531 31.130  1.00 9.09   ?  186  LEU A HB2  1 
ATOM   2504 H  HB3  . LEU A 1 186 ? -40.178 23.003 31.393  1.00 9.05   ?  186  LEU A HB3  1 
ATOM   2505 H  HG   . LEU A 1 186 ? -39.463 21.816 28.986  1.00 10.61  ?  186  LEU A HG   1 
ATOM   2506 H  HD11 . LEU A 1 186 ? -41.481 22.561 28.226  1.00 10.51  ?  186  LEU A HD11 1 
ATOM   2507 H  HD12 . LEU A 1 186 ? -41.661 23.524 29.477  1.00 10.59  ?  186  LEU A HD12 1 
ATOM   2508 H  HD13 . LEU A 1 186 ? -41.719 21.949 29.673  1.00 10.59  ?  186  LEU A HD13 1 
ATOM   2509 H  HD21 . LEU A 1 186 ? -38.080 23.553 28.671  1.00 11.20  ?  186  LEU A HD21 1 
ATOM   2510 H  HD22 . LEU A 1 186 ? -39.135 24.601 29.230  1.00 11.24  ?  186  LEU A HD22 1 
ATOM   2511 H  HD23 . LEU A 1 186 ? -39.377 23.903 27.824  1.00 11.21  ?  186  LEU A HD23 1 
ATOM   2512 N  N    . GLY A 1 187 ? -37.289 22.223 33.538  1.00 9.76   ?  187  GLY A N    1 
ATOM   2513 C  CA   . GLY A 1 187 ? -37.081 22.397 34.975  1.00 10.75  ?  187  GLY A CA   1 
ATOM   2514 C  C    . GLY A 1 187 ? -36.327 23.659 35.341  1.00 11.34  ?  187  GLY A C    1 
ATOM   2515 O  O    . GLY A 1 187 ? -36.283 24.007 36.511  1.00 15.26  ?  187  GLY A O    1 
ATOM   2516 H  H    . GLY A 1 187 ? -36.846 21.548 33.110  1.00 9.75   ?  187  GLY A H    1 
ATOM   2517 H  HA2  . GLY A 1 187 ? -37.964 22.408 35.423  1.00 10.65  ?  187  GLY A HA2  1 
ATOM   2518 H  HA3  . GLY A 1 187 ? -36.583 21.615 35.318  1.00 10.74  ?  187  GLY A HA3  1 
ATOM   2519 N  N    . SER A 1 188 ? -35.663 24.282 34.386  1.00 10.72  ?  188  SER A N    1 
ATOM   2520 C  CA   . SER A 1 188 ? -34.838 25.445 34.608  1.00 10.10  ?  188  SER A CA   1 
ATOM   2521 C  C    . SER A 1 188 ? -35.697 26.686 34.437  1.00 9.54   ?  188  SER A C    1 
ATOM   2522 O  O    . SER A 1 188 ? -36.257 26.871 33.361  1.00 10.21  ?  188  SER A O    1 
ATOM   2523 C  CB   . SER A 1 188 ? -33.728 25.457 33.625  1.00 11.55  ?  188  SER A CB   1 
ATOM   2524 O  OG   . SER A 1 188 ? -33.015 26.669 33.778  1.00 13.15  ?  188  SER A OG   1 
ATOM   2525 H  H    . SER A 1 188 ? -35.717 23.955 33.535  1.00 10.85  ?  188  SER A H    1 
ATOM   2526 H  HA   . SER A 1 188 ? -34.468 25.419 35.531  1.00 10.10  ?  188  SER A HA   1 
ATOM   2527 H  HB2  . SER A 1 188 ? -33.131 24.694 33.790  1.00 11.55  ?  188  SER A HB2  1 
ATOM   2528 H  HB3  . SER A 1 188 ? -34.087 25.391 32.712  1.00 11.51  ?  188  SER A HB3  1 
ATOM   2529 H  HG   . SER A 1 188 ? -32.398 26.552 34.356  0.00 13.42  ?  188  SER A HG   1 
ATOM   2530 N  N    . ASP A 1 189 ? -35.679 27.618 35.386  1.00 10.84  ?  189  ASP A N    1 
ATOM   2531 C  CA   . ASP A 1 189 ? -36.316 28.898 35.226  1.00 11.30  ?  189  ASP A CA   1 
ATOM   2532 C  C    . ASP A 1 189 ? -35.642 29.742 34.137  1.00 10.28  ?  189  ASP A C    1 
ATOM   2533 O  O    . ASP A 1 189 ? -36.251 30.723 33.661  1.00 10.20  ?  189  ASP A O    1 
ATOM   2534 C  CB   . ASP A 1 189 ? -36.390 29.639 36.542  1.00 14.53  ?  189  ASP A CB   1 
ATOM   2535 C  CG   . ASP A 1 189 ? -37.252 30.874 36.535  1.00 19.32  ?  189  ASP A CG   1 
ATOM   2536 O  OD1  . ASP A 1 189 ? -38.443 30.735 36.101  1.00 26.35  ?  189  ASP A OD1  1 
ATOM   2537 O  OD2  . ASP A 1 189 ? -36.722 31.934 36.948  1.00 25.27  -1 189  ASP A OD2  1 
ATOM   2538 H  H    . ASP A 1 189 ? -35.246 27.442 36.171  1.00 10.40  ?  189  ASP A H    1 
ATOM   2539 H  HA   . ASP A 1 189 ? -37.244 28.729 34.939  1.00 11.15  ?  189  ASP A HA   1 
ATOM   2540 H  HB2  . ASP A 1 189 ? -36.748 29.031 37.216  1.00 13.99  ?  189  ASP A HB2  1 
ATOM   2541 H  HB3  . ASP A 1 189 ? -35.491 29.893 36.818  1.00 14.23  ?  189  ASP A HB3  1 
ATOM   2542 N  N    . THR A 1 190 ? -34.395 29.448 33.768  1.00 8.98   ?  190  THR A N    1 
ATOM   2543 C  CA   . THR A 1 190 ? -33.760 30.139 32.646  1.00 8.10   ?  190  THR A CA   1 
ATOM   2544 C  C    . THR A 1 190 ? -34.539 29.921 31.344  1.00 7.93   ?  190  THR A C    1 
ATOM   2545 O  O    . THR A 1 190 ? -34.521 30.814 30.492  1.00 8.40   ?  190  THR A O    1 
ATOM   2546 C  CB   . THR A 1 190 ? -32.293 29.719 32.596  1.00 8.26   ?  190  THR A CB   1 
ATOM   2547 O  OG1  . THR A 1 190 ? -31.663 30.116 33.824  1.00 10.26  ?  190  THR A OG1  1 
ATOM   2548 C  CG2  . THR A 1 190 ? -31.595 30.290 31.384  1.00 8.24   ?  190  THR A CG2  1 
ATOM   2549 H  H    . THR A 1 190 ? -33.920 28.817 34.226  1.00 8.94   ?  190  THR A H    1 
ATOM   2550 H  HA   . THR A 1 190 ? -33.785 31.103 32.848  1.00 8.22   ?  190  THR A HA   1 
ATOM   2551 H  HB   . THR A 1 190 ? -32.263 28.736 32.534  1.00 8.46   ?  190  THR A HB   1 
ATOM   2552 H  HG1  . THR A 1 190 ? -31.713 30.954 33.906  0.00 10.79  ?  190  THR A HG1  1 
ATOM   2553 H  HG21 . THR A 1 190 ? -30.633 30.158 31.471  1.00 8.26   ?  190  THR A HG21 1 
ATOM   2554 H  HG22 . THR A 1 190 ? -31.785 31.244 31.318  1.00 8.24   ?  190  THR A HG22 1 
ATOM   2555 H  HG23 . THR A 1 190 ? -31.912 29.840 30.581  1.00 8.29   ?  190  THR A HG23 1 
ATOM   2556 N  N    . VAL A 1 191 ? -35.070 28.736 31.209  1.00 7.82   ?  191  VAL A N    1 
ATOM   2557 C  CA   . VAL A 1 191 ? -35.787 28.402 29.981  1.00 7.96   ?  191  VAL A CA   1 
ATOM   2558 C  C    . VAL A 1 191 ? -37.220 28.885 30.121  1.00 8.04   ?  191  VAL A C    1 
ATOM   2559 O  O    . VAL A 1 191 ? -38.079 28.212 30.695  1.00 10.69  ?  191  VAL A O    1 
ATOM   2560 C  CB   . VAL A 1 191 ? -35.702 26.908 29.671  1.00 8.04   ?  191  VAL A CB   1 
ATOM   2561 C  CG1  . VAL A 1 191 ? -36.533 26.566 28.415  1.00 8.95   ?  191  VAL A CG1  1 
ATOM   2562 C  CG2  . VAL A 1 191 ? -34.260 26.494 29.502  1.00 8.79   ?  191  VAL A CG2  1 
ATOM   2563 H  H    . VAL A 1 191 ? -34.990 28.108 31.868  1.00 7.82   ?  191  VAL A H    1 
ATOM   2564 H  HA   . VAL A 1 191 ? -35.371 28.884 29.246  1.00 7.94   ?  191  VAL A HA   1 
ATOM   2565 H  HB   . VAL A 1 191 ? -36.080 26.413 30.440  1.00 8.14   ?  191  VAL A HB   1 
ATOM   2566 H  HG11 . VAL A 1 191 ? -36.315 27.190 27.701  1.00 8.77   ?  191  VAL A HG11 1 
ATOM   2567 H  HG12 . VAL A 1 191 ? -37.482 26.629 28.623  1.00 8.71   ?  191  VAL A HG12 1 
ATOM   2568 H  HG13 . VAL A 1 191 ? -36.326 25.659 28.127  1.00 8.66   ?  191  VAL A HG13 1 
ATOM   2569 H  HG21 . VAL A 1 191 ? -34.219 25.560 29.236  1.00 8.51   ?  191  VAL A HG21 1 
ATOM   2570 H  HG22 . VAL A 1 191 ? -33.786 26.612 30.343  1.00 8.59   ?  191  VAL A HG22 1 
ATOM   2571 H  HG23 . VAL A 1 191 ? -33.843 27.044 28.816  1.00 8.64   ?  191  VAL A HG23 1 
ATOM   2572 N  N    . ALA A 1 192 ? -37.469 30.093 29.634  1.00 8.00   ?  192  ALA A N    1 
ATOM   2573 C  CA   . ALA A 1 192 ? -38.739 30.771 29.828  1.00 8.09   ?  192  ALA A CA   1 
ATOM   2574 C  C    . ALA A 1 192 ? -39.799 30.316 28.824  1.00 7.94   ?  192  ALA A C    1 
ATOM   2575 O  O    . ALA A 1 192 ? -40.988 30.488 29.033  1.00 7.79   ?  192  ALA A O    1 
ATOM   2576 C  CB   . ALA A 1 192 ? -38.518 32.275 29.690  1.00 9.86   ?  192  ALA A CB   1 
ATOM   2577 H  H    . ALA A 1 192 ? -36.818 30.519 29.153  1.00 8.02   ?  192  ALA A H    1 
ATOM   2578 H  HA   . ALA A 1 192 ? -39.065 30.579 30.738  1.00 8.18   ?  192  ALA A HA   1 
ATOM   2579 H  HB1  . ALA A 1 192 ? -39.364 32.740 29.799  1.00 9.30   ?  192  ALA A HB1  1 
ATOM   2580 H  HB2  . ALA A 1 192 ? -37.894 32.576 30.371  1.00 9.38   ?  192  ALA A HB2  1 
ATOM   2581 H  HB3  . ALA A 1 192 ? -38.154 32.471 28.810  1.00 9.51   ?  192  ALA A HB3  1 
ATOM   2582 N  N    . ALA A 1 193 ? -39.349 29.786 27.677  1.00 7.13   ?  193  ALA A N    1 
ATOM   2583 C  CA   . ALA A 1 193 ? -40.269 29.513 26.575  1.00 7.36   ?  193  ALA A CA   1 
ATOM   2584 C  C    . ALA A 1 193 ? -39.651 28.474 25.647  1.00 6.84   ?  193  ALA A C    1 
ATOM   2585 O  O    . ALA A 1 193 ? -38.435 28.358 25.571  1.00 6.75   ?  193  ALA A O    1 
ATOM   2586 C  CB   . ALA A 1 193 ? -40.588 30.786 25.831  1.00 8.03   ?  193  ALA A CB   1 
ATOM   2587 H  H    . ALA A 1 193 ? -38.462 29.594 27.575  1.00 7.29   ?  193  ALA A H    1 
ATOM   2588 H  HA   . ALA A 1 193 ? -41.100 29.144 26.947  1.00 7.27   ?  193  ALA A HA   1 
ATOM   2589 H  HB1  . ALA A 1 193 ? -41.139 30.582 25.058  1.00 7.79   ?  193  ALA A HB1  1 
ATOM   2590 H  HB2  . ALA A 1 193 ? -41.069 31.394 26.418  1.00 7.76   ?  193  ALA A HB2  1 
ATOM   2591 H  HB3  . ALA A 1 193 ? -39.763 31.208 25.538  1.00 7.81   ?  193  ALA A HB3  1 
ATOM   2592 N  N    . ILE A 1 194 ? -40.512 27.757 24.938  1.00 6.94   ?  194  ILE A N    1 
ATOM   2593 C  CA   . ILE A 1 194 ? -40.063 26.747 23.989  1.00 6.70   ?  194  ILE A CA   1 
ATOM   2594 C  C    . ILE A 1 194 ? -40.974 26.815 22.779  1.00 6.54   ?  194  ILE A C    1 
ATOM   2595 O  O    . ILE A 1 194 ? -42.172 26.957 22.883  1.00 6.67   ?  194  ILE A O    1 
ATOM   2596 C  CB   . ILE A 1 194 ? -39.978 25.353 24.667  1.00 7.23   ?  194  ILE A CB   1 
ATOM   2597 C  CG1  . ILE A 1 194 ? -39.363 24.319 23.721  1.00 7.50   ?  194  ILE A CG1  1 
ATOM   2598 C  CG2  . ILE A 1 194 ? -41.328 24.910 25.184  1.00 7.56   ?  194  ILE A CG2  1 
ATOM   2599 C  CD1  . ILE A 1 194 ? -38.929 23.062 24.426  1.00 8.84   ?  194  ILE A CD1  1 
ATOM   2600 H  H    . ILE A 1 194 ? -41.409 27.895 25.045  1.00 6.86   ?  194  ILE A H    1 
ATOM   2601 H  HA   . ILE A 1 194 ? -39.167 26.988 23.702  1.00 6.80   ?  194  ILE A HA   1 
ATOM   2602 H  HB   . ILE A 1 194 ? -39.373 25.438 25.445  1.00 7.21   ?  194  ILE A HB   1 
ATOM   2603 H  HG12 . ILE A 1 194 ? -40.022 24.086 23.033  1.00 7.51   ?  194  ILE A HG12 1 
ATOM   2604 H  HG13 . ILE A 1 194 ? -38.586 24.718 23.275  1.00 7.52   ?  194  ILE A HG13 1 
ATOM   2605 H  HG21 . ILE A 1 194 ? -41.928 24.749 24.435  1.00 7.45   ?  194  ILE A HG21 1 
ATOM   2606 H  HG22 . ILE A 1 194 ? -41.703 25.604 25.754  1.00 7.41   ?  194  ILE A HG22 1 
ATOM   2607 H  HG23 . ILE A 1 194 ? -41.228 24.091 25.699  1.00 7.44   ?  194  ILE A HG23 1 
ATOM   2608 H  HD11 . ILE A 1 194 ? -39.708 22.604 24.787  1.00 8.44   ?  194  ILE A HD11 1 
ATOM   2609 H  HD12 . ILE A 1 194 ? -38.322 23.289 25.152  1.00 8.53   ?  194  ILE A HD12 1 
ATOM   2610 H  HD13 . ILE A 1 194 ? -38.474 22.476 23.796  1.00 8.45   ?  194  ILE A HD13 1 
ATOM   2611 N  N    . GLU A 1 195 ? -40.315 26.784 21.591  1.00 6.31   ?  195  GLU A N    1 
ATOM   2612 C  CA   . GLU A 1 195 ? -41.010 26.943 20.311  1.00 6.21   ?  195  GLU A CA   1 
ATOM   2613 C  C    . GLU A 1 195 ? -41.258 25.600 19.659  1.00 6.68   ?  195  GLU A C    1 
ATOM   2614 O  O    . GLU A 1 195 ? -40.364 24.793 19.450  1.00 6.82   ?  195  GLU A O    1 
ATOM   2615 C  CB   . GLU A 1 195 ? -40.205 27.889 19.428  1.00 6.67   ?  195  GLU A CB   1 
ATOM   2616 C  CG   . GLU A 1 195 ? -40.916 28.320 18.141  1.00 7.02   ?  195  GLU A CG   1 
ATOM   2617 C  CD   . GLU A 1 195 ? -40.339 29.578 17.571  1.00 6.97   ?  195  GLU A CD   1 
ATOM   2618 O  OE1  . GLU A 1 195 ? -39.310 30.029 17.994  1.00 7.29   ?  195  GLU A OE1  1 
ATOM   2619 O  OE2  . GLU A 1 195 ? -41.019 30.115 16.611  1.00 7.67   -1 195  GLU A OE2  1 
ATOM   2620 H  H    . GLU A 1 195 ? -39.410 26.655 21.584  1.00 6.33   ?  195  GLU A H    1 
ATOM   2621 H  HA   . GLU A 1 195 ? -41.878 27.361 20.491  1.00 6.39   ?  195  GLU A HA   1 
ATOM   2622 H  HB2  . GLU A 1 195 ? -39.987 28.687 19.953  1.00 6.63   ?  195  GLU A HB2  1 
ATOM   2623 H  HB3  . GLU A 1 195 ? -39.364 27.449 19.189  1.00 6.62   ?  195  GLU A HB3  1 
ATOM   2624 H  HG2  . GLU A 1 195 ? -40.842 27.605 17.473  1.00 6.94   ?  195  GLU A HG2  1 
ATOM   2625 H  HG3  . GLU A 1 195 ? -41.868 28.463 18.327  1.00 6.96   ?  195  GLU A HG3  1 
ATOM   2626 N  N    . ALA A 1 196 ? -42.522 25.433 19.271  1.00 6.47   ?  196  ALA A N    1 
ATOM   2627 C  CA   . ALA A 1 196 ? -43.001 24.172 18.718  1.00 6.83   ?  196  ALA A CA   1 
ATOM   2628 C  C    . ALA A 1 196 ? -42.176 23.701 17.518  1.00 6.99   ?  196  ALA A C    1 
ATOM   2629 O  O    . ALA A 1 196 ? -41.774 22.561 17.454  1.00 6.92   ?  196  ALA A O    1 
ATOM   2630 C  CB   . ALA A 1 196 ? -44.446 24.346 18.337  1.00 6.82   ?  196  ALA A CB   1 
ATOM   2631 H  H    . ALA A 1 196 ? -43.110 26.128 19.348  1.00 6.53   ?  196  ALA A H    1 
ATOM   2632 H  HA   . ALA A 1 196 ? -42.942 23.484 19.422  1.00 6.81   ?  196  ALA A HA   1 
ATOM   2633 H  HB1  . ALA A 1 196 ? -44.788 23.513 17.971  1.00 6.82   ?  196  ALA A HB1  1 
ATOM   2634 H  HB2  . ALA A 1 196 ? -44.962 24.588 19.124  1.00 6.84   ?  196  ALA A HB2  1 
ATOM   2635 H  HB3  . ALA A 1 196 ? -44.524 25.048 17.670  1.00 6.83   ?  196  ALA A HB3  1 
ATOM   2636 N  N    . ILE A 1 197 ? -41.989 24.580 16.529  1.00 6.84   ?  197  ILE A N    1 
ATOM   2637 C  CA   . ILE A 1 197 ? -41.220 24.267 15.313  1.00 6.87   ?  197  ILE A CA   1 
ATOM   2638 C  C    . ILE A 1 197 ? -40.949 25.584 14.587  1.00 6.84   ?  197  ILE A C    1 
ATOM   2639 O  O    . ILE A 1 197 ? -41.826 26.417 14.428  1.00 6.97   ?  197  ILE A O    1 
ATOM   2640 C  CB   . ILE A 1 197 ? -41.963 23.247 14.420  1.00 7.21   ?  197  ILE A CB   1 
ATOM   2641 C  CG1  . ILE A 1 197 ? -41.048 22.775 13.286  1.00 7.63   ?  197  ILE A CG1  1 
ATOM   2642 C  CG2  . ILE A 1 197 ? -43.324 23.751 13.909  1.00 7.57   ?  197  ILE A CG2  1 
ATOM   2643 C  CD1  . ILE A 1 197 ? -39.823 22.026 13.742  1.00 9.44   ?  197  ILE A CD1  1 
ATOM   2644 H  H    . ILE A 1 197 ? -42.358 25.413 16.608  1.00 6.87   ?  197  ILE A H    1 
ATOM   2645 H  HA   . ILE A 1 197 ? -40.375 23.880 15.583  1.00 6.94   ?  197  ILE A HA   1 
ATOM   2646 H  HB   . ILE A 1 197 ? -42.146 22.454 14.982  1.00 7.24   ?  197  ILE A HB   1 
ATOM   2647 H  HG12 . ILE A 1 197 ? -41.565 22.193 12.689  1.00 7.69   ?  197  ILE A HG12 1 
ATOM   2648 H  HG13 . ILE A 1 197 ? -40.762 23.556 12.766  1.00 7.66   ?  197  ILE A HG13 1 
ATOM   2649 H  HG21 . ILE A 1 197 ? -43.188 24.478 13.276  1.00 7.50   ?  197  ILE A HG21 1 
ATOM   2650 H  HG22 . ILE A 1 197 ? -43.857 24.071 14.658  1.00 7.53   ?  197  ILE A HG22 1 
ATOM   2651 H  HG23 . ILE A 1 197 ? -43.795 23.024 13.466  1.00 7.49   ?  197  ILE A HG23 1 
ATOM   2652 H  HD11 . ILE A 1 197 ? -40.086 21.307 14.344  1.00 8.84   ?  197  ILE A HD11 1 
ATOM   2653 H  HD12 . ILE A 1 197 ? -39.222 22.631 14.204  1.00 8.72   ?  197  ILE A HD12 1 
ATOM   2654 H  HD13 . ILE A 1 197 ? -39.367 21.649 12.970  1.00 8.86   ?  197  ILE A HD13 1 
ATOM   2655 N  N    . ASN A 1 198 ? -39.716 25.741 14.124  1.00 6.67   ?  198  ASN A N    1 
ATOM   2656 C  CA   . ASN A 1 198 ? -39.387 26.944 13.394  1.00 6.76   ?  198  ASN A CA   1 
ATOM   2657 C  C    . ASN A 1 198 ? -39.978 26.931 11.975  1.00 6.57   ?  198  ASN A C    1 
ATOM   2658 O  O    . ASN A 1 198 ? -39.841 25.949 11.260  1.00 6.89   ?  198  ASN A O    1 
ATOM   2659 C  CB   . ASN A 1 198 ? -37.883 27.047 13.210  1.00 6.43   ?  198  ASN A CB   1 
ATOM   2660 C  CG   . ASN A 1 198 ? -37.527 28.336 12.514  1.00 6.68   ?  198  ASN A CG   1 
ATOM   2661 O  OD1  . ASN A 1 198 ? -37.778 29.427 13.018  1.00 6.94   ?  198  ASN A OD1  1 
ATOM   2662 N  ND2  . ASN A 1 198 ? -36.954 28.250 11.316  1.00 6.88   ?  198  ASN A ND2  1 
ATOM   2663 H  H    . ASN A 1 198 ? -39.077 25.101 14.258  1.00 6.69   ?  198  ASN A H    1 
ATOM   2664 H  HA   . ASN A 1 198 ? -39.706 27.735 13.890  1.00 6.69   ?  198  ASN A HA   1 
ATOM   2665 H  HB2  . ASN A 1 198 ? -37.448 27.020 14.085  1.00 6.52   ?  198  ASN A HB2  1 
ATOM   2666 H  HB3  . ASN A 1 198 ? -37.566 26.287 12.680  1.00 6.48   ?  198  ASN A HB3  1 
ATOM   2667 H  HD21 . ASN A 1 198 ? -36.836 27.460 10.935  1.00 6.86   ?  198  ASN A HD21 1 
ATOM   2668 H  HD22 . ASN A 1 198 ? -36.691 28.983 10.898  1.00 6.79   ?  198  ASN A HD22 1 
ATOM   2669 N  N    . GLU A 1 199 ? -40.660 28.016 11.632  1.00 7.29   ?  199  GLU A N    1 
ATOM   2670 C  CA   . GLU A 1 199 ? -41.071 28.273 10.252  1.00 7.39   ?  199  GLU A CA   1 
ATOM   2671 C  C    . GLU A 1 199 ? -41.677 27.037 9.600   1.00 7.18   ?  199  GLU A C    1 
ATOM   2672 O  O    . GLU A 1 199 ? -41.254 26.661 8.485   1.00 7.36   ?  199  GLU A O    1 
ATOM   2673 C  CB   . GLU A 1 199 ? -39.916 28.850 9.421   1.00 7.73   ?  199  GLU A CB   1 
ATOM   2674 C  CG   . GLU A 1 199 ? -39.509 30.215 9.882   1.00 8.43   ?  199  GLU A CG   1 
ATOM   2675 C  CD   . GLU A 1 199 ? -38.538 30.926 8.949   1.00 10.09  ?  199  GLU A CD   1 
ATOM   2676 O  OE1  . GLU A 1 199 ? -38.037 30.264 8.034   1.00 12.72  ?  199  GLU A OE1  1 
ATOM   2677 O  OE2  . GLU A 1 199 ? -38.249 32.123 9.149   1.00 12.88  -1 199  GLU A OE2  1 
ATOM   2678 H  H    . GLU A 1 199 ? -40.885 28.625 12.275  1.00 7.11   ?  199  GLU A H    1 
ATOM   2679 H  HA   . GLU A 1 199 ? -41.775 28.957 10.286  1.00 7.44   ?  199  GLU A HA   1 
ATOM   2680 H  HB2  . GLU A 1 199 ? -39.148 28.245 9.482   1.00 7.77   ?  199  GLU A HB2  1 
ATOM   2681 H  HB3  . GLU A 1 199 ? -40.194 28.898 8.483   1.00 7.79   ?  199  GLU A HB3  1 
ATOM   2682 H  HG2  . GLU A 1 199 ? -40.309 30.771 9.980   1.00 8.54   ?  199  GLU A HG2  1 
ATOM   2683 H  HG3  . GLU A 1 199 ? -39.091 30.141 10.766  1.00 8.46   ?  199  GLU A HG3  1 
ATOM   2684 N  N    . PRO A 1 200 ? -42.784 26.485 10.103  1.00 7.14   ?  200  PRO A N    1 
ATOM   2685 C  CA   . PRO A 1 200 ? -43.542 25.499 9.335   1.00 7.13   ?  200  PRO A CA   1 
ATOM   2686 C  C    . PRO A 1 200 ? -44.119 26.240 8.132   1.00 7.55   ?  200  PRO A C    1 
ATOM   2687 O  O    . PRO A 1 200 ? -44.697 27.318 8.229   1.00 8.65   ?  200  PRO A O    1 
ATOM   2688 C  CB   . PRO A 1 200 ? -44.639 25.083 10.322  1.00 7.06   ?  200  PRO A CB   1 
ATOM   2689 C  CG   . PRO A 1 200 ? -44.849 26.290 11.218  1.00 7.46   ?  200  PRO A CG   1 
ATOM   2690 C  CD   . PRO A 1 200 ? -43.473 26.911 11.349  1.00 7.45   ?  200  PRO A CD   1 
ATOM   2691 H  HA   . PRO A 1 200 ? -42.975 24.731 9.072   1.00 7.21   ?  200  PRO A HA   1 
ATOM   2692 H  HB2  . PRO A 1 200 ? -45.467 24.855 9.848   1.00 7.14   ?  200  PRO A HB2  1 
ATOM   2693 H  HB3  . PRO A 1 200 ? -44.355 24.306 10.849  1.00 7.15   ?  200  PRO A HB3  1 
ATOM   2694 H  HG2  . PRO A 1 200 ? -45.478 26.921 10.811  1.00 7.39   ?  200  PRO A HG2  1 
ATOM   2695 H  HG3  . PRO A 1 200 ? -45.194 26.018 12.093  1.00 7.36   ?  200  PRO A HG3  1 
ATOM   2696 H  HD2  . PRO A 1 200 ? -43.531 27.882 11.406  1.00 7.38   ?  200  PRO A HD2  1 
ATOM   2697 H  HD3  . PRO A 1 200 ? -43.009 26.573 12.137  1.00 7.32   ?  200  PRO A HD3  1 
ATOM   2698 N  N    . ASN A 1 201 ? -43.901 25.677 6.940   1.00 7.36   ?  201  ASN A N    1 
ATOM   2699 C  CA   . ASN A 1 201 ? -44.097 26.427 5.720   1.00 7.60   ?  201  ASN A CA   1 
ATOM   2700 C  C    . ASN A 1 201 ? -45.475 26.164 5.113   1.00 7.33   ?  201  ASN A C    1 
ATOM   2701 O  O    . ASN A 1 201 ? -45.638 25.306 4.242   1.00 7.94   ?  201  ASN A O    1 
ATOM   2702 C  CB   . ASN A 1 201 ? -42.964 26.111 4.752   1.00 7.92   ?  201  ASN A CB   1 
ATOM   2703 C  CG   . ASN A 1 201 ? -42.936 26.980 3.497   1.00 8.54   ?  201  ASN A CG   1 
ATOM   2704 O  OD1  . ASN A 1 201 ? -43.839 27.768 3.275   1.00 8.33   ?  201  ASN A OD1  1 
ATOM   2705 N  ND2  . ASN A 1 201 ? -41.837 26.859 2.783   1.00 9.30   ?  201  ASN A ND2  1 
ATOM   2706 H  H    . ASN A 1 201 ? -43.622 24.808 6.889   1.00 7.39   ?  201  ASN A H    1 
ATOM   2707 H  HA   . ASN A 1 201 ? -44.034 27.386 5.936   1.00 7.60   ?  201  ASN A HA   1 
ATOM   2708 H  HB2  . ASN A 1 201 ? -42.116 26.220 5.225   1.00 7.95   ?  201  ASN A HB2  1 
ATOM   2709 H  HB3  . ASN A 1 201 ? -43.037 25.173 4.483   1.00 7.93   ?  201  ASN A HB3  1 
ATOM   2710 H  HD21 . ASN A 1 201 ? -41.207 26.291 3.031   1.00 9.05   ?  201  ASN A HD21 1 
ATOM   2711 H  HD22 . ASN A 1 201 ? -41.729 27.346 2.054   1.00 9.01   ?  201  ASN A HD22 1 
ATOM   2712 N  N    . ILE A 1 202 ? -46.495 26.869 5.608   1.00 7.67   ?  202  ILE A N    1 
ATOM   2713 C  CA   . ILE A 1 202 ? -47.854 26.649 5.149   1.00 7.88   ?  202  ILE A CA   1 
ATOM   2714 C  C    . ILE A 1 202 ? -47.973 26.912 3.650   1.00 8.38   ?  202  ILE A C    1 
ATOM   2715 O  O    . ILE A 1 202 ? -48.498 26.054 2.940   1.00 8.73   ?  202  ILE A O    1 
ATOM   2716 C  CB   . ILE A 1 202 ? -48.888 27.365 6.039   1.00 7.91   ?  202  ILE A CB   1 
ATOM   2717 C  CG1  . ILE A 1 202 ? -48.882 26.768 7.454   1.00 8.41   ?  202  ILE A CG1  1 
ATOM   2718 C  CG2  . ILE A 1 202 ? -50.265 27.285 5.408   1.00 8.50   ?  202  ILE A CG2  1 
ATOM   2719 C  CD1  . ILE A 1 202 ? -49.765 27.526 8.410   1.00 8.95   ?  202  ILE A CD1  1 
ATOM   2720 H  H    . ILE A 1 202 ? -46.340 27.505 6.246   1.00 7.58   ?  202  ILE A H    1 
ATOM   2721 H  HA   . ILE A 1 202 ? -48.023 25.698 5.267   1.00 7.94   ?  202  ILE A HA   1 
ATOM   2722 H  HB   . ILE A 1 202 ? -48.633 28.317 6.107   1.00 8.03   ?  202  ILE A HB   1 
ATOM   2723 H  HG12 . ILE A 1 202 ? -49.188 25.837 7.408   1.00 8.37   ?  202  ILE A HG12 1 
ATOM   2724 H  HG13 . ILE A 1 202 ? -47.964 26.771 7.799   1.00 8.35   ?  202  ILE A HG13 1 
ATOM   2725 H  HG21 . ILE A 1 202 ? -50.502 26.352 5.260   1.00 8.30   ?  202  ILE A HG21 1 
ATOM   2726 H  HG22 . ILE A 1 202 ? -50.263 27.755 4.556   1.00 8.33   ?  202  ILE A HG22 1 
ATOM   2727 H  HG23 . ILE A 1 202 ? -50.921 27.694 5.997   1.00 8.28   ?  202  ILE A HG23 1 
ATOM   2728 H  HD11 . ILE A 1 202 ? -50.700 27.369 8.189   1.00 8.84   ?  202  ILE A HD11 1 
ATOM   2729 H  HD12 . ILE A 1 202 ? -49.573 28.478 8.345   1.00 8.81   ?  202  ILE A HD12 1 
ATOM   2730 H  HD13 . ILE A 1 202 ? -49.595 27.224 9.319   1.00 8.79   ?  202  ILE A HD13 1 
ATOM   2731 N  N    . PRO A 1 203 ? -47.482 28.043 3.136   1.00 8.51   ?  203  PRO A N    1 
ATOM   2732 C  CA   . PRO A 1 203 ? -47.637 28.276 1.695   1.00 8.91   ?  203  PRO A CA   1 
ATOM   2733 C  C    . PRO A 1 203 ? -46.853 27.276 0.875   1.00 8.99   ?  203  PRO A C    1 
ATOM   2734 O  O    . PRO A 1 203 ? -47.163 27.079 -0.314  1.00 10.94  ?  203  PRO A O    1 
ATOM   2735 C  CB   . PRO A 1 203 ? -47.140 29.701 1.507   1.00 8.99   ?  203  PRO A CB   1 
ATOM   2736 C  CG   . PRO A 1 203 ? -47.296 30.340 2.852   1.00 9.29   ?  203  PRO A CG   1 
ATOM   2737 C  CD   . PRO A 1 203 ? -46.969 29.234 3.823   1.00 9.22   ?  203  PRO A CD   1 
ATOM   2738 H  HA   . PRO A 1 203 ? -48.597 28.231 1.457   1.00 8.83   ?  203  PRO A HA   1 
ATOM   2739 H  HB2  . PRO A 1 203 ? -46.200 29.710 1.225   1.00 9.01   ?  203  PRO A HB2  1 
ATOM   2740 H  HB3  . PRO A 1 203 ? -47.675 30.172 0.834   1.00 9.00   ?  203  PRO A HB3  1 
ATOM   2741 H  HG2  . PRO A 1 203 ? -46.678 31.091 2.958   1.00 9.17   ?  203  PRO A HG2  1 
ATOM   2742 H  HG3  . PRO A 1 203 ? -48.212 30.660 2.983   1.00 9.20   ?  203  PRO A HG3  1 
ATOM   2743 H  HD2  . PRO A 1 203 ? -46.008 29.168 3.974   1.00 9.06   ?  203  PRO A HD2  1 
ATOM   2744 H  HD3  . PRO A 1 203 ? -47.419 29.372 4.676   1.00 9.00   ?  203  PRO A HD3  1 
ATOM   2745 N  N    . GLY A 1 204 ? -45.826 26.666 1.434   1.00 8.97   ?  204  GLY A N    1 
ATOM   2746 C  CA   . GLY A 1 204 ? -45.092 25.597 0.786   1.00 9.16   ?  204  GLY A CA   1 
ATOM   2747 C  C    . GLY A 1 204 ? -45.706 24.230 0.903   1.00 9.42   ?  204  GLY A C    1 
ATOM   2748 O  O    . GLY A 1 204 ? -45.215 23.300 0.278   1.00 10.73  ?  204  GLY A O    1 
ATOM   2749 H  H    . GLY A 1 204 ? -45.551 26.938 2.261   1.00 9.03   ?  204  GLY A H    1 
ATOM   2750 H  HA2  . GLY A 1 204 ? -44.993 25.819 -0.173  1.00 9.15   ?  204  GLY A HA2  1 
ATOM   2751 H  HA3  . GLY A 1 204 ? -44.181 25.569 1.173   1.00 9.13   ?  204  GLY A HA3  1 
ATOM   2752 N  N    . GLY A 1 205 ? -46.834 24.078 1.596   1.00 9.21   ?  205  GLY A N    1 
ATOM   2753 C  CA   . GLY A 1 205 ? -47.588 22.847 1.609   1.00 9.84   ?  205  GLY A CA   1 
ATOM   2754 C  C    . GLY A 1 205 ? -47.792 22.208 2.981   1.00 8.97   ?  205  GLY A C    1 
ATOM   2755 O  O    . GLY A 1 205 ? -48.440 21.180 3.058   1.00 10.25  ?  205  GLY A O    1 
ATOM   2756 H  H    . GLY A 1 205 ? -47.146 24.780 2.090   1.00 9.25   ?  205  GLY A H    1 
ATOM   2757 H  HA2  . GLY A 1 205 ? -48.477 23.026 1.210   1.00 9.50   ?  205  GLY A HA2  1 
ATOM   2758 H  HA3  . GLY A 1 205 ? -47.136 22.193 1.021   1.00 9.51   ?  205  GLY A HA3  1 
ATOM   2759 N  N    . VAL A 1 206 ? -47.297 22.819 4.070   1.00 8.02   ?  206  VAL A N    1 
ATOM   2760 C  CA   . VAL A 1 206 ? -47.662 22.315 5.393   1.00 7.72   ?  206  VAL A CA   1 
ATOM   2761 C  C    . VAL A 1 206 ? -49.158 22.567 5.631   1.00 7.75   ?  206  VAL A C    1 
ATOM   2762 O  O    . VAL A 1 206 ? -49.653 23.669 5.444   1.00 7.97   ?  206  VAL A O    1 
ATOM   2763 C  CB   . VAL A 1 206 ? -46.801 22.974 6.466   1.00 7.81   ?  206  VAL A CB   1 
ATOM   2764 C  CG1  . VAL A 1 206 ? -47.341 22.670 7.848   1.00 8.08   ?  206  VAL A CG1  1 
ATOM   2765 C  CG2  . VAL A 1 206 ? -45.358 22.534 6.359   1.00 8.02   ?  206  VAL A CG2  1 
ATOM   2766 H  H    . VAL A 1 206 ? -46.734 23.535 3.996   1.00 8.14   ?  206  VAL A H    1 
ATOM   2767 H  HA   . VAL A 1 206 ? -47.499 21.355 5.413   1.00 7.79   ?  206  VAL A HA   1 
ATOM   2768 H  HB   . VAL A 1 206 ? -46.838 23.951 6.328   1.00 7.86   ?  206  VAL A HB   1 
ATOM   2769 H  HG11 . VAL A 1 206 ? -47.511 21.715 7.927   1.00 8.01   ?  206  VAL A HG11 1 
ATOM   2770 H  HG12 . VAL A 1 206 ? -48.169 23.161 7.992   1.00 8.01   ?  206  VAL A HG12 1 
ATOM   2771 H  HG13 . VAL A 1 206 ? -46.688 22.938 8.519   1.00 8.00   ?  206  VAL A HG13 1 
ATOM   2772 H  HG21 . VAL A 1 206 ? -44.854 22.884 7.113   1.00 7.97   ?  206  VAL A HG21 1 
ATOM   2773 H  HG22 . VAL A 1 206 ? -44.976 22.871 5.530   1.00 7.97   ?  206  VAL A HG22 1 
ATOM   2774 H  HG23 . VAL A 1 206 ? -45.313 21.562 6.364   1.00 7.95   ?  206  VAL A HG23 1 
ATOM   2775 N  N    . ASP A 1 207 ? -49.866 21.530 6.008   1.00 7.69   ?  207  ASP A N    1 
ATOM   2776 C  CA   . ASP A 1 207 ? -51.283 21.593 6.265   1.00 8.48   ?  207  ASP A CA   1 
ATOM   2777 C  C    . ASP A 1 207 ? -51.550 22.295 7.594   1.00 8.05   ?  207  ASP A C    1 
ATOM   2778 O  O    . ASP A 1 207 ? -51.055 21.857 8.634   1.00 8.67   ?  207  ASP A O    1 
ATOM   2779 C  CB   . ASP A 1 207 ? -51.872 20.196 6.248   1.00 9.34   ?  207  ASP A CB   1 
ATOM   2780 C  CG   . ASP A 1 207 ? -53.367 20.249 6.448   1.00 10.69  ?  207  ASP A CG   1 
ATOM   2781 O  OD1  . ASP A 1 207 ? -54.062 20.625 5.502   1.00 15.38  ?  207  ASP A OD1  1 
ATOM   2782 O  OD2  . ASP A 1 207 ? -53.839 20.027 7.545   1.00 11.71  -1 207  ASP A OD2  1 
ATOM   2783 H  H    . ASP A 1 207 ? -49.444 20.726 6.113   1.00 7.82   ?  207  ASP A H    1 
ATOM   2784 H  HA   . ASP A 1 207 ? -51.706 22.114 5.542   1.00 8.37   ?  207  ASP A HA   1 
ATOM   2785 H  HB2  . ASP A 1 207 ? -51.679 19.766 5.390   1.00 9.25   ?  207  ASP A HB2  1 
ATOM   2786 H  HB3  . ASP A 1 207 ? -51.472 19.660 6.963   1.00 9.27   ?  207  ASP A HB3  1 
ATOM   2787 N  N    . GLN A 1 208 ? -52.335 23.362 7.588   1.00 8.36   ?  208  GLN A N    1 
ATOM   2788 C  CA   . GLN A 1 208 ? -52.575 24.116 8.801   1.00 8.45   ?  208  GLN A CA   1 
ATOM   2789 C  C    . GLN A 1 208 ? -53.372 23.324 9.824   1.00 8.29   ?  208  GLN A C    1 
ATOM   2790 O  O    . GLN A 1 208 ? -53.070 23.439 11.006  1.00 8.12   ?  208  GLN A O    1 
ATOM   2791 C  CB   . GLN A 1 208 ? -53.253 25.427 8.443   1.00 10.02  ?  208  GLN A CB   1 
ATOM   2792 C  CG   . GLN A 1 208 ? -53.430 26.267 9.671   1.00 12.35  ?  208  GLN A CG   1 
ATOM   2793 C  CD   . GLN A 1 208 ? -53.979 27.627 9.422   1.00 14.71  ?  208  GLN A CD   1 
ATOM   2794 O  OE1  . GLN A 1 208 ? -54.340 27.992 8.307   1.00 15.44  ?  208  GLN A OE1  1 
ATOM   2795 N  NE2  . GLN A 1 208 ? -53.913 28.401 10.510  1.00 18.56  ?  208  GLN A NE2  1 
ATOM   2796 H  H    . GLN A 1 208 ? -52.735 23.629 6.810   1.00 8.27   ?  208  GLN A H    1 
ATOM   2797 H  HA   . GLN A 1 208 ? -51.698 24.327 9.198   1.00 8.52   ?  208  GLN A HA   1 
ATOM   2798 H  HB2  . GLN A 1 208 ? -52.704 25.907 7.788   1.00 9.88   ?  208  GLN A HB2  1 
ATOM   2799 H  HB3  . GLN A 1 208 ? -54.127 25.239 8.040   1.00 9.91   ?  208  GLN A HB3  1 
ATOM   2800 H  HG2  . GLN A 1 208 ? -54.030 25.801 10.290  1.00 12.03  ?  208  GLN A HG2  1 
ATOM   2801 H  HG3  . GLN A 1 208 ? -52.561 26.357 10.117  1.00 12.03  ?  208  GLN A HG3  1 
ATOM   2802 H  HE21 . GLN A 1 208 ? -53.567 28.086 11.259  1.00 17.29  ?  208  GLN A HE21 1 
ATOM   2803 H  HE22 . GLN A 1 208 ? -54.216 29.231 10.480  1.00 17.26  ?  208  GLN A HE22 1 
ATOM   2804 N  N    . GLY A 1 209 ? -54.339 22.538 9.399   1.00 7.88   ?  209  GLY A N    1 
ATOM   2805 C  CA   . GLY A 1 209 ? -55.140 21.824 10.380  1.00 7.93   ?  209  GLY A CA   1 
ATOM   2806 C  C    . GLY A 1 209 ? -54.256 20.836 11.124  1.00 7.88   ?  209  GLY A C    1 
ATOM   2807 O  O    . GLY A 1 209 ? -54.319 20.748 12.377  1.00 8.22   ?  209  GLY A O    1 
ATOM   2808 H  H    . GLY A 1 209 ? -54.516 22.439 8.507   1.00 7.99   ?  209  GLY A H    1 
ATOM   2809 H  HA2  . GLY A 1 209 ? -55.534 22.470 11.019  1.00 7.90   ?  209  GLY A HA2  1 
ATOM   2810 H  HA3  . GLY A 1 209 ? -55.871 21.341 9.921   1.00 7.87   ?  209  GLY A HA3  1 
ATOM   2811 N  N    . LYS A 1 210 ? -53.386 20.128 10.398  1.00 8.12   ?  210  LYS A N    1 
ATOM   2812 C  CA   . LYS A 1 210 ? -52.461 19.210 11.044  1.00 8.32   ?  210  LYS A CA   1 
ATOM   2813 C  C    . LYS A 1 210 ? -51.467 19.973 11.905  1.00 7.53   ?  210  LYS A C    1 
ATOM   2814 O  O    . LYS A 1 210 ? -51.123 19.514 13.003  1.00 8.41   ?  210  LYS A O    1 
ATOM   2815 C  CB   . LYS A 1 210 ? -51.764 18.324 10.027  1.00 9.26   ?  210  LYS A CB   1 
ATOM   2816 C  CG   . LYS A 1 210 ? -52.668 17.261 9.464   1.00 12.16  ?  210  LYS A CG   1 
ATOM   2817 C  CD   . LYS A 1 210 ? -52.012 16.443 8.384   1.00 15.85  ?  210  LYS A CD   1 
ATOM   2818 C  CE   . LYS A 1 210 ? -52.990 15.430 7.830   1.00 21.72  ?  210  LYS A CE   1 
ATOM   2819 N  NZ   . LYS A 1 210 ? -52.396 14.689 6.707   1.00 27.42  1  210  LYS A NZ   1 
ATOM   2820 H  H    . LYS A 1 210 ? -53.370 20.212 9.487   1.00 8.11   ?  210  LYS A H    1 
ATOM   2821 H  HA   . LYS A 1 210 ? -52.989 18.628 11.639  1.00 8.23   ?  210  LYS A HA   1 
ATOM   2822 H  HB2  . LYS A 1 210 ? -51.432 18.882 9.293   1.00 9.40   ?  210  LYS A HB2  1 
ATOM   2823 H  HB3  . LYS A 1 210 ? -50.995 17.893 10.455  1.00 9.43   ?  210  LYS A HB3  1 
ATOM   2824 H  HG2  . LYS A 1 210 ? -52.949 16.666 10.191  1.00 11.93  ?  210  LYS A HG2  1 
ATOM   2825 H  HG3  . LYS A 1 210 ? -53.471 17.689 9.098   1.00 11.85  ?  210  LYS A HG3  1 
ATOM   2826 H  HD2  . LYS A 1 210 ? -51.709 17.034 7.662   1.00 15.54  ?  210  LYS A HD2  1 
ATOM   2827 H  HD3  . LYS A 1 210 ? -51.232 15.976 8.753   1.00 15.66  ?  210  LYS A HD3  1 
ATOM   2828 H  HE2  . LYS A 1 210 ? -53.244 14.800 8.531   1.00 21.06  ?  210  LYS A HE2  1 
ATOM   2829 H  HE3  . LYS A 1 210 ? -53.797 15.885 7.523   1.00 20.98  ?  210  LYS A HE3  1 
ATOM   2830 H  HZ1  . LYS A 1 210 ? -51.642 14.268 6.982   1.00 25.68  ?  210  LYS A HZ1  1 
ATOM   2831 H  HZ2  . LYS A 1 210 ? -52.189 15.263 6.036   1.00 25.75  ?  210  LYS A HZ2  1 
ATOM   2832 H  HZ3  . LYS A 1 210 ? -52.986 14.072 6.400   1.00 25.90  ?  210  LYS A HZ3  1 
ATOM   2833 N  N    . LEU A 1 211 ? -51.007 21.127 11.452  1.00 7.47   ?  211  LEU A N    1 
ATOM   2834 C  CA   . LEU A 1 211 ? -50.092 21.944 12.235  1.00 6.97   ?  211  LEU A CA   1 
ATOM   2835 C  C    . LEU A 1 211 ? -50.751 22.303 13.560  1.00 7.27   ?  211  LEU A C    1 
ATOM   2836 O  O    . LEU A 1 211 ? -50.083 22.259 14.615  1.00 7.30   ?  211  LEU A O    1 
ATOM   2837 C  CB   . LEU A 1 211 ? -49.675 23.190 11.470  1.00 7.35   ?  211  LEU A CB   1 
ATOM   2838 C  CG   . LEU A 1 211 ? -48.741 24.146 12.207  1.00 6.93   ?  211  LEU A CG   1 
ATOM   2839 C  CD1  . LEU A 1 211 ? -47.403 23.519 12.490  1.00 7.33   ?  211  LEU A CD1  1 
ATOM   2840 C  CD2  . LEU A 1 211 ? -48.581 25.437 11.419  1.00 6.87   ?  211  LEU A CD2  1 
ATOM   2841 H  H    . LEU A 1 211 ? -51.261 21.419 10.624  1.00 7.36   ?  211  LEU A H    1 
ATOM   2842 H  HA   . LEU A 1 211 ? -49.293 21.402 12.425  1.00 7.15   ?  211  LEU A HA   1 
ATOM   2843 H  HB2  . LEU A 1 211 ? -49.237 22.908 10.642  1.00 7.15   ?  211  LEU A HB2  1 
ATOM   2844 H  HB3  . LEU A 1 211 ? -50.483 23.681 11.221  1.00 7.22   ?  211  LEU A HB3  1 
ATOM   2845 H  HG   . LEU A 1 211 ? -49.158 24.373 13.074  1.00 7.05   ?  211  LEU A HG   1 
ATOM   2846 H  HD11 . LEU A 1 211 ? -46.846 24.150 12.978  1.00 7.20   ?  211  LEU A HD11 1 
ATOM   2847 H  HD12 . LEU A 1 211 ? -46.969 23.287 11.650  1.00 7.24   ?  211  LEU A HD12 1 
ATOM   2848 H  HD13 . LEU A 1 211 ? -47.526 22.715 13.025  1.00 7.20   ?  211  LEU A HD13 1 
ATOM   2849 H  HD21 . LEU A 1 211 ? -49.449 25.863 11.313  1.00 6.86   ?  211  LEU A HD21 1 
ATOM   2850 H  HD22 . LEU A 1 211 ? -48.209 25.239 10.542  1.00 6.88   ?  211  LEU A HD22 1 
ATOM   2851 H  HD23 . LEU A 1 211 ? -47.982 26.037 11.897  1.00 6.91   ?  211  LEU A HD23 1 
ATOM   2852 N  N    . GLN A 1 212 ? -52.026 22.672 13.522  1.00 7.82   ?  212  GLN A N    1 
ATOM   2853 C  CA   . GLN A 1 212 ? -52.710 23.028 14.771  1.00 7.46   ?  212  GLN A CA   1 
ATOM   2854 C  C    . GLN A 1 212 ? -52.800 21.837 15.705  1.00 7.32   ?  212  GLN A C    1 
ATOM   2855 O  O    . GLN A 1 212 ? -52.746 22.026 16.922  1.00 7.43   ?  212  GLN A O    1 
ATOM   2856 C  CB   . GLN A 1 212 ? -54.106 23.529 14.450  1.00 7.38   ?  212  GLN A CB   1 
ATOM   2857 C  CG   . GLN A 1 212 ? -54.072 24.934 13.896  1.00 8.04   ?  212  GLN A CG   1 
ATOM   2858 C  CD   . GLN A 1 212 ? -55.406 25.494 13.500  1.00 9.70   ?  212  GLN A CD   1 
ATOM   2859 O  OE1  . GLN A 1 212 ? -56.456 24.888 13.768  1.00 17.19  ?  212  GLN A OE1  1 
ATOM   2860 N  NE2  . GLN A 1 212 ? -55.410 26.686 12.999  1.00 8.99   ?  212  GLN A NE2  1 
ATOM   2861 H  H    . GLN A 1 212 ? -52.479 22.713 12.729  1.00 7.57   ?  212  GLN A H    1 
ATOM   2862 H  HA   . GLN A 1 212 ? -52.204 23.747 15.215  1.00 7.41   ?  212  GLN A HA   1 
ATOM   2863 H  HB2  . GLN A 1 212 ? -54.520 22.928 13.796  1.00 7.54   ?  212  GLN A HB2  1 
ATOM   2864 H  HB3  . GLN A 1 212 ? -54.648 23.513 15.267  1.00 7.53   ?  212  GLN A HB3  1 
ATOM   2865 H  HG2  . GLN A 1 212 ? -53.674 25.525 14.570  1.00 7.88   ?  212  GLN A HG2  1 
ATOM   2866 H  HG3  . GLN A 1 212 ? -53.483 24.948 13.112  1.00 7.94   ?  212  GLN A HG3  1 
ATOM   2867 H  HE21 . GLN A 1 212 ? -54.710 27.213 13.110  1.00 9.16   ?  212  GLN A HE21 1 
ATOM   2868 H  HE22 . GLN A 1 212 ? -56.109 26.970 12.539  1.00 9.06   ?  212  GLN A HE22 1 
ATOM   2869 N  N    . GLU A 1 213 ? -52.969 20.629 15.179  1.00 7.15   ?  213  GLU A N    1 
ATOM   2870 C  CA   . GLU A 1 213 ? -52.959 19.436 16.012  1.00 7.12   ?  213  GLU A CA   1 
ATOM   2871 C  C    . GLU A 1 213 ? -51.584 19.251 16.656  1.00 6.79   ?  213  GLU A C    1 
ATOM   2872 O  O    . GLU A 1 213 ? -51.489 18.965 17.859  1.00 8.03   ?  213  GLU A O    1 
ATOM   2873 C  CB   . GLU A 1 213 ? -53.301 18.185 15.206  1.00 7.95   ?  213  GLU A CB   1 
ATOM   2874 C  CG   . GLU A 1 213 ? -54.719 18.182 14.703  1.00 10.79  ?  213  GLU A CG   1 
ATOM   2875 C  CD   . GLU A 1 213 ? -55.079 17.027 13.802  1.00 16.65  ?  213  GLU A CD   1 
ATOM   2876 O  OE1  . GLU A 1 213 ? -54.211 16.225 13.475  1.00 22.94  ?  213  GLU A OE1  1 
ATOM   2877 O  OE2  . GLU A 1 213 ? -56.224 16.989 13.370  1.00 26.89  -1 213  GLU A OE2  1 
ATOM   2878 H  H    . GLU A 1 213 ? -53.098 20.540 14.279  1.00 7.20   ?  213  GLU A H    1 
ATOM   2879 H  HA   . GLU A 1 213 ? -53.630 19.549 16.725  1.00 7.07   ?  213  GLU A HA   1 
ATOM   2880 H  HB2  . GLU A 1 213 ? -52.690 18.124 14.443  1.00 8.04   ?  213  GLU A HB2  1 
ATOM   2881 H  HB3  . GLU A 1 213 ? -53.161 17.397 15.771  1.00 8.03   ?  213  GLU A HB3  1 
ATOM   2882 H  HG2  . GLU A 1 213 ? -55.326 18.170 15.474  1.00 10.57  ?  213  GLU A HG2  1 
ATOM   2883 H  HG3  . GLU A 1 213 ? -54.883 19.015 14.215  1.00 10.49  ?  213  GLU A HG3  1 
ATOM   2884 N  N    . TYR A 1 214 ? -50.510 19.398 15.892  1.00 6.82   ?  214  TYR A N    1 
ATOM   2885 C  CA   . TYR A 1 214 ? -49.160 19.367 16.456  1.00 6.80   ?  214  TYR A CA   1 
ATOM   2886 C  C    . TYR A 1 214 ? -48.970 20.443 17.513  1.00 6.62   ?  214  TYR A C    1 
ATOM   2887 O  O    . TYR A 1 214 ? -48.443 20.144 18.594  1.00 7.05   ?  214  TYR A O    1 
ATOM   2888 C  CB   . TYR A 1 214 ? -48.132 19.541 15.320  1.00 7.06   ?  214  TYR A CB   1 
ATOM   2889 C  CG   . TYR A 1 214 ? -46.711 19.680 15.788  1.00 6.64   ?  214  TYR A CG   1 
ATOM   2890 C  CD1  . TYR A 1 214 ? -46.022 18.621 16.320  1.00 6.76   ?  214  TYR A CD1  1 
ATOM   2891 C  CD2  . TYR A 1 214 ? -46.061 20.901 15.757  1.00 6.95   ?  214  TYR A CD2  1 
ATOM   2892 C  CE1  . TYR A 1 214 ? -44.733 18.762 16.807  1.00 6.92   ?  214  TYR A CE1  1 
ATOM   2893 C  CE2  . TYR A 1 214 ? -44.757 21.054 16.215  1.00 6.53   ?  214  TYR A CE2  1 
ATOM   2894 C  CZ   . TYR A 1 214 ? -44.100 19.982 16.772  1.00 6.54   ?  214  TYR A CZ   1 
ATOM   2895 O  OH   . TYR A 1 214 ? -42.864 20.062 17.310  1.00 6.53   ?  214  TYR A OH   1 
ATOM   2896 H  H    . TYR A 1 214 ? -50.611 19.516 14.991  1.00 6.81   ?  214  TYR A H    1 
ATOM   2897 H  HA   . TYR A 1 214 ? -49.016 18.483 16.880  1.00 6.83   ?  214  TYR A HA   1 
ATOM   2898 H  HB2  . TYR A 1 214 ? -48.194 18.765 14.724  1.00 6.91   ?  214  TYR A HB2  1 
ATOM   2899 H  HB3  . TYR A 1 214 ? -48.373 20.336 14.801  1.00 6.92   ?  214  TYR A HB3  1 
ATOM   2900 H  HD1  . TYR A 1 214 ? -46.446 17.781 16.381  1.00 6.72   ?  214  TYR A HD1  1 
ATOM   2901 H  HD2  . TYR A 1 214 ? -46.509 21.650 15.399  1.00 6.80   ?  214  TYR A HD2  1 
ATOM   2902 H  HE1  . TYR A 1 214 ? -44.293 18.019 17.186  1.00 6.82   ?  214  TYR A HE1  1 
ATOM   2903 H  HE2  . TYR A 1 214 ? -44.348 21.903 16.204  1.00 6.61   ?  214  TYR A HE2  1 
ATOM   2904 H  HH   . TYR A 1 214 ? -42.501 19.362 17.662  0.00 6.51   ?  214  TYR A HH   1 
ATOM   2905 N  N    . TYR A 1 215 ? -49.510 21.626 17.288  1.00 6.88   ?  215  TYR A N    1 
ATOM   2906 C  CA   . TYR A 1 215 ? -49.437 22.693 18.283  1.00 6.18   ?  215  TYR A CA   1 
ATOM   2907 C  C    . TYR A 1 215 ? -50.178 22.300 19.558  1.00 6.58   ?  215  TYR A C    1 
ATOM   2908 O  O    . TYR A 1 215 ? -49.716 22.623 20.674  1.00 6.48   ?  215  TYR A O    1 
ATOM   2909 C  CB   . TYR A 1 215 ? -49.993 23.986 17.710  1.00 6.76   ?  215  TYR A CB   1 
ATOM   2910 C  CG   . TYR A 1 215 ? -49.096 24.716 16.729  1.00 6.82   ?  215  TYR A CG   1 
ATOM   2911 C  CD1  . TYR A 1 215 ? -47.818 24.292 16.428  1.00 6.66   ?  215  TYR A CD1  1 
ATOM   2912 C  CD2  . TYR A 1 215 ? -49.519 25.923 16.180  1.00 6.72   ?  215  TYR A CD2  1 
ATOM   2913 C  CE1  . TYR A 1 215 ? -46.993 25.020 15.588  1.00 6.72   ?  215  TYR A CE1  1 
ATOM   2914 C  CE2  . TYR A 1 215 ? -48.696 26.664 15.347  1.00 6.77   ?  215  TYR A CE2  1 
ATOM   2915 C  CZ   . TYR A 1 215 ? -47.431 26.207 15.060  1.00 6.70   ?  215  TYR A CZ   1 
ATOM   2916 O  OH   . TYR A 1 215 ? -46.572 26.931 14.249  1.00 7.34   ?  215  TYR A OH   1 
ATOM   2917 H  H    . TYR A 1 215 ? -49.931 21.789 16.493  1.00 6.64   ?  215  TYR A H    1 
ATOM   2918 H  HA   . TYR A 1 215 ? -48.486 22.836 18.519  1.00 6.41   ?  215  TYR A HA   1 
ATOM   2919 H  HB2  . TYR A 1 215 ? -50.840 23.781 17.262  1.00 6.67   ?  215  TYR A HB2  1 
ATOM   2920 H  HB3  . TYR A 1 215 ? -50.195 24.589 18.455  1.00 6.62   ?  215  TYR A HB3  1 
ATOM   2921 H  HD1  . TYR A 1 215 ? -47.495 23.489 16.799  1.00 6.64   ?  215  TYR A HD1  1 
ATOM   2922 H  HD2  . TYR A 1 215 ? -50.376 26.253 16.394  1.00 6.71   ?  215  TYR A HD2  1 
ATOM   2923 H  HE1  . TYR A 1 215 ? -46.123 24.711 15.395  1.00 6.64   ?  215  TYR A HE1  1 
ATOM   2924 H  HE2  . TYR A 1 215 ? -48.998 27.480 14.983  1.00 6.73   ?  215  TYR A HE2  1 
ATOM   2925 H  HH   . TYR A 1 215 ? -45.788 26.623 14.065  0.00 7.26   ?  215  TYR A HH   1 
ATOM   2926 N  N    . GLY A 1 216 ? -51.348 21.674 19.455  1.00 6.70   ?  216  GLY A N    1 
ATOM   2927 C  CA   . GLY A 1 216 ? -52.044 21.222 20.639  1.00 7.03   ?  216  GLY A CA   1 
ATOM   2928 C  C    . GLY A 1 216 ? -51.242 20.207 21.417  1.00 7.26   ?  216  GLY A C    1 
ATOM   2929 O  O    . GLY A 1 216 ? -51.226 20.227 22.658  1.00 7.74   ?  216  GLY A O    1 
ATOM   2930 H  H    . GLY A 1 216 ? -51.721 21.529 18.633  1.00 6.70   ?  216  GLY A H    1 
ATOM   2931 H  HA2  . GLY A 1 216 ? -52.236 22.002 21.217  1.00 7.03   ?  216  GLY A HA2  1 
ATOM   2932 H  HA3  . GLY A 1 216 ? -52.908 20.819 20.369  1.00 7.02   ?  216  GLY A HA3  1 
ATOM   2933 N  N    . SER A 1 217 ? -50.618 19.260 20.715  1.00 7.49   ?  217  SER A N    1 
ATOM   2934 C  CA   . SER A 1 217 ? -49.818 18.227 21.354  1.00 7.25   ?  217  SER A CA   1 
ATOM   2935 C  C    . SER A 1 217 ? -48.603 18.839 22.036  1.00 7.37   ?  217  SER A C    1 
ATOM   2936 O  O    . SER A 1 217 ? -48.251 18.462 23.161  1.00 7.76   ?  217  SER A O    1 
ATOM   2937 C  CB   . SER A 1 217 ? -49.416 17.175 20.346  1.00 7.99   ?  217  SER A CB   1 
ATOM   2938 O  OG   . SER A 1 217 ? -50.563 16.486 19.870  1.00 10.19  ?  217  SER A OG   1 
ATOM   2939 H  H    . SER A 1 217 ? -50.698 19.253 19.804  1.00 7.37   ?  217  SER A H    1 
ATOM   2940 H  HA   . SER A 1 217 ? -50.379 17.793 22.052  1.00 7.32   ?  217  SER A HA   1 
ATOM   2941 H  HB2  . SER A 1 217 ? -48.951 17.603 19.592  1.00 8.13   ?  217  SER A HB2  1 
ATOM   2942 H  HB3  . SER A 1 217 ? -48.797 16.536 20.767  1.00 8.08   ?  217  SER A HB3  1 
ATOM   2943 H  HG   . SER A 1 217 ? -50.856 16.897 19.194  0.00 10.60  ?  217  SER A HG   1 
ATOM   2944 N  N    . VAL A 1 218 ? -47.946 19.788 21.383  1.00 6.92   ?  218  VAL A N    1 
ATOM   2945 C  CA   . VAL A 1 218 ? -46.811 20.460 21.998  1.00 6.83   ?  218  VAL A CA   1 
ATOM   2946 C  C    . VAL A 1 218 ? -47.242 21.165 23.295  1.00 7.00   ?  218  VAL A C    1 
ATOM   2947 O  O    . VAL A 1 218 ? -46.541 21.082 24.291  1.00 7.00   ?  218  VAL A O    1 
ATOM   2948 C  CB   . VAL A 1 218 ? -46.207 21.460 21.003  1.00 7.77   ?  218  VAL A CB   1 
ATOM   2949 C  CG1  . VAL A 1 218 ? -45.405 22.573 21.663  1.00 8.40   ?  218  VAL A CG1  1 
ATOM   2950 C  CG2  . VAL A 1 218 ? -45.390 20.715 19.967  1.00 8.36   ?  218  VAL A CG2  1 
ATOM   2951 H  H    . VAL A 1 218 ? -48.198 20.019 20.536  1.00 7.00   ?  218  VAL A H    1 
ATOM   2952 H  HA   . VAL A 1 218 ? -46.137 19.791 22.217  1.00 7.01   ?  218  VAL A HA   1 
ATOM   2953 H  HB   . VAL A 1 218 ? -46.963 21.888 20.529  1.00 7.74   ?  218  VAL A HB   1 
ATOM   2954 H  HG11 . VAL A 1 218 ? -44.808 22.192 22.330  1.00 8.22   ?  218  VAL A HG11 1 
ATOM   2955 H  HG12 . VAL A 1 218 ? -46.011 23.204 22.090  1.00 8.22   ?  218  VAL A HG12 1 
ATOM   2956 H  HG13 . VAL A 1 218 ? -44.880 23.038 20.987  1.00 8.17   ?  218  VAL A HG13 1 
ATOM   2957 H  HG21 . VAL A 1 218 ? -45.046 21.345 19.310  1.00 8.20   ?  218  VAL A HG21 1 
ATOM   2958 H  HG22 . VAL A 1 218 ? -45.951 20.057 19.522  1.00 8.22   ?  218  VAL A HG22 1 
ATOM   2959 H  HG23 . VAL A 1 218 ? -44.646 20.264 20.403  1.00 8.21   ?  218  VAL A HG23 1 
ATOM   2960 N  N    . TYR A 1 219 ? -48.393 21.820 23.282  1.00 7.30   ?  219  TYR A N    1 
ATOM   2961 C  CA   . TYR A 1 219 ? -48.887 22.483 24.481  1.00 7.01   ?  219  TYR A CA   1 
ATOM   2962 C  C    . TYR A 1 219 ? -49.028 21.476 25.615  1.00 7.55   ?  219  TYR A C    1 
ATOM   2963 O  O    . TYR A 1 219 ? -48.619 21.739 26.755  1.00 7.82   ?  219  TYR A O    1 
ATOM   2964 C  CB   . TYR A 1 219 ? -50.192 23.185 24.139  1.00 7.34   ?  219  TYR A CB   1 
ATOM   2965 C  CG   . TYR A 1 219 ? -50.805 23.947 25.271  1.00 6.87   ?  219  TYR A CG   1 
ATOM   2966 C  CD1  . TYR A 1 219 ? -51.518 23.317 26.291  1.00 6.83   ?  219  TYR A CD1  1 
ATOM   2967 C  CD2  . TYR A 1 219 ? -50.725 25.318 25.302  1.00 7.06   ?  219  TYR A CD2  1 
ATOM   2968 C  CE1  . TYR A 1 219 ? -52.076 24.031 27.334  1.00 7.22   ?  219  TYR A CE1  1 
ATOM   2969 C  CE2  . TYR A 1 219 ? -51.331 26.053 26.308  1.00 7.09   ?  219  TYR A CE2  1 
ATOM   2970 C  CZ   . TYR A 1 219 ? -51.993 25.411 27.333  1.00 7.42   ?  219  TYR A CZ   1 
ATOM   2971 O  OH   . TYR A 1 219 ? -52.599 26.098 28.327  1.00 8.91   ?  219  TYR A OH   1 
ATOM   2972 H  H    . TYR A 1 219 ? -48.885 21.865 22.513  1.00 7.14   ?  219  TYR A H    1 
ATOM   2973 H  HA   . TYR A 1 219 ? -48.225 23.168 24.755  1.00 7.14   ?  219  TYR A HA   1 
ATOM   2974 H  HB2  . TYR A 1 219 ? -50.025 23.800 23.397  1.00 7.11   ?  219  TYR A HB2  1 
ATOM   2975 H  HB3  . TYR A 1 219 ? -50.832 22.512 23.830  1.00 7.19   ?  219  TYR A HB3  1 
ATOM   2976 H  HD1  . TYR A 1 219 ? -51.575 22.376 26.299  1.00 6.84   ?  219  TYR A HD1  1 
ATOM   2977 H  HD2  . TYR A 1 219 ? -50.278 25.771 24.606  1.00 7.03   ?  219  TYR A HD2  1 
ATOM   2978 H  HE1  . TYR A 1 219 ? -52.556 23.585 28.012  1.00 7.13   ?  219  TYR A HE1  1 
ATOM   2979 H  HE2  . TYR A 1 219 ? -51.257 26.993 26.314  1.00 7.09   ?  219  TYR A HE2  1 
ATOM   2980 H  HH   . TYR A 1 219 ? -53.024 25.683 28.947  0.00 8.99   ?  219  TYR A HH   1 
ATOM   2981 N  N    . GLY A 1 220 ? -49.597 20.329 25.321  1.00 7.92   ?  220  GLY A N    1 
ATOM   2982 C  CA   . GLY A 1 220 ? -49.761 19.299 26.328  1.00 8.05   ?  220  GLY A CA   1 
ATOM   2983 C  C    . GLY A 1 220 ? -48.434 18.801 26.871  1.00 8.34   ?  220  GLY A C    1 
ATOM   2984 O  O    . GLY A 1 220 ? -48.331 18.535 28.086  1.00 9.53   ?  220  GLY A O    1 
ATOM   2985 H  H    . GLY A 1 220 ? -49.903 20.175 24.474  1.00 7.83   ?  220  GLY A H    1 
ATOM   2986 H  HA2  . GLY A 1 220 ? -50.304 19.661 27.072  1.00 8.08   ?  220  GLY A HA2  1 
ATOM   2987 H  HA3  . GLY A 1 220 ? -50.257 18.539 25.930  1.00 8.06   ?  220  GLY A HA3  1 
ATOM   2988 N  N    . ILE A 1 221 ? -47.407 18.643 26.030  1.00 8.04   ?  221  ILE A N    1 
ATOM   2989 C  CA   . ILE A 1 221 ? -46.104 18.197 26.485  1.00 8.12   ?  221  ILE A CA   1 
ATOM   2990 C  C    . ILE A 1 221 ? -45.506 19.235 27.427  1.00 7.85   ?  221  ILE A C    1 
ATOM   2991 O  O    . ILE A 1 221 ? -45.002 18.921 28.481  1.00 9.34   ?  221  ILE A O    1 
ATOM   2992 C  CB   . ILE A 1 221 ? -45.192 17.957 25.284  1.00 8.59   ?  221  ILE A CB   1 
ATOM   2993 C  CG1  . ILE A 1 221 ? -45.618 16.699 24.530  1.00 9.30   ?  221  ILE A CG1  1 
ATOM   2994 C  CG2  . ILE A 1 221 ? -43.731 17.845 25.726  1.00 9.29   ?  221  ILE A CG2  1 
ATOM   2995 C  CD1  . ILE A 1 221 ? -45.012 16.543 23.165  1.00 9.88   ?  221  ILE A CD1  1 
ATOM   2996 H  H    . ILE A 1 221 ? -47.528 18.815 25.140  1.00 8.14   ?  221  ILE A H    1 
ATOM   2997 H  HA   . ILE A 1 221 ? -46.212 17.358 26.968  1.00 8.10   ?  221  ILE A HA   1 
ATOM   2998 H  HB   . ILE A 1 221 ? -45.274 18.729 24.671  1.00 8.63   ?  221  ILE A HB   1 
ATOM   2999 H  HG12 . ILE A 1 221 ? -45.375 15.917 25.070  1.00 9.10   ?  221  ILE A HG12 1 
ATOM   3000 H  HG13 . ILE A 1 221 ? -46.594 16.706 24.438  1.00 9.11   ?  221  ILE A HG13 1 
ATOM   3001 H  HG21 . ILE A 1 221 ? -43.647 17.151 26.403  1.00 9.08   ?  221  ILE A HG21 1 
ATOM   3002 H  HG22 . ILE A 1 221 ? -43.431 18.694 26.094  1.00 9.11   ?  221  ILE A HG22 1 
ATOM   3003 H  HG23 . ILE A 1 221 ? -43.176 17.616 24.961  1.00 9.09   ?  221  ILE A HG23 1 
ATOM   3004 H  HD11 . ILE A 1 221 ? -44.052 16.408 23.246  1.00 9.76   ?  221  ILE A HD11 1 
ATOM   3005 H  HD12 . ILE A 1 221 ? -45.182 17.344 22.639  1.00 9.77   ?  221  ILE A HD12 1 
ATOM   3006 H  HD13 . ILE A 1 221 ? -45.408 15.774 22.719  1.00 9.72   ?  221  ILE A HD13 1 
ATOM   3007 N  N    . VAL A 1 222 ? -45.581 20.513 27.046  1.00 8.05   ?  222  VAL A N    1 
ATOM   3008 C  CA   . VAL A 1 222 ? -45.051 21.567 27.873  1.00 8.92   ?  222  VAL A CA   1 
ATOM   3009 C  C    . VAL A 1 222 ? -45.720 21.512 29.240  1.00 11.19  ?  222  VAL A C    1 
ATOM   3010 O  O    . VAL A 1 222 ? -45.079 21.605 30.292  1.00 11.83  ?  222  VAL A O    1 
ATOM   3011 C  CB   . VAL A 1 222 ? -45.189 22.945 27.239  1.00 8.81   ?  222  VAL A CB   1 
ATOM   3012 C  CG1  . VAL A 1 222 ? -44.854 24.064 28.225  1.00 9.13   ?  222  VAL A CG1  1 
ATOM   3013 C  CG2  . VAL A 1 222 ? -44.300 23.028 25.984  1.00 8.37   ?  222  VAL A CG2  1 
ATOM   3014 H  H    . VAL A 1 222 ? -45.970 20.727 26.247  1.00 8.14   ?  222  VAL A H    1 
ATOM   3015 H  HA   . VAL A 1 222 ? -44.101 21.393 28.000  1.00 8.98   ?  222  VAL A HA   1 
ATOM   3016 H  HB   . VAL A 1 222 ? -46.131 23.055 26.957  1.00 8.78   ?  222  VAL A HB   1 
ATOM   3017 H  HG11 . VAL A 1 222 ? -44.028 23.849 28.693  1.00 9.08   ?  222  VAL A HG11 1 
ATOM   3018 H  HG12 . VAL A 1 222 ? -45.578 24.161 28.869  1.00 9.11   ?  222  VAL A HG12 1 
ATOM   3019 H  HG13 . VAL A 1 222 ? -44.742 24.901 27.739  1.00 9.07   ?  222  VAL A HG13 1 
ATOM   3020 H  HG21 . VAL A 1 222 ? -44.357 23.920 25.602  1.00 8.46   ?  222  VAL A HG21 1 
ATOM   3021 H  HG22 . VAL A 1 222 ? -44.598 22.375 25.328  1.00 8.49   ?  222  VAL A HG22 1 
ATOM   3022 H  HG23 . VAL A 1 222 ? -43.376 22.841 26.228  1.00 8.48   ?  222  VAL A HG23 1 
ATOM   3023 N  N    . ASN A 1 223 ? -47.032 21.319 29.272  1.00 12.27  ?  223  ASN A N    1 
ATOM   3024 C  CA   . ASN A 1 223 ? -47.742 21.310 30.541  1.00 13.68  ?  223  ASN A CA   1 
ATOM   3025 C  C    . ASN A 1 223 ? -47.509 20.035 31.338  1.00 14.56  ?  223  ASN A C    1 
ATOM   3026 O  O    . ASN A 1 223 ? -47.667 20.049 32.559  1.00 17.16  ?  223  ASN A O    1 
ATOM   3027 C  CB   . ASN A 1 223 ? -49.204 21.645 30.290  1.00 15.64  ?  223  ASN A CB   1 
ATOM   3028 C  CG   . ASN A 1 223 ? -49.419 23.149 30.268  1.00 20.13  ?  223  ASN A CG   1 
ATOM   3029 O  OD1  . ASN A 1 223 ? -48.488 23.954 30.256  1.00 27.61  ?  223  ASN A OD1  1 
ATOM   3030 N  ND2  . ASN A 1 223 ? -50.664 23.567 30.194  1.00 28.61  ?  223  ASN A ND2  1 
ATOM   3031 H  H    . ASN A 1 223 ? -47.498 21.194 28.496  1.00 12.04  ?  223  ASN A H    1 
ATOM   3032 H  HA   . ASN A 1 223 ? -47.377 22.050 31.080  1.00 13.63  ?  223  ASN A HA   1 
ATOM   3033 H  HB2  . ASN A 1 223 ? -49.484 21.263 29.434  1.00 15.50  ?  223  ASN A HB2  1 
ATOM   3034 H  HB3  . ASN A 1 223 ? -49.752 21.250 30.998  1.00 15.42  ?  223  ASN A HB3  1 
ATOM   3035 H  HD21 . ASN A 1 223 ? -51.320 22.985 30.078  1.00 25.30  ?  223  ASN A HD21 1 
ATOM   3036 H  HD22 . ASN A 1 223 ? -50.846 24.430 30.261  1.00 25.25  ?  223  ASN A HD22 1 
ATOM   3037 N  N    . LYS A 1 224 ? -47.119 18.931 30.738  1.00 14.50  ?  224  LYS A N    1 
ATOM   3038 C  CA   . LYS A 1 224 ? -46.701 17.766 31.515  1.00 16.01  ?  224  LYS A CA   1 
ATOM   3039 C  C    . LYS A 1 224 ? -45.481 18.101 32.369  1.00 14.01  ?  224  LYS A C    1 
ATOM   3040 O  O    . LYS A 1 224 ? -45.380 17.645 33.504  1.00 17.93  ?  224  LYS A O    1 
ATOM   3041 C  CB   . LYS A 1 224 ? -46.289 16.652 30.565  1.00 18.48  ?  224  LYS A CB   1 
ATOM   3042 C  CG   . LYS A 1 224 ? -45.976 15.294 31.174  1.00 21.72  ?  224  LYS A CG   1 
ATOM   3043 C  CD   . LYS A 1 224 ? -45.960 14.208 30.063  1.00 25.77  ?  224  LYS A CD   1 
ATOM   3044 C  CE   . LYS A 1 224 ? -45.080 14.476 28.852  1.00 26.02  ?  224  LYS A CE   1 
ATOM   3045 N  NZ   . LYS A 1 224 ? -44.866 13.280 27.967  1.00 25.74  1  224  LYS A NZ   1 
ATOM   3046 H  H    . LYS A 1 224 ? -47.115 18.884 29.826  1.00 14.49  ?  224  LYS A H    1 
ATOM   3047 H  HA   . LYS A 1 224 ? -47.443 17.464 32.089  1.00 15.49  ?  224  LYS A HA   1 
ATOM   3048 H  HB2  . LYS A 1 224 ? -47.008 16.532 29.910  1.00 18.37  ?  224  LYS A HB2  1 
ATOM   3049 H  HB3  . LYS A 1 224 ? -45.496 16.952 30.075  1.00 18.31  ?  224  LYS A HB3  1 
ATOM   3050 H  HG2  . LYS A 1 224 ? -45.103 15.331 31.616  1.00 21.45  ?  224  LYS A HG2  1 
ATOM   3051 H  HG3  . LYS A 1 224 ? -46.657 15.072 31.845  1.00 21.61  ?  224  LYS A HG3  1 
ATOM   3052 H  HD2  . LYS A 1 224 ? -45.685 13.358 30.459  1.00 25.04  ?  224  LYS A HD2  1 
ATOM   3053 H  HD3  . LYS A 1 224 ? -46.880 14.089 29.744  1.00 25.02  ?  224  LYS A HD3  1 
ATOM   3054 H  HE2  . LYS A 1 224 ? -45.482 15.186 28.317  1.00 25.91  ?  224  LYS A HE2  1 
ATOM   3055 H  HE3  . LYS A 1 224 ? -44.213 14.793 29.156  1.00 25.84  ?  224  LYS A HE3  1 
ATOM   3056 H  HZ1  . LYS A 1 224 ? -45.665 12.968 27.673  1.00 25.60  ?  224  LYS A HZ1  1 
ATOM   3057 H  HZ2  . LYS A 1 224 ? -44.443 12.626 28.431  1.00 25.89  ?  224  LYS A HZ2  1 
ATOM   3058 H  HZ3  . LYS A 1 224 ? -44.358 13.514 27.253  1.00 25.74  ?  224  LYS A HZ3  1 
ATOM   3059 N  N    . TYR A 1 225 ? -44.567 18.928 31.855  1.00 10.91  ?  225  TYR A N    1 
ATOM   3060 C  CA   . TYR A 1 225 ? -43.295 19.156 32.539  1.00 10.43  ?  225  TYR A CA   1 
ATOM   3061 C  C    . TYR A 1 225 ? -43.263 20.472 33.318  1.00 10.03  ?  225  TYR A C    1 
ATOM   3062 O  O    . TYR A 1 225 ? -42.766 20.457 34.436  1.00 11.89  ?  225  TYR A O    1 
ATOM   3063 C  CB   . TYR A 1 225 ? -42.132 19.091 31.552  1.00 10.32  ?  225  TYR A CB   1 
ATOM   3064 C  CG   . TYR A 1 225 ? -41.975 17.739 30.921  1.00 9.47   ?  225  TYR A CG   1 
ATOM   3065 C  CD1  . TYR A 1 225 ? -41.675 16.607 31.664  1.00 9.82   ?  225  TYR A CD1  1 
ATOM   3066 C  CD2  . TYR A 1 225 ? -42.140 17.586 29.552  1.00 9.21   ?  225  TYR A CD2  1 
ATOM   3067 C  CE1  . TYR A 1 225 ? -41.577 15.364 31.061  1.00 9.22   ?  225  TYR A CE1  1 
ATOM   3068 C  CE2  . TYR A 1 225 ? -42.000 16.351 28.931  1.00 9.79   ?  225  TYR A CE2  1 
ATOM   3069 C  CZ   . TYR A 1 225 ? -41.718 15.238 29.696  1.00 9.84   ?  225  TYR A CZ   1 
ATOM   3070 O  OH   . TYR A 1 225 ? -41.598 13.995 29.129  1.00 11.82  ?  225  TYR A OH   1 
ATOM   3071 H  H    . TYR A 1 225 ? -44.728 19.353 31.062  1.00 11.25  ?  225  TYR A H    1 
ATOM   3072 H  HA   . TYR A 1 225 ? -43.169 18.424 33.194  1.00 10.37  ?  225  TYR A HA   1 
ATOM   3073 H  HB2  . TYR A 1 225 ? -42.277 19.760 30.851  1.00 10.18  ?  225  TYR A HB2  1 
ATOM   3074 H  HB3  . TYR A 1 225 ? -41.305 19.322 32.025  1.00 10.10  ?  225  TYR A HB3  1 
ATOM   3075 H  HD1  . TYR A 1 225 ? -41.581 16.677 32.599  1.00 9.56   ?  225  TYR A HD1  1 
ATOM   3076 H  HD2  . TYR A 1 225 ? -42.330 18.343 29.024  1.00 9.33   ?  225  TYR A HD2  1 
ATOM   3077 H  HE1  . TYR A 1 225 ? -41.369 14.605 31.582  1.00 9.32   ?  225  TYR A HE1  1 
ATOM   3078 H  HE2  . TYR A 1 225 ? -42.118 16.269 28.000  1.00 9.60   ?  225  TYR A HE2  1 
ATOM   3079 H  HH   . TYR A 1 225 ? -41.419 13.314 29.627  0.00 12.13  ?  225  TYR A HH   1 
ATOM   3080 N  N    . ASN A 1 226 ? -43.804 21.551 32.785  1.00 9.47   ?  226  ASN A N    1 
ATOM   3081 C  CA   . ASN A 1 226 ? -43.784 22.824 33.472  1.00 9.17   ?  226  ASN A CA   1 
ATOM   3082 C  C    . ASN A 1 226 ? -44.829 23.778 32.902  1.00 9.90   ?  226  ASN A C    1 
ATOM   3083 O  O    . ASN A 1 226 ? -44.582 24.432 31.889  1.00 10.18  ?  226  ASN A O    1 
ATOM   3084 C  CB   . ASN A 1 226 ? -42.406 23.448 33.427  1.00 9.38   ?  226  ASN A CB   1 
ATOM   3085 C  CG   . ASN A 1 226 ? -42.318 24.643 34.331  1.00 10.00  ?  226  ASN A CG   1 
ATOM   3086 O  OD1  . ASN A 1 226 ? -43.316 25.169 34.860  1.00 10.86  ?  226  ASN A OD1  1 
ATOM   3087 N  ND2  . ASN A 1 226 ? -41.084 25.004 34.576  1.00 12.89  ?  226  ASN A ND2  1 
ATOM   3088 H  H    . ASN A 1 226 ? -44.198 21.499 31.961  1.00 9.55   ?  226  ASN A H    1 
ATOM   3089 H  HA   . ASN A 1 226 ? -43.995 22.662 34.414  1.00 9.41   ?  226  ASN A HA   1 
ATOM   3090 H  HB2  . ASN A 1 226 ? -41.742 22.784 33.704  1.00 9.38   ?  226  ASN A HB2  1 
ATOM   3091 H  HB3  . ASN A 1 226 ? -42.203 23.719 32.509  1.00 9.42   ?  226  ASN A HB3  1 
ATOM   3092 H  HD21 . ASN A 1 226 ? -40.417 24.652 34.114  1.00 11.90  ?  226  ASN A HD21 1 
ATOM   3093 H  HD22 . ASN A 1 226 ? -40.916 25.604 35.204  1.00 11.93  ?  226  ASN A HD22 1 
ATOM   3094 N  N    . ALA A 1 227 ? -45.988 23.881 33.559  1.00 10.98  ?  227  ALA A N    1 
ATOM   3095 C  CA   . ALA A 1 227 ? -47.048 24.738 33.060  1.00 11.60  ?  227  ALA A CA   1 
ATOM   3096 C  C    . ALA A 1 227 ? -46.654 26.205 33.154  1.00 11.25  ?  227  ALA A C    1 
ATOM   3097 O  O    . ALA A 1 227 ? -47.297 27.012 32.481  1.00 11.99  ?  227  ALA A O    1 
ATOM   3098 C  CB   . ALA A 1 227 ? -48.301 24.487 33.828  1.00 13.02  ?  227  ALA A CB   1 
ATOM   3099 H  H    . ALA A 1 227 ? -46.121 23.408 34.330  1.00 10.66  ?  227  ALA A H    1 
ATOM   3100 H  HA   . ALA A 1 227 ? -47.205 24.519 32.115  1.00 11.54  ?  227  ALA A HA   1 
ATOM   3101 H  HB1  . ALA A 1 227 ? -49.012 25.054 33.484  1.00 12.75  ?  227  ALA A HB1  1 
ATOM   3102 H  HB2  . ALA A 1 227 ? -48.558 23.554 33.734  1.00 12.68  ?  227  ALA A HB2  1 
ATOM   3103 H  HB3  . ALA A 1 227 ? -48.153 24.688 34.767  1.00 12.85  ?  227  ALA A HB3  1 
ATOM   3104 N  N    . GLY A 1 228 ? -45.564 26.533 33.861  1.00 12.05  ?  228  GLY A N    1 
ATOM   3105 C  CA   . GLY A 1 228 ? -45.098 27.908 33.870  1.00 11.81  ?  228  GLY A CA   1 
ATOM   3106 C  C    . GLY A 1 228 ? -44.391 28.349 32.587  1.00 10.69  ?  228  GLY A C    1 
ATOM   3107 O  O    . GLY A 1 228 ? -44.163 29.525 32.385  1.00 13.22  ?  228  GLY A O    1 
ATOM   3108 H  H    . GLY A 1 228 ? -45.123 25.907 34.360  1.00 11.79  ?  228  GLY A H    1 
ATOM   3109 H  HA2  . GLY A 1 228 ? -45.873 28.504 34.030  1.00 11.61  ?  228  GLY A HA2  1 
ATOM   3110 H  HA3  . GLY A 1 228 ? -44.477 28.023 34.632  1.00 11.59  ?  228  GLY A HA3  1 
ATOM   3111 N  N    . THR A 1 229 ? -43.982 27.394 31.760  1.00 9.02   ?  229  THR A N    1 
ATOM   3112 C  CA   . THR A 1 229 ? -43.198 27.695 30.585  1.00 8.74   ?  229  THR A CA   1 
ATOM   3113 C  C    . THR A 1 229 ? -44.123 28.164 29.460  1.00 7.85   ?  229  THR A C    1 
ATOM   3114 O  O    . THR A 1 229 ? -45.142 27.523 29.210  1.00 8.64   ?  229  THR A O    1 
ATOM   3115 C  CB   . THR A 1 229 ? -42.415 26.467 30.121  1.00 8.78   ?  229  THR A CB   1 
ATOM   3116 O  OG1  . THR A 1 229 ? -41.657 25.951 31.207  1.00 10.81  ?  229  THR A OG1  1 
ATOM   3117 C  CG2  . THR A 1 229 ? -41.520 26.801 28.959  1.00 9.09   ?  229  THR A CG2  1 
ATOM   3118 H  H    . THR A 1 229 ? -44.192 26.523 31.936  1.00 9.22   ?  229  THR A H    1 
ATOM   3119 H  HA   . THR A 1 229 ? -42.563 28.416 30.804  1.00 8.59   ?  229  THR A HA   1 
ATOM   3120 H  HB   . THR A 1 229 ? -43.063 25.781 29.833  1.00 8.95   ?  229  THR A HB   1 
ATOM   3121 H  HG1  . THR A 1 229 ? -41.125 26.546 31.494  0.00 11.44  ?  229  THR A HG1  1 
ATOM   3122 H  HG21 . THR A 1 229 ? -40.936 26.044 28.772  1.00 9.00   ?  229  THR A HG21 1 
ATOM   3123 H  HG22 . THR A 1 229 ? -40.979 27.581 29.179  1.00 9.00   ?  229  THR A HG22 1 
ATOM   3124 H  HG23 . THR A 1 229 ? -42.061 26.993 28.173  1.00 9.08   ?  229  THR A HG23 1 
ATOM   3125 N  N    . SER A 1 230 ? -43.731 29.239 28.769  1.00 7.49   ?  230  SER A N    1 
ATOM   3126 C  CA   . SER A 1 230 ? -44.545 29.678 27.654  1.00 7.22   ?  230  SER A CA   1 
ATOM   3127 C  C    . SER A 1 230 ? -44.281 28.808 26.426  1.00 7.35   ?  230  SER A C    1 
ATOM   3128 O  O    . SER A 1 230 ? -43.166 28.320 26.225  1.00 7.61   ?  230  SER A O    1 
ATOM   3129 C  CB   . SER A 1 230 ? -44.311 31.107 27.345  1.00 7.63   ?  230  SER A CB   1 
ATOM   3130 O  OG   . SER A 1 230 ? -44.827 31.948 28.373  1.00 8.58   ?  230  SER A OG   1 
ATOM   3131 H  H    . SER A 1 230 ? -42.966 29.691 28.986  1.00 7.48   ?  230  SER A H    1 
ATOM   3132 H  HA   . SER A 1 230 ? -45.499 29.570 27.913  1.00 7.32   ?  230  SER A HA   1 
ATOM   3133 H  HB2  . SER A 1 230 ? -43.345 31.265 27.247  1.00 7.65   ?  230  SER A HB2  1 
ATOM   3134 H  HB3  . SER A 1 230 ? -44.745 31.331 26.491  1.00 7.68   ?  230  SER A HB3  1 
ATOM   3135 H  HG   . SER A 1 230 ? -44.216 32.071 28.949  0.00 8.67   ?  230  SER A HG   1 
ATOM   3136 N  N    . VAL A 1 231 ? -45.354 28.644 25.652  1.00 7.03   ?  231  VAL A N    1 
ATOM   3137 C  CA   . VAL A 1 231 ? -45.346 27.922 24.393  1.00 6.97   ?  231  VAL A CA   1 
ATOM   3138 C  C    . VAL A 1 231 ? -45.291 28.955 23.269  1.00 6.79   ?  231  VAL A C    1 
ATOM   3139 O  O    . VAL A 1 231 ? -46.093 29.866 23.253  1.00 7.73   ?  231  VAL A O    1 
ATOM   3140 C  CB   . VAL A 1 231 ? -46.599 27.047 24.281  1.00 8.01   ?  231  VAL A CB   1 
ATOM   3141 C  CG1  . VAL A 1 231 ? -46.584 26.330 22.940  1.00 9.43   ?  231  VAL A CG1  1 
ATOM   3142 C  CG2  . VAL A 1 231 ? -46.707 26.062 25.416  1.00 9.08   ?  231  VAL A CG2  1 
ATOM   3143 H  H    . VAL A 1 231 ? -46.145 29.010 25.928  1.00 7.04   ?  231  VAL A H    1 
ATOM   3144 H  HA   . VAL A 1 231 ? -44.555 27.357 24.352  1.00 7.06   ?  231  VAL A HA   1 
ATOM   3145 H  HB   . VAL A 1 231 ? -47.390 27.641 24.308  1.00 8.05   ?  231  VAL A HB   1 
ATOM   3146 H  HG11 . VAL A 1 231 ? -45.714 25.916 22.802  1.00 9.10   ?  231  VAL A HG11 1 
ATOM   3147 H  HG12 . VAL A 1 231 ? -46.756 26.969 22.225  1.00 9.11   ?  231  VAL A HG12 1 
ATOM   3148 H  HG13 . VAL A 1 231 ? -47.274 25.644 22.931  1.00 9.04   ?  231  VAL A HG13 1 
ATOM   3149 H  HG21 . VAL A 1 231 ? -47.471 25.477 25.267  1.00 8.78   ?  231  VAL A HG21 1 
ATOM   3150 H  HG22 . VAL A 1 231 ? -46.825 26.541 26.254  1.00 8.86   ?  231  VAL A HG22 1 
ATOM   3151 H  HG23 . VAL A 1 231 ? -45.895 25.528 25.460  1.00 8.81   ?  231  VAL A HG23 1 
ATOM   3152 N  N    . VAL A 1 232 ? -44.317 28.796 22.371  1.00 6.52   ?  232  VAL A N    1 
ATOM   3153 C  CA   . VAL A 1 232 ? -44.164 29.700 21.233  1.00 6.74   ?  232  VAL A CA   1 
ATOM   3154 C  C    . VAL A 1 232 ? -44.539 28.986 19.942  1.00 6.41   ?  232  VAL A C    1 
ATOM   3155 O  O    . VAL A 1 232 ? -44.104 27.885 19.690  1.00 6.67   ?  232  VAL A O    1 
ATOM   3156 C  CB   . VAL A 1 232 ? -42.733 30.235 21.178  1.00 7.12   ?  232  VAL A CB   1 
ATOM   3157 C  CG1  . VAL A 1 232 ? -42.552 31.196 20.005  1.00 7.14   ?  232  VAL A CG1  1 
ATOM   3158 C  CG2  . VAL A 1 232 ? -42.310 30.906 22.471  1.00 7.41   ?  232  VAL A CG2  1 
ATOM   3159 H  H    . VAL A 1 232 ? -43.727 28.105 22.464  1.00 6.59   ?  232  VAL A H    1 
ATOM   3160 H  HA   . VAL A 1 232 ? -44.764 30.451 21.358  1.00 6.70   ?  232  VAL A HA   1 
ATOM   3161 H  HB   . VAL A 1 232 ? -42.135 29.464 21.030  1.00 7.09   ?  232  VAL A HB   1 
ATOM   3162 H  HG11 . VAL A 1 232 ? -43.259 31.866 20.021  1.00 7.16   ?  232  VAL A HG11 1 
ATOM   3163 H  HG12 . VAL A 1 232 ? -42.593 30.702 19.167  1.00 7.16   ?  232  VAL A HG12 1 
ATOM   3164 H  HG13 . VAL A 1 232 ? -41.687 31.637 20.077  1.00 7.13   ?  232  VAL A HG13 1 
ATOM   3165 H  HG21 . VAL A 1 232 ? -41.396 31.228 22.385  1.00 7.34   ?  232  VAL A HG21 1 
ATOM   3166 H  HG22 . VAL A 1 232 ? -42.360 30.266 23.201  1.00 7.36   ?  232  VAL A HG22 1 
ATOM   3167 H  HG23 . VAL A 1 232 ? -42.901 31.655 22.657  1.00 7.36   ?  232  VAL A HG23 1 
ATOM   3168 N  N    . TYR A 1 233 ? -45.435 29.643 19.190  1.00 6.25   ?  233  TYR A N    1 
ATOM   3169 C  CA   . TYR A 1 233 ? -45.899 29.122 17.914  1.00 6.53   ?  233  TYR A CA   1 
ATOM   3170 C  C    . TYR A 1 233 ? -45.516 30.085 16.799  1.00 6.11   ?  233  TYR A C    1 
ATOM   3171 O  O    . TYR A 1 233 ? -45.893 31.246 16.811  1.00 6.37   ?  233  TYR A O    1 
ATOM   3172 C  CB   . TYR A 1 233 ? -47.401 28.977 17.877  1.00 6.35   ?  233  TYR A CB   1 
ATOM   3173 C  CG   . TYR A 1 233 ? -47.986 27.980 18.833  1.00 6.50   ?  233  TYR A CG   1 
ATOM   3174 C  CD1  . TYR A 1 233 ? -47.446 26.724 19.011  1.00 6.54   ?  233  TYR A CD1  1 
ATOM   3175 C  CD2  . TYR A 1 233 ? -49.123 28.293 19.557  1.00 6.28   ?  233  TYR A CD2  1 
ATOM   3176 C  CE1  . TYR A 1 233 ? -48.032 25.805 19.867  1.00 6.45   ?  233  TYR A CE1  1 
ATOM   3177 C  CE2  . TYR A 1 233 ? -49.739 27.373 20.389  1.00 6.87   ?  233  TYR A CE2  1 
ATOM   3178 C  CZ   . TYR A 1 233 ? -49.201 26.127 20.540  1.00 6.56   ?  233  TYR A CZ   1 
ATOM   3179 O  OH   . TYR A 1 233 ? -49.809 25.210 21.378  1.00 7.28   ?  233  TYR A OH   1 
ATOM   3180 H  H    . TYR A 1 233 ? -45.767 30.442 19.482  1.00 6.28   ?  233  TYR A H    1 
ATOM   3181 H  HA   . TYR A 1 233 ? -45.479 28.242 17.741  1.00 6.40   ?  233  TYR A HA   1 
ATOM   3182 H  HB2  . TYR A 1 233 ? -47.796 29.855 18.062  1.00 6.42   ?  233  TYR A HB2  1 
ATOM   3183 H  HB3  . TYR A 1 233 ? -47.661 28.725 16.966  1.00 6.42   ?  233  TYR A HB3  1 
ATOM   3184 H  HD1  . TYR A 1 233 ? -46.672 26.479 18.531  1.00 6.50   ?  233  TYR A HD1  1 
ATOM   3185 H  HD2  . TYR A 1 233 ? -49.529 29.135 19.430  1.00 6.41   ?  233  TYR A HD2  1 
ATOM   3186 H  HE1  . TYR A 1 233 ? -47.661 24.943 19.958  1.00 6.48   ?  233  TYR A HE1  1 
ATOM   3187 H  HE2  . TYR A 1 233 ? -50.525 27.608 20.856  1.00 6.65   ?  233  TYR A HE2  1 
ATOM   3188 H  HH   . TYR A 1 233 ? -49.460 24.433 21.489  0.00 7.27   ?  233  TYR A HH   1 
ATOM   3189 N  N    . GLY A 1 234 ? -44.805 29.571 15.789  1.00 7.03   ?  234  GLY A N    1 
ATOM   3190 C  CA   . GLY A 1 234 ? -44.649 30.303 14.538  1.00 6.77   ?  234  GLY A CA   1 
ATOM   3191 C  C    . GLY A 1 234 ? -45.996 30.452 13.829  1.00 6.77   ?  234  GLY A C    1 
ATOM   3192 O  O    . GLY A 1 234 ? -46.886 29.608 13.891  1.00 6.86   ?  234  GLY A O    1 
ATOM   3193 H  H    . GLY A 1 234 ? -44.408 28.753 15.878  1.00 6.73   ?  234  GLY A H    1 
ATOM   3194 H  HA2  . GLY A 1 234 ? -44.271 31.195 14.729  1.00 6.81   ?  234  GLY A HA2  1 
ATOM   3195 H  HA3  . GLY A 1 234 ? -44.018 29.814 13.952  1.00 6.81   ?  234  GLY A HA3  1 
ATOM   3196 N  N    . ASP A 1 235 ? -46.117 31.536 13.070  1.00 6.46   ?  235  ASP A N    1 
ATOM   3197 C  CA   . ASP A 1 235 ? -47.326 31.814 12.312  1.00 6.65   ?  235  ASP A CA   1 
ATOM   3198 C  C    . ASP A 1 235 ? -47.370 31.078 10.971  1.00 6.78   ?  235  ASP A C    1 
ATOM   3199 O  O    . ASP A 1 235 ? -48.358 31.183 10.287  1.00 7.15   ?  235  ASP A O    1 
ATOM   3200 C  CB   . ASP A 1 235 ? -47.489 33.323 12.122  1.00 7.18   ?  235  ASP A CB   1 
ATOM   3201 C  CG   . ASP A 1 235 ? -46.379 34.014 11.379  1.00 7.41   ?  235  ASP A CG   1 
ATOM   3202 O  OD1  . ASP A 1 235 ? -45.606 33.337 10.668  1.00 8.21   ?  235  ASP A OD1  1 
ATOM   3203 O  OD2  . ASP A 1 235 ? -46.304 35.259 11.539  1.00 9.12   -1 235  ASP A OD2  1 
ATOM   3204 H  H    . ASP A 1 235 ? -45.420 32.125 13.019  1.00 6.54   ?  235  ASP A H    1 
ATOM   3205 H  HA   . ASP A 1 235 ? -48.092 31.505 12.850  1.00 6.68   ?  235  ASP A HA   1 
ATOM   3206 H  HB2  . ASP A 1 235 ? -48.324 33.488 11.637  1.00 7.10   ?  235  ASP A HB2  1 
ATOM   3207 H  HB3  . ASP A 1 235 ? -47.566 33.740 13.004  1.00 7.10   ?  235  ASP A HB3  1 
ATOM   3208 N  N    . GLY A 1 236 ? -46.334 30.333 10.649  1.00 6.92   ?  236  GLY A N    1 
ATOM   3209 C  CA   . GLY A 1 236 ? -46.348 29.537 9.430   1.00 7.35   ?  236  GLY A CA   1 
ATOM   3210 C  C    . GLY A 1 236 ? -46.381 30.345 8.137   1.00 7.53   ?  236  GLY A C    1 
ATOM   3211 O  O    . GLY A 1 236 ? -46.727 29.795 7.090   1.00 7.95   ?  236  GLY A O    1 
ATOM   3212 H  H    . GLY A 1 236 ? -45.590 30.318 11.179  1.00 6.89   ?  236  GLY A H    1 
ATOM   3213 H  HA2  . GLY A 1 236 ? -45.544 28.966 9.427   1.00 7.31   ?  236  GLY A HA2  1 
ATOM   3214 H  HA3  . GLY A 1 236 ? -47.136 28.938 9.454   1.00 7.28   ?  236  GLY A HA3  1 
ATOM   3215 N  N    . PHE A 1 237 ? -45.957 31.605 8.207   1.00 7.80   ?  237  PHE A N    1 
ATOM   3216 C  CA   . PHE A 1 237 ? -45.934 32.554 7.103   1.00 8.12   ?  237  PHE A CA   1 
ATOM   3217 C  C    . PHE A 1 237 ? -47.331 33.106 6.807   1.00 8.43   ?  237  PHE A C    1 
ATOM   3218 O  O    . PHE A 1 237 ? -47.510 33.853 5.859   1.00 11.05  ?  237  PHE A O    1 
ATOM   3219 C  CB   . PHE A 1 237 ? -45.250 32.035 5.839   1.00 8.13   ?  237  PHE A CB   1 
ATOM   3220 C  CG   . PHE A 1 237 ? -43.821 31.651 6.058   1.00 8.14   ?  237  PHE A CG   1 
ATOM   3221 C  CD1  . PHE A 1 237 ? -42.844 32.601 6.172   1.00 11.54  ?  237  PHE A CD1  1 
ATOM   3222 C  CD2  . PHE A 1 237 ? -43.433 30.331 6.140   1.00 11.55  ?  237  PHE A CD2  1 
ATOM   3223 C  CE1  . PHE A 1 237 ? -41.510 32.254 6.343   1.00 12.33  ?  237  PHE A CE1  1 
ATOM   3224 C  CE2  . PHE A 1 237 ? -42.110 29.980 6.323   1.00 12.74  ?  237  PHE A CE2  1 
ATOM   3225 C  CZ   . PHE A 1 237 ? -41.141 30.940 6.398   1.00 11.68  ?  237  PHE A CZ   1 
ATOM   3226 H  H    . PHE A 1 237 ? -45.639 31.897 9.012   1.00 7.72   ?  237  PHE A H    1 
ATOM   3227 H  HA   . PHE A 1 237 ? -45.395 33.325 7.413   1.00 8.11   ?  237  PHE A HA   1 
ATOM   3228 H  HB2  . PHE A 1 237 ? -45.745 31.260 5.504   1.00 8.03   ?  237  PHE A HB2  1 
ATOM   3229 H  HB3  . PHE A 1 237 ? -45.288 32.735 5.154   1.00 8.04   ?  237  PHE A HB3  1 
ATOM   3230 H  HD1  . PHE A 1 237 ? -43.080 33.513 6.106   1.00 10.65  ?  237  PHE A HD1  1 
ATOM   3231 H  HD2  . PHE A 1 237 ? -44.086 29.655 6.063   1.00 10.54  ?  237  PHE A HD2  1 
ATOM   3232 H  HE1  . PHE A 1 237 ? -40.855 32.930 6.412   1.00 11.89  ?  237  PHE A HE1  1 
ATOM   3233 H  HE2  . PHE A 1 237 ? -41.870 29.068 6.368   1.00 12.11  ?  237  PHE A HE2  1 
ATOM   3234 H  HZ   . PHE A 1 237 ? -40.240 30.702 6.545   1.00 11.91  ?  237  PHE A HZ   1 
ATOM   3235 N  N    . LEU A 1 238 ? -48.340 32.743 7.579   1.00 7.68   ?  238  LEU A N    1 
ATOM   3236 C  CA   . LEU A 1 238 ? -49.627 33.411 7.477   1.00 7.99   ?  238  LEU A CA   1 
ATOM   3237 C  C    . LEU A 1 238 ? -49.559 34.704 8.268   1.00 7.80   ?  238  LEU A C    1 
ATOM   3238 O  O    . LEU A 1 238 ? -48.741 34.842 9.183   1.00 8.53   ?  238  LEU A O    1 
ATOM   3239 C  CB   . LEU A 1 238 ? -50.698 32.515 8.078   1.00 9.18   ?  238  LEU A CB   1 
ATOM   3240 C  CG   . LEU A 1 238 ? -50.844 31.153 7.428   1.00 11.90  ?  238  LEU A CG   1 
ATOM   3241 C  CD1  . LEU A 1 238 ? -51.983 30.411 8.086   1.00 13.78  ?  238  LEU A CD1  1 
ATOM   3242 C  CD2  . LEU A 1 238 ? -51.018 31.275 5.919   1.00 13.39  ?  238  LEU A CD2  1 
ATOM   3243 H  H    . LEU A 1 238 ? -48.235 32.075 8.192   1.00 7.88   ?  238  LEU A H    1 
ATOM   3244 H  HA   . LEU A 1 238 ? -49.826 33.605 6.534   1.00 8.04   ?  238  LEU A HA   1 
ATOM   3245 H  HB2  . LEU A 1 238 ? -50.495 32.386 9.026   1.00 9.19   ?  238  LEU A HB2  1 
ATOM   3246 H  HB3  . LEU A 1 238 ? -51.556 32.980 8.020   1.00 9.24   ?  238  LEU A HB3  1 
ATOM   3247 H  HG   . LEU A 1 238 ? -50.013 30.644 7.597   1.00 11.65  ?  238  LEU A HG   1 
ATOM   3248 H  HD11 . LEU A 1 238 ? -51.957 29.475 7.821   1.00 13.31  ?  238  LEU A HD11 1 
ATOM   3249 H  HD12 . LEU A 1 238 ? -52.829 30.803 7.808   1.00 13.29  ?  238  LEU A HD12 1 
ATOM   3250 H  HD13 . LEU A 1 238 ? -51.898 30.476 9.053   1.00 13.45  ?  238  LEU A HD13 1 
ATOM   3251 H  HD21 . LEU A 1 238 ? -50.179 31.553 5.514   1.00 13.03  ?  238  LEU A HD21 1 
ATOM   3252 H  HD22 . LEU A 1 238 ? -51.708 31.934 5.724   1.00 13.07  ?  238  LEU A HD22 1 
ATOM   3253 H  HD23 . LEU A 1 238 ? -51.283 30.412 5.553   1.00 12.95  ?  238  LEU A HD23 1 
ATOM   3254 N  N    . PRO A 1 239 ? -50.429 35.676 7.990   1.00 8.65   ?  239  PRO A N    1 
ATOM   3255 C  CA   . PRO A 1 239 ? -50.484 36.872 8.837   1.00 8.35   ?  239  PRO A CA   1 
ATOM   3256 C  C    . PRO A 1 239 ? -50.624 36.459 10.292  1.00 7.41   ?  239  PRO A C    1 
ATOM   3257 O  O    . PRO A 1 239 ? -51.455 35.623 10.613  1.00 7.97   ?  239  PRO A O    1 
ATOM   3258 C  CB   . PRO A 1 239 ? -51.738 37.580 8.323   1.00 9.73   ?  239  PRO A CB   1 
ATOM   3259 C  CG   . PRO A 1 239 ? -51.837 37.141 6.903   1.00 11.02  ?  239  PRO A CG   1 
ATOM   3260 C  CD   . PRO A 1 239 ? -51.434 35.684 6.905   1.00 9.70   ?  239  PRO A CD   1 
ATOM   3261 H  HA   . PRO A 1 239 ? -49.682 37.434 8.695   1.00 8.30   ?  239  PRO A HA   1 
ATOM   3262 H  HB2  . PRO A 1 239 ? -52.533 37.307 8.830   1.00 9.58   ?  239  PRO A HB2  1 
ATOM   3263 H  HB3  . PRO A 1 239 ? -51.642 38.555 8.382   1.00 9.57   ?  239  PRO A HB3  1 
ATOM   3264 H  HG2  . PRO A 1 239 ? -52.752 37.246 6.571   1.00 10.42  ?  239  PRO A HG2  1 
ATOM   3265 H  HG3  . PRO A 1 239 ? -51.235 37.665 6.335   1.00 10.45  ?  239  PRO A HG3  1 
ATOM   3266 H  HD2  . PRO A 1 239 ? -52.188 35.102 7.112   1.00 9.55   ?  239  PRO A HD2  1 
ATOM   3267 H  HD3  . PRO A 1 239 ? -51.042 35.420 6.051   1.00 9.47   ?  239  PRO A HD3  1 
ATOM   3268 N  N    . VAL A 1 240 ? -49.886 37.098 11.175  1.00 7.57   ?  240  VAL A N    1 
ATOM   3269 C  CA   . VAL A 1 240 ? -49.895 36.617 12.545  1.00 7.19   ?  240  VAL A CA   1 
ATOM   3270 C  C    . VAL A 1 240 ? -51.303 36.697 13.157  1.00 7.47   ?  240  VAL A C    1 
ATOM   3271 O  O    . VAL A 1 240 ? -51.684 35.840 13.958  1.00 7.91   ?  240  VAL A O    1 
ATOM   3272 C  CB   . VAL A 1 240 ? -48.839 37.349 13.386  1.00 7.56   ?  240  VAL A CB   1 
ATOM   3273 C  CG1  . VAL A 1 240 ? -49.099 38.855 13.573  1.00 7.98   ?  240  VAL A CG1  1 
ATOM   3274 C  CG2  . VAL A 1 240 ? -48.679 36.658 14.714  1.00 8.49   ?  240  VAL A CG2  1 
ATOM   3275 H  H    . VAL A 1 240 ? -49.377 37.820 10.941  1.00 7.43   ?  240  VAL A H    1 
ATOM   3276 H  HA   . VAL A 1 240 ? -49.644 35.676 12.521  1.00 7.30   ?  240  VAL A HA   1 
ATOM   3277 H  HB   . VAL A 1 240 ? -47.979 37.259 12.905  1.00 7.60   ?  240  VAL A HB   1 
ATOM   3278 H  HG11 . VAL A 1 240 ? -49.931 38.984 14.059  1.00 7.86   ?  240  VAL A HG11 1 
ATOM   3279 H  HG12 . VAL A 1 240 ? -49.161 39.285 12.703  1.00 7.91   ?  240  VAL A HG12 1 
ATOM   3280 H  HG13 . VAL A 1 240 ? -48.366 39.250 14.077  1.00 7.88   ?  240  VAL A HG13 1 
ATOM   3281 H  HG21 . VAL A 1 240 ? -47.933 37.054 15.197  1.00 8.25   ?  240  VAL A HG21 1 
ATOM   3282 H  HG22 . VAL A 1 240 ? -48.505 35.712 14.570  1.00 8.22   ?  240  VAL A HG22 1 
ATOM   3283 H  HG23 . VAL A 1 240 ? -49.493 36.762 15.236  1.00 8.28   ?  240  VAL A HG23 1 
ATOM   3284 N  N    . GLU A 1 241 ? -52.053 37.746 12.797  1.00 7.76   ?  241  GLU A N    1 
ATOM   3285 C  CA   . GLU A 1 241 ? -53.401 37.906 13.335  1.00 7.93   ?  241  GLU A CA   1 
ATOM   3286 C  C    . GLU A 1 241 ? -54.384 36.854 12.821  1.00 7.95   ?  241  GLU A C    1 
ATOM   3287 O  O    . GLU A 1 241 ? -55.445 36.680 13.390  1.00 8.53   ?  241  GLU A O    1 
ATOM   3288 C  CB   . GLU A 1 241 ? -53.917 39.319 13.069  1.00 9.28   ?  241  GLU A CB   1 
ATOM   3289 C  CG   . GLU A 1 241 ? -54.282 39.638 11.640  1.00 9.22   ?  241  GLU A CG   1 
ATOM   3290 C  CD   . GLU A 1 241 ? -53.144 40.007 10.688  1.00 9.32   ?  241  GLU A CD   1 
ATOM   3291 O  OE1  . GLU A 1 241 ? -51.959 39.886 11.074  1.00 8.48   ?  241  GLU A OE1  1 
ATOM   3292 O  OE2  . GLU A 1 241 ? -53.454 40.393 9.533   1.00 10.75  -1 241  GLU A OE2  1 
ATOM   3293 H  H    . GLU A 1 241 ? -51.722 38.374 12.223  1.00 7.68   ?  241  GLU A H    1 
ATOM   3294 H  HA   . GLU A 1 241 ? -53.337 37.796 14.312  1.00 7.94   ?  241  GLU A HA   1 
ATOM   3295 H  HB2  . GLU A 1 241 ? -54.708 39.464 13.629  1.00 8.92   ?  241  GLU A HB2  1 
ATOM   3296 H  HB3  . GLU A 1 241 ? -53.231 39.954 13.362  1.00 8.93   ?  241  GLU A HB3  1 
ATOM   3297 H  HG2  . GLU A 1 241 ? -54.752 38.867 11.260  1.00 9.25   ?  241  GLU A HG2  1 
ATOM   3298 H  HG3  . GLU A 1 241 ? -54.919 40.385 11.647  1.00 9.19   ?  241  GLU A HG3  1 
ATOM   3299 N  N    . SER A 1 242 ? -54.021 36.086 11.798  1.00 9.25   ?  242  SER A N    1 
ATOM   3300 C  CA   . SER A 1 242 ? -54.874 34.991 11.326  1.00 9.84   ?  242  SER A CA   1 
ATOM   3301 C  C    . SER A 1 242 ? -54.958 33.883 12.377  1.00 9.56   ?  242  SER A C    1 
ATOM   3302 O  O    . SER A 1 242 ? -55.910 33.089 12.403  1.00 11.37  ?  242  SER A O    1 
ATOM   3303 C  CB   . SER A 1 242 ? -54.470 34.447 9.983   1.00 11.10  ?  242  SER A CB   1 
ATOM   3304 O  OG   . SER A 1 242 ? -53.303 33.758 10.128  1.00 12.07  ?  242  SER A OG   1 
ATOM   3305 H  H    . SER A 1 242 ? -53.235 36.250 11.362  1.00 9.00   ?  242  SER A H    1 
ATOM   3306 H  HA   . SER A 1 242 ? -55.791 35.363 11.225  1.00 9.85   ?  242  SER A HA   1 
ATOM   3307 H  HB2  . SER A 1 242 ? -55.173 33.849 9.639   1.00 10.97  ?  242  SER A HB2  1 
ATOM   3308 H  HB3  . SER A 1 242 ? -54.347 35.187 9.346   1.00 11.12  ?  242  SER A HB3  1 
ATOM   3309 H  HG   . SER A 1 242 ? -53.482 32.946 10.287  0.00 12.49  ?  242  SER A HG   1 
ATOM   3310 N  N    . TRP A 1 243 ? -53.987 33.870 13.297  1.00 8.05   ?  243  TRP A N    1 
ATOM   3311 C  CA   . TRP A 1 243 ? -53.957 32.941 14.408  1.00 7.43   ?  243  TRP A CA   1 
ATOM   3312 C  C    . TRP A 1 243 ? -54.821 33.373 15.594  1.00 7.33   ?  243  TRP A C    1 
ATOM   3313 O  O    . TRP A 1 243 ? -54.888 32.685 16.601  1.00 7.10   ?  243  TRP A O    1 
ATOM   3314 C  CB   . TRP A 1 243 ? -52.522 32.663 14.853  1.00 7.67   ?  243  TRP A CB   1 
ATOM   3315 C  CG   . TRP A 1 243 ? -51.811 31.857 13.807  1.00 7.30   ?  243  TRP A CG   1 
ATOM   3316 C  CD1  . TRP A 1 243 ? -51.097 32.315 12.725  1.00 7.15   ?  243  TRP A CD1  1 
ATOM   3317 C  CD2  . TRP A 1 243 ? -51.764 30.433 13.762  1.00 7.29   ?  243  TRP A CD2  1 
ATOM   3318 N  NE1  . TRP A 1 243 ? -50.633 31.258 12.003  1.00 7.12   ?  243  TRP A NE1  1 
ATOM   3319 C  CE2  . TRP A 1 243 ? -51.014 30.086 12.616  1.00 7.33   ?  243  TRP A CE2  1 
ATOM   3320 C  CE3  . TRP A 1 243 ? -52.275 29.423 14.579  1.00 7.46   ?  243  TRP A CE3  1 
ATOM   3321 C  CZ2  . TRP A 1 243 ? -50.759 28.760 12.268  1.00 7.78   ?  243  TRP A CZ2  1 
ATOM   3322 C  CZ3  . TRP A 1 243 ? -52.019 28.121 14.218  1.00 7.20   ?  243  TRP A CZ3  1 
ATOM   3323 C  CH2  . TRP A 1 243 ? -51.271 27.791 13.107  1.00 7.80   ?  243  TRP A CH2  1 
ATOM   3324 H  H    . TRP A 1 243 ? -53.294 34.460 13.214  1.00 8.12   ?  243  TRP A H    1 
ATOM   3325 H  HA   . TRP A 1 243 ? -54.320 32.087 14.074  1.00 7.46   ?  243  TRP A HA   1 
ATOM   3326 H  HB2  . TRP A 1 243 ? -52.057 33.512 14.994  1.00 7.53   ?  243  TRP A HB2  1 
ATOM   3327 H  HB3  . TRP A 1 243 ? -52.536 32.170 15.699  1.00 7.52   ?  243  TRP A HB3  1 
ATOM   3328 H  HD1  . TRP A 1 243 ? -50.978 33.222 12.489  1.00 7.17   ?  243  TRP A HD1  1 
ATOM   3329 H  HE1  . TRP A 1 243 ? -50.150 31.318 11.274  1.00 7.18   ?  243  TRP A HE1  1 
ATOM   3330 H  HE3  . TRP A 1 243 ? -52.783 29.628 15.348  1.00 7.28   ?  243  TRP A HE3  1 
ATOM   3331 H  HZ2  . TRP A 1 243 ? -50.250 28.540 11.506  1.00 7.64   ?  243  TRP A HZ2  1 
ATOM   3332 H  HZ3  . TRP A 1 243 ? -52.357 27.426 14.758  1.00 7.29   ?  243  TRP A HZ3  1 
ATOM   3333 H  HH2  . TRP A 1 243 ? -51.131 26.884 12.899  1.00 7.53   ?  243  TRP A HH2  1 
ATOM   3334 N  N    . ASN A 1 244 ? -55.530 34.491 15.464  1.00 7.38   ?  244  ASN A N    1 
ATOM   3335 C  CA   . ASN A 1 244 ? -56.470 34.894 16.504  1.00 7.15   ?  244  ASN A CA   1 
ATOM   3336 C  C    . ASN A 1 244 ? -57.500 33.785 16.711  1.00 7.22   ?  244  ASN A C    1 
ATOM   3337 O  O    . ASN A 1 244 ? -57.941 33.137 15.753  1.00 8.25   ?  244  ASN A O    1 
ATOM   3338 C  CB   . ASN A 1 244 ? -57.170 36.181 16.137  1.00 7.46   ?  244  ASN A CB   1 
ATOM   3339 C  CG   . ASN A 1 244 ? -56.322 37.392 16.416  1.00 7.56   ?  244  ASN A CG   1 
ATOM   3340 O  OD1  . ASN A 1 244 ? -55.121 37.315 16.629  1.00 7.87   ?  244  ASN A OD1  1 
ATOM   3341 N  ND2  . ASN A 1 244 ? -56.966 38.538 16.445  1.00 8.14   ?  244  ASN A ND2  1 
ATOM   3342 H  H    . ASN A 1 244 ? -55.423 35.024 14.731  1.00 7.32   ?  244  ASN A H    1 
ATOM   3343 H  HA   . ASN A 1 244 ? -55.974 35.035 17.341  1.00 7.24   ?  244  ASN A HA   1 
ATOM   3344 H  HB2  . ASN A 1 244 ? -57.401 36.160 15.187  1.00 7.39   ?  244  ASN A HB2  1 
ATOM   3345 H  HB3  . ASN A 1 244 ? -57.999 36.248 16.651  1.00 7.39   ?  244  ASN A HB3  1 
ATOM   3346 H  HD21 . ASN A 1 244 ? -57.811 38.578 16.184  1.00 7.94   ?  244  ASN A HD21 1 
ATOM   3347 H  HD22 . ASN A 1 244 ? -56.556 39.269 16.725  1.00 7.94   ?  244  ASN A HD22 1 
ATOM   3348 N  N    . GLY A 1 245 ? -57.816 33.537 17.972  1.00 7.10   ?  245  GLY A N    1 
ATOM   3349 C  CA   . GLY A 1 245 ? -58.763 32.502 18.359  1.00 7.13   ?  245  GLY A CA   1 
ATOM   3350 C  C    . GLY A 1 245 ? -58.181 31.103 18.448  1.00 7.11   ?  245  GLY A C    1 
ATOM   3351 O  O    . GLY A 1 245 ? -58.933 30.173 18.716  1.00 8.62   ?  245  GLY A O    1 
ATOM   3352 H  H    . GLY A 1 245 ? -57.428 34.037 18.631  1.00 7.11   ?  245  GLY A H    1 
ATOM   3353 H  HA2  . GLY A 1 245 ? -59.145 32.743 19.240  1.00 7.12   ?  245  GLY A HA2  1 
ATOM   3354 H  HA3  . GLY A 1 245 ? -59.509 32.497 17.708  1.00 7.12   ?  245  GLY A HA3  1 
ATOM   3355 N  N    . PHE A 1 246 ? -56.877 30.997 18.310  1.00 7.42   ?  246  PHE A N    1 
ATOM   3356 C  CA   . PHE A 1 246 ? -56.185 29.734 18.517  1.00 7.07   ?  246  PHE A CA   1 
ATOM   3357 C  C    . PHE A 1 246 ? -55.230 29.886 19.706  1.00 7.34   ?  246  PHE A C    1 
ATOM   3358 O  O    . PHE A 1 246 ? -54.295 30.675 19.677  1.00 7.50   ?  246  PHE A O    1 
ATOM   3359 C  CB   . PHE A 1 246 ? -55.384 29.295 17.302  1.00 6.97   ?  246  PHE A CB   1 
ATOM   3360 C  CG   . PHE A 1 246 ? -54.725 27.965 17.452  1.00 7.21   ?  246  PHE A CG   1 
ATOM   3361 C  CD1  . PHE A 1 246 ? -55.437 26.804 17.254  1.00 7.39   ?  246  PHE A CD1  1 
ATOM   3362 C  CD2  . PHE A 1 246 ? -53.406 27.856 17.863  1.00 7.16   ?  246  PHE A CD2  1 
ATOM   3363 C  CE1  . PHE A 1 246 ? -54.846 25.577 17.464  1.00 7.35   ?  246  PHE A CE1  1 
ATOM   3364 C  CE2  . PHE A 1 246 ? -52.818 26.626 18.041  1.00 7.31   ?  246  PHE A CE2  1 
ATOM   3365 C  CZ   . PHE A 1 246 ? -53.539 25.484 17.873  1.00 7.59   ?  246  PHE A CZ   1 
ATOM   3366 H  H    . PHE A 1 246 ? -56.384 31.732 18.084  1.00 7.15   ?  246  PHE A H    1 
ATOM   3367 H  HA   . PHE A 1 246 ? -56.849 29.031 18.729  1.00 7.11   ?  246  PHE A HA   1 
ATOM   3368 H  HB2  . PHE A 1 246 ? -55.985 29.265 16.529  1.00 7.06   ?  246  PHE A HB2  1 
ATOM   3369 H  HB3  . PHE A 1 246 ? -54.697 29.970 17.121  1.00 7.01   ?  246  PHE A HB3  1 
ATOM   3370 H  HD1  . PHE A 1 246 ? -56.346 26.851 17.005  1.00 7.37   ?  246  PHE A HD1  1 
ATOM   3371 H  HD2  . PHE A 1 246 ? -52.902 28.640 18.012  1.00 7.17   ?  246  PHE A HD2  1 
ATOM   3372 H  HE1  . PHE A 1 246 ? -55.346 24.789 17.317  1.00 7.39   ?  246  PHE A HE1  1 
ATOM   3373 H  HE2  . PHE A 1 246 ? -51.917 26.575 18.318  1.00 7.28   ?  246  PHE A HE2  1 
ATOM   3374 H  HZ   . PHE A 1 246 ? -53.128 24.640 17.974  1.00 7.44   ?  246  PHE A HZ   1 
ATOM   3375 N  N    . LYS A 1 247 ? -55.518 29.138 20.778  1.00 7.03   ?  247  LYS A N    1 
ATOM   3376 C  CA   . LYS A 1 247 ? -54.685 29.071 21.980  1.00 6.81   ?  247  LYS A CA   1 
ATOM   3377 C  C    . LYS A 1 247 ? -54.390 30.478 22.527  1.00 6.71   ?  247  LYS A C    1 
ATOM   3378 O  O    . LYS A 1 247 ? -53.281 30.769 22.978  1.00 7.31   ?  247  LYS A O    1 
ATOM   3379 C  CB   . LYS A 1 247 ? -53.380 28.303 21.731  1.00 7.23   ?  247  LYS A CB   1 
ATOM   3380 C  CG   . LYS A 1 247 ? -53.547 26.791 21.618  1.00 7.43   ?  247  LYS A CG   1 
ATOM   3381 C  CD   . LYS A 1 247 ? -54.066 26.122 22.870  1.00 7.49   ?  247  LYS A CD   1 
ATOM   3382 C  CE   . LYS A 1 247 ? -53.618 24.687 22.956  1.00 7.88   ?  247  LYS A CE   1 
ATOM   3383 N  NZ   . LYS A 1 247 ? -54.415 23.953 23.953  1.00 8.16   1  247  LYS A NZ   1 
ATOM   3384 H  H    . LYS A 1 247 ? -56.284 28.639 20.763  1.00 7.01   ?  247  LYS A H    1 
ATOM   3385 H  HA   . LYS A 1 247 ? -55.196 28.585 22.665  1.00 6.90   ?  247  LYS A HA   1 
ATOM   3386 H  HB2  . LYS A 1 247 ? -52.974 28.636 20.904  1.00 7.16   ?  247  LYS A HB2  1 
ATOM   3387 H  HB3  . LYS A 1 247 ? -52.761 28.491 22.465  1.00 7.19   ?  247  LYS A HB3  1 
ATOM   3388 H  HG2  . LYS A 1 247 ? -54.163 26.600 20.880  1.00 7.37   ?  247  LYS A HG2  1 
ATOM   3389 H  HG3  . LYS A 1 247 ? -52.677 26.399 21.388  1.00 7.41   ?  247  LYS A HG3  1 
ATOM   3390 H  HD2  . LYS A 1 247 ? -53.741 26.609 23.657  1.00 7.50   ?  247  LYS A HD2  1 
ATOM   3391 H  HD3  . LYS A 1 247 ? -55.046 26.155 22.872  1.00 7.49   ?  247  LYS A HD3  1 
ATOM   3392 H  HE2  . LYS A 1 247 ? -53.718 24.257 22.086  1.00 7.84   ?  247  LYS A HE2  1 
ATOM   3393 H  HE3  . LYS A 1 247 ? -52.676 24.650 23.208  1.00 7.83   ?  247  LYS A HE3  1 
ATOM   3394 H  HZ1  . LYS A 1 247 ? -55.298 24.045 23.772  1.00 8.06   ?  247  LYS A HZ1  1 
ATOM   3395 H  HZ2  . LYS A 1 247 ? -54.246 24.280 24.782  1.00 8.12   ?  247  LYS A HZ2  1 
ATOM   3396 H  HZ3  . LYS A 1 247 ? -54.197 23.072 23.931  1.00 8.08   ?  247  LYS A HZ3  1 
ATOM   3397 N  N    . THR A 1 248 ? -55.419 31.322 22.601  1.00 6.80   ?  248  THR A N    1 
ATOM   3398 C  CA   . THR A 1 248 ? -55.262 32.662 23.144  1.00 7.02   ?  248  THR A CA   1 
ATOM   3399 C  C    . THR A 1 248 ? -55.245 32.630 24.665  1.00 7.20   ?  248  THR A C    1 
ATOM   3400 O  O    . THR A 1 248 ? -56.272 32.300 25.256  1.00 7.44   ?  248  THR A O    1 
ATOM   3401 C  CB   . THR A 1 248 ? -56.388 33.523 22.597  1.00 7.04   ?  248  THR A CB   1 
ATOM   3402 O  OG1  . THR A 1 248 ? -56.306 33.478 21.168  1.00 7.71   ?  248  THR A OG1  1 
ATOM   3403 C  CG2  . THR A 1 248 ? -56.296 34.947 23.088  1.00 7.26   ?  248  THR A CG2  1 
ATOM   3404 H  H    . THR A 1 248 ? -56.245 31.055 22.313  1.00 6.84   ?  248  THR A H    1 
ATOM   3405 H  HA   . THR A 1 248 ? -54.404 33.026 22.823  1.00 7.00   ?  248  THR A HA   1 
ATOM   3406 H  HB   . THR A 1 248 ? -57.249 33.136 22.885  1.00 7.10   ?  248  THR A HB   1 
ATOM   3407 H  HG1  . THR A 1 248 ? -55.554 33.777 20.916  0.00 7.91   ?  248  THR A HG1  1 
ATOM   3408 H  HG21 . THR A 1 248 ? -56.931 35.501 22.598  1.00 7.13   ?  248  THR A HG21 1 
ATOM   3409 H  HG22 . THR A 1 248 ? -55.393 35.283 22.943  1.00 7.19   ?  248  THR A HG22 1 
ATOM   3410 H  HG23 . THR A 1 248 ? -56.506 34.980 24.039  1.00 7.22   ?  248  THR A HG23 1 
ATOM   3411 N  N    . GLU A 1 249 ? -54.112 32.933 25.292  1.00 7.12   ?  249  GLU A N    1 
ATOM   3412 C  CA   . GLU A 1 249 ? -53.926 32.605 26.703  1.00 7.71   ?  249  GLU A CA   1 
ATOM   3413 C  C    . GLU A 1 249 ? -52.986 33.596 27.386  1.00 7.83   ?  249  GLU A C    1 
ATOM   3414 O  O    . GLU A 1 249 ? -52.269 33.229 28.343  1.00 7.94   ?  249  GLU A O    1 
ATOM   3415 C  CB   . GLU A 1 249 ? -53.361 31.196 26.864  1.00 8.18   ?  249  GLU A CB   1 
ATOM   3416 C  CG   . GLU A 1 249 ? -54.287 30.119 26.350  1.00 7.81   ?  249  GLU A CG   1 
ATOM   3417 C  CD   . GLU A 1 249 ? -53.899 28.713 26.795  1.00 8.01   ?  249  GLU A CD   1 
ATOM   3418 O  OE1  . GLU A 1 249 ? -53.006 28.552 27.655  1.00 8.96   ?  249  GLU A OE1  1 
ATOM   3419 O  OE2  . GLU A 1 249 ? -54.540 27.766 26.280  1.00 8.45   -1 249  GLU A OE2  1 
ATOM   3420 H  H    . GLU A 1 249 ? -53.434 33.342 24.836  1.00 7.21   ?  249  GLU A H    1 
ATOM   3421 H  HA   . GLU A 1 249 ? -54.800 32.648 27.151  1.00 7.64   ?  249  GLU A HA   1 
ATOM   3422 H  HB2  . GLU A 1 249 ? -52.508 31.142 26.384  1.00 8.01   ?  249  GLU A HB2  1 
ATOM   3423 H  HB3  . GLU A 1 249 ? -53.184 31.035 27.814  1.00 7.99   ?  249  GLU A HB3  1 
ATOM   3424 H  HG2  . GLU A 1 249 ? -55.198 30.305 26.658  1.00 7.88   ?  249  GLU A HG2  1 
ATOM   3425 H  HG3  . GLU A 1 249 ? -54.293 30.143 25.371  1.00 7.90   ?  249  GLU A HG3  1 
ATOM   3426 N  N    . GLY A 1 250 ? -52.954 34.853 26.970  1.00 7.99   ?  250  GLY A N    1 
ATOM   3427 C  CA   . GLY A 1 250 ? -52.139 35.801 27.722  1.00 7.99   ?  250  GLY A CA   1 
ATOM   3428 C  C    . GLY A 1 250 ? -50.650 35.449 27.575  1.00 8.27   ?  250  GLY A C    1 
ATOM   3429 O  O    . GLY A 1 250 ? -50.205 35.103 26.469  1.00 9.18   ?  250  GLY A O    1 
ATOM   3430 H  H    . GLY A 1 250 ? -53.431 35.133 26.243  1.00 7.88   ?  250  GLY A H    1 
ATOM   3431 H  HA2  . GLY A 1 250 ? -52.300 36.715 27.379  1.00 7.98   ?  250  GLY A HA2  1 
ATOM   3432 H  HA3  . GLY A 1 250 ? -52.398 35.773 28.678  1.00 8.00   ?  250  GLY A HA3  1 
ATOM   3433 N  N    . SER A 1 251 ? -49.866 35.497 28.648  1.00 8.86   ?  251  SER A N    1 
ATOM   3434 C  CA   . SER A 1 251 ? -48.443 35.234 28.566  1.00 9.07   ?  251  SER A CA   1 
ATOM   3435 C  C    . SER A 1 251 ? -48.113 33.793 28.176  1.00 8.21   ?  251  SER A C    1 
ATOM   3436 O  O    . SER A 1 251 ? -46.960 33.511 27.849  1.00 9.58   ?  251  SER A O    1 
ATOM   3437 C  CB   . SER A 1 251 ? -47.724 35.532 29.865  1.00 10.30  ?  251  SER A CB   1 
ATOM   3438 O  OG   . SER A 1 251 ? -47.729 36.885 30.114  1.00 14.50  ?  251  SER A OG   1 
ATOM   3439 H  H    . SER A 1 251 ? -50.230 35.702 29.461  1.00 8.82   ?  251  SER A H    1 
ATOM   3440 H  HA   . SER A 1 251 ? -48.068 35.831 27.864  1.00 9.01   ?  251  SER A HA   1 
ATOM   3441 H  HB2  . SER A 1 251 ? -48.171 35.059 30.603  1.00 10.48  ?  251  SER A HB2  1 
ATOM   3442 H  HB3  . SER A 1 251 ? -46.795 35.212 29.810  1.00 10.53  ?  251  SER A HB3  1 
ATOM   3443 H  HG   . SER A 1 251 ? -48.422 37.097 30.551  0.00 15.13  ?  251  SER A HG   1 
ATOM   3444 N  N    . LYS A 1 252 ? -49.047 32.863 28.308  1.00 7.82   ?  252  LYS A N    1 
ATOM   3445 C  CA   . LYS A 1 252 ? -48.750 31.449 28.166  1.00 7.53   ?  252  LYS A CA   1 
ATOM   3446 C  C    . LYS A 1 252 ? -48.380 31.072 26.736  1.00 7.07   ?  252  LYS A C    1 
ATOM   3447 O  O    . LYS A 1 252 ? -47.615 30.141 26.563  1.00 8.14   ?  252  LYS A O    1 
ATOM   3448 C  CB   . LYS A 1 252 ? -49.926 30.652 28.707  1.00 8.02   ?  252  LYS A CB   1 
ATOM   3449 C  CG   . LYS A 1 252 ? -49.783 29.164 28.551  1.00 8.96   ?  252  LYS A CG   1 
ATOM   3450 C  CD   . LYS A 1 252 ? -48.653 28.539 29.286  1.00 10.00  ?  252  LYS A CD   1 
ATOM   3451 C  CE   . LYS A 1 252 ? -48.578 27.067 28.958  1.00 11.37  ?  252  LYS A CE   1 
ATOM   3452 N  NZ   . LYS A 1 252 ? -47.550 26.357 29.745  1.00 12.23  1  252  LYS A NZ   1 
ATOM   3453 H  H    . LYS A 1 252 ? -49.904 33.111 28.505  1.00 7.81   ?  252  LYS A H    1 
ATOM   3454 H  HA   . LYS A 1 252 ? -47.970 31.256 28.736  1.00 7.54   ?  252  LYS A HA   1 
ATOM   3455 H  HB2  . LYS A 1 252 ? -50.033 30.860 29.659  1.00 7.99   ?  252  LYS A HB2  1 
ATOM   3456 H  HB3  . LYS A 1 252 ? -50.739 30.940 28.242  1.00 7.98   ?  252  LYS A HB3  1 
ATOM   3457 H  HG2  . LYS A 1 252 ? -50.616 28.745 28.855  1.00 8.90   ?  252  LYS A HG2  1 
ATOM   3458 H  HG3  . LYS A 1 252 ? -49.687 28.958 27.597  1.00 8.93   ?  252  LYS A HG3  1 
ATOM   3459 H  HD2  . LYS A 1 252 ? -47.811 28.972 29.031  1.00 9.94   ?  252  LYS A HD2  1 
ATOM   3460 H  HD3  . LYS A 1 252 ? -48.784 28.652 30.251  1.00 9.98   ?  252  LYS A HD3  1 
ATOM   3461 H  HE2  . LYS A 1 252 ? -49.445 26.654 29.129  1.00 11.27  ?  252  LYS A HE2  1 
ATOM   3462 H  HE3  . LYS A 1 252 ? -48.378 26.958 28.009  1.00 11.25  ?  252  LYS A HE3  1 
ATOM   3463 H  HZ1  . LYS A 1 252 ? -47.793 26.336 30.618  1.00 11.93  ?  252  LYS A HZ1  1 
ATOM   3464 H  HZ2  . LYS A 1 252 ? -46.753 26.784 29.668  1.00 11.92  ?  252  LYS A HZ2  1 
ATOM   3465 H  HZ3  . LYS A 1 252 ? -47.462 25.507 29.441  1.00 12.04  ?  252  LYS A HZ3  1 
ATOM   3466 N  N    . VAL A 1 253 ? -49.019 31.691 25.747  1.00 6.78   ?  253  VAL A N    1 
ATOM   3467 C  CA   . VAL A 1 253 ? -48.871 31.279 24.355  1.00 7.06   ?  253  VAL A CA   1 
ATOM   3468 C  C    . VAL A 1 253 ? -48.445 32.485 23.527  1.00 7.15   ?  253  VAL A C    1 
ATOM   3469 O  O    . VAL A 1 253 ? -49.172 33.450 23.436  1.00 7.50   ?  253  VAL A O    1 
ATOM   3470 C  CB   . VAL A 1 253 ? -50.145 30.631 23.807  1.00 7.17   ?  253  VAL A CB   1 
ATOM   3471 C  CG1  . VAL A 1 253 ? -49.959 30.352 22.313  1.00 7.38   ?  253  VAL A CG1  1 
ATOM   3472 C  CG2  . VAL A 1 253 ? -50.496 29.353 24.550  1.00 7.65   ?  253  VAL A CG2  1 
ATOM   3473 H  H    . VAL A 1 253 ? -49.572 32.393 25.940  1.00 6.90   ?  253  VAL A H    1 
ATOM   3474 H  HA   . VAL A 1 253 ? -48.161 30.619 24.312  1.00 7.03   ?  253  VAL A HA   1 
ATOM   3475 H  HB   . VAL A 1 253 ? -50.888 31.273 23.917  1.00 7.26   ?  253  VAL A HB   1 
ATOM   3476 H  HG11 . VAL A 1 253 ? -49.091 29.935 22.165  1.00 7.32   ?  253  VAL A HG11 1 
ATOM   3477 H  HG12 . VAL A 1 253 ? -50.007 31.188 21.815  1.00 7.34   ?  253  VAL A HG12 1 
ATOM   3478 H  HG13 . VAL A 1 253 ? -50.663 29.753 22.005  1.00 7.34   ?  253  VAL A HG13 1 
ATOM   3479 H  HG21 . VAL A 1 253 ? -51.306 28.969 24.172  1.00 7.54   ?  253  VAL A HG21 1 
ATOM   3480 H  HG22 . VAL A 1 253 ? -50.641 29.553 25.491  1.00 7.52   ?  253  VAL A HG22 1 
ATOM   3481 H  HG23 . VAL A 1 253 ? -49.765 28.716 24.464  1.00 7.55   ?  253  VAL A HG23 1 
ATOM   3482 N  N    . VAL A 1 254 ? -47.238 32.432 22.986  1.00 6.83   ?  254  VAL A N    1 
ATOM   3483 C  CA   . VAL A 1 254 ? -46.635 33.572 22.332  1.00 6.96   ?  254  VAL A CA   1 
ATOM   3484 C  C    . VAL A 1 254 ? -46.486 33.228 20.853  1.00 6.42   ?  254  VAL A C    1 
ATOM   3485 O  O    . VAL A 1 254 ? -45.925 32.201 20.503  1.00 6.61   ?  254  VAL A O    1 
ATOM   3486 C  CB   . VAL A 1 254 ? -45.264 33.868 22.960  1.00 7.22   ?  254  VAL A CB   1 
ATOM   3487 C  CG1  . VAL A 1 254 ? -44.564 35.006 22.264  1.00 7.36   ?  254  VAL A CG1  1 
ATOM   3488 C  CG2  . VAL A 1 254 ? -45.384 34.108 24.452  1.00 7.59   ?  254  VAL A CG2  1 
ATOM   3489 H  H    . VAL A 1 254 ? -46.767 31.649 23.021  1.00 6.92   ?  254  VAL A H    1 
ATOM   3490 H  HA   . VAL A 1 254 ? -47.212 34.350 22.430  1.00 6.89   ?  254  VAL A HA   1 
ATOM   3491 H  HB   . VAL A 1 254 ? -44.709 33.060 22.835  1.00 7.23   ?  254  VAL A HB   1 
ATOM   3492 H  HG11 . VAL A 1 254 ? -45.169 35.766 22.196  1.00 7.34   ?  254  VAL A HG11 1 
ATOM   3493 H  HG12 . VAL A 1 254 ? -44.293 34.726 21.372  1.00 7.31   ?  254  VAL A HG12 1 
ATOM   3494 H  HG13 . VAL A 1 254 ? -43.777 35.264 22.774  1.00 7.26   ?  254  VAL A HG13 1 
ATOM   3495 H  HG21 . VAL A 1 254 ? -44.510 34.331 24.815  1.00 7.50   ?  254  VAL A HG21 1 
ATOM   3496 H  HG22 . VAL A 1 254 ? -45.717 33.303 24.886  1.00 7.50   ?  254  VAL A HG22 1 
ATOM   3497 H  HG23 . VAL A 1 254 ? -46.000 34.843 24.615  1.00 7.52   ?  254  VAL A HG23 1 
ATOM   3498 N  N    . MET A 1 255 ? -47.003 34.109 19.994  1.00 6.47   ?  255  MET A N    1 
ATOM   3499 C  CA   . MET A 1 255 ? -46.749 33.927 18.556  1.00 6.13   ?  255  MET A CA   1 
ATOM   3500 C  C    . MET A 1 255 ? -45.365 34.442 18.198  1.00 6.21   ?  255  MET A C    1 
ATOM   3501 O  O    . MET A 1 255 ? -44.897 35.420 18.770  1.00 6.96   ?  255  MET A O    1 
ATOM   3502 C  CB   . MET A 1 255 ? -47.826 34.657 17.735  1.00 6.47   ?  255  MET A CB   1 
ATOM   3503 C  CG   . MET A 1 255 ? -49.261 34.133 17.933  1.00 6.57   ?  255  MET A CG   1 
ATOM   3504 S  SD   . MET A 1 255 ? -49.440 32.386 17.577  1.00 7.45   ?  255  MET A SD   1 
ATOM   3505 C  CE   . MET A 1 255 ? -48.943 32.279 15.869  1.00 7.58   ?  255  MET A CE   1 
ATOM   3506 H  H    . MET A 1 255 ? -47.508 34.814 20.284  1.00 6.39   ?  255  MET A H    1 
ATOM   3507 H  HA   . MET A 1 255 ? -46.787 32.966 18.357  1.00 6.26   ?  255  MET A HA   1 
ATOM   3508 H  HB2  . MET A 1 255 ? -47.804 35.604 17.973  1.00 6.42   ?  255  MET A HB2  1 
ATOM   3509 H  HB3  . MET A 1 255 ? -47.594 34.588 16.788  1.00 6.42   ?  255  MET A HB3  1 
ATOM   3510 H  HG2  . MET A 1 255 ? -49.535 34.294 18.861  1.00 6.63   ?  255  MET A HG2  1 
ATOM   3511 H  HG3  . MET A 1 255 ? -49.869 34.636 17.350  1.00 6.60   ?  255  MET A HG3  1 
ATOM   3512 H  HE1  . MET A 1 255 ? -49.493 32.867 15.338  1.00 7.51   ?  255  MET A HE1  1 
ATOM   3513 H  HE2  . MET A 1 255 ? -48.018 32.540 15.786  1.00 7.52   ?  255  MET A HE2  1 
ATOM   3514 H  HE3  . MET A 1 255 ? -49.050 31.371 15.560  1.00 7.51   ?  255  MET A HE3  1 
ATOM   3515 N  N    . ASP A 1 256 ? -44.763 33.771 17.222  1.00 6.23   ?  256  ASP A N    1 
ATOM   3516 C  CA   . ASP A 1 256 ? -43.482 34.180 16.666  1.00 6.26   ?  256  ASP A CA   1 
ATOM   3517 C  C    . ASP A 1 256 ? -43.645 34.494 15.191  1.00 6.32   ?  256  ASP A C    1 
ATOM   3518 O  O    . ASP A 1 256 ? -43.970 33.593 14.422  1.00 6.74   ?  256  ASP A O    1 
ATOM   3519 C  CB   . ASP A 1 256 ? -42.466 33.060 16.840  1.00 6.58   ?  256  ASP A CB   1 
ATOM   3520 C  CG   . ASP A 1 256 ? -41.112 33.351 16.245  1.00 6.60   ?  256  ASP A CG   1 
ATOM   3521 O  OD1  . ASP A 1 256 ? -40.824 34.542 15.969  1.00 6.68   ?  256  ASP A OD1  1 
ATOM   3522 O  OD2  . ASP A 1 256 ? -40.344 32.371 16.057  1.00 7.10   -1 256  ASP A OD2  1 
ATOM   3523 H  H    . ASP A 1 256 ? -45.165 33.023 16.882  1.00 6.22   ?  256  ASP A H    1 
ATOM   3524 H  HA   . ASP A 1 256 ? -43.164 34.981 17.141  1.00 6.31   ?  256  ASP A HA   1 
ATOM   3525 H  HB2  . ASP A 1 256 ? -42.347 32.888 17.796  1.00 6.50   ?  256  ASP A HB2  1 
ATOM   3526 H  HB3  . ASP A 1 256 ? -42.815 32.245 16.425  1.00 6.51   ?  256  ASP A HB3  1 
ATOM   3527 N  N    . THR A 1 257 ? -43.432 35.770 14.858  1.00 6.96   ?  257  THR A N    1 
ATOM   3528 C  CA   . THR A 1 257 ? -43.461 36.180 13.458  1.00 7.02   ?  257  THR A CA   1 
ATOM   3529 C  C    . THR A 1 257 ? -42.066 36.651 13.090  1.00 6.84   ?  257  THR A C    1 
ATOM   3530 O  O    . THR A 1 257 ? -41.321 37.178 13.894  1.00 7.14   ?  257  THR A O    1 
ATOM   3531 C  CB   . THR A 1 257 ? -44.557 37.221 13.214  1.00 8.08   ?  257  THR A CB   1 
ATOM   3532 O  OG1  . THR A 1 257 ? -44.787 37.355 11.819  1.00 9.59   ?  257  THR A OG1  1 
ATOM   3533 C  CG2  . THR A 1 257 ? -44.162 38.549 13.776  1.00 8.49   ?  257  THR A CG2  1 
ATOM   3534 H  H    . THR A 1 257 ? -43.265 36.394 15.504  1.00 6.75   ?  257  THR A H    1 
ATOM   3535 H  HA   . THR A 1 257 ? -43.670 35.387 12.914  1.00 7.05   ?  257  THR A HA   1 
ATOM   3536 H  HB   . THR A 1 257 ? -45.386 36.916 13.654  1.00 8.01   ?  257  THR A HB   1 
ATOM   3537 H  HG1  . THR A 1 257 ? -44.072 37.602 11.430  0.00 9.93   ?  257  THR A HG1  1 
ATOM   3538 H  HG21 . THR A 1 257 ? -44.928 39.151 13.754  1.00 8.38   ?  257  THR A HG21 1 
ATOM   3539 H  HG22 . THR A 1 257 ? -43.439 38.929 13.245  1.00 8.31   ?  257  THR A HG22 1 
ATOM   3540 H  HG23 . THR A 1 257 ? -43.865 38.439 14.697  1.00 8.39   ?  257  THR A HG23 1 
ATOM   3541 N  N    . HIS A 1 258 ? -41.687 36.373 11.841  1.00 7.24   ?  258  HIS A N    1 
ATOM   3542 C  CA   . HIS A 1 258 ? -40.376 36.727 11.330  1.00 7.19   ?  258  HIS A CA   1 
ATOM   3543 C  C    . HIS A 1 258 ? -40.530 37.837 10.301  1.00 7.67   ?  258  HIS A C    1 
ATOM   3544 O  O    . HIS A 1 258 ? -41.346 37.693 9.410   1.00 9.56   ?  258  HIS A O    1 
ATOM   3545 C  CB   . HIS A 1 258 ? -39.649 35.525 10.766  1.00 7.10   ?  258  HIS A CB   1 
ATOM   3546 C  CG   . HIS A 1 258 ? -39.413 34.433 11.768  1.00 7.02   ?  258  HIS A CG   1 
ATOM   3547 N  ND1  . HIS A 1 258 ? -38.934 33.177 11.431  1.00 7.26   ?  258  HIS A ND1  1 
ATOM   3548 C  CD2  . HIS A 1 258 ? -39.600 34.386 13.122  1.00 7.41   ?  258  HIS A CD2  1 
ATOM   3549 C  CE1  . HIS A 1 258 ? -38.800 32.464 12.547  1.00 6.89   ?  258  HIS A CE1  1 
ATOM   3550 N  NE2  . HIS A 1 258 ? -39.231 33.168 13.564  1.00 6.78   ?  258  HIS A NE2  1 
ATOM   3551 H  H    . HIS A 1 258 ? -42.271 35.946 11.282  1.00 7.10   ?  258  HIS A H    1 
ATOM   3552 H  HA   . HIS A 1 258 ? -39.842 37.077 12.082  1.00 7.25   ?  258  HIS A HA   1 
ATOM   3553 H  HB2  . HIS A 1 258 ? -40.173 35.163 10.019  1.00 7.13   ?  258  HIS A HB2  1 
ATOM   3554 H  HB3  . HIS A 1 258 ? -38.783 35.821 10.409  1.00 7.09   ?  258  HIS A HB3  1 
ATOM   3555 H  HD1  . HIS A 1 258 ? -38.730 32.904 10.622  0.00 7.36   ?  258  HIS A HD1  1 
ATOM   3556 H  HD2  . HIS A 1 258 ? -39.920 35.080 13.662  1.00 7.17   ?  258  HIS A HD2  1 
ATOM   3557 H  HE1  . HIS A 1 258 ? -38.508 31.573 12.582  1.00 6.90   ?  258  HIS A HE1  1 
ATOM   3558 H  HE2  . HIS A 1 258 ? -39.242 32.900 14.402  0.00 6.72   ?  258  HIS A HE2  1 
ATOM   3559 N  N    . HIS A 1 259 ? -39.779 38.917 10.464  1.00 7.56   ?  259  HIS A N    1 
ATOM   3560 C  CA   . HIS A 1 259 ? -39.951 40.084 9.617   1.00 7.33   ?  259  HIS A CA   1 
ATOM   3561 C  C    . HIS A 1 259 ? -38.638 40.427 8.932   1.00 7.41   ?  259  HIS A C    1 
ATOM   3562 O  O    . HIS A 1 259 ? -37.701 40.910 9.578   1.00 7.66   ?  259  HIS A O    1 
ATOM   3563 C  CB   . HIS A 1 259 ? -40.441 41.282 10.414  1.00 7.73   ?  259  HIS A CB   1 
ATOM   3564 C  CG   . HIS A 1 259 ? -40.795 42.454 9.559   1.00 8.33   ?  259  HIS A CG   1 
ATOM   3565 N  ND1  . HIS A 1 259 ? -41.910 42.425 8.771   1.00 8.66   ?  259  HIS A ND1  1 
ATOM   3566 C  CD2  . HIS A 1 259 ? -40.214 43.679 9.364   1.00 8.76   ?  259  HIS A CD2  1 
ATOM   3567 C  CE1  . HIS A 1 259 ? -41.977 43.581 8.117   1.00 8.97   ?  259  HIS A CE1  1 
ATOM   3568 N  NE2  . HIS A 1 259 ? -40.986 44.366 8.467   1.00 9.04   ?  259  HIS A NE2  1 
ATOM   3569 H  H    . HIS A 1 259 ? -39.138 38.933 11.116  1.00 7.50   ?  259  HIS A H    1 
ATOM   3570 H  HA   . HIS A 1 259 ? -40.621 39.876 8.922   1.00 7.48   ?  259  HIS A HA   1 
ATOM   3571 H  HB2  . HIS A 1 259 ? -41.232 41.014 10.931  1.00 7.67   ?  259  HIS A HB2  1 
ATOM   3572 H  HB3  . HIS A 1 259 ? -39.742 41.549 11.049  1.00 7.66   ?  259  HIS A HB3  1 
ATOM   3573 H  HD1  . HIS A 1 259 ? -42.479 41.758 8.707   0.00 9.00   ?  259  HIS A HD1  1 
ATOM   3574 H  HD2  . HIS A 1 259 ? -39.436 44.000 9.775   1.00 8.65   ?  259  HIS A HD2  1 
ATOM   3575 H  HE1  . HIS A 1 259 ? -42.663 43.807 7.512   1.00 8.82   ?  259  HIS A HE1  1 
ATOM   3576 H  HE2  . HIS A 1 259 ? -40.831 45.169 8.164   0.00 9.54   ?  259  HIS A HE2  1 
ATOM   3577 N  N    . TYR A 1 260 ? -38.627 40.277 7.598   1.00 6.68   ?  260  TYR A N    1 
ATOM   3578 C  CA   . TYR A 1 260 ? -37.447 40.471 6.768   1.00 6.98   ?  260  TYR A CA   1 
ATOM   3579 C  C    . TYR A 1 260 ? -37.838 41.260 5.530   1.00 7.15   ?  260  TYR A C    1 
ATOM   3580 O  O    . TYR A 1 260 ? -38.950 41.137 5.054   1.00 7.58   ?  260  TYR A O    1 
ATOM   3581 C  CB   . TYR A 1 260 ? -36.919 39.122 6.312   1.00 7.08   ?  260  TYR A CB   1 
ATOM   3582 C  CG   . TYR A 1 260 ? -36.233 38.325 7.383   1.00 7.05   ?  260  TYR A CG   1 
ATOM   3583 C  CD1  . TYR A 1 260 ? -35.088 38.787 7.994   1.00 7.08   ?  260  TYR A CD1  1 
ATOM   3584 C  CD2  . TYR A 1 260 ? -36.703 37.092 7.783   1.00 7.42   ?  260  TYR A CD2  1 
ATOM   3585 C  CE1  . TYR A 1 260 ? -34.401 38.050 8.925   1.00 7.11   ?  260  TYR A CE1  1 
ATOM   3586 C  CE2  . TYR A 1 260 ? -36.005 36.307 8.685   1.00 7.18   ?  260  TYR A CE2  1 
ATOM   3587 C  CZ   . TYR A 1 260 ? -34.858 36.806 9.272   1.00 7.52   ?  260  TYR A CZ   1 
ATOM   3588 O  OH   . TYR A 1 260 ? -34.093 36.044 10.126  1.00 8.06   ?  260  TYR A OH   1 
ATOM   3589 H  H    . TYR A 1 260 ? -39.406 40.037 7.184   1.00 6.84   ?  260  TYR A H    1 
ATOM   3590 H  HA   . TYR A 1 260 ? -36.748 40.960 7.272   1.00 6.92   ?  260  TYR A HA   1 
ATOM   3591 H  HB2  . TYR A 1 260 ? -37.671 38.600 5.961   1.00 7.07   ?  260  TYR A HB2  1 
ATOM   3592 H  HB3  . TYR A 1 260 ? -36.290 39.269 5.577   1.00 7.05   ?  260  TYR A HB3  1 
ATOM   3593 H  HD1  . TYR A 1 260 ? -34.744 39.627 7.738   1.00 7.05   ?  260  TYR A HD1  1 
ATOM   3594 H  HD2  . TYR A 1 260 ? -37.464 36.731 7.358   1.00 7.29   ?  260  TYR A HD2  1 
ATOM   3595 H  HE1  . TYR A 1 260 ? -33.595 38.377 9.290   1.00 7.12   ?  260  TYR A HE1  1 
ATOM   3596 H  HE2  . TYR A 1 260 ? -36.323 35.451 8.919   1.00 7.23   ?  260  TYR A HE2  1 
ATOM   3597 H  HH   . TYR A 1 260 ? -33.356 36.366 10.436  0.00 8.00   ?  260  TYR A HH   1 
ATOM   3598 N  N    . HIS A 1 261 ? -36.901 42.052 5.004   1.00 6.81   ?  261  HIS A N    1 
ATOM   3599 C  CA   . HIS A 1 261 ? -37.217 42.892 3.873   1.00 7.50   ?  261  HIS A CA   1 
ATOM   3600 C  C    . HIS A 1 261 ? -36.493 42.451 2.600   1.00 7.67   ?  261  HIS A C    1 
ATOM   3601 O  O    . HIS A 1 261 ? -36.623 43.162 1.607   1.00 9.38   ?  261  HIS A O    1 
ATOM   3602 C  CB   . HIS A 1 261 ? -36.868 44.348 4.160   1.00 8.01   ?  261  HIS A CB   1 
ATOM   3603 C  CG   . HIS A 1 261 ? -37.824 45.024 5.066   1.00 7.81   ?  261  HIS A CG   1 
ATOM   3604 N  ND1  . HIS A 1 261 ? -38.033 46.368 5.025   1.00 7.79   ?  261  HIS A ND1  1 
ATOM   3605 C  CD2  . HIS A 1 261 ? -38.667 44.562 5.987   1.00 8.76   ?  261  HIS A CD2  1 
ATOM   3606 C  CE1  . HIS A 1 261 ? -38.958 46.691 5.917   1.00 8.07   ?  261  HIS A CE1  1 
ATOM   3607 N  NE2  . HIS A 1 261 ? -39.342 45.607 6.515   1.00 8.14   ?  261  HIS A NE2  1 
ATOM   3608 H  H    . HIS A 1 261 ? -36.057 42.068 5.354   1.00 6.92   ?  261  HIS A H    1 
ATOM   3609 H  HA   . HIS A 1 261 ? -38.189 42.838 3.705   1.00 7.45   ?  261  HIS A HA   1 
ATOM   3610 H  HB2  . HIS A 1 261 ? -35.972 44.383 4.559   1.00 7.87   ?  261  HIS A HB2  1 
ATOM   3611 H  HB3  . HIS A 1 261 ? -36.837 44.840 3.311   1.00 7.89   ?  261  HIS A HB3  1 
ATOM   3612 H  HD1  . HIS A 1 261 ? -37.641 46.933 4.480   0.00 8.02   ?  261  HIS A HD1  1 
ATOM   3613 H  HD2  . HIS A 1 261 ? -38.767 43.670 6.254   1.00 8.18   ?  261  HIS A HD2  1 
ATOM   3614 H  HE1  . HIS A 1 261 ? -39.270 47.558 6.095   1.00 8.04   ?  261  HIS A HE1  1 
ATOM   3615 H  HE2  . HIS A 1 261 ? -39.955 45.559 7.144   0.00 8.43   ?  261  HIS A HE2  1 
ATOM   3616 N  N    . MET A 1 262 ? -35.798 41.313 2.557   1.00 7.70   ?  262  MET A N    1 
ATOM   3617 C  CA   . MET A 1 262 ? -35.003 40.968 1.376   1.00 7.75   ?  262  MET A CA   1 
ATOM   3618 C  C    . MET A 1 262 ? -35.473 39.702 0.671   1.00 7.59   ?  262  MET A C    1 
ATOM   3619 O  O    . MET A 1 262 ? -34.836 39.282 -0.297  1.00 8.57   ?  262  MET A O    1 
ATOM   3620 C  CB   . MET A 1 262 ? -33.534 40.763 1.719   1.00 7.81   ?  262  MET A CB   1 
ATOM   3621 C  CG   . MET A 1 262 ? -33.216 39.568 2.586   1.00 7.34   ?  262  MET A CG   1 
ATOM   3622 S  SD   . MET A 1 262 ? -33.643 39.664 4.334   1.00 7.71   ?  262  MET A SD   1 
ATOM   3623 C  CE   . MET A 1 262 ? -32.665 41.068 4.847   1.00 9.03   ?  262  MET A CE   1 
ATOM   3624 H  H    . MET A 1 262 ? -35.815 40.737 3.266   1.00 7.68   ?  262  MET A H    1 
ATOM   3625 H  HA   . MET A 1 262 ? -35.074 41.712 0.736   1.00 7.72   ?  262  MET A HA   1 
ATOM   3626 H  HB2  . MET A 1 262 ? -33.037 40.679 0.883   1.00 7.70   ?  262  MET A HB2  1 
ATOM   3627 H  HB3  . MET A 1 262 ? -33.210 41.569 2.167   1.00 7.71   ?  262  MET A HB3  1 
ATOM   3628 H  HG2  . MET A 1 262 ? -33.669 38.783 2.210   1.00 7.44   ?  262  MET A HG2  1 
ATOM   3629 H  HG3  . MET A 1 262 ? -32.252 39.397 2.524   1.00 7.45   ?  262  MET A HG3  1 
ATOM   3630 H  HE1  . MET A 1 262 ? -31.744 40.927 4.596   1.00 8.62   ?  262  MET A HE1  1 
ATOM   3631 H  HE2  . MET A 1 262 ? -32.998 41.866 4.418   1.00 8.60   ?  262  MET A HE2  1 
ATOM   3632 H  HE3  . MET A 1 262 ? -32.727 41.169 5.805   1.00 8.74   ?  262  MET A HE3  1 
ATOM   3633 N  N    . PHE A 1 263 ? -36.660 39.198 1.030   1.00 7.80   ?  263  PHE A N    1 
ATOM   3634 C  CA   . PHE A 1 263 ? -37.180 37.983 0.399   1.00 8.26   ?  263  PHE A CA   1 
ATOM   3635 C  C    . PHE A 1 263 ? -38.469 38.264 -0.371  1.00 9.78   ?  263  PHE A C    1 
ATOM   3636 O  O    . PHE A 1 263 ? -39.153 37.334 -0.781  1.00 12.67  ?  263  PHE A O    1 
ATOM   3637 C  CB   . PHE A 1 263 ? -37.403 36.887 1.435   1.00 8.80   ?  263  PHE A CB   1 
ATOM   3638 C  CG   . PHE A 1 263 ? -36.170 36.541 2.220   1.00 8.22   ?  263  PHE A CG   1 
ATOM   3639 C  CD1  . PHE A 1 263 ? -35.088 35.979 1.578   1.00 9.58   ?  263  PHE A CD1  1 
ATOM   3640 C  CD2  . PHE A 1 263 ? -36.064 36.795 3.578   1.00 9.08   ?  263  PHE A CD2  1 
ATOM   3641 C  CE1  . PHE A 1 263 ? -33.938 35.639 2.267   1.00 9.47   ?  263  PHE A CE1  1 
ATOM   3642 C  CE2  . PHE A 1 263 ? -34.911 36.491 4.272   1.00 9.02   ?  263  PHE A CE2  1 
ATOM   3643 C  CZ   . PHE A 1 263 ? -33.860 35.878 3.624   1.00 9.47   ?  263  PHE A CZ   1 
ATOM   3644 H  H    . PHE A 1 263 ? -37.157 39.609 1.677   1.00 7.77   ?  263  PHE A H    1 
ATOM   3645 H  HA   . PHE A 1 263 ? -36.508 37.656 -0.249  1.00 8.40   ?  263  PHE A HA   1 
ATOM   3646 H  HB2  . PHE A 1 263 ? -38.104 37.180 2.054   1.00 8.62   ?  263  PHE A HB2  1 
ATOM   3647 H  HB3  . PHE A 1 263 ? -37.723 36.083 0.976   1.00 8.59   ?  263  PHE A HB3  1 
ATOM   3648 H  HD1  . PHE A 1 263 ? -35.149 35.789 0.658   1.00 9.11   ?  263  PHE A HD1  1 
ATOM   3649 H  HD2  . PHE A 1 263 ? -36.788 37.196 4.032   1.00 8.90   ?  263  PHE A HD2  1 
ATOM   3650 H  HE1  . PHE A 1 263 ? -33.214 35.239 1.814   1.00 9.37   ?  263  PHE A HE1  1 
ATOM   3651 H  HE2  . PHE A 1 263 ? -34.863 36.653 5.201   1.00 9.04   ?  263  PHE A HE2  1 
ATOM   3652 H  HZ   . PHE A 1 263 ? -33.068 35.672 4.096   1.00 9.33   ?  263  PHE A HZ   1 
ATOM   3653 N  N    . ASP A 1 264 ? -38.784 39.536 -0.582  1.00 10.06  ?  264  ASP A N    1 
ATOM   3654 C  CA   . ASP A 1 264 ? -39.988 40.007 -1.236  1.00 10.70  ?  264  ASP A CA   1 
ATOM   3655 C  C    . ASP A 1 264 ? -39.588 41.140 -2.176  1.00 11.66  ?  264  ASP A C    1 
ATOM   3656 O  O    . ASP A 1 264 ? -38.856 42.036 -1.758  1.00 11.06  ?  264  ASP A O    1 
ATOM   3657 C  CB   . ASP A 1 264 ? -40.965 40.540 -0.186  1.00 11.43  ?  264  ASP A CB   1 
ATOM   3658 C  CG   . ASP A 1 264 ? -42.191 41.181 -0.806  1.00 13.39  ?  264  ASP A CG   1 
ATOM   3659 O  OD1  . ASP A 1 264 ? -43.095 40.393 -1.186  1.00 17.80  ?  264  ASP A OD1  1 
ATOM   3660 O  OD2  . ASP A 1 264 ? -42.243 42.438 -0.946  1.00 15.32  -1 264  ASP A OD2  1 
ATOM   3661 H  H    . ASP A 1 264 ? -38.190 40.169 -0.297  1.00 10.00  ?  264  ASP A H    1 
ATOM   3662 H  HA   . ASP A 1 264 ? -40.402 39.273 -1.748  1.00 10.86  ?  264  ASP A HA   1 
ATOM   3663 H  HB2  . ASP A 1 264 ? -41.255 39.804 0.390   1.00 11.55  ?  264  ASP A HB2  1 
ATOM   3664 H  HB3  . ASP A 1 264 ? -40.511 41.206 0.370   1.00 11.60  ?  264  ASP A HB3  1 
ATOM   3665 N  N    . ASN A 1 265 ? -40.072 41.132 -3.427  1.00 11.12  ?  265  ASN A N    1 
ATOM   3666 C  CA   . ASN A 1 265 ? -39.648 42.128 -4.403  1.00 11.03  ?  265  ASN A CA   1 
ATOM   3667 C  C    . ASN A 1 265 ? -40.042 43.548 -4.027  1.00 11.03  ?  265  ASN A C    1 
ATOM   3668 O  O    . ASN A 1 265 ? -39.282 44.507 -4.255  1.00 13.60  ?  265  ASN A O    1 
ATOM   3669 C  CB   . ASN A 1 265 ? -40.135 41.792 -5.808  1.00 12.02  ?  265  ASN A CB   1 
ATOM   3670 C  CG   . ASN A 1 265 ? -39.398 40.606 -6.374  1.00 14.34  ?  265  ASN A CG   1 
ATOM   3671 O  OD1  . ASN A 1 265 ? -38.466 40.065 -5.784  1.00 16.80  ?  265  ASN A OD1  1 
ATOM   3672 N  ND2  . ASN A 1 265 ? -39.780 40.216 -7.539  1.00 15.83  ?  265  ASN A ND2  1 
ATOM   3673 H  H    . ASN A 1 265 ? -40.679 40.495 -3.675  1.00 11.20  ?  265  ASN A H    1 
ATOM   3674 H  HA   . ASN A 1 265 ? -38.663 42.100 -4.433  1.00 11.22  ?  265  ASN A HA   1 
ATOM   3675 H  HB2  . ASN A 1 265 ? -41.093 41.594 -5.778  1.00 12.19  ?  265  ASN A HB2  1 
ATOM   3676 H  HB3  . ASN A 1 265 ? -39.998 42.567 -6.391  1.00 12.16  ?  265  ASN A HB3  1 
ATOM   3677 H  HD21 . ASN A 1 265 ? -40.433 40.641 -7.957  1.00 15.41  ?  265  ASN A HD21 1 
ATOM   3678 H  HD22 . ASN A 1 265 ? -39.389 39.522 -7.923  1.00 15.49  ?  265  ASN A HD22 1 
ATOM   3679 N  N    . GLY A 1 266 ? -41.213 43.699 -3.435  1.00 11.67  ?  266  GLY A N    1 
ATOM   3680 C  CA   . GLY A 1 266 ? -41.686 45.021 -3.042  1.00 11.65  ?  266  GLY A CA   1 
ATOM   3681 C  C    . GLY A 1 266 ? -40.845 45.615 -1.919  1.00 11.64  ?  266  GLY A C    1 
ATOM   3682 O  O    . GLY A 1 266 ? -40.407 46.753 -1.987  1.00 12.39  ?  266  GLY A O    1 
ATOM   3683 H  H    . GLY A 1 266 ? -41.741 42.971 -3.271  1.00 11.48  ?  266  GLY A H    1 
ATOM   3684 H  HA2  . GLY A 1 266 ? -41.655 45.622 -3.828  1.00 11.62  ?  266  GLY A HA2  1 
ATOM   3685 H  HA3  . GLY A 1 266 ? -42.627 44.951 -2.744  1.00 11.70  ?  266  GLY A HA3  1 
ATOM   3686 N  N    . LEU A 1 267 ? -40.508 44.805 -0.930  1.00 10.28  ?  267  LEU A N    1 
ATOM   3687 C  CA   . LEU A 1 267 ? -39.698 45.303 0.177   1.00 10.30  ?  267  LEU A CA   1 
ATOM   3688 C  C    . LEU A 1 267 ? -38.261 45.557 -0.259  1.00 9.41   ?  267  LEU A C    1 
ATOM   3689 O  O    . LEU A 1 267 ? -37.656 46.531 0.148   1.00 9.75   ?  267  LEU A O    1 
ATOM   3690 C  CB   . LEU A 1 267 ? -39.771 44.340 1.358   1.00 10.12  ?  267  LEU A CB   1 
ATOM   3691 C  CG   . LEU A 1 267 ? -41.131 44.244 2.063   1.00 11.26  ?  267  LEU A CG   1 
ATOM   3692 C  CD1  . LEU A 1 267 ? -41.168 43.119 3.055   1.00 10.89  ?  267  LEU A CD1  1 
ATOM   3693 C  CD2  . LEU A 1 267 ? -41.462 45.545 2.758   1.00 13.84  ?  267  LEU A CD2  1 
ATOM   3694 H  H    . LEU A 1 267 ? -40.784 43.933 -0.930  1.00 10.57  ?  267  LEU A H    1 
ATOM   3695 H  HA   . LEU A 1 267 ? -40.080 46.166 0.457   1.00 10.13  ?  267  LEU A HA   1 
ATOM   3696 H  HB2  . LEU A 1 267 ? -39.525 43.448 1.040   1.00 10.35  ?  267  LEU A HB2  1 
ATOM   3697 H  HB3  . LEU A 1 267 ? -39.101 44.611 2.016   1.00 10.29  ?  267  LEU A HB3  1 
ATOM   3698 H  HG   . LEU A 1 267 ? -41.824 44.075 1.378   1.00 11.20  ?  267  LEU A HG   1 
ATOM   3699 H  HD11 . LEU A 1 267 ? -42.087 42.959 3.331   1.00 10.94  ?  267  LEU A HD11 1 
ATOM   3700 H  HD12 . LEU A 1 267 ? -40.633 43.353 3.833   1.00 11.00  ?  267  LEU A HD12 1 
ATOM   3701 H  HD13 . LEU A 1 267 ? -40.809 42.312 2.646   1.00 10.98  ?  267  LEU A HD13 1 
ATOM   3702 H  HD21 . LEU A 1 267 ? -41.615 46.239 2.094   1.00 13.20  ?  267  LEU A HD21 1 
ATOM   3703 H  HD22 . LEU A 1 267 ? -40.721 45.804 3.333   1.00 13.22  ?  267  LEU A HD22 1 
ATOM   3704 H  HD23 . LEU A 1 267 ? -42.265 45.430 3.296   1.00 13.12  ?  267  LEU A HD23 1 
ATOM   3705 N  N    . ILE A 1 268 ? -37.673 44.678 -1.063  1.00 9.24   ?  268  ILE A N    1 
ATOM   3706 C  CA   . ILE A 1 268 ? -36.258 44.795 -1.317  1.00 9.17   ?  268  ILE A CA   1 
ATOM   3707 C  C    . ILE A 1 268 ? -35.976 46.008 -2.204  1.00 9.64   ?  268  ILE A C    1 
ATOM   3708 O  O    . ILE A 1 268 ? -34.859 46.525 -2.170  1.00 9.85   ?  268  ILE A O    1 
ATOM   3709 C  CB   . ILE A 1 268 ? -35.695 43.487 -1.911  1.00 9.04   ?  268  ILE A CB   1 
ATOM   3710 C  CG1  . ILE A 1 268 ? -34.186 43.424 -1.675  1.00 9.92   ?  268  ILE A CG1  1 
ATOM   3711 C  CG2  . ILE A 1 268 ? -36.024 43.323 -3.377  1.00 9.68   ?  268  ILE A CG2  1 
ATOM   3712 C  CD1  . ILE A 1 268 ? -33.499 42.162 -2.145  1.00 9.81   ?  268  ILE A CD1  1 
ATOM   3713 H  H    . ILE A 1 268 ? -38.151 44.004 -1.453  1.00 9.22   ?  268  ILE A H    1 
ATOM   3714 H  HA   . ILE A 1 268 ? -35.814 44.943 -0.462  1.00 9.14   ?  268  ILE A HA   1 
ATOM   3715 H  HB   . ILE A 1 268 ? -36.107 42.733 -1.421  1.00 9.30   ?  268  ILE A HB   1 
ATOM   3716 H  HG12 . ILE A 1 268 ? -33.770 44.187 -2.130  1.00 9.75   ?  268  ILE A HG12 1 
ATOM   3717 H  HG13 . ILE A 1 268 ? -34.019 43.527 -0.714  1.00 9.87   ?  268  ILE A HG13 1 
ATOM   3718 H  HG21 . ILE A 1 268 ? -35.464 43.916 -3.908  1.00 9.54   ?  268  ILE A HG21 1 
ATOM   3719 H  HG22 . ILE A 1 268 ? -36.960 43.542 -3.528  1.00 9.58   ?  268  ILE A HG22 1 
ATOM   3720 H  HG23 . ILE A 1 268 ? -35.862 42.401 -3.647  1.00 9.54   ?  268  ILE A HG23 1 
ATOM   3721 H  HD11 . ILE A 1 268 ? -33.545 42.106 -3.115  1.00 9.68   ?  268  ILE A HD11 1 
ATOM   3722 H  HD12 . ILE A 1 268 ? -33.938 41.387 -1.754  1.00 9.78   ?  268  ILE A HD12 1 
ATOM   3723 H  HD13 . ILE A 1 268 ? -32.566 42.178 -1.867  1.00 9.84   ?  268  ILE A HD13 1 
ATOM   3724 N  N    . ALA A 1 269 ? -36.981 46.487 -2.955  1.00 10.48  ?  269  ALA A N    1 
ATOM   3725 C  CA   . ALA A 1 269 ? -36.808 47.650 -3.824  1.00 11.18  ?  269  ALA A CA   1 
ATOM   3726 C  C    . ALA A 1 269 ? -36.833 48.961 -3.047  1.00 12.04  ?  269  ALA A C    1 
ATOM   3727 O  O    . ALA A 1 269 ? -36.621 50.025 -3.633  1.00 15.02  ?  269  ALA A O    1 
ATOM   3728 C  CB   . ALA A 1 269 ? -37.925 47.681 -4.833  1.00 12.10  ?  269  ALA A CB   1 
ATOM   3729 H  H    . ALA A 1 269 ? -37.795 46.071 -2.937  1.00 10.39  ?  269  ALA A H    1 
ATOM   3730 H  HA   . ALA A 1 269 ? -35.947 47.574 -4.296  1.00 11.26  ?  269  ALA A HA   1 
ATOM   3731 H  HB1  . ALA A 1 269 ? -37.804 48.438 -5.431  1.00 11.97  ?  269  ALA A HB1  1 
ATOM   3732 H  HB2  . ALA A 1 269 ? -37.920 46.858 -5.349  1.00 11.83  ?  269  ALA A HB2  1 
ATOM   3733 H  HB3  . ALA A 1 269 ? -38.777 47.766 -4.372  1.00 11.99  ?  269  ALA A HB3  1 
ATOM   3734 N  N    . MET A 1 270 ? -37.118 48.925 -1.755  1.00 10.64  ?  270  MET A N    1 
ATOM   3735 C  CA   . MET A 1 270 ? -37.396 50.150 -1.033  1.00 10.93  ?  270  MET A CA   1 
ATOM   3736 C  C    . MET A 1 270 ? -36.122 50.898 -0.703  1.00 10.33  ?  270  MET A C    1 
ATOM   3737 O  O    . MET A 1 270 ? -35.083 50.284 -0.414  1.00 11.06  ?  270  MET A O    1 
ATOM   3738 C  CB   . MET A 1 270 ? -38.135 49.806 0.256   1.00 10.72  ?  270  MET A CB   1 
ATOM   3739 C  CG   . MET A 1 270 ? -39.597 49.454 0.005   1.00 11.61  ?  270  MET A CG   1 
ATOM   3740 S  SD   . MET A 1 270 ? -40.456 49.088 1.504   1.00 12.37  ?  270  MET A SD   1 
ATOM   3741 C  CE   . MET A 1 270 ? -42.079 48.773 0.813   1.00 14.27  ?  270  MET A CE   1 
ATOM   3742 H  H    . MET A 1 270 ? -37.143 48.129 -1.308  1.00 10.82  ?  270  MET A H    1 
ATOM   3743 H  HA   . MET A 1 270 ? -37.967 50.722 -1.596  1.00 10.77  ?  270  MET A HA   1 
ATOM   3744 H  HB2  . MET A 1 270 ? -37.689 49.051 0.687   1.00 10.90  ?  270  MET A HB2  1 
ATOM   3745 H  HB3  . MET A 1 270 ? -38.087 50.570 0.863   1.00 10.92  ?  270  MET A HB3  1 
ATOM   3746 H  HG2  . MET A 1 270 ? -40.040 50.207 -0.442  1.00 11.50  ?  270  MET A HG2  1 
ATOM   3747 H  HG3  . MET A 1 270 ? -39.646 48.676 -0.589  1.00 11.55  ?  270  MET A HG3  1 
ATOM   3748 H  HE1  . MET A 1 270 ? -42.388 49.560 0.348   1.00 13.87  ?  270  MET A HE1  1 
ATOM   3749 H  HE2  . MET A 1 270 ? -42.027 48.034 0.195   1.00 13.90  ?  270  MET A HE2  1 
ATOM   3750 H  HE3  . MET A 1 270 ? -42.694 48.557 1.524   1.00 13.92  ?  270  MET A HE3  1 
ATOM   3751 N  N    . ASP A 1 271 ? -36.249 52.225 -0.636  1.00 10.69  ?  271  ASP A N    1 
ATOM   3752 C  CA   . ASP A 1 271 ? -35.223 53.035 0.007   1.00 10.94  ?  271  ASP A CA   1 
ATOM   3753 C  C    . ASP A 1 271 ? -35.399 53.008 1.520   1.00 10.60  ?  271  ASP A C    1 
ATOM   3754 O  O    . ASP A 1 271 ? -36.338 52.407 2.047   1.00 10.26  ?  271  ASP A O    1 
ATOM   3755 C  CB   . ASP A 1 271 ? -35.273 54.438 -0.586  1.00 11.63  ?  271  ASP A CB   1 
ATOM   3756 C  CG   . ASP A 1 271 ? -36.508 55.269 -0.329  1.00 13.68  ?  271  ASP A CG   1 
ATOM   3757 O  OD1  . ASP A 1 271 ? -37.292 54.898 0.506   1.00 14.96  ?  271  ASP A OD1  1 
ATOM   3758 O  OD2  . ASP A 1 271 ? -36.657 56.307 -1.009  1.00 18.78  -1 271  ASP A OD2  1 
ATOM   3759 H  H    . ASP A 1 271 ? -36.984 52.634 -0.995  1.00 10.65  ?  271  ASP A H    1 
ATOM   3760 H  HA   . ASP A 1 271 ? -34.343 52.647 -0.209  1.00 10.93  ?  271  ASP A HA   1 
ATOM   3761 H  HB2  . ASP A 1 271 ? -34.506 54.941 -0.246  1.00 11.73  ?  271  ASP A HB2  1 
ATOM   3762 H  HB3  . ASP A 1 271 ? -35.171 54.359 -1.556  1.00 11.63  ?  271  ASP A HB3  1 
ATOM   3763 N  N    . ILE A 1 272 ? -34.479 53.664 2.227   1.00 11.72  ?  272  ILE A N    1 
ATOM   3764 C  CA   . ILE A 1 272 ? -34.446 53.598 3.680   1.00 12.03  ?  272  ILE A CA   1 
ATOM   3765 C  C    . ILE A 1 272 ? -35.754 54.107 4.286   1.00 11.52  ?  272  ILE A C    1 
ATOM   3766 O  O    . ILE A 1 272 ? -36.331 53.475 5.187   1.00 11.12  ?  272  ILE A O    1 
ATOM   3767 C  CB   . ILE A 1 272 ? -33.218 54.326 4.275   1.00 13.74  ?  272  ILE A CB   1 
ATOM   3768 C  CG1  . ILE A 1 272 ? -33.192 54.221 5.802   1.00 14.54  ?  272  ILE A CG1  1 
ATOM   3769 C  CG2  . ILE A 1 272 ? -33.155 55.794 3.828   1.00 13.63  ?  272  ILE A CG2  1 
ATOM   3770 C  CD1  . ILE A 1 272 ? -33.287 52.795 6.338   1.00 15.86  ?  272  ILE A CD1  1 
ATOM   3771 H  H    . ILE A 1 272 ? -33.840 54.149 1.791   1.00 11.45  ?  272  ILE A H    1 
ATOM   3772 H  HA   . ILE A 1 272 ? -34.365 52.657 3.918   1.00 12.10  ?  272  ILE A HA   1 
ATOM   3773 H  HB   . ILE A 1 272 ? -32.408 53.873 3.932   1.00 13.48  ?  272  ILE A HB   1 
ATOM   3774 H  HG12 . ILE A 1 272 ? -32.358 54.621 6.128   1.00 14.57  ?  272  ILE A HG12 1 
ATOM   3775 H  HG13 . ILE A 1 272 ? -33.937 54.744 6.168   1.00 14.62  ?  272  ILE A HG13 1 
ATOM   3776 H  HG21 . ILE A 1 272 ? -33.886 56.292 4.234   1.00 13.66  ?  272  ILE A HG21 1 
ATOM   3777 H  HG22 . ILE A 1 272 ? -33.225 55.848 2.860   1.00 13.75  ?  272  ILE A HG22 1 
ATOM   3778 H  HG23 . ILE A 1 272 ? -32.308 56.182 4.109   1.00 13.65  ?  272  ILE A HG23 1 
ATOM   3779 H  HD11 . ILE A 1 272 ? -32.642 52.230 5.877   1.00 15.53  ?  272  ILE A HD11 1 
ATOM   3780 H  HD12 . ILE A 1 272 ? -34.184 52.448 6.193   1.00 15.48  ?  272  ILE A HD12 1 
ATOM   3781 H  HD13 . ILE A 1 272 ? -33.092 52.793 7.292   1.00 15.58  ?  272  ILE A HD13 1 
ATOM   3782 N  N    . ASP A 1 273 ? -36.254 55.241 3.805   1.00 11.98  ?  273  ASP A N    1 
ATOM   3783 C  CA   . ASP A 1 273 ? -37.485 55.789 4.331   1.00 12.53  ?  273  ASP A CA   1 
ATOM   3784 C  C    . ASP A 1 273 ? -38.650 54.832 4.140   1.00 10.83  ?  273  ASP A C    1 
ATOM   3785 O  O    . ASP A 1 273 ? -39.473 54.659 5.047   1.00 11.80  ?  273  ASP A O    1 
ATOM   3786 C  CB   . ASP A 1 273 ? -37.800 57.153 3.722   1.00 15.09  ?  273  ASP A CB   1 
ATOM   3787 C  CG   . ASP A 1 273 ? -36.859 58.261 4.154   1.00 18.98  ?  273  ASP A CG   1 
ATOM   3788 O  OD1  . ASP A 1 273 ? -36.317 58.173 5.209   1.00 22.95  ?  273  ASP A OD1  1 
ATOM   3789 O  OD2  . ASP A 1 273 ? -36.785 59.259 3.437   1.00 27.91  -1 273  ASP A OD2  1 
ATOM   3790 H  H    . ASP A 1 273 ? -35.826 55.679 3.127   1.00 11.97  ?  273  ASP A H    1 
ATOM   3791 H  HA   . ASP A 1 273 ? -37.361 55.920 5.300   1.00 12.41  ?  273  ASP A HA   1 
ATOM   3792 H  HB2  . ASP A 1 273 ? -37.760 57.081 2.746   1.00 15.13  ?  273  ASP A HB2  1 
ATOM   3793 H  HB3  . ASP A 1 273 ? -38.710 57.411 3.972   1.00 14.95  ?  273  ASP A HB3  1 
ATOM   3794 N  N    . SER A 1 274 ? -38.735 54.216 2.957   1.00 11.03  ?  274  SER A N    1 
ATOM   3795 C  CA   . SER A 1 274 ? -39.808 53.277 2.684   1.00 10.42  ?  274  SER A CA   1 
ATOM   3796 C  C    . SER A 1 274 ? -39.666 52.020 3.557   1.00 9.03   ?  274  SER A C    1 
ATOM   3797 O  O    . SER A 1 274 ? -40.655 51.466 4.053   1.00 10.39  ?  274  SER A O    1 
ATOM   3798 C  CB   . SER A 1 274 ? -39.916 52.959 1.247   1.00 11.94  ?  274  SER A CB   1 
ATOM   3799 O  OG   . SER A 1 274 ? -40.277 54.113 0.523   1.00 15.27  ?  274  SER A OG   1 
ATOM   3800 H  H    . SER A 1 274 ? -38.116 54.386 2.307   1.00 10.97  ?  274  SER A H    1 
ATOM   3801 H  HA   . SER A 1 274 ? -40.658 53.722 2.950   1.00 10.45  ?  274  SER A HA   1 
ATOM   3802 H  HB2  . SER A 1 274 ? -39.053 52.621 0.920   1.00 11.94  ?  274  SER A HB2  1 
ATOM   3803 H  HB3  . SER A 1 274 ? -40.594 52.258 1.114   1.00 11.99  ?  274  SER A HB3  1 
ATOM   3804 H  HG   . SER A 1 274 ? -39.579 54.522 0.290   0.00 16.12  ?  274  SER A HG   1 
ATOM   3805 N  N    . HIS A 1 275 ? -38.439 51.528 3.711   1.00 8.93   ?  275  HIS A N    1 
ATOM   3806 C  CA   . HIS A 1 275 ? -38.211 50.408 4.621   1.00 8.63   ?  275  HIS A CA   1 
ATOM   3807 C  C    . HIS A 1 275 ? -38.750 50.707 6.015   1.00 8.74   ?  275  HIS A C    1 
ATOM   3808 O  O    . HIS A 1 275 ? -39.410 49.871 6.633   1.00 10.13  ?  275  HIS A O    1 
ATOM   3809 C  CB   . HIS A 1 275 ? -36.732 50.052 4.754   1.00 8.32   ?  275  HIS A CB   1 
ATOM   3810 C  CG   . HIS A 1 275 ? -36.179 49.254 3.627   1.00 8.54   ?  275  HIS A CG   1 
ATOM   3811 N  ND1  . HIS A 1 275 ? -36.582 47.954 3.392   1.00 9.40   ?  275  HIS A ND1  1 
ATOM   3812 C  CD2  . HIS A 1 275 ? -35.249 49.513 2.704   1.00 9.44   ?  275  HIS A CD2  1 
ATOM   3813 C  CE1  . HIS A 1 275 ? -35.921 47.455 2.352   1.00 8.87   ?  275  HIS A CE1  1 
ATOM   3814 N  NE2  . HIS A 1 275 ? -35.097 48.388 1.918   1.00 9.46   ?  275  HIS A NE2  1 
ATOM   3815 H  H    . HIS A 1 275 ? -37.736 51.880 3.246   1.00 8.89   ?  275  HIS A H    1 
ATOM   3816 H  HA   . HIS A 1 275 ? -38.695 49.623 4.263   1.00 8.65   ?  275  HIS A HA   1 
ATOM   3817 H  HB2  . HIS A 1 275 ? -36.217 50.883 4.834   1.00 8.44   ?  275  HIS A HB2  1 
ATOM   3818 H  HB3  . HIS A 1 275 ? -36.604 49.548 5.588   1.00 8.51   ?  275  HIS A HB3  1 
ATOM   3819 H  HD1  . HIS A 1 275 ? -37.174 47.509 3.869   0.00 9.71   ?  275  HIS A HD1  1 
ATOM   3820 H  HD2  . HIS A 1 275 ? -34.774 50.314 2.603   1.00 9.28   ?  275  HIS A HD2  1 
ATOM   3821 H  HE1  . HIS A 1 275 ? -36.021 46.592 1.992   1.00 9.12   ?  275  HIS A HE1  1 
ATOM   3822 H  HE2  . HIS A 1 275 ? -34.547 48.309 1.233   0.00 10.02  ?  275  HIS A HE2  1 
ATOM   3823 N  N    . ILE A 1 276 ? -38.470 51.911 6.535   1.00 10.02  ?  276  ILE A N    1 
ATOM   3824 C  CA   . ILE A 1 276 ? -38.896 52.274 7.871   1.00 11.00  ?  276  ILE A CA   1 
ATOM   3825 C  C    . ILE A 1 276 ? -40.417 52.343 7.899   1.00 10.39  ?  276  ILE A C    1 
ATOM   3826 O  O    . ILE A 1 276 ? -41.053 51.803 8.793   1.00 10.82  ?  276  ILE A O    1 
ATOM   3827 C  CB   . ILE A 1 276 ? -38.211 53.581 8.300   1.00 11.61  ?  276  ILE A CB   1 
ATOM   3828 C  CG1  . ILE A 1 276 ? -36.709 53.339 8.525   1.00 13.25  ?  276  ILE A CG1  1 
ATOM   3829 C  CG2  . ILE A 1 276 ? -38.901 54.215 9.504   1.00 12.36  ?  276  ILE A CG2  1 
ATOM   3830 C  CD1  . ILE A 1 276 ? -35.930 54.605 8.793   1.00 14.76  ?  276  ILE A CD1  1 
ATOM   3831 H  H    . ILE A 1 276 ? -37.996 52.517 6.040   1.00 9.83   ?  276  ILE A H    1 
ATOM   3832 H  HA   . ILE A 1 276 ? -38.611 51.571 8.482   1.00 10.79  ?  276  ILE A HA   1 
ATOM   3833 H  HB   . ILE A 1 276 ? -38.294 54.215 7.546   1.00 11.70  ?  276  ILE A HB   1 
ATOM   3834 H  HG12 . ILE A 1 276 ? -36.598 52.732 9.288   1.00 13.20  ?  276  ILE A HG12 1 
ATOM   3835 H  HG13 . ILE A 1 276 ? -36.335 52.899 7.732   1.00 13.07  ?  276  ILE A HG13 1 
ATOM   3836 H  HG21 . ILE A 1 276 ? -38.937 53.573 10.234  1.00 12.30  ?  276  ILE A HG21 1 
ATOM   3837 H  HG22 . ILE A 1 276 ? -39.805 54.479 9.262   1.00 12.22  ?  276  ILE A HG22 1 
ATOM   3838 H  HG23 . ILE A 1 276 ? -38.405 55.001 9.790   1.00 12.16  ?  276  ILE A HG23 1 
ATOM   3839 H  HD11 . ILE A 1 276 ? -36.153 54.946 9.677   1.00 14.41  ?  276  ILE A HD11 1 
ATOM   3840 H  HD12 . ILE A 1 276 ? -36.154 55.274 8.122   1.00 14.42  ?  276  ILE A HD12 1 
ATOM   3841 H  HD13 . ILE A 1 276 ? -34.976 54.414 8.753   1.00 14.37  ?  276  ILE A HD13 1 
ATOM   3842 N  N    . ASP A 1 277 ? -41.036 52.990 6.910   1.00 10.98  ?  277  ASP A N    1 
ATOM   3843 C  CA   . ASP A 1 277 ? -42.491 53.027 6.880   1.00 11.93  ?  277  ASP A CA   1 
ATOM   3844 C  C    . ASP A 1 277 ? -43.093 51.615 6.879   1.00 10.65  ?  277  ASP A C    1 
ATOM   3845 O  O    . ASP A 1 277 ? -44.095 51.364 7.517   1.00 10.57  ?  277  ASP A O    1 
ATOM   3846 C  CB   . ASP A 1 277 ? -43.003 53.766 5.652   1.00 14.25  ?  277  ASP A CB   1 
ATOM   3847 C  CG   . ASP A 1 277 ? -42.766 55.252 5.634   1.00 18.55  ?  277  ASP A CG   1 
ATOM   3848 O  OD1  . ASP A 1 277 ? -42.525 55.834 6.720   1.00 22.03  ?  277  ASP A OD1  1 
ATOM   3849 O  OD2  . ASP A 1 277 ? -42.825 55.816 4.494   1.00 23.61  -1 277  ASP A OD2  1 
ATOM   3850 H  H    . ASP A 1 277 ? -40.558 53.413 6.255   1.00 10.90  ?  277  ASP A H    1 
ATOM   3851 H  HA   . ASP A 1 277 ? -42.806 53.501 7.685   1.00 11.82  ?  277  ASP A HA   1 
ATOM   3852 H  HB2  . ASP A 1 277 ? -42.576 53.384 4.858   1.00 14.18  ?  277  ASP A HB2  1 
ATOM   3853 H  HB3  . ASP A 1 277 ? -43.968 53.617 5.576   1.00 14.20  ?  277  ASP A HB3  1 
ATOM   3854 N  N    . ALA A 1 278 ? -42.483 50.673 6.153   1.00 10.16  ?  278  ALA A N    1 
ATOM   3855 C  CA   . ALA A 1 278 ? -43.034 49.328 6.066   1.00 10.17  ?  278  ALA A CA   1 
ATOM   3856 C  C    . ALA A 1 278 ? -42.909 48.590 7.397   1.00 9.33   ?  278  ALA A C    1 
ATOM   3857 O  O    . ALA A 1 278 ? -43.796 47.833 7.756   1.00 9.66   ?  278  ALA A O    1 
ATOM   3858 C  CB   . ALA A 1 278 ? -42.310 48.550 4.989   1.00 10.03  ?  278  ALA A CB   1 
ATOM   3859 H  H    . ALA A 1 278 ? -41.713 50.870 5.701   1.00 10.26  ?  278  ALA A H    1 
ATOM   3860 H  HA   . ALA A 1 278 ? -43.989 49.392 5.827   1.00 10.07  ?  278  ALA A HA   1 
ATOM   3861 H  HB1  . ALA A 1 278 ? -42.678 47.652 4.933   1.00 10.06  ?  278  ALA A HB1  1 
ATOM   3862 H  HB2  . ALA A 1 278 ? -42.421 48.998 4.133   1.00 10.04  ?  278  ALA A HB2  1 
ATOM   3863 H  HB3  . ALA A 1 278 ? -41.364 48.498 5.206   1.00 10.01  ?  278  ALA A HB3  1 
ATOM   3864 N  N    . VAL A 1 279 ? -41.841 48.846 8.143   1.00 8.81   ?  279  VAL A N    1 
ATOM   3865 C  CA   . VAL A 1 279 ? -41.723 48.349 9.500   1.00 9.10   ?  279  VAL A CA   1 
ATOM   3866 C  C    . VAL A 1 279 ? -42.857 48.857 10.387  1.00 9.43   ?  279  VAL A C    1 
ATOM   3867 O  O    . VAL A 1 279 ? -43.491 48.108 11.117  1.00 10.02  ?  279  VAL A O    1 
ATOM   3868 C  CB   . VAL A 1 279 ? -40.349 48.682 10.096  1.00 9.76   ?  279  VAL A CB   1 
ATOM   3869 C  CG1  . VAL A 1 279 ? -40.323 48.488 11.596  1.00 10.88  ?  279  VAL A CG1  1 
ATOM   3870 C  CG2  . VAL A 1 279 ? -39.283 47.884 9.384   1.00 10.37  ?  279  VAL A CG2  1 
ATOM   3871 H  H    . VAL A 1 279 ? -41.158 49.345 7.795   1.00 8.89   ?  279  VAL A H    1 
ATOM   3872 H  HA   . VAL A 1 279 ? -41.797 47.378 9.461   1.00 9.22   ?  279  VAL A HA   1 
ATOM   3873 H  HB   . VAL A 1 279 ? -40.176 49.638 9.917   1.00 9.86   ?  279  VAL A HB   1 
ATOM   3874 H  HG11 . VAL A 1 279 ? -40.721 47.628 11.821  1.00 10.61  ?  279  VAL A HG11 1 
ATOM   3875 H  HG12 . VAL A 1 279 ? -40.825 49.202 12.027  1.00 10.60  ?  279  VAL A HG12 1 
ATOM   3876 H  HG13 . VAL A 1 279 ? -39.401 48.509 11.907  1.00 10.58  ?  279  VAL A HG13 1 
ATOM   3877 H  HG21 . VAL A 1 279 ? -38.409 48.120 9.739   1.00 10.21  ?  279  VAL A HG21 1 
ATOM   3878 H  HG22 . VAL A 1 279 ? -39.309 48.079 8.432   1.00 10.06  ?  279  VAL A HG22 1 
ATOM   3879 H  HG23 . VAL A 1 279 ? -39.442 46.934 9.523   1.00 10.21  ?  279  VAL A HG23 1 
ATOM   3880 N  N    . CYS A 1 280 ? -43.098 50.168 10.353  1.00 10.17  ?  280  CYS A N    1 
ATOM   3881 C  CA   . CYS A 1 280 ? -44.192 50.723 11.148  1.00 11.15  ?  280  CYS A CA   1 
ATOM   3882 C  C    . CYS A 1 280 ? -45.548 50.154 10.764  1.00 10.64  ?  280  CYS A C    1 
ATOM   3883 O  O    . CYS A 1 280 ? -46.337 49.860 11.652  1.00 10.78  ?  280  CYS A O    1 
ATOM   3884 C  CB   . CYS A 1 280 ? -44.256 52.228 11.015  1.00 13.05  ?  280  CYS A CB   1 
ATOM   3885 S  SG   . CYS A 1 280 ? -42.736 53.072 11.523  1.00 18.22  ?  280  CYS A SG   1 
ATOM   3886 H  H    . CYS A 1 280 ? -42.584 50.724 9.841   1.00 10.10  ?  280  CYS A H    1 
ATOM   3887 H  HA   . CYS A 1 280 ? -44.021 50.502 12.091  1.00 11.23  ?  280  CYS A HA   1 
ATOM   3888 H  HB2  . CYS A 1 280 ? -44.442 52.458 10.082  1.00 13.00  ?  280  CYS A HB2  1 
ATOM   3889 H  HB3  . CYS A 1 280 ? -44.995 52.566 11.561  1.00 13.00  ?  280  CYS A HB3  1 
ATOM   3890 N  N    . GLN A 1 281 ? -45.795 50.049 9.449   1.00 10.52  ?  281  GLN A N    1 
ATOM   3891 C  CA   . GLN A 1 281 ? -47.055 49.497 8.969   1.00 11.32  ?  281  GLN A CA   1 
ATOM   3892 C  C    . GLN A 1 281 ? -47.206 48.066 9.467   1.00 9.80   ?  281  GLN A C    1 
ATOM   3893 O  O    . GLN A 1 281 ? -48.280 47.654 9.833   1.00 11.20  ?  281  GLN A O    1 
ATOM   3894 C  CB   . GLN A 1 281 ? -47.151 49.586 7.454   1.00 13.90  ?  281  GLN A CB   1 
ATOM   3895 C  CG   . GLN A 1 281 ? -47.338 51.015 6.982   1.00 20.07  ?  281  GLN A CG   1 
ATOM   3896 C  CD   . GLN A 1 281 ? -47.387 51.117 5.485   1.00 29.13  ?  281  GLN A CD   1 
ATOM   3897 O  OE1  . GLN A 1 281 ? -47.753 50.158 4.801   1.00 41.30  ?  281  GLN A OE1  1 
ATOM   3898 N  NE2  . GLN A 1 281 ? -47.065 52.300 4.986   1.00 32.97  ?  281  GLN A NE2  1 
ATOM   3899 H  H    . GLN A 1 281 ? -45.172 50.330 8.842   1.00 10.60  ?  281  GLN A H    1 
ATOM   3900 H  HA   . GLN A 1 281 ? -47.785 50.034 9.355   1.00 10.97  ?  281  GLN A HA   1 
ATOM   3901 H  HB2  . GLN A 1 281 ? -46.332 49.217 7.062   1.00 13.84  ?  281  GLN A HB2  1 
ATOM   3902 H  HB3  . GLN A 1 281 ? -47.907 49.040 7.153   1.00 13.80  ?  281  GLN A HB3  1 
ATOM   3903 H  HG2  . GLN A 1 281 ? -48.173 51.371 7.355   1.00 18.95  ?  281  GLN A HG2  1 
ATOM   3904 H  HG3  . GLN A 1 281 ? -46.601 51.566 7.318   1.00 18.83  ?  281  GLN A HG3  1 
ATOM   3905 H  HE21 . GLN A 1 281 ? -47.052 53.014 5.509   1.00 31.72  ?  281  GLN A HE21 1 
ATOM   3906 H  HE22 . GLN A 1 281 ? -46.866 52.378 4.127   1.00 31.84  ?  281  GLN A HE22 1 
ATOM   3907 N  N    . PHE A 1 282 ? -46.126 47.279 9.411   1.00 9.37   ?  282  PHE A N    1 
ATOM   3908 C  CA   . PHE A 1 282 ? -46.173 45.894 9.879   1.00 8.48   ?  282  PHE A CA   1 
ATOM   3909 C  C    . PHE A 1 282 ? -46.573 45.860 11.359  1.00 8.12   ?  282  PHE A C    1 
ATOM   3910 O  O    . PHE A 1 282 ? -47.400 45.044 11.795  1.00 8.63   ?  282  PHE A O    1 
ATOM   3911 C  CB   . PHE A 1 282 ? -44.802 45.247 9.668   1.00 9.53   ?  282  PHE A CB   1 
ATOM   3912 C  CG   . PHE A 1 282 ? -44.711 43.856 10.202  1.00 9.20   ?  282  PHE A CG   1 
ATOM   3913 C  CD1  . PHE A 1 282 ? -45.388 42.823 9.581   1.00 10.88  ?  282  PHE A CD1  1 
ATOM   3914 C  CD2  . PHE A 1 282 ? -43.994 43.589 11.355  1.00 10.20  ?  282  PHE A CD2  1 
ATOM   3915 C  CE1  . PHE A 1 282 ? -45.318 41.544 10.093  1.00 12.63  ?  282  PHE A CE1  1 
ATOM   3916 C  CE2  . PHE A 1 282 ? -43.896 42.289 11.836  1.00 11.55  ?  282  PHE A CE2  1 
ATOM   3917 C  CZ   . PHE A 1 282 ? -44.576 41.275 11.201  1.00 12.40  ?  282  PHE A CZ   1 
ATOM   3918 H  H    . PHE A 1 282 ? -45.343 47.605 9.069   1.00 9.24   ?  282  PHE A H    1 
ATOM   3919 H  HA   . PHE A 1 282 ? -46.850 45.398 9.354   1.00 8.67   ?  282  PHE A HA   1 
ATOM   3920 H  HB2  . PHE A 1 282 ? -44.609 45.233 8.707   1.00 9.41   ?  282  PHE A HB2  1 
ATOM   3921 H  HB3  . PHE A 1 282 ? -44.123 45.803 10.103  1.00 9.24   ?  282  PHE A HB3  1 
ATOM   3922 H  HD1  . PHE A 1 282 ? -45.900 42.995 8.807   1.00 10.63  ?  282  PHE A HD1  1 
ATOM   3923 H  HD2  . PHE A 1 282 ? -43.518 44.284 11.781  1.00 10.17  ?  282  PHE A HD2  1 
ATOM   3924 H  HE1  . PHE A 1 282 ? -45.769 40.842 9.652   1.00 12.06  ?  282  PHE A HE1  1 
ATOM   3925 H  HE2  . PHE A 1 282 ? -43.398 42.110 12.617  1.00 11.19  ?  282  PHE A HE2  1 
ATOM   3926 H  HZ   . PHE A 1 282 ? -44.533 40.394 11.537  1.00 11.99  ?  282  PHE A HZ   1 
ATOM   3927 N  N    . ALA A 1 283 ? -45.967 46.726 12.175  1.00 8.95   ?  283  ALA A N    1 
ATOM   3928 C  CA   . ALA A 1 283 ? -46.277 46.754 13.593  1.00 8.95   ?  283  ALA A CA   1 
ATOM   3929 C  C    . ALA A 1 283 ? -47.745 47.113 13.817  1.00 9.27   ?  283  ALA A C    1 
ATOM   3930 O  O    . ALA A 1 283 ? -48.430 46.482 14.594  1.00 9.05   ?  283  ALA A O    1 
ATOM   3931 C  CB   . ALA A 1 283 ? -45.364 47.699 14.282  1.00 9.79   ?  283  ALA A CB   1 
ATOM   3932 H  H    . ALA A 1 283 ? -45.345 47.308 11.843  1.00 8.77   ?  283  ALA A H    1 
ATOM   3933 H  HA   . ALA A 1 283 ? -46.123 45.851 13.958  1.00 9.09   ?  283  ALA A HA   1 
ATOM   3934 H  HB1  . ALA A 1 283 ? -45.596 47.744 15.225  1.00 9.58   ?  283  ALA A HB1  1 
ATOM   3935 H  HB2  . ALA A 1 283 ? -44.448 47.391 14.189  1.00 9.62   ?  283  ALA A HB2  1 
ATOM   3936 H  HB3  . ALA A 1 283 ? -45.450 48.582 13.885  1.00 9.55   ?  283  ALA A HB3  1 
ATOM   3937 N  N    . HIS A 1 284 ? -48.225 48.124 13.115  1.00 9.85   ?  284  HIS A N    1 
ATOM   3938 C  CA   . HIS A 1 284 ? -49.576 48.630 13.348  1.00 11.47  ?  284  HIS A CA   1 
ATOM   3939 C  C    . HIS A 1 284 ? -50.623 47.682 12.794  1.00 11.74  ?  284  HIS A C    1 
ATOM   3940 O  O    . HIS A 1 284 ? -51.684 47.515 13.379  1.00 12.42  ?  284  HIS A O    1 
ATOM   3941 C  CB   . HIS A 1 284 ? -49.746 50.046 12.783  1.00 11.92  ?  284  HIS A CB   1 
ATOM   3942 C  CG   . HIS A 1 284 ? -48.976 51.067 13.529  1.00 13.77  ?  284  HIS A CG   1 
ATOM   3943 N  ND1  . HIS A 1 284 ? -49.066 51.190 14.904  1.00 16.45  ?  284  HIS A ND1  1 
ATOM   3944 C  CD2  . HIS A 1 284 ? -48.136 52.043 13.128  1.00 15.70  ?  284  HIS A CD2  1 
ATOM   3945 C  CE1  . HIS A 1 284 ? -48.299 52.202 15.300  1.00 18.01  ?  284  HIS A CE1  1 
ATOM   3946 N  NE2  . HIS A 1 284 ? -47.697 52.697 14.264  1.00 17.83  ?  284  HIS A NE2  1 
ATOM   3947 H  H    . HIS A 1 284 ? -47.708 48.521 12.475  1.00 9.85   ?  284  HIS A H    1 
ATOM   3948 H  HA   . HIS A 1 284 ? -49.703 48.681 14.325  1.00 11.34  ?  284  HIS A HA   1 
ATOM   3949 H  HB2  . HIS A 1 284 ? -49.455 50.048 11.845  1.00 11.99  ?  284  HIS A HB2  1 
ATOM   3950 H  HB3  . HIS A 1 284 ? -50.698 50.284 12.806  1.00 11.99  ?  284  HIS A HB3  1 
ATOM   3951 H  HD1  . HIS A 1 284 ? -49.576 50.700 15.438  0.00 16.83  ?  284  HIS A HD1  1 
ATOM   3952 H  HD2  . HIS A 1 284 ? -47.850 52.214 12.253  1.00 15.50  ?  284  HIS A HD2  1 
ATOM   3953 H  HE1  . HIS A 1 284 ? -48.172 52.474 16.192  1.00 17.69  ?  284  HIS A HE1  1 
ATOM   3954 H  HE2  . HIS A 1 284 ? -47.141 53.380 14.258  0.00 19.22  ?  284  HIS A HE2  1 
ATOM   3955 N  N    . GLN A 1 285 ? -50.373 47.114 11.614  1.00 11.38  ?  285  GLN A N    1 
ATOM   3956 C  CA   . GLN A 1 285 ? -51.377 46.310 10.954  1.00 11.65  ?  285  GLN A CA   1 
ATOM   3957 C  C    . GLN A 1 285 ? -51.341 44.837 11.308  1.00 9.46   ?  285  GLN A C    1 
ATOM   3958 O  O    . GLN A 1 285 ? -52.361 44.170 11.200  1.00 11.32  ?  285  GLN A O    1 
ATOM   3959 C  CB   . GLN A 1 285 ? -51.195 46.422 9.440   1.00 14.34  ?  285  GLN A CB   1 
ATOM   3960 C  CG   . GLN A 1 285 ? -51.368 47.837 8.942   1.00 18.95  ?  285  GLN A CG   1 
ATOM   3961 C  CD   . GLN A 1 285 ? -51.080 47.992 7.464   1.00 26.61  ?  285  GLN A CD   1 
ATOM   3962 O  OE1  . GLN A 1 285 ? -51.101 47.041 6.672   1.00 34.54  ?  285  GLN A OE1  1 
ATOM   3963 N  NE2  . GLN A 1 285 ? -50.763 49.216 7.076   1.00 32.76  ?  285  GLN A NE2  1 
ATOM   3964 H  H    . GLN A 1 285 ? -49.561 47.232 11.210  1.00 11.49  ?  285  GLN A H    1 
ATOM   3965 H  HA   . GLN A 1 285 ? -52.265 46.666 11.189  1.00 11.31  ?  285  GLN A HA   1 
ATOM   3966 H  HB2  . GLN A 1 285 ? -50.299 46.102 9.205   1.00 14.19  ?  285  GLN A HB2  1 
ATOM   3967 H  HB3  . GLN A 1 285 ? -51.850 45.841 8.999   1.00 14.13  ?  285  GLN A HB3  1 
ATOM   3968 H  HG2  . GLN A 1 285 ? -52.289 48.126 9.117   1.00 18.31  ?  285  GLN A HG2  1 
ATOM   3969 H  HG3  . GLN A 1 285 ? -50.771 48.430 9.445   1.00 18.17  ?  285  GLN A HG3  1 
ATOM   3970 H  HE21 . GLN A 1 285 ? -50.888 49.901 7.621   1.00 30.48  ?  285  GLN A HE21 1 
ATOM   3971 H  HE22 . GLN A 1 285 ? -50.426 49.351 6.269   1.00 31.17  ?  285  GLN A HE22 1 
ATOM   3972 N  N    . HIS A 1 286 ? -50.209 44.319 11.776  1.00 8.79   ?  286  HIS A N    1 
ATOM   3973 C  CA   . HIS A 1 286 ? -50.070 42.906 12.061  1.00 8.46   ?  286  HIS A CA   1 
ATOM   3974 C  C    . HIS A 1 286 ? -49.773 42.662 13.536  1.00 7.61   ?  286  HIS A C    1 
ATOM   3975 O  O    . HIS A 1 286 ? -50.542 42.000 14.186  1.00 7.50   ?  286  HIS A O    1 
ATOM   3976 C  CB   . HIS A 1 286 ? -49.014 42.267 11.154  1.00 8.53   ?  286  HIS A CB   1 
ATOM   3977 C  CG   . HIS A 1 286 ? -49.502 42.248 9.755   1.00 9.73   ?  286  HIS A CG   1 
ATOM   3978 N  ND1  . HIS A 1 286 ? -50.528 41.396 9.373   1.00 9.91   ?  286  HIS A ND1  1 
ATOM   3979 C  CD2  . HIS A 1 286 ? -49.170 42.957 8.657   1.00 10.93  ?  286  HIS A CD2  1 
ATOM   3980 C  CE1  . HIS A 1 286 ? -50.771 41.633 8.074   1.00 11.91  ?  286  HIS A CE1  1 
ATOM   3981 N  NE2  . HIS A 1 286 ? -49.963 42.556 7.632   1.00 12.78  ?  286  HIS A NE2  1 
ATOM   3982 H  H    . HIS A 1 286 ? -49.492 44.867 11.921  1.00 8.77   ?  286  HIS A H    1 
ATOM   3983 H  HA   . HIS A 1 286 ? -50.934 42.472 11.855  1.00 8.39   ?  286  HIS A HA   1 
ATOM   3984 H  HB2  . HIS A 1 286 ? -48.184 42.786 11.205  1.00 8.73   ?  286  HIS A HB2  1 
ATOM   3985 H  HB3  . HIS A 1 286 ? -48.845 41.347 11.454  1.00 8.72   ?  286  HIS A HB3  1 
ATOM   3986 H  HD1  . HIS A 1 286 ? -50.952 40.828 9.894   0.00 10.04  ?  286  HIS A HD1  1 
ATOM   3987 H  HD2  . HIS A 1 286 ? -48.507 43.617 8.608   1.00 10.85  ?  286  HIS A HD2  1 
ATOM   3988 H  HE1  . HIS A 1 286 ? -51.414 41.179 7.563   1.00 11.59  ?  286  HIS A HE1  1 
ATOM   3989 H  HE2  . HIS A 1 286 ? -49.942 42.868 6.819   0.00 13.79  ?  286  HIS A HE2  1 
ATOM   3990 N  N    . LEU A 1 287 ? -48.681 43.207 14.063  1.00 7.19   ?  287  LEU A N    1 
ATOM   3991 C  CA   . LEU A 1 287 ? -48.361 42.954 15.462  1.00 7.05   ?  287  LEU A CA   1 
ATOM   3992 C  C    . LEU A 1 287 ? -49.466 43.408 16.391  1.00 7.35   ?  287  LEU A C    1 
ATOM   3993 O  O    . LEU A 1 287 ? -49.889 42.636 17.254  1.00 8.14   ?  287  LEU A O    1 
ATOM   3994 C  CB   . LEU A 1 287 ? -47.042 43.603 15.861  1.00 7.31   ?  287  LEU A CB   1 
ATOM   3995 C  CG   . LEU A 1 287 ? -45.830 43.172 15.053  1.00 8.28   ?  287  LEU A CG   1 
ATOM   3996 C  CD1  . LEU A 1 287 ? -44.621 43.897 15.592  1.00 9.06   ?  287  LEU A CD1  1 
ATOM   3997 C  CD2  . LEU A 1 287 ? -45.598 41.671 15.141  1.00 8.63   ?  287  LEU A CD2  1 
ATOM   3998 H  H    . LEU A 1 287 ? -48.138 43.744 13.560  1.00 7.24   ?  287  LEU A H    1 
ATOM   3999 H  HA   . LEU A 1 287 ? -48.270 41.979 15.568  1.00 7.12   ?  287  LEU A HA   1 
ATOM   4000 H  HB2  . LEU A 1 287 ? -47.140 44.572 15.781  1.00 7.42   ?  287  LEU A HB2  1 
ATOM   4001 H  HB3  . LEU A 1 287 ? -46.873 43.401 16.803  1.00 7.33   ?  287  LEU A HB3  1 
ATOM   4002 H  HG   . LEU A 1 287 ? -45.962 43.425 14.107  1.00 8.31   ?  287  LEU A HG   1 
ATOM   4003 H  HD11 . LEU A 1 287 ? -43.872 43.775 14.983  1.00 8.93   ?  287  LEU A HD11 1 
ATOM   4004 H  HD12 . LEU A 1 287 ? -44.389 43.537 16.466  1.00 8.88   ?  287  LEU A HD12 1 
ATOM   4005 H  HD13 . LEU A 1 287 ? -44.819 44.846 15.675  1.00 8.84   ?  287  LEU A HD13 1 
ATOM   4006 H  HD21 . LEU A 1 287 ? -46.303 41.203 14.660  1.00 8.55   ?  287  LEU A HD21 1 
ATOM   4007 H  HD22 . LEU A 1 287 ? -45.604 41.395 16.075  1.00 8.57   ?  287  LEU A HD22 1 
ATOM   4008 H  HD23 . LEU A 1 287 ? -44.737 41.452 14.745  1.00 8.55   ?  287  LEU A HD23 1 
ATOM   4009 N  N    . GLU A 1 288 ? -49.980 44.627 16.162  1.00 8.54   ?  288  GLU A N    1 
ATOM   4010 C  CA   . GLU A 1 288 ? -51.018 45.141 17.049  1.00 8.45   ?  288  GLU A CA   1 
ATOM   4011 C  C    . GLU A 1 288 ? -52.401 44.513 16.775  1.00 8.19   ?  288  GLU A C    1 
ATOM   4012 O  O    . GLU A 1 288 ? -53.370 44.787 17.490  1.00 9.94   ?  288  GLU A O    1 
ATOM   4013 C  CB   . GLU A 1 288 ? -51.088 46.664 16.980  1.00 9.30   ?  288  GLU A CB   1 
ATOM   4014 C  CG   . GLU A 1 288 ? -49.875 47.336 17.604  1.00 10.73  ?  288  GLU A CG   1 
ATOM   4015 C  CD   . GLU A 1 288 ? -49.849 48.839 17.449  1.00 12.33  ?  288  GLU A CD   1 
ATOM   4016 O  OE1  . GLU A 1 288 ? -50.473 49.339 16.528  1.00 13.76  ?  288  GLU A OE1  1 
ATOM   4017 O  OE2  . GLU A 1 288 ? -49.288 49.488 18.345  1.00 15.24  -1 288  GLU A OE2  1 
ATOM   4018 H  H    . GLU A 1 288 ? -49.687 45.138 15.463  1.00 8.24   ?  288  GLU A H    1 
ATOM   4019 H  HA   . GLU A 1 288 ? -50.762 44.899 17.969  1.00 8.33   ?  288  GLU A HA   1 
ATOM   4020 H  HB2  . GLU A 1 288 ? -51.158 46.933 16.041  1.00 9.40   ?  288  GLU A HB2  1 
ATOM   4021 H  HB3  . GLU A 1 288 ? -51.895 46.965 17.447  1.00 9.33   ?  288  GLU A HB3  1 
ATOM   4022 H  HG2  . GLU A 1 288 ? -49.848 47.121 18.561  1.00 10.64  ?  288  GLU A HG2  1 
ATOM   4023 H  HG3  . GLU A 1 288 ? -49.062 46.968 17.195  1.00 10.62  ?  288  GLU A HG3  1 
ATOM   4024 N  N    . ALA A 1 289 ? -52.495 43.666 15.758  1.00 7.85   ?  289  ALA A N    1 
ATOM   4025 C  CA   . ALA A 1 289 ? -53.764 43.029 15.385  1.00 7.44   ?  289  ALA A CA   1 
ATOM   4026 C  C    . ALA A 1 289 ? -53.906 41.646 16.041  1.00 7.13   ?  289  ALA A C    1 
ATOM   4027 O  O    . ALA A 1 289 ? -54.963 41.046 15.963  1.00 7.80   ?  289  ALA A O    1 
ATOM   4028 C  CB   . ALA A 1 289 ? -53.898 42.905 13.906  1.00 7.64   ?  289  ALA A CB   1 
ATOM   4029 H  H    . ALA A 1 289 ? -51.755 43.482 15.257  1.00 7.76   ?  289  ALA A H    1 
ATOM   4030 H  HA   . ALA A 1 289 ? -54.501 43.596 15.712  1.00 7.44   ?  289  ALA A HA   1 
ATOM   4031 H  HB1  . ALA A 1 289 ? -54.723 42.442 13.690  1.00 7.58   ?  289  ALA A HB1  1 
ATOM   4032 H  HB2  . ALA A 1 289 ? -53.910 43.791 13.505  1.00 7.60   ?  289  ALA A HB2  1 
ATOM   4033 H  HB3  . ALA A 1 289 ? -53.145 42.402 13.553  1.00 7.59   ?  289  ALA A HB3  1 
ATOM   4034 N  N    . SER A 1 290 ? -52.836 41.147 16.653  1.00 7.26   ?  290  SER A N    1 
ATOM   4035 C  CA   . SER A 1 290 ? -52.852 39.828 17.267  1.00 7.18   ?  290  SER A CA   1 
ATOM   4036 C  C    . SER A 1 290 ? -53.436 39.835 18.679  1.00 6.97   ?  290  SER A C    1 
ATOM   4037 O  O    . SER A 1 290 ? -53.146 40.733 19.466  1.00 7.25   ?  290  SER A O    1 
ATOM   4038 C  CB   . SER A 1 290 ? -51.464 39.220 17.369  1.00 7.31   ?  290  SER A CB   1 
ATOM   4039 O  OG   . SER A 1 290 ? -51.485 37.974 18.088  1.00 8.06   ?  290  SER A OG   1 
ATOM   4040 H  H    . SER A 1 290 ? -52.067 41.638 16.691  1.00 7.19   ?  290  SER A H    1 
ATOM   4041 H  HA   . SER A 1 290 ? -53.411 39.233 16.701  1.00 7.18   ?  290  SER A HA   1 
ATOM   4042 H  HB2  . SER A 1 290 ? -51.108 39.069 16.464  1.00 7.36   ?  290  SER A HB2  1 
ATOM   4043 H  HB3  . SER A 1 290 ? -50.866 39.852 17.829  1.00 7.34   ?  290  SER A HB3  1 
ATOM   4044 H  HG   . SER A 1 290 ? -51.605 37.348 17.525  0.00 8.39   ?  290  SER A HG   1 
ATOM   4045 N  N    . ASP A 1 291 ? -54.261 38.829 18.986  1.00 6.96   ?  291  ASP A N    1 
ATOM   4046 C  CA   . ASP A 1 291 ? -54.852 38.652 20.298  1.00 6.89   ?  291  ASP A CA   1 
ATOM   4047 C  C    . ASP A 1 291 ? -53.930 37.989 21.299  1.00 7.01   ?  291  ASP A C    1 
ATOM   4048 O  O    . ASP A 1 291 ? -54.392 37.729 22.410  1.00 7.31   ?  291  ASP A O    1 
ATOM   4049 C  CB   . ASP A 1 291 ? -56.159 37.856 20.179  1.00 6.63   ?  291  ASP A CB   1 
ATOM   4050 C  CG   . ASP A 1 291 ? -55.997 36.418 19.731  1.00 6.50   ?  291  ASP A CG   1 
ATOM   4051 O  OD1  . ASP A 1 291 ? -54.850 36.006 19.493  1.00 7.22   ?  291  ASP A OD1  1 
ATOM   4052 O  OD2  . ASP A 1 291 ? -57.042 35.706 19.721  1.00 6.57   -1 291  ASP A OD2  1 
ATOM   4053 H  H    . ASP A 1 291 ? -54.460 38.217 18.337  1.00 6.93   ?  291  ASP A H    1 
ATOM   4054 H  HA   . ASP A 1 291 ? -55.082 39.546 20.646  1.00 6.90   ?  291  ASP A HA   1 
ATOM   4055 H  HB2  . ASP A 1 291 ? -56.612 37.853 21.045  1.00 6.67   ?  291  ASP A HB2  1 
ATOM   4056 H  HB3  . ASP A 1 291 ? -56.743 38.306 19.535  1.00 6.65   ?  291  ASP A HB3  1 
ATOM   4057 N  N    . LYS A 1 292 ? -52.670 37.748 20.958  1.00 6.86   ?  292  LYS A N    1 
ATOM   4058 C  CA   . LYS A 1 292 ? -51.689 37.121 21.811  1.00 6.81   ?  292  LYS A CA   1 
ATOM   4059 C  C    . LYS A 1 292 ? -50.471 38.013 21.867  1.00 6.89   ?  292  LYS A C    1 
ATOM   4060 O  O    . LYS A 1 292 ? -50.255 38.841 20.986  1.00 7.27   ?  292  LYS A O    1 
ATOM   4061 C  CB   . LYS A 1 292 ? -51.274 35.771 21.215  1.00 7.29   ?  292  LYS A CB   1 
ATOM   4062 C  CG   . LYS A 1 292 ? -52.342 34.710 21.450  1.00 7.04   ?  292  LYS A CG   1 
ATOM   4063 C  CD   . LYS A 1 292 ? -52.111 33.399 20.760  1.00 7.62   ?  292  LYS A CD   1 
ATOM   4064 C  CE   . LYS A 1 292 ? -52.485 33.401 19.303  1.00 7.82   ?  292  LYS A CE   1 
ATOM   4065 N  NZ   . LYS A 1 292 ? -53.972 33.424 19.154  1.00 7.18   1  292  LYS A NZ   1 
ATOM   4066 H  H    . LYS A 1 292 ? -52.401 37.989 20.119  1.00 6.87   ?  292  LYS A H    1 
ATOM   4067 H  HA   . LYS A 1 292 ? -52.061 36.995 22.713  1.00 6.94   ?  292  LYS A HA   1 
ATOM   4068 H  HB2  . LYS A 1 292 ? -51.130 35.877 20.252  1.00 7.12   ?  292  LYS A HB2  1 
ATOM   4069 H  HB3  . LYS A 1 292 ? -50.433 35.479 21.624  1.00 7.14   ?  292  LYS A HB3  1 
ATOM   4070 H  HG2  . LYS A 1 292 ? -52.407 34.547 22.414  1.00 7.07   ?  292  LYS A HG2  1 
ATOM   4071 H  HG3  . LYS A 1 292 ? -53.204 35.070 21.158  1.00 7.06   ?  292  LYS A HG3  1 
ATOM   4072 H  HD2  . LYS A 1 292 ? -51.162 33.162 20.840  1.00 7.49   ?  292  LYS A HD2  1 
ATOM   4073 H  HD3  . LYS A 1 292 ? -52.631 32.704 21.218  1.00 7.50   ?  292  LYS A HD3  1 
ATOM   4074 H  HE2  . LYS A 1 292 ? -52.105 34.185 18.863  1.00 7.65   ?  292  LYS A HE2  1 
ATOM   4075 H  HE3  . LYS A 1 292 ? -52.131 32.602 18.868  1.00 7.64   ?  292  LYS A HE3  1 
ATOM   4076 H  HZ1  . LYS A 1 292 ? -54.296 34.227 19.415  1.00 7.32   ?  292  LYS A HZ1  1 
ATOM   4077 H  HZ2  . LYS A 1 292 ? -54.344 32.771 19.663  1.00 7.29   ?  292  LYS A HZ2  1 
ATOM   4078 H  HZ3  . LYS A 1 292 ? -54.195 33.284 18.288  1.00 7.29   ?  292  LYS A HZ3  1 
ATOM   4079 N  N    . PRO A 1 293 ? -49.572 37.768 22.846  1.00 6.63   ?  293  PRO A N    1 
ATOM   4080 C  CA   . PRO A 1 293 ? -48.229 38.321 22.718  1.00 6.68   ?  293  PRO A CA   1 
ATOM   4081 C  C    . PRO A 1 293 ? -47.652 37.836 21.395  1.00 6.61   ?  293  PRO A C    1 
ATOM   4082 O  O    . PRO A 1 293 ? -47.849 36.698 20.993  1.00 6.57   ?  293  PRO A O    1 
ATOM   4083 C  CB   . PRO A 1 293 ? -47.488 37.724 23.905  1.00 7.35   ?  293  PRO A CB   1 
ATOM   4084 C  CG   . PRO A 1 293 ? -48.577 37.324 24.830  1.00 8.23   ?  293  PRO A CG   1 
ATOM   4085 C  CD   . PRO A 1 293 ? -49.695 36.836 23.964  1.00 7.37   ?  293  PRO A CD   1 
ATOM   4086 H  HA   . PRO A 1 293 ? -48.249 39.309 22.771  1.00 6.75   ?  293  PRO A HA   1 
ATOM   4087 H  HB2  . PRO A 1 293 ? -46.953 36.946 23.636  1.00 7.32   ?  293  PRO A HB2  1 
ATOM   4088 H  HB3  . PRO A 1 293 ? -46.898 38.387 24.323  1.00 7.32   ?  293  PRO A HB3  1 
ATOM   4089 H  HG2  . PRO A 1 293 ? -48.273 36.613 25.431  1.00 7.83   ?  293  PRO A HG2  1 
ATOM   4090 H  HG3  . PRO A 1 293 ? -48.868 38.087 25.370  1.00 7.82   ?  293  PRO A HG3  1 
ATOM   4091 H  HD2  . PRO A 1 293 ? -49.557 35.914 23.681  1.00 7.30   ?  293  PRO A HD2  1 
ATOM   4092 H  HD3  . PRO A 1 293 ? -50.558 36.919 24.410  1.00 7.28   ?  293  PRO A HD3  1 
ATOM   4093 N  N    . VAL A 1 294 ? -46.849 38.699 20.750  1.00 6.61   ?  294  VAL A N    1 
ATOM   4094 C  CA   . VAL A 1 294 ? -46.157 38.368 19.509  1.00 6.93   ?  294  VAL A CA   1 
ATOM   4095 C  C    . VAL A 1 294 ? -44.740 38.874 19.631  1.00 7.35   ?  294  VAL A C    1 
ATOM   4096 O  O    . VAL A 1 294 ? -44.540 40.052 19.868  1.00 9.45   ?  294  VAL A O    1 
ATOM   4097 C  CB   . VAL A 1 294 ? -46.769 39.010 18.257  1.00 8.03   ?  294  VAL A CB   1 
ATOM   4098 C  CG1  . VAL A 1 294 ? -46.014 38.596 17.006  1.00 7.41   ?  294  VAL A CG1  1 
ATOM   4099 C  CG2  . VAL A 1 294 ? -48.230 38.722 18.089  1.00 8.87   ?  294  VAL A CG2  1 
ATOM   4100 H  H    . VAL A 1 294 ? -46.729 39.534 21.103  1.00 6.58   ?  294  VAL A H    1 
ATOM   4101 H  HA   . VAL A 1 294 ? -46.145 37.403 19.399  1.00 7.09   ?  294  VAL A HA   1 
ATOM   4102 H  HB   . VAL A 1 294 ? -46.670 39.989 18.353  1.00 7.83   ?  294  VAL A HB   1 
ATOM   4103 H  HG11 . VAL A 1 294 ? -45.932 37.627 16.981  1.00 7.50   ?  294  VAL A HG11 1 
ATOM   4104 H  HG12 . VAL A 1 294 ? -45.126 38.996 17.012  1.00 7.53   ?  294  VAL A HG12 1 
ATOM   4105 H  HG13 . VAL A 1 294 ? -46.498 38.900 16.218  1.00 7.45   ?  294  VAL A HG13 1 
ATOM   4106 H  HG21 . VAL A 1 294 ? -48.551 39.137 17.270  1.00 8.68   ?  294  VAL A HG21 1 
ATOM   4107 H  HG22 . VAL A 1 294 ? -48.721 39.081 18.848  1.00 8.67   ?  294  VAL A HG22 1 
ATOM   4108 H  HG23 . VAL A 1 294 ? -48.369 37.761 18.040  1.00 8.64   ?  294  VAL A HG23 1 
ATOM   4109 N  N    . ILE A 1 295 ? -43.780 37.980 19.515  1.00 7.11   ?  295  ILE A N    1 
ATOM   4110 C  CA   . ILE A 1 295 ? -42.405 38.400 19.347  1.00 7.29   ?  295  ILE A CA   1 
ATOM   4111 C  C    . ILE A 1 295 ? -42.109 38.390 17.850  1.00 7.23   ?  295  ILE A C    1 
ATOM   4112 O  O    . ILE A 1 295 ? -42.513 37.472 17.112  1.00 7.21   ?  295  ILE A O    1 
ATOM   4113 C  CB   . ILE A 1 295 ? -41.427 37.502 20.132  1.00 7.73   ?  295  ILE A CB   1 
ATOM   4114 C  CG1  . ILE A 1 295 ? -41.453 36.041 19.693  1.00 8.85   ?  295  ILE A CG1  1 
ATOM   4115 C  CG2  . ILE A 1 295 ? -41.677 37.637 21.600  1.00 8.67   ?  295  ILE A CG2  1 
ATOM   4116 C  CD1  . ILE A 1 295 ? -40.391 35.186 20.346  1.00 9.30   ?  295  ILE A CD1  1 
ATOM   4117 H  H    . ILE A 1 295 ? -43.978 37.088 19.537  1.00 7.10   ?  295  ILE A H    1 
ATOM   4118 H  HA   . ILE A 1 295 ? -42.313 39.311 19.677  1.00 7.29   ?  295  ILE A HA   1 
ATOM   4119 H  HB   . ILE A 1 295 ? -40.516 37.842 19.956  1.00 7.82   ?  295  ILE A HB   1 
ATOM   4120 H  HG12 . ILE A 1 295 ? -42.333 35.663 19.905  1.00 8.65   ?  295  ILE A HG12 1 
ATOM   4121 H  HG13 . ILE A 1 295 ? -41.333 35.998 18.722  1.00 8.64   ?  295  ILE A HG13 1 
ATOM   4122 H  HG21 . ILE A 1 295 ? -42.529 37.223 21.826  1.00 8.44   ?  295  ILE A HG21 1 
ATOM   4123 H  HG22 . ILE A 1 295 ? -41.703 38.580 21.841  1.00 8.43   ?  295  ILE A HG22 1 
ATOM   4124 H  HG23 . ILE A 1 295 ? -40.964 37.199 22.097  1.00 8.41   ?  295  ILE A HG23 1 
ATOM   4125 H  HD11 . ILE A 1 295 ? -40.604 35.062 21.287  1.00 9.25   ?  295  ILE A HD11 1 
ATOM   4126 H  HD12 . ILE A 1 295 ? -39.525 35.623 20.264  1.00 9.20   ?  295  ILE A HD12 1 
ATOM   4127 H  HD13 . ILE A 1 295 ? -40.357 34.318 19.906  1.00 9.19   ?  295  ILE A HD13 1 
ATOM   4128 N  N    . VAL A 1 296 ? -41.274 39.361 17.460  1.00 6.87   ?  296  VAL A N    1 
ATOM   4129 C  CA   . VAL A 1 296 ? -40.655 39.284 16.142  1.00 6.71   ?  296  VAL A CA   1 
ATOM   4130 C  C    . VAL A 1 296 ? -39.384 38.478 16.392  1.00 6.78   ?  296  VAL A C    1 
ATOM   4131 O  O    . VAL A 1 296 ? -38.328 39.013 16.710  1.00 7.34   ?  296  VAL A O    1 
ATOM   4132 C  CB   . VAL A 1 296 ? -40.393 40.670 15.559  1.00 6.84   ?  296  VAL A CB   1 
ATOM   4133 C  CG1  . VAL A 1 296 ? -39.808 40.482 14.161  1.00 7.27   ?  296  VAL A CG1  1 
ATOM   4134 C  CG2  . VAL A 1 296 ? -41.705 41.443 15.481  1.00 7.23   ?  296  VAL A CG2  1 
ATOM   4135 H  H    . VAL A 1 296 ? -41.090 40.070 18.007  1.00 6.87   ?  296  VAL A H    1 
ATOM   4136 H  HA   . VAL A 1 296 ? -41.238 38.792 15.543  1.00 6.77   ?  296  VAL A HA   1 
ATOM   4137 H  HB   . VAL A 1 296 ? -39.749 41.155 16.132  1.00 6.90   ?  296  VAL A HB   1 
ATOM   4138 H  HG11 . VAL A 1 296 ? -40.387 39.897 13.642  1.00 7.17   ?  296  VAL A HG11 1 
ATOM   4139 H  HG12 . VAL A 1 296 ? -38.922 40.086 14.227  1.00 7.16   ?  296  VAL A HG12 1 
ATOM   4140 H  HG13 . VAL A 1 296 ? -39.742 41.347 13.718  1.00 7.17   ?  296  VAL A HG13 1 
ATOM   4141 H  HG21 . VAL A 1 296 ? -41.566 42.267 14.983  1.00 7.07   ?  296  VAL A HG21 1 
ATOM   4142 H  HG22 . VAL A 1 296 ? -42.012 41.656 16.379  1.00 7.18   ?  296  VAL A HG22 1 
ATOM   4143 H  HG23 . VAL A 1 296 ? -42.375 40.901 15.029  1.00 7.08   ?  296  VAL A HG23 1 
ATOM   4144 N  N    . GLY A 1 297 ? -39.512 37.151 16.275  1.00 6.20   ?  297  GLY A N    1 
ATOM   4145 C  CA   . GLY A 1 297 ? -38.478 36.234 16.707  1.00 6.44   ?  297  GLY A CA   1 
ATOM   4146 C  C    . GLY A 1 297 ? -37.277 36.135 15.796  1.00 6.47   ?  297  GLY A C    1 
ATOM   4147 O  O    . GLY A 1 297 ? -36.257 35.519 16.164  1.00 6.44   ?  297  GLY A O    1 
ATOM   4148 H  H    . GLY A 1 297 ? -40.276 36.807 15.909  1.00 6.31   ?  297  GLY A H    1 
ATOM   4149 H  HA2  . GLY A 1 297 ? -38.172 36.513 17.606  1.00 6.37   ?  297  GLY A HA2  1 
ATOM   4150 H  HA3  . GLY A 1 297 ? -38.876 35.335 16.804  1.00 6.39   ?  297  GLY A HA3  1 
ATOM   4151 N  N    . GLU A 1 298 ? -37.414 36.675 14.562  1.00 6.61   ?  298  GLU A N    1 
ATOM   4152 C  CA   . GLU A 1 298 ? -36.285 36.893 13.661  1.00 6.54   ?  298  GLU A CA   1 
ATOM   4153 C  C    . GLU A 1 298 ? -36.583 38.163 12.866  1.00 7.09   ?  298  GLU A C    1 
ATOM   4154 O  O    . GLU A 1 298 ? -37.731 38.391 12.475  1.00 7.28   ?  298  GLU A O    1 
ATOM   4155 C  CB   . GLU A 1 298 ? -36.115 35.756 12.669  1.00 7.16   ?  298  GLU A CB   1 
ATOM   4156 C  CG   . GLU A 1 298 ? -35.858 34.410 13.281  1.00 7.29   ?  298  GLU A CG   1 
ATOM   4157 C  CD   . GLU A 1 298 ? -35.574 33.323 12.280  1.00 8.17   ?  298  GLU A CD   1 
ATOM   4158 O  OE1  . GLU A 1 298 ? -35.353 33.647 11.073  1.00 10.20  ?  298  GLU A OE1  1 
ATOM   4159 O  OE2  . GLU A 1 298 ? -35.626 32.161 12.656  1.00 7.85   -1 298  GLU A OE2  1 
ATOM   4160 H  H    . GLU A 1 298 ? -38.250 36.901 14.269  1.00 6.54   ?  298  GLU A H    1 
ATOM   4161 H  HA   . GLU A 1 298 ? -35.461 37.008 14.186  1.00 6.74   ?  298  GLU A HA   1 
ATOM   4162 H  HB2  . GLU A 1 298 ? -36.924 35.702 12.119  1.00 7.02   ?  298  GLU A HB2  1 
ATOM   4163 H  HB3  . GLU A 1 298 ? -35.369 35.978 12.079  1.00 7.04   ?  298  GLU A HB3  1 
ATOM   4164 H  HG2  . GLU A 1 298 ? -35.094 34.478 13.892  1.00 7.46   ?  298  GLU A HG2  1 
ATOM   4165 H  HG3  . GLU A 1 298 ? -36.639 34.146 13.811  1.00 7.41   ?  298  GLU A HG3  1 
ATOM   4166 N  N    . TRP A 1 299 ? -35.531 38.952 12.709  1.00 6.86   ?  299  TRP A N    1 
ATOM   4167 C  CA   . TRP A 1 299 ? -35.499 40.193 11.923  1.00 7.01   ?  299  TRP A CA   1 
ATOM   4168 C  C    . TRP A 1 299 ? -34.024 40.562 11.849  1.00 6.57   ?  299  TRP A C    1 
ATOM   4169 O  O    . TRP A 1 299 ? -33.201 39.984 12.587  1.00 6.99   ?  299  TRP A O    1 
ATOM   4170 C  CB   . TRP A 1 299 ? -36.282 41.323 12.589  1.00 7.11   ?  299  TRP A CB   1 
ATOM   4171 C  CG   . TRP A 1 299 ? -35.781 41.697 13.963  1.00 6.95   ?  299  TRP A CG   1 
ATOM   4172 C  CD1  . TRP A 1 299 ? -35.998 41.040 15.137  1.00 7.00   ?  299  TRP A CD1  1 
ATOM   4173 C  CD2  . TRP A 1 299 ? -34.933 42.809 14.256  1.00 6.94   ?  299  TRP A CD2  1 
ATOM   4174 N  NE1  . TRP A 1 299 ? -35.337 41.683 16.146  1.00 7.28   ?  299  TRP A NE1  1 
ATOM   4175 C  CE2  . TRP A 1 299 ? -34.657 42.765 15.648  1.00 7.27   ?  299  TRP A CE2  1 
ATOM   4176 C  CE3  . TRP A 1 299 ? -34.363 43.837 13.490  1.00 6.98   ?  299  TRP A CE3  1 
ATOM   4177 C  CZ2  . TRP A 1 299 ? -33.921 43.754 16.293  1.00 7.68   ?  299  TRP A CZ2  1 
ATOM   4178 C  CZ3  . TRP A 1 299 ? -33.596 44.785 14.135  1.00 7.62   ?  299  TRP A CZ3  1 
ATOM   4179 C  CH2  . TRP A 1 299 ? -33.385 44.742 15.504  1.00 7.48   ?  299  TRP A CH2  1 
ATOM   4180 H  H    . TRP A 1 299 ? -34.757 38.703 13.128  1.00 6.93   ?  299  TRP A H    1 
ATOM   4181 H  HA   . TRP A 1 299 ? -35.857 40.022 11.022  1.00 6.92   ?  299  TRP A HA   1 
ATOM   4182 H  HB2  . TRP A 1 299 ? -36.240 42.110 12.008  1.00 7.02   ?  299  TRP A HB2  1 
ATOM   4183 H  HB3  . TRP A 1 299 ? -37.220 41.050 12.655  1.00 7.05   ?  299  TRP A HB3  1 
ATOM   4184 H  HD1  . TRP A 1 299 ? -36.507 40.251 15.241  1.00 7.04   ?  299  TRP A HD1  1 
ATOM   4185 H  HE1  . TRP A 1 299 ? -35.350 41.440 16.986  1.00 7.20   ?  299  TRP A HE1  1 
ATOM   4186 H  HE3  . TRP A 1 299 ? -34.517 43.889 12.562  1.00 7.07   ?  299  TRP A HE3  1 
ATOM   4187 H  HZ2  . TRP A 1 299 ? -33.747 43.711 17.217  1.00 7.51   ?  299  TRP A HZ2  1 
ATOM   4188 H  HZ3  . TRP A 1 299 ? -33.213 45.488 13.633  1.00 7.40   ?  299  TRP A HZ3  1 
ATOM   4189 H  HH2  . TRP A 1 299 ? -32.840 45.397 15.903  1.00 7.51   ?  299  TRP A HH2  1 
ATOM   4190 N  N    . THR A 1 300 ? -33.635 41.527 11.040  1.00 6.71   ?  300  THR A N    1 
ATOM   4191 C  CA   . THR A 1 300 ? -32.226 41.799 10.929  1.00 6.62   ?  300  THR A CA   1 
ATOM   4192 C  C    . THR A 1 300 ? -31.977 43.242 10.507  1.00 6.59   ?  300  THR A C    1 
ATOM   4193 O  O    . THR A 1 300 ? -32.907 44.004 10.232  1.00 7.23   ?  300  THR A O    1 
ATOM   4194 C  CB   . THR A 1 300 ? -31.550 40.743 10.034  1.00 6.61   ?  300  THR A CB   1 
ATOM   4195 O  OG1  . THR A 1 300 ? -30.137 40.790 10.285  1.00 6.77   ?  300  THR A OG1  1 
ATOM   4196 C  CG2  . THR A 1 300 ? -31.833 40.944 8.564   1.00 6.36   ?  300  THR A CG2  1 
ATOM   4197 H  H    . THR A 1 300 ? -34.238 42.016 10.557  1.00 6.61   ?  300  THR A H    1 
ATOM   4198 H  HA   . THR A 1 300 ? -31.846 41.698 11.830  1.00 6.61   ?  300  THR A HA   1 
ATOM   4199 H  HB   . THR A 1 300 ? -31.887 39.854 10.298  1.00 6.57   ?  300  THR A HB   1 
ATOM   4200 H  HG1  . THR A 1 300 ? -29.838 41.560 10.101  0.00 7.07   ?  300  THR A HG1  1 
ATOM   4201 H  HG21 . THR A 1 300 ? -31.343 40.284 8.044   1.00 6.43   ?  300  THR A HG21 1 
ATOM   4202 H  HG22 . THR A 1 300 ? -31.552 41.836 8.295   1.00 6.40   ?  300  THR A HG22 1 
ATOM   4203 H  HG23 . THR A 1 300 ? -32.787 40.842 8.399   1.00 6.41   ?  300  THR A HG23 1 
ATOM   4204 N  N    . GLY A 1 301 ? -30.693 43.566 10.389  1.00 6.61   ?  301  GLY A N    1 
ATOM   4205 C  CA   . GLY A 1 301 ? -30.267 44.885 9.985   1.00 6.72   ?  301  GLY A CA   1 
ATOM   4206 C  C    . GLY A 1 301 ? -30.045 45.050 8.490   1.00 6.54   ?  301  GLY A C    1 
ATOM   4207 O  O    . GLY A 1 301 ? -30.115 46.171 8.012   1.00 7.38   ?  301  GLY A O    1 
ATOM   4208 H  H    . GLY A 1 301 ? -30.055 42.939 10.576  1.00 6.58   ?  301  GLY A H    1 
ATOM   4209 H  HA2  . GLY A 1 301 ? -30.944 45.543 10.283  1.00 6.69   ?  301  GLY A HA2  1 
ATOM   4210 H  HA3  . GLY A 1 301 ? -29.423 45.098 10.457  1.00 6.66   ?  301  GLY A HA3  1 
ATOM   4211 N  N    . ALA A 1 302 ? -29.783 43.949 7.792   1.00 6.78   ?  302  ALA A N    1 
ATOM   4212 C  CA   . ALA A 1 302 ? -29.639 43.944 6.337   1.00 6.78   ?  302  ALA A CA   1 
ATOM   4213 C  C    . ALA A 1 302 ? -30.967 44.286 5.665   1.00 6.91   ?  302  ALA A C    1 
ATOM   4214 O  O    . ALA A 1 302 ? -32.025 43.862 6.140   1.00 7.75   ?  302  ALA A O    1 
ATOM   4215 C  CB   . ALA A 1 302 ? -29.161 42.587 5.908   1.00 6.94   ?  302  ALA A CB   1 
ATOM   4216 H  H    . ALA A 1 302 ? -29.673 43.160 8.241   1.00 6.70   ?  302  ALA A H    1 
ATOM   4217 H  HA   . ALA A 1 302 ? -28.968 44.620 6.083   1.00 6.82   ?  302  ALA A HA   1 
ATOM   4218 H  HB1  . ALA A 1 302 ? -29.115 42.550 4.938   1.00 6.90   ?  302  ALA A HB1  1 
ATOM   4219 H  HB2  . ALA A 1 302 ? -28.278 42.421 6.280   1.00 6.91   ?  302  ALA A HB2  1 
ATOM   4220 H  HB3  . ALA A 1 302 ? -29.779 41.908 6.228   1.00 6.90   ?  302  ALA A HB3  1 
ATOM   4221 N  N    . VAL A 1 303 ? -30.865 44.937 4.480   1.00 7.30   ?  303  VAL A N    1 
ATOM   4222 C  CA   . VAL A 1 303 ? -32.024 45.196 3.653   1.00 7.61   ?  303  VAL A CA   1 
ATOM   4223 C  C    . VAL A 1 303 ? -31.875 44.546 2.277   1.00 7.67   ?  303  VAL A C    1 
ATOM   4224 O  O    . VAL A 1 303 ? -32.773 44.731 1.466   1.00 8.67   ?  303  VAL A O    1 
ATOM   4225 C  CB   . VAL A 1 303 ? -32.336 46.705 3.527   1.00 9.25   ?  303  VAL A CB   1 
ATOM   4226 C  CG1  . VAL A 1 303 ? -32.788 47.276 4.856   1.00 9.82   ?  303  VAL A CG1  1 
ATOM   4227 C  CG2  . VAL A 1 303 ? -31.196 47.500 2.891   1.00 9.67   ?  303  VAL A CG2  1 
ATOM   4228 H  H    . VAL A 1 303 ? -30.047 45.235 4.200   1.00 7.22   ?  303  VAL A H    1 
ATOM   4229 H  HA   . VAL A 1 303 ? -32.790 44.779 4.085   1.00 7.64   ?  303  VAL A HA   1 
ATOM   4230 H  HB   . VAL A 1 303 ? -33.107 46.779 2.913   1.00 9.06   ?  303  VAL A HB   1 
ATOM   4231 H  HG11 . VAL A 1 303 ? -32.084 47.158 5.518   1.00 9.66   ?  303  VAL A HG11 1 
ATOM   4232 H  HG12 . VAL A 1 303 ? -33.591 46.813 5.153   1.00 9.69   ?  303  VAL A HG12 1 
ATOM   4233 H  HG13 . VAL A 1 303 ? -32.981 48.224 4.754   1.00 9.69   ?  303  VAL A HG13 1 
ATOM   4234 H  HG21 . VAL A 1 303 ? -31.444 48.439 2.842   1.00 9.54   ?  303  VAL A HG21 1 
ATOM   4235 H  HG22 . VAL A 1 303 ? -31.024 47.164 1.994   1.00 9.61   ?  303  VAL A HG22 1 
ATOM   4236 H  HG23 . VAL A 1 303 ? -30.392 47.407 3.431   1.00 9.56   ?  303  VAL A HG23 1 
ATOM   4237 N  N    . THR A 1 304 ? -30.801 43.807 2.042   1.00 7.44   ?  304  THR A N    1 
ATOM   4238 C  CA   . THR A 1 304 ? -30.629 43.084 0.779   1.00 6.91   ?  304  THR A CA   1 
ATOM   4239 C  C    . THR A 1 304 ? -30.438 41.625 1.099   1.00 6.85   ?  304  THR A C    1 
ATOM   4240 O  O    . THR A 1 304 ? -30.190 41.239 2.239   1.00 6.69   ?  304  THR A O    1 
ATOM   4241 C  CB   . THR A 1 304 ? -29.418 43.568 -0.036  1.00 7.58   ?  304  THR A CB   1 
ATOM   4242 O  OG1  . THR A 1 304 ? -28.226 42.958 0.481   1.00 7.66   ?  304  THR A OG1  1 
ATOM   4243 C  CG2  . THR A 1 304 ? -29.326 45.079 -0.142  1.00 8.01   ?  304  THR A CG2  1 
ATOM   4244 H  H    . THR A 1 304 ? -30.149 43.737 2.678   1.00 7.38   ?  304  THR A H    1 
ATOM   4245 H  HA   . THR A 1 304 ? -31.444 43.189 0.237   1.00 6.97   ?  304  THR A HA   1 
ATOM   4246 H  HB   . THR A 1 304 ? -29.544 43.224 -0.952  1.00 7.50   ?  304  THR A HB   1 
ATOM   4247 H  HG1  . THR A 1 304 ? -28.129 43.182 1.294   0.00 7.82   ?  304  THR A HG1  1 
ATOM   4248 H  HG21 . THR A 1 304 ? -28.588 45.320 -0.730  1.00 7.85   ?  304  THR A HG21 1 
ATOM   4249 H  HG22 . THR A 1 304 ? -29.173 45.460 0.741   1.00 7.87   ?  304  THR A HG22 1 
ATOM   4250 H  HG23 . THR A 1 304 ? -30.158 45.431 -0.507  1.00 7.91   ?  304  THR A HG23 1 
ATOM   4251 N  N    . ASP A 1 305 ? -30.513 40.798 0.077   1.00 7.06   ?  305  ASP A N    1 
ATOM   4252 C  CA   . ASP A 1 305 ? -30.232 39.376 0.147   1.00 7.03   ?  305  ASP A CA   1 
ATOM   4253 C  C    . ASP A 1 305 ? -28.901 39.037 -0.490  1.00 6.86   ?  305  ASP A C    1 
ATOM   4254 O  O    . ASP A 1 305 ? -28.713 37.921 -0.940  1.00 7.13   ?  305  ASP A O    1 
ATOM   4255 C  CB   . ASP A 1 305 ? -31.317 38.513 -0.473  1.00 7.48   ?  305  ASP A CB   1 
ATOM   4256 C  CG   . ASP A 1 305 ? -31.543 38.732 -1.970  1.00 7.36   ?  305  ASP A CG   1 
ATOM   4257 O  OD1  . ASP A 1 305 ? -31.079 39.788 -2.482  1.00 7.10   ?  305  ASP A OD1  1 
ATOM   4258 O  OD2  . ASP A 1 305 ? -32.124 37.797 -2.564  1.00 7.64   -1 305  ASP A OD2  1 
ATOM   4259 H  H    . ASP A 1 305 ? -30.756 41.143 -0.733  1.00 6.99   ?  305  ASP A H    1 
ATOM   4260 H  HA   . ASP A 1 305 ? -30.177 39.132 1.099   1.00 7.08   ?  305  ASP A HA   1 
ATOM   4261 H  HB2  . ASP A 1 305 ? -31.096 37.570 -0.335  1.00 7.37   ?  305  ASP A HB2  1 
ATOM   4262 H  HB3  . ASP A 1 305 ? -32.162 38.694 -0.012  1.00 7.31   ?  305  ASP A HB3  1 
ATOM   4263 N  N    . CYS A 1 306 ? -27.953 39.965 -0.376  1.00 6.87   ?  306  CYS A N    1 
ATOM   4264 C  CA   . CYS A 1 306 ? -26.621 39.770 -0.909  1.00 7.22   ?  306  CYS A CA   1 
ATOM   4265 C  C    . CYS A 1 306 ? -25.741 38.792 -0.145  1.00 6.70   ?  306  CYS A C    1 
ATOM   4266 O  O    . CYS A 1 306 ? -24.757 38.314 -0.702  1.00 7.47   ?  306  CYS A O    1 
ATOM   4267 C  CB   . CYS A 1 306 ? -25.906 41.094 -0.947  1.00 7.92   ?  306  CYS A CB   1 
ATOM   4268 S  SG   . CYS A 1 306 ? -26.576 42.242 -2.173  1.00 8.89   ?  306  CYS A SG   1 
ATOM   4269 H  H    . CYS A 1 306 ? -28.139 40.746 0.059   1.00 6.92   ?  306  CYS A H    1 
ATOM   4270 H  HA   . CYS A 1 306 ? -26.714 39.442 -1.832  1.00 7.13   ?  306  CYS A HA   1 
ATOM   4271 H  HB2  . CYS A 1 306 ? -25.961 41.515 -0.064  1.00 7.82   ?  306  CYS A HB2  1 
ATOM   4272 H  HB3  . CYS A 1 306 ? -24.960 40.943 -1.149  1.00 7.82   ?  306  CYS A HB3  1 
ATOM   4273 N  N    . ALA A 1 307 ? -25.995 38.579 1.151   1.00 6.93   ?  307  ALA A N    1 
ATOM   4274 C  CA   . ALA A 1 307 ? -25.086 37.731 1.899   1.00 7.07   ?  307  ALA A CA   1 
ATOM   4275 C  C    . ALA A 1 307 ? -24.820 36.407 1.190   1.00 7.35   ?  307  ALA A C    1 
ATOM   4276 O  O    . ALA A 1 307 ? -25.754 35.732 0.731   1.00 7.51   ?  307  ALA A O    1 
ATOM   4277 C  CB   . ALA A 1 307 ? -25.608 37.463 3.304   1.00 6.97   ?  307  ALA A CB   1 
ATOM   4278 H  H    . ALA A 1 307 ? -26.717 38.955 1.565   1.00 6.89   ?  307  ALA A H    1 
ATOM   4279 H  HA   . ALA A 1 307 ? -24.230 38.209 1.979   1.00 7.05   ?  307  ALA A HA   1 
ATOM   4280 H  HB1  . ALA A 1 307 ? -24.992 36.876 3.774   1.00 7.00   ?  307  ALA A HB1  1 
ATOM   4281 H  HB2  . ALA A 1 307 ? -25.686 38.302 3.787   1.00 6.97   ?  307  ALA A HB2  1 
ATOM   4282 H  HB3  . ALA A 1 307 ? -26.481 37.039 3.252   1.00 7.00   ?  307  ALA A HB3  1 
ATOM   4283 N  N    . LYS A 1 308 ? -23.543 35.993 1.184   1.00 7.70   ?  308  LYS A N    1 
ATOM   4284 C  CA   . LYS A 1 308 ? -23.148 34.774 0.498   1.00 7.86   ?  308  LYS A CA   1 
ATOM   4285 C  C    . LYS A 1 308 ? -23.985 33.588 0.935   1.00 7.89   ?  308  LYS A C    1 
ATOM   4286 O  O    . LYS A 1 308 ? -24.079 33.328 2.160   1.00 7.82   ?  308  LYS A O    1 
ATOM   4287 C  CB   . LYS A 1 308 ? -21.661 34.535 0.745   1.00 8.57   ?  308  LYS A CB   1 
ATOM   4288 C  CG   . LYS A 1 308 ? -21.101 33.317 0.062   1.00 9.92   ?  308  LYS A CG   1 
ATOM   4289 C  CD   . LYS A 1 308 ? -19.583 33.178 0.235   1.00 13.50  ?  308  LYS A CD   1 
ATOM   4290 C  CE   . LYS A 1 308 ? -18.949 32.354 -0.850  0.50 14.66  ?  308  LYS A CE   1 
ATOM   4291 N  NZ   . LYS A 1 308 ? -17.487 32.410 -0.673  0.50 15.52  1  308  LYS A NZ   1 
ATOM   4292 H  H    . LYS A 1 308 ? -22.906 36.482 1.621   1.00 7.60   ?  308  LYS A H    1 
ATOM   4293 H  HA   . LYS A 1 308 ? -23.285 34.912 -0.467  1.00 7.88   ?  308  LYS A HA   1 
ATOM   4294 H  HB2  . LYS A 1 308 ? -21.165 35.323 0.437   1.00 8.46   ?  308  LYS A HB2  1 
ATOM   4295 H  HB3  . LYS A 1 308 ? -21.516 34.448 1.710   1.00 8.56   ?  308  LYS A HB3  1 
ATOM   4296 H  HG2  . LYS A 1 308 ? -21.537 32.518 0.427   1.00 9.98   ?  308  LYS A HG2  1 
ATOM   4297 H  HG3  . LYS A 1 308 ? -21.312 33.365 -0.895  1.00 9.97   ?  308  LYS A HG3  1 
ATOM   4298 H  HD2  . LYS A 1 308 ? -19.177 34.071 0.234   1.00 12.59  ?  308  LYS A HD2  1 
ATOM   4299 H  HD3  . LYS A 1 308 ? -19.396 32.761 1.102   1.00 12.77  ?  308  LYS A HD3  1 
ATOM   4300 H  HE2  . LYS A 1 308 ? -19.251 31.429 -0.791  0.50 14.50  ?  308  LYS A HE2  1 
ATOM   4301 H  HE3  . LYS A 1 308 ? -19.188 32.708 -1.727  0.50 14.56  ?  308  LYS A HE3  1 
ATOM   4302 H  HZ1  . LYS A 1 308 ? -17.265 32.113 0.155   0.50 15.35  ?  308  LYS A HZ1  1 
ATOM   4303 H  HZ2  . LYS A 1 308 ? -17.197 33.263 -0.772  0.50 15.27  ?  308  LYS A HZ2  1 
ATOM   4304 H  HZ3  . LYS A 1 308 ? -17.083 31.886 -1.294  0.50 15.36  ?  308  LYS A HZ3  1 
ATOM   4305 N  N    . TYR A 1 309 ? -24.662 32.891 0.028   1.00 7.45   ?  309  TYR A N    1 
ATOM   4306 C  CA   . TYR A 1 309 ? -25.428 31.681 0.299   1.00 7.47   ?  309  TYR A CA   1 
ATOM   4307 C  C    . TYR A 1 309 ? -26.740 31.931 1.022   1.00 7.30   ?  309  TYR A C    1 
ATOM   4308 O  O    . TYR A 1 309 ? -27.400 30.968 1.358   1.00 7.32   ?  309  TYR A O    1 
ATOM   4309 C  CB   . TYR A 1 309 ? -24.623 30.603 1.031   1.00 7.48   ?  309  TYR A CB   1 
ATOM   4310 C  CG   . TYR A 1 309 ? -23.324 30.158 0.399   1.00 7.55   ?  309  TYR A CG   1 
ATOM   4311 C  CD1  . TYR A 1 309 ? -23.092 30.275 -0.958  1.00 8.09   ?  309  TYR A CD1  1 
ATOM   4312 C  CD2  . TYR A 1 309 ? -22.372 29.554 1.193   1.00 7.60   ?  309  TYR A CD2  1 
ATOM   4313 C  CE1  . TYR A 1 309 ? -21.901 29.818 -1.476  1.00 8.21   ?  309  TYR A CE1  1 
ATOM   4314 C  CE2  . TYR A 1 309 ? -21.185 29.098 0.665   1.00 8.09   ?  309  TYR A CE2  1 
ATOM   4315 C  CZ   . TYR A 1 309 ? -20.942 29.216 -0.684  1.00 8.34   ?  309  TYR A CZ   1 
ATOM   4316 O  OH   . TYR A 1 309 ? -19.767 28.784 -1.253  1.00 11.56  ?  309  TYR A OH   1 
ATOM   4317 H  H    . TYR A 1 309 ? -24.647 33.194 -0.834  1.00 7.57   ?  309  TYR A H    1 
ATOM   4318 H  HA   . TYR A 1 309 ? -25.670 31.302 -0.583  1.00 7.40   ?  309  TYR A HA   1 
ATOM   4319 H  HB2  . TYR A 1 309 ? -24.430 30.928 1.934   1.00 7.48   ?  309  TYR A HB2  1 
ATOM   4320 H  HB3  . TYR A 1 309 ? -25.198 29.815 1.126   1.00 7.49   ?  309  TYR A HB3  1 
ATOM   4321 H  HD1  . TYR A 1 309 ? -23.733 30.672 -1.521  1.00 7.94   ?  309  TYR A HD1  1 
ATOM   4322 H  HD2  . TYR A 1 309 ? -22.533 29.457 2.117   1.00 7.69   ?  309  TYR A HD2  1 
ATOM   4323 H  HE1  . TYR A 1 309 ? -21.739 29.907 -2.400  1.00 8.20   ?  309  TYR A HE1  1 
ATOM   4324 H  HE2  . TYR A 1 309 ? -20.542 28.696 1.226   1.00 8.02   ?  309  TYR A HE2  1 
ATOM   4325 H  HH   . TYR A 1 309 ? -19.628 28.882 -2.088  0.00 12.34  ?  309  TYR A HH   1 
ATOM   4326 N  N    . LEU A 1 310 ? -27.140 33.188 1.223   1.00 7.19   ?  310  LEU A N    1 
ATOM   4327 C  CA   . LEU A 1 310 ? -28.362 33.432 1.974   1.00 7.57   ?  310  LEU A CA   1 
ATOM   4328 C  C    . LEU A 1 310 ? -29.561 32.696 1.418   1.00 7.54   ?  310  LEU A C    1 
ATOM   4329 O  O    . LEU A 1 310 ? -30.447 32.246 2.147   1.00 7.26   ?  310  LEU A O    1 
ATOM   4330 C  CB   . LEU A 1 310 ? -28.624 34.932 2.028   1.00 7.55   ?  310  LEU A CB   1 
ATOM   4331 C  CG   . LEU A 1 310 ? -29.818 35.358 2.878   1.00 7.85   ?  310  LEU A CG   1 
ATOM   4332 C  CD1  . LEU A 1 310 ? -29.549 35.109 4.368   1.00 8.32   ?  310  LEU A CD1  1 
ATOM   4333 C  CD2  . LEU A 1 310 ? -30.133 36.827 2.625   1.00 7.87   ?  310  LEU A CD2  1 
ATOM   4334 H  H    . LEU A 1 310 ? -26.668 33.893 0.885   1.00 7.23   ?  310  LEU A H    1 
ATOM   4335 H  HA   . LEU A 1 310 ? -28.210 33.107 2.891   1.00 7.49   ?  310  LEU A HA   1 
ATOM   4336 H  HB2  . LEU A 1 310 ? -27.823 35.371 2.377   1.00 7.60   ?  310  LEU A HB2  1 
ATOM   4337 H  HB3  . LEU A 1 310 ? -28.763 35.253 1.115   1.00 7.63   ?  310  LEU A HB3  1 
ATOM   4338 H  HG   . LEU A 1 310 ? -30.604 34.822 2.609   1.00 7.85   ?  310  LEU A HG   1 
ATOM   4339 H  HD11 . LEU A 1 310 ? -30.362 35.273 4.876   1.00 8.24   ?  310  LEU A HD11 1 
ATOM   4340 H  HD12 . LEU A 1 310 ? -28.848 35.710 4.677   1.00 8.21   ?  310  LEU A HD12 1 
ATOM   4341 H  HD13 . LEU A 1 310 ? -29.266 34.188 4.501   1.00 8.17   ?  310  LEU A HD13 1 
ATOM   4342 H  HD21 . LEU A 1 310 ? -30.354 36.952 1.688   1.00 7.84   ?  310  LEU A HD21 1 
ATOM   4343 H  HD22 . LEU A 1 310 ? -29.357 37.370 2.852   1.00 7.86   ?  310  LEU A HD22 1 
ATOM   4344 H  HD23 . LEU A 1 310 ? -30.889 37.096 3.175   1.00 7.85   ?  310  LEU A HD23 1 
ATOM   4345 N  N    . ASN A 1 311 ? -29.668 32.640 0.062   1.00 7.43   ?  311  ASN A N    1 
ATOM   4346 C  CA   . ASN A 1 311 ? -30.831 32.002 -0.559  1.00 7.32   ?  311  ASN A CA   1 
ATOM   4347 C  C    . ASN A 1 311 ? -30.583 30.520 -0.817  1.00 7.50   ?  311  ASN A C    1 
ATOM   4348 O  O    . ASN A 1 311 ? -31.356 29.884 -1.549  1.00 8.84   ?  311  ASN A O    1 
ATOM   4349 C  CB   . ASN A 1 311 ? -31.183 32.692 -1.880  1.00 7.50   ?  311  ASN A CB   1 
ATOM   4350 C  CG   . ASN A 1 311 ? -31.634 34.107 -1.669  1.00 7.42   ?  311  ASN A CG   1 
ATOM   4351 O  OD1  . ASN A 1 311 ? -31.169 35.078 -2.316  1.00 9.52   ?  311  ASN A OD1  1 
ATOM   4352 N  ND2  . ASN A 1 311 ? -32.577 34.276 -0.803  1.00 6.92   ?  311  ASN A ND2  1 
ATOM   4353 H  H    . ASN A 1 311 ? -29.020 33.005 -0.469  1.00 7.42   ?  311  ASN A H    1 
ATOM   4354 H  HA   . ASN A 1 311 ? -31.604 32.093 0.046   1.00 7.39   ?  311  ASN A HA   1 
ATOM   4355 H  HB2  . ASN A 1 311 ? -30.397 32.688 -2.463  1.00 7.43   ?  311  ASN A HB2  1 
ATOM   4356 H  HB3  . ASN A 1 311 ? -31.897 32.192 -2.325  1.00 7.41   ?  311  ASN A HB3  1 
ATOM   4357 H  HD21 . ASN A 1 311 ? -33.258 33.711 -0.773  1.00 7.00   ?  311  ASN A HD21 1 
ATOM   4358 H  HD22 . ASN A 1 311 ? -32.534 34.949 -0.232  1.00 6.98   ?  311  ASN A HD22 1 
ATOM   4359 N  N    . GLY A 1 312 ? -29.493 30.003 -0.242  1.00 7.33   ?  312  GLY A N    1 
ATOM   4360 C  CA   . GLY A 1 312 ? -29.065 28.633 -0.409  1.00 7.61   ?  312  GLY A CA   1 
ATOM   4361 C  C    . GLY A 1 312 ? -27.727 28.642 -1.128  1.00 7.84   ?  312  GLY A C    1 
ATOM   4362 O  O    . GLY A 1 312 ? -27.511 29.443 -2.038  1.00 8.47   ?  312  GLY A O    1 
ATOM   4363 H  H    . GLY A 1 312 ? -28.986 30.541 0.292   1.00 7.40   ?  312  GLY A H    1 
ATOM   4364 H  HA2  . GLY A 1 312 ? -28.972 28.207 0.478   1.00 7.59   ?  312  GLY A HA2  1 
ATOM   4365 H  HA3  . GLY A 1 312 ? -29.733 28.133 -0.942  1.00 7.59   ?  312  GLY A HA3  1 
ATOM   4366 N  N    . LYS A 1 313 ? -26.848 27.716 -0.761  1.00 7.50   ?  313  LYS A N    1 
ATOM   4367 C  CA   . LYS A 1 313 ? -25.558 27.608 -1.411  1.00 7.40   ?  313  LYS A CA   1 
ATOM   4368 C  C    . LYS A 1 313 ? -25.806 27.172 -2.839  1.00 8.22   ?  313  LYS A C    1 
ATOM   4369 O  O    . LYS A 1 313 ? -26.436 26.169 -3.085  1.00 9.06   ?  313  LYS A O    1 
ATOM   4370 C  CB   . LYS A 1 313 ? -24.697 26.617 -0.636  1.00 7.69   ?  313  LYS A CB   1 
ATOM   4371 C  CG   . LYS A 1 313 ? -23.366 26.324 -1.293  1.00 8.38   ?  313  LYS A CG   1 
ATOM   4372 C  CD   . LYS A 1 313 ? -22.448 25.584 -0.371  1.00 8.77   ?  313  LYS A CD   1 
ATOM   4373 C  CE   . LYS A 1 313 ? -21.384 24.810 -1.113  1.00 9.62   ?  313  LYS A CE   1 
ATOM   4374 N  NZ   . LYS A 1 313 ? -20.434 24.155 -0.194  1.00 10.43  1  313  LYS A NZ   1 
ATOM   4375 H  H    . LYS A 1 313 ? -27.057 27.133 -0.089  1.00 7.48   ?  313  LYS A H    1 
ATOM   4376 H  HA   . LYS A 1 313 ? -25.125 28.491 -1.408  1.00 7.61   ?  313  LYS A HA   1 
ATOM   4377 H  HB2  . LYS A 1 313 ? -24.534 26.977 0.261   1.00 7.67   ?  313  LYS A HB2  1 
ATOM   4378 H  HB3  . LYS A 1 313 ? -25.193 25.778 -0.540  1.00 7.70   ?  313  LYS A HB3  1 
ATOM   4379 H  HG2  . LYS A 1 313 ? -23.517 25.786 -2.100  1.00 8.26   ?  313  LYS A HG2  1 
ATOM   4380 H  HG3  . LYS A 1 313 ? -22.946 27.168 -1.562  1.00 8.27   ?  313  LYS A HG3  1 
ATOM   4381 H  HD2  . LYS A 1 313 ? -22.015 26.224 0.233   1.00 8.86   ?  313  LYS A HD2  1 
ATOM   4382 H  HD3  . LYS A 1 313 ? -22.974 24.962 0.175   1.00 8.77   ?  313  LYS A HD3  1 
ATOM   4383 H  HE2  . LYS A 1 313 ? -21.806 24.128 -1.670  1.00 9.55   ?  313  LYS A HE2  1 
ATOM   4384 H  HE3  . LYS A 1 313 ? -20.891 25.414 -1.699  1.00 9.56   ?  313  LYS A HE3  1 
ATOM   4385 H  HZ1  . LYS A 1 313 ? -20.877 23.575 0.343   1.00 10.26  ?  313  LYS A HZ1  1 
ATOM   4386 H  HZ2  . LYS A 1 313 ? -20.022 24.780 0.318   1.00 10.25  ?  313  LYS A HZ2  1 
ATOM   4387 H  HZ3  . LYS A 1 313 ? -19.809 23.702 -0.670  1.00 10.18  ?  313  LYS A HZ3  1 
ATOM   4388 N  N    . GLY A 1 314 ? -25.266 27.965 -3.773  1.00 9.80   ?  314  GLY A N    1 
ATOM   4389 C  CA   . GLY A 1 314 ? -25.452 27.725 -5.210  1.00 9.94   ?  314  GLY A CA   1 
ATOM   4390 C  C    . GLY A 1 314 ? -26.585 28.547 -5.790  1.00 10.23  ?  314  GLY A C    1 
ATOM   4391 O  O    . GLY A 1 314 ? -26.724 28.507 -7.035  1.00 12.69  ?  314  GLY A O    1 
ATOM   4392 H  H    . GLY A 1 314 ? -24.761 28.681 -3.513  1.00 9.41   ?  314  GLY A H    1 
ATOM   4393 H  HA2  . GLY A 1 314 ? -24.612 27.949 -5.683  1.00 10.02  ?  314  GLY A HA2  1 
ATOM   4394 H  HA3  . GLY A 1 314 ? -25.637 26.763 -5.357  1.00 9.94   ?  314  GLY A HA3  1 
ATOM   4395 N  N    . ASN A 1 315 ? -27.316 29.310 -4.988  1.00 9.04   ?  315  ASN A N    1 
ATOM   4396 C  CA   . ASN A 1 315 ? -28.335 30.221 -5.466  1.00 8.82   ?  315  ASN A CA   1 
ATOM   4397 C  C    . ASN A 1 315 ? -27.827 31.649 -5.299  1.00 8.73   ?  315  ASN A C    1 
ATOM   4398 O  O    . ASN A 1 315 ? -27.109 31.933 -4.341  1.00 9.55   ?  315  ASN A O    1 
ATOM   4399 C  CB   . ASN A 1 315 ? -29.630 30.095 -4.673  1.00 9.05   ?  315  ASN A CB   1 
ATOM   4400 C  CG   . ASN A 1 315 ? -30.218 28.697 -4.750  1.00 9.55   ?  315  ASN A CG   1 
ATOM   4401 O  OD1  . ASN A 1 315 ? -30.872 28.208 -3.818  1.00 12.75  ?  315  ASN A OD1  1 
ATOM   4402 N  ND2  . ASN A 1 315 ? -29.951 28.034 -5.845  1.00 9.07   ?  315  ASN A ND2  1 
ATOM   4403 H  H    . ASN A 1 315 ? -27.176 29.260 -4.087  1.00 9.19   ?  315  ASN A H    1 
ATOM   4404 H  HA   . ASN A 1 315 ? -28.521 30.045 -6.417  1.00 8.86   ?  315  ASN A HA   1 
ATOM   4405 H  HB2  . ASN A 1 315 ? -29.453 30.318 -3.736  1.00 9.21   ?  315  ASN A HB2  1 
ATOM   4406 H  HB3  . ASN A 1 315 ? -30.281 30.737 -5.022  1.00 8.99   ?  315  ASN A HB3  1 
ATOM   4407 H  HD21 . ASN A 1 315 ? -30.144 28.391 -6.637  1.00 9.17   ?  315  ASN A HD21 1 
ATOM   4408 H  HD22 . ASN A 1 315 ? -29.581 27.226 -5.793  1.00 9.16   ?  315  ASN A HD22 1 
ATOM   4409 N  N    . GLY A 1 316 ? -28.245 32.530 -6.199  1.00 8.47   ?  316  GLY A N    1 
ATOM   4410 C  CA   . GLY A 1 316 ? -27.826 33.912 -6.175  1.00 8.21   ?  316  GLY A CA   1 
ATOM   4411 C  C    . GLY A 1 316 ? -28.770 34.790 -5.371  1.00 8.18   ?  316  GLY A C    1 
ATOM   4412 O  O    . GLY A 1 316 ? -29.389 34.329 -4.395  1.00 8.37   ?  316  GLY A O    1 
ATOM   4413 H  H    . GLY A 1 316 ? -28.818 32.257 -6.857  1.00 8.42   ?  316  GLY A H    1 
ATOM   4414 H  HA2  . GLY A 1 316 ? -26.917 33.970 -5.789  1.00 8.26   ?  316  GLY A HA2  1 
ATOM   4415 H  HA3  . GLY A 1 316 ? -27.783 34.247 -7.106  1.00 8.26   ?  316  GLY A HA3  1 
ATOM   4416 N  N    . ALA A 1 317 ? -28.789 36.075 -5.733  1.00 7.93   ?  317  ALA A N    1 
ATOM   4417 C  CA   . ALA A 1 317 ? -29.468 37.105 -4.977  1.00 7.79   ?  317  ALA A CA   1 
ATOM   4418 C  C    . ALA A 1 317 ? -30.487 37.851 -5.806  1.00 7.46   ?  317  ALA A C    1 
ATOM   4419 O  O    . ALA A 1 317 ? -30.204 38.200 -6.984  1.00 8.89   ?  317  ALA A O    1 
ATOM   4420 C  CB   . ALA A 1 317 ? -28.453 38.086 -4.454  1.00 8.37   ?  317  ALA A CB   1 
ATOM   4421 H  H    . ALA A 1 317 ? -28.353 36.320 -6.498  1.00 7.94   ?  317  ALA A H    1 
ATOM   4422 H  HA   . ALA A 1 317 ? -29.929 36.687 -4.213  1.00 7.78   ?  317  ALA A HA   1 
ATOM   4423 H  HB1  . ALA A 1 317 ? -28.903 38.777 -3.940  1.00 8.22   ?  317  ALA A HB1  1 
ATOM   4424 H  HB2  . ALA A 1 317 ? -27.816 37.623 -3.884  1.00 8.23   ?  317  ALA A HB2  1 
ATOM   4425 H  HB3  . ALA A 1 317 ? -27.981 38.494 -5.199  1.00 8.22   ?  317  ALA A HB3  1 
ATOM   4426 N  N    . ARG A 1 318 ? -31.632 38.157 -5.239  1.00 7.28   ?  318  ARG A N    1 
ATOM   4427 C  CA   . ARG A 1 318 ? -32.589 39.035 -5.901  1.00 7.25   ?  318  ARG A CA   1 
ATOM   4428 C  C    . ARG A 1 318 ? -31.950 40.398 -6.202  1.00 7.71   ?  318  ARG A C    1 
ATOM   4429 O  O    . ARG A 1 318 ? -32.157 40.991 -7.247  1.00 8.44   ?  318  ARG A O    1 
ATOM   4430 C  CB   . ARG A 1 318 ? -33.799 39.235 -5.011  1.00 7.28   ?  318  ARG A CB   1 
ATOM   4431 C  CG   . ARG A 1 318 ? -34.566 37.956 -4.709  1.00 7.48   ?  318  ARG A CG   1 
ATOM   4432 C  CD   . ARG A 1 318 ? -35.538 38.178 -3.551  1.00 7.86   ?  318  ARG A CD   1 
ATOM   4433 N  NE   . ARG A 1 318 ? -36.191 36.968 -3.118  1.00 8.02   ?  318  ARG A NE   1 
ATOM   4434 C  CZ   . ARG A 1 318 ? -35.604 36.011 -2.422  1.00 7.89   ?  318  ARG A CZ   1 
ATOM   4435 N  NH1  . ARG A 1 318 ? -34.390 36.168 -1.946  1.00 7.73   1  318  ARG A NH1  1 
ATOM   4436 N  NH2  . ARG A 1 318 ? -36.290 34.908 -2.127  1.00 7.99   ?  318  ARG A NH2  1 
ATOM   4437 H  H    . ARG A 1 318 ? -31.836 37.813 -4.417  1.00 7.32   ?  318  ARG A H    1 
ATOM   4438 H  HA   . ARG A 1 318 ? -32.872 38.616 -6.747  1.00 7.34   ?  318  ARG A HA   1 
ATOM   4439 H  HB2  . ARG A 1 318 ? -33.501 39.632 -4.166  1.00 7.33   ?  318  ARG A HB2  1 
ATOM   4440 H  HB3  . ARG A 1 318 ? -34.404 39.871 -5.445  1.00 7.36   ?  318  ARG A HB3  1 
ATOM   4441 H  HG2  . ARG A 1 318 ? -35.067 37.676 -5.503  1.00 7.48   ?  318  ARG A HG2  1 
ATOM   4442 H  HG3  . ARG A 1 318 ? -33.939 37.240 -4.475  1.00 7.46   ?  318  ARG A HG3  1 
ATOM   4443 H  HD2  . ARG A 1 318 ? -35.051 38.567 -2.794  1.00 7.81   ?  318  ARG A HD2  1 
ATOM   4444 H  HD3  . ARG A 1 318 ? -36.220 38.825 -3.828  1.00 7.78   ?  318  ARG A HD3  1 
ATOM   4445 H  HE   . ARG A 1 318 ? -37.030 36.859 -3.331  1.00 7.91   ?  318  ARG A HE   1 
ATOM   4446 H  HH11 . ARG A 1 318 ? -33.802 36.666 -2.377  1.00 7.72   ?  318  ARG A HH11 1 
ATOM   4447 H  HH12 . ARG A 1 318 ? -34.173 35.779 -1.191  1.00 7.71   ?  318  ARG A HH12 1 
ATOM   4448 H  HH21 . ARG A 1 318 ? -35.900 34.256 -1.684  1.00 7.98   ?  318  ARG A HH21 1 
ATOM   4449 H  HH22 . ARG A 1 318 ? -37.130 34.832 -2.374  1.00 7.97   ?  318  ARG A HH22 1 
ATOM   4450 N  N    . TYR A 1 319 ? -31.192 40.908 -5.232  1.00 8.27   ?  319  TYR A N    1 
ATOM   4451 C  CA   . TYR A 1 319 ? -30.768 42.301 -5.262  1.00 8.11   ?  319  TYR A CA   1 
ATOM   4452 C  C    . TYR A 1 319 ? -29.961 42.642 -6.508  1.00 8.35   ?  319  TYR A C    1 
ATOM   4453 O  O    . TYR A 1 319 ? -30.100 43.746 -7.017  1.00 9.10   ?  319  TYR A O    1 
ATOM   4454 C  CB   . TYR A 1 319 ? -29.978 42.629 -4.008  1.00 8.65   ?  319  TYR A CB   1 
ATOM   4455 C  CG   . TYR A 1 319 ? -29.735 44.092 -3.822  1.00 8.94   ?  319  TYR A CG   1 
ATOM   4456 C  CD1  . TYR A 1 319 ? -30.754 44.949 -3.445  1.00 9.43   ?  319  TYR A CD1  1 
ATOM   4457 C  CD2  . TYR A 1 319 ? -28.485 44.634 -4.084  1.00 10.72  ?  319  TYR A CD2  1 
ATOM   4458 C  CE1  . TYR A 1 319 ? -30.535 46.315 -3.339  1.00 10.17  ?  319  TYR A CE1  1 
ATOM   4459 C  CE2  . TYR A 1 319 ? -28.239 45.986 -3.905  1.00 10.52  ?  319  TYR A CE2  1 
ATOM   4460 C  CZ   . TYR A 1 319 ? -29.285 46.828 -3.580  1.00 11.20  ?  319  TYR A CZ   1 
ATOM   4461 O  OH   . TYR A 1 319 ? -29.079 48.174 -3.465  1.00 15.90  ?  319  TYR A OH   1 
ATOM   4462 H  H    . TYR A 1 319 ? -30.934 40.381 -4.531  1.00 8.04   ?  319  TYR A H    1 
ATOM   4463 H  HA   . TYR A 1 319 ? -31.582 42.867 -5.266  1.00 8.23   ?  319  TYR A HA   1 
ATOM   4464 H  HB2  . TYR A 1 319 ? -30.467 42.287 -3.231  1.00 8.59   ?  319  TYR A HB2  1 
ATOM   4465 H  HB3  . TYR A 1 319 ? -29.117 42.164 -4.050  1.00 8.61   ?  319  TYR A HB3  1 
ATOM   4466 H  HD1  . TYR A 1 319 ? -31.621 44.607 -3.305  1.00 9.36   ?  319  TYR A HD1  1 
ATOM   4467 H  HD2  . TYR A 1 319 ? -27.774 44.063 -4.322  1.00 10.06  ?  319  TYR A HD2  1 
ATOM   4468 H  HE1  . TYR A 1 319 ? -31.240 46.889 -3.086  1.00 10.14  ?  319  TYR A HE1  1 
ATOM   4469 H  HE2  . TYR A 1 319 ? -27.390 46.344 -4.103  1.00 10.64  ?  319  TYR A HE2  1 
ATOM   4470 H  HH   . TYR A 1 319 ? -29.737 48.688 -3.242  0.00 17.00  ?  319  TYR A HH   1 
ATOM   4471 N  N    . ASP A 1 320 ? -29.114 41.702 -6.942  1.00 8.31   ?  320  ASP A N    1 
ATOM   4472 C  CA   . ASP A 1 320 ? -28.264 41.947 -8.083  1.00 8.72   ?  320  ASP A CA   1 
ATOM   4473 C  C    . ASP A 1 320 ? -28.740 41.190 -9.307  1.00 9.11   ?  320  ASP A C    1 
ATOM   4474 O  O    . ASP A 1 320 ? -28.009 41.135 -10.287 1.00 10.89  ?  320  ASP A O    1 
ATOM   4475 C  CB   . ASP A 1 320 ? -26.816 41.635 -7.799  1.00 9.14   ?  320  ASP A CB   1 
ATOM   4476 C  CG   . ASP A 1 320 ? -26.503 40.175 -7.572  1.00 9.81   ?  320  ASP A CG   1 
ATOM   4477 O  OD1  . ASP A 1 320 ? -27.444 39.331 -7.641  1.00 9.55   ?  320  ASP A OD1  1 
ATOM   4478 O  OD2  . ASP A 1 320 ? -25.308 39.885 -7.351  1.00 13.41  -1 320  ASP A OD2  1 
ATOM   4479 H  H    . ASP A 1 320 ? -29.065 40.895 -6.515  1.00 8.34   ?  320  ASP A H    1 
ATOM   4480 H  HA   . ASP A 1 320 ? -28.316 42.906 -8.292  1.00 8.71   ?  320  ASP A HA   1 
ATOM   4481 H  HB2  . ASP A 1 320 ? -26.271 41.949 -8.550  1.00 9.12   ?  320  ASP A HB2  1 
ATOM   4482 H  HB3  . ASP A 1 320 ? -26.541 42.129 -7.000  1.00 9.08   ?  320  ASP A HB3  1 
ATOM   4483 N  N    . GLY A 1 321 ? -29.976 40.726 -9.299  1.00 8.60   ?  321  GLY A N    1 
ATOM   4484 C  CA   . GLY A 1 321 ? -30.538 40.101 -10.491 1.00 8.99   ?  321  GLY A CA   1 
ATOM   4485 C  C    . GLY A 1 321 ? -30.148 38.656 -10.721 1.00 9.04   ?  321  GLY A C    1 
ATOM   4486 O  O    . GLY A 1 321 ? -30.432 38.149 -11.791 1.00 11.36  ?  321  GLY A O    1 
ATOM   4487 H  H    . GLY A 1 321 ? -30.491 40.793 -8.548  1.00 8.74   ?  321  GLY A H    1 
ATOM   4488 H  HA2  . GLY A 1 321 ? -31.523 40.153 -10.426 1.00 8.91   ?  321  GLY A HA2  1 
ATOM   4489 H  HA3  . GLY A 1 321 ? -30.271 40.633 -11.282 1.00 8.92   ?  321  GLY A HA3  1 
ATOM   4490 N  N    . SER A 1 322 ? -29.526 37.977 -9.762  1.00 8.66   ?  322  SER A N    1 
ATOM   4491 C  CA   . SER A 1 322 ? -29.024 36.629 -9.976  1.00 8.59   ?  322  SER A CA   1 
ATOM   4492 C  C    . SER A 1 322 ? -29.906 35.565 -9.304  1.00 8.75   ?  322  SER A C    1 
ATOM   4493 O  O    . SER A 1 322 ? -29.492 34.431 -9.198  1.00 11.53  ?  322  SER A O    1 
ATOM   4494 C  CB   . SER A 1 322 ? -27.581 36.548 -9.499  1.00 8.91   ?  322  SER A CB   1 
ATOM   4495 O  OG   . SER A 1 322 ? -27.401 36.814 -8.117  1.00 9.27   ?  322  SER A OG   1 
ATOM   4496 H  H    . SER A 1 322 ? -29.413 38.361 -8.940  1.00 8.72   ?  322  SER A H    1 
ATOM   4497 H  HA   . SER A 1 322 ? -29.031 36.451 -10.955 1.00 8.66   ?  322  SER A HA   1 
ATOM   4498 H  HB2  . SER A 1 322 ? -27.233 35.649 -9.696  1.00 8.88   ?  322  SER A HB2  1 
ATOM   4499 H  HB3  . SER A 1 322 ? -27.044 37.191 -10.015 1.00 8.91   ?  322  SER A HB3  1 
ATOM   4500 H  HG   . SER A 1 322 ? -27.455 36.080 -7.690  0.00 9.51   ?  322  SER A HG   1 
ATOM   4501 N  N    . TYR A 1 323 ? -31.110 35.936 -8.907  1.00 8.18   ?  323  TYR A N    1 
ATOM   4502 C  CA   . TYR A 1 323 ? -32.115 35.035 -8.380  1.00 8.07   ?  323  TYR A CA   1 
ATOM   4503 C  C    . TYR A 1 323 ? -33.448 35.282 -9.070  1.00 7.66   ?  323  TYR A C    1 
ATOM   4504 O  O    . TYR A 1 323 ? -33.864 36.434 -9.136  1.00 7.63   ?  323  TYR A O    1 
ATOM   4505 C  CB   . TYR A 1 323 ? -32.246 35.236 -6.857  1.00 8.73   ?  323  TYR A CB   1 
ATOM   4506 C  CG   . TYR A 1 323 ? -33.135 34.271 -6.131  1.00 9.01   ?  323  TYR A CG   1 
ATOM   4507 C  CD1  . TYR A 1 323 ? -34.479 34.511 -5.975  1.00 9.66   ?  323  TYR A CD1  1 
ATOM   4508 C  CD2  . TYR A 1 323 ? -32.610 33.120 -5.566  1.00 9.30   ?  323  TYR A CD2  1 
ATOM   4509 C  CE1  . TYR A 1 323 ? -35.305 33.628 -5.294  1.00 10.30  ?  323  TYR A CE1  1 
ATOM   4510 C  CE2  . TYR A 1 323 ? -33.431 32.239 -4.906  1.00 10.47  ?  323  TYR A CE2  1 
ATOM   4511 C  CZ   . TYR A 1 323 ? -34.765 32.497 -4.746  1.00 10.85  ?  323  TYR A CZ   1 
ATOM   4512 O  OH   . TYR A 1 323 ? -35.557 31.603 -4.035  1.00 14.35  ?  323  TYR A OH   1 
ATOM   4513 H  H    . TYR A 1 323 ? -31.326 36.821 -8.963  1.00 8.19   ?  323  TYR A H    1 
ATOM   4514 H  HA   . TYR A 1 323 ? -31.835 34.101 -8.555  1.00 8.07   ?  323  TYR A HA   1 
ATOM   4515 H  HB2  . TYR A 1 323 ? -31.349 35.185 -6.467  1.00 8.63   ?  323  TYR A HB2  1 
ATOM   4516 H  HB3  . TYR A 1 323 ? -32.582 36.142 -6.701  1.00 8.63   ?  323  TYR A HB3  1 
ATOM   4517 H  HD1  . TYR A 1 323 ? -34.852 35.296 -6.341  1.00 9.65   ?  323  TYR A HD1  1 
ATOM   4518 H  HD2  . TYR A 1 323 ? -31.692 32.925 -5.660  1.00 9.39   ?  323  TYR A HD2  1 
ATOM   4519 H  HE1  . TYR A 1 323 ? -36.215 33.811 -5.183  1.00 10.20  ?  323  TYR A HE1  1 
ATOM   4520 H  HE2  . TYR A 1 323 ? -33.062 31.462 -4.518  1.00 10.11  ?  323  TYR A HE2  1 
ATOM   4521 H  HH   . TYR A 1 323 ? -36.401 31.759 -3.949  0.00 15.05  ?  323  TYR A HH   1 
ATOM   4522 N  N    . ALA A 1 324 ? -34.084 34.211 -9.529  1.00 7.14   ?  324  ALA A N    1 
ATOM   4523 C  CA   . ALA A 1 324 ? -35.459 34.202 -10.020 1.00 8.14   ?  324  ALA A CA   1 
ATOM   4524 C  C    . ALA A 1 324 ? -35.711 35.148 -11.195 1.00 7.96   ?  324  ALA A C    1 
ATOM   4525 O  O    . ALA A 1 324 ? -36.868 35.502 -11.441 1.00 8.58   ?  324  ALA A O    1 
ATOM   4526 C  CB   . ALA A 1 324 ? -36.403 34.488 -8.893  1.00 8.83   ?  324  ALA A CB   1 
ATOM   4527 H  H    . ALA A 1 324 ? -33.628 33.420 -9.541  1.00 7.28   ?  324  ALA A H    1 
ATOM   4528 H  HA   . ALA A 1 324 ? -35.646 33.288 -10.338 1.00 7.99   ?  324  ALA A HA   1 
ATOM   4529 H  HB1  . ALA A 1 324 ? -37.318 34.363 -9.195  1.00 8.66   ?  324  ALA A HB1  1 
ATOM   4530 H  HB2  . ALA A 1 324 ? -36.221 33.883 -8.155  1.00 8.66   ?  324  ALA A HB2  1 
ATOM   4531 H  HB3  . ALA A 1 324 ? -36.286 35.406 -8.594  1.00 8.65   ?  324  ALA A HB3  1 
ATOM   4532 N  N    . ALA A 1 325 ? -34.675 35.524 -11.950 1.00 8.87   ?  325  ALA A N    1 
ATOM   4533 C  CA   . ALA A 1 325 ? -34.799 36.461 -13.072 1.00 9.37   ?  325  ALA A CA   1 
ATOM   4534 C  C    . ALA A 1 325 ? -35.287 37.839 -12.606 1.00 9.54   ?  325  ALA A C    1 
ATOM   4535 O  O    . ALA A 1 325 ? -35.857 38.611 -13.372 1.00 11.01  ?  325  ALA A O    1 
ATOM   4536 C  CB   . ALA A 1 325 ? -35.722 35.949 -14.150 1.00 9.93   ?  325  ALA A CB   1 
ATOM   4537 H  H    . ALA A 1 325 ? -33.850 35.172 -11.773 1.00 8.64   ?  325  ALA A H    1 
ATOM   4538 H  HA   . ALA A 1 325 ? -33.903 36.578 -13.466 1.00 9.33   ?  325  ALA A HA   1 
ATOM   4539 H  HB1  . ALA A 1 325 ? -35.613 36.487 -14.953 1.00 9.80   ?  325  ALA A HB1  1 
ATOM   4540 H  HB2  . ALA A 1 325 ? -35.504 35.023 -14.351 1.00 9.75   ?  325  ALA A HB2  1 
ATOM   4541 H  HB3  . ALA A 1 325 ? -36.644 36.006 -13.847 1.00 9.74   ?  325  ALA A HB3  1 
ATOM   4542 N  N    . ASP A 1 326 ? -35.089 38.155 -11.343 1.00 9.18   ?  326  ASP A N    1 
ATOM   4543 C  CA   . ASP A 1 326 ? -35.384 39.491 -10.845 1.00 9.35   ?  326  ASP A CA   1 
ATOM   4544 C  C    . ASP A 1 326 ? -34.493 40.496 -11.549 1.00 10.83  ?  326  ASP A C    1 
ATOM   4545 O  O    . ASP A 1 326 ? -33.378 40.208 -11.954 1.00 11.53  ?  326  ASP A O    1 
ATOM   4546 C  CB   . ASP A 1 326 ? -35.154 39.617 -9.352  1.00 9.71   ?  326  ASP A CB   1 
ATOM   4547 C  CG   . ASP A 1 326 ? -36.281 39.072 -8.508  1.00 11.69  ?  326  ASP A CG   1 
ATOM   4548 O  OD1  . ASP A 1 326 ? -37.386 38.898 -9.014  1.00 10.80  ?  326  ASP A OD1  1 
ATOM   4549 O  OD2  . ASP A 1 326 ? -36.007 38.859 -7.327  1.00 18.21  -1 326  ASP A OD2  1 
ATOM   4550 H  H    . ASP A 1 326 ? -34.747 37.536 -10.765 1.00 9.23   ?  326  ASP A H    1 
ATOM   4551 H  HA   . ASP A 1 326 ? -36.326 39.702 -11.045 1.00 9.54   ?  326  ASP A HA   1 
ATOM   4552 H  HB2  . ASP A 1 326 ? -34.333 39.140 -9.114  1.00 9.91   ?  326  ASP A HB2  1 
ATOM   4553 H  HB3  . ASP A 1 326 ? -35.033 40.562 -9.125  1.00 9.87   ?  326  ASP A HB3  1 
ATOM   4554 N  N    . LYS A 1 327 ? -35.010 41.711 -11.643 1.00 11.88  ?  327  LYS A N    1 
ATOM   4555 C  CA   . LYS A 1 327 ? -34.253 42.819 -12.225 1.00 14.56  ?  327  LYS A CA   1 
ATOM   4556 C  C    . LYS A 1 327 ? -33.352 43.401 -11.149 1.00 13.05  ?  327  LYS A C    1 
ATOM   4557 O  O    . LYS A 1 327 ? -33.823 43.757 -10.066 1.00 14.00  ?  327  LYS A O    1 
ATOM   4558 C  CB   . LYS A 1 327 ? -35.193 43.871 -12.823 1.00 17.54  ?  327  LYS A CB   1 
ATOM   4559 C  CG   . LYS A 1 327 ? -34.511 45.102 -13.406 1.00 22.75  ?  327  LYS A CG   1 
ATOM   4560 C  CD   . LYS A 1 327 ? -35.504 46.110 -13.979 1.00 28.83  ?  327  LYS A CD   1 
ATOM   4561 C  CE   . LYS A 1 327 ? -34.913 47.464 -14.305 1.00 34.68  ?  327  LYS A CE   1 
ATOM   4562 N  NZ   . LYS A 1 327 ? -34.383 47.493 -15.689 1.00 42.38  1  327  LYS A NZ   1 
ATOM   4563 H  H    . LYS A 1 327 ? -35.858 41.868 -11.338 1.00 12.03  ?  327  LYS A H    1 
ATOM   4564 H  HA   . LYS A 1 327 ? -33.689 42.460 -12.948 1.00 14.00  ?  327  LYS A HA   1 
ATOM   4565 H  HB2  . LYS A 1 327 ? -35.721 43.445 -13.531 1.00 17.33  ?  327  LYS A HB2  1 
ATOM   4566 H  HB3  . LYS A 1 327 ? -35.815 44.162 -12.124 1.00 17.55  ?  327  LYS A HB3  1 
ATOM   4567 H  HG2  . LYS A 1 327 ? -33.983 45.538 -12.704 1.00 22.01  ?  327  LYS A HG2  1 
ATOM   4568 H  HG3  . LYS A 1 327 ? -33.896 44.819 -14.116 1.00 21.95  ?  327  LYS A HG3  1 
ATOM   4569 H  HD2  . LYS A 1 327 ? -35.895 45.735 -14.797 1.00 28.27  ?  327  LYS A HD2  1 
ATOM   4570 H  HD3  . LYS A 1 327 ? -36.233 46.235 -13.333 1.00 28.16  ?  327  LYS A HD3  1 
ATOM   4571 H  HE2  . LYS A 1 327 ? -35.600 48.152 -14.212 1.00 34.49  ?  327  LYS A HE2  1 
ATOM   4572 H  HE3  . LYS A 1 327 ? -34.192 47.668 -13.680 1.00 34.27  ?  327  LYS A HE3  1 
ATOM   4573 H  HZ1  . LYS A 1 327 ? -35.058 47.366 -16.281 1.00 40.27  ?  327  LYS A HZ1  1 
ATOM   4574 H  HZ2  . LYS A 1 327 ? -33.766 46.836 -15.796 1.00 40.24  ?  327  LYS A HZ2  1 
ATOM   4575 H  HZ3  . LYS A 1 327 ? -33.992 48.295 -15.852 1.00 40.52  ?  327  LYS A HZ3  1 
ATOM   4576 N  N    . ALA A 1 328 ? -32.061 43.518 -11.461 1.00 12.65  ?  328  ALA A N    1 
ATOM   4577 C  CA   . ALA A 1 328 ? -31.083 44.009 -10.505 1.00 12.12  ?  328  ALA A CA   1 
ATOM   4578 C  C    . ALA A 1 328 ? -31.478 45.409 -10.040 1.00 12.87  ?  328  ALA A C    1 
ATOM   4579 O  O    . ALA A 1 328 ? -31.821 46.269 -10.852 1.00 15.23  ?  328  ALA A O    1 
ATOM   4580 C  CB   . ALA A 1 328 ? -29.715 44.012 -11.173 1.00 14.46  ?  328  ALA A CB   1 
ATOM   4581 H  H    . ALA A 1 328 ? -31.778 43.284 -12.298 1.00 12.44  ?  328  ALA A H    1 
ATOM   4582 H  HA   . ALA A 1 328 ? -31.065 43.402 -9.729  1.00 12.42  ?  328  ALA A HA   1 
ATOM   4583 H  HB1  . ALA A 1 328 ? -29.049 44.341 -10.547 1.00 13.94  ?  328  ALA A HB1  1 
ATOM   4584 H  HB2  . ALA A 1 328 ? -29.484 43.108 -11.445 1.00 13.83  ?  328  ALA A HB2  1 
ATOM   4585 H  HB3  . ALA A 1 328 ? -29.736 44.588 -11.955 1.00 13.98  ?  328  ALA A HB3  1 
ATOM   4586 N  N    . ILE A 1 329 ? -31.366 45.606 -8.738  1.00 12.16  ?  329  ILE A N    1 
ATOM   4587 C  CA   . ILE A 1 329 ? -31.494 46.902 -8.107  1.00 13.89  ?  329  ILE A CA   1 
ATOM   4588 C  C    . ILE A 1 329 ? -30.121 47.512 -7.897  1.00 14.86  ?  329  ILE A C    1 
ATOM   4589 O  O    . ILE A 1 329 ? -29.990 48.731 -7.896  1.00 20.34  ?  329  ILE A O    1 
ATOM   4590 C  CB   . ILE A 1 329 ? -32.173 46.722 -6.742  1.00 14.79  ?  329  ILE A CB   1 
ATOM   4591 C  CG1  . ILE A 1 329 ? -33.613 46.267 -6.951  1.00 17.13  ?  329  ILE A CG1  1 
ATOM   4592 C  CG2  . ILE A 1 329 ? -32.123 48.033 -5.977  1.00 16.19  ?  329  ILE A CG2  1 
ATOM   4593 C  CD1  . ILE A 1 329 ? -34.214 45.725 -5.743  1.00 16.14  ?  329  ILE A CD1  1 
ATOM   4594 H  H    . ILE A 1 329 ? -31.210 44.882 -8.203  1.00 12.48  ?  329  ILE A H    1 
ATOM   4595 H  HA   . ILE A 1 329 ? -32.035 47.490 -8.665  1.00 13.88  ?  329  ILE A HA   1 
ATOM   4596 H  HB   . ILE A 1 329 ? -31.688 46.029 -6.230  1.00 15.04  ?  329  ILE A HB   1 
ATOM   4597 H  HG12 . ILE A 1 329 ? -34.147 47.031 -7.258  1.00 16.50  ?  329  ILE A HG12 1 
ATOM   4598 H  HG13 . ILE A 1 329 ? -33.635 45.580 -7.651  1.00 16.36  ?  329  ILE A HG13 1 
ATOM   4599 H  HG21 . ILE A 1 329 ? -32.376 48.766 -6.566  1.00 16.00  ?  329  ILE A HG21 1 
ATOM   4600 H  HG22 . ILE A 1 329 ? -31.221 48.184 -5.643  1.00 15.90  ?  329  ILE A HG22 1 
ATOM   4601 H  HG23 . ILE A 1 329 ? -32.739 47.998 -5.224  1.00 15.92  ?  329  ILE A HG23 1 
ATOM   4602 H  HD11 . ILE A 1 329 ? -34.211 46.401 -5.044  1.00 16.37  ?  329  ILE A HD11 1 
ATOM   4603 H  HD12 . ILE A 1 329 ? -33.704 44.952 -5.445  1.00 16.26  ?  329  ILE A HD12 1 
ATOM   4604 H  HD13 . ILE A 1 329 ? -35.130 45.456 -5.928  1.00 16.35  ?  329  ILE A HD13 1 
ATOM   4605 N  N    . GLY A 1 330 ? -29.156 46.673 -7.547  1.00 12.92  ?  330  GLY A N    1 
ATOM   4606 C  CA   . GLY A 1 330 ? -27.839 47.164 -7.188  1.00 13.96  ?  330  GLY A CA   1 
ATOM   4607 C  C    . GLY A 1 330 ? -26.864 46.010 -7.315  1.00 12.72  ?  330  GLY A C    1 
ATOM   4608 O  O    . GLY A 1 330 ? -27.227 44.971 -7.840  1.00 18.49  ?  330  GLY A O    1 
ATOM   4609 H  H    . GLY A 1 330 ? -29.317 45.774 -7.519  1.00 13.29  ?  330  GLY A H    1 
ATOM   4610 H  HA2  . GLY A 1 330 ? -27.576 47.897 -7.799  1.00 13.66  ?  330  GLY A HA2  1 
ATOM   4611 H  HA3  . GLY A 1 330 ? -27.850 47.501 -6.258  1.00 13.51  ?  330  GLY A HA3  1 
ATOM   4612 N  N    . ASP A 1 331 ? -25.650 46.195 -6.842  1.00 14.62  ?  331  ASP A N    1 
ATOM   4613 C  CA   . ASP A 1 331 ? -24.635 45.149 -6.830  1.00 13.91  ?  331  ASP A CA   1 
ATOM   4614 C  C    . ASP A 1 331 ? -24.495 44.603 -5.400  1.00 12.21  ?  331  ASP A C    1 
ATOM   4615 O  O    . ASP A 1 331 ? -24.834 45.284 -4.412  1.00 12.22  ?  331  ASP A O    1 
ATOM   4616 C  CB   . ASP A 1 331 ? -23.311 45.741 -7.289  1.00 14.99  ?  331  ASP A CB   1 
ATOM   4617 C  CG   . ASP A 1 331 ? -22.796 46.726 -6.247  1.00 15.78  ?  331  ASP A CG   1 
ATOM   4618 O  OD1  . ASP A 1 331 ? -22.129 46.280 -5.281  1.00 19.70  ?  331  ASP A OD1  1 
ATOM   4619 O  OD2  . ASP A 1 331 ? -23.080 47.945 -6.392  1.00 20.51  -1 331  ASP A OD2  1 
ATOM   4620 H  H    . ASP A 1 331 ? -25.434 47.016 -6.503  1.00 14.02  ?  331  ASP A H    1 
ATOM   4621 H  HA   . ASP A 1 331 ? -24.901 44.421 -7.440  1.00 13.76  ?  331  ASP A HA   1 
ATOM   4622 H  HB2  . ASP A 1 331 ? -22.651 45.028 -7.412  1.00 14.86  ?  331  ASP A HB2  1 
ATOM   4623 H  HB3  . ASP A 1 331 ? -23.431 46.207 -8.142  1.00 14.92  ?  331  ASP A HB3  1 
ATOM   4624 N  N    . CYS A 1 332 ? -24.009 43.358 -5.315  1.00 10.84  ?  332  CYS A N    1 
ATOM   4625 C  CA   . CYS A 1 332 ? -23.833 42.677 -4.036  1.00 10.54  ?  332  CYS A CA   1 
ATOM   4626 C  C    . CYS A 1 332 ? -22.372 42.650 -3.578  1.00 11.36  ?  332  CYS A C    1 
ATOM   4627 O  O    . CYS A 1 332 ? -22.083 42.018 -2.569  1.00 13.56  ?  332  CYS A O    1 
ATOM   4628 C  CB   . CYS A 1 332 ? -24.383 41.256 -4.099  1.00 10.71  ?  332  CYS A CB   1 
ATOM   4629 S  SG   . CYS A 1 332 ? -26.193 41.237 -3.969  1.00 10.22  ?  332  CYS A SG   1 
ATOM   4630 H  H    . CYS A 1 332 ? -23.776 42.918 -6.082  1.00 10.85  ?  332  CYS A H    1 
ATOM   4631 H  HA   . CYS A 1 332 ? -24.348 43.172 -3.362  1.00 10.73  ?  332  CYS A HA   1 
ATOM   4632 H  HB2  . CYS A 1 332 ? -24.121 40.842 -4.947  1.00 10.51  ?  332  CYS A HB2  1 
ATOM   4633 H  HB3  . CYS A 1 332 ? -24.009 40.723 -3.369  1.00 10.54  ?  332  CYS A HB3  1 
ATOM   4634 N  N    . SER A 1 333 ? -21.507 43.434 -4.241  1.00 14.64  ?  333  SER A N    1 
ATOM   4635 C  CA   . SER A 1 333 ? -20.055 43.458 -4.062  1.00 17.42  ?  333  SER A CA   1 
ATOM   4636 C  C    . SER A 1 333 ? -19.625 43.794 -2.631  1.00 16.83  ?  333  SER A C    1 
ATOM   4637 O  O    . SER A 1 333 ? -18.552 43.404 -2.217  1.00 23.85  ?  333  SER A O    1 
ATOM   4638 C  CB   . SER A 1 333 ? -19.493 44.425 -5.135  1.00 20.06  ?  333  SER A CB   1 
ATOM   4639 O  OG   . SER A 1 333 ? -20.193 44.266 -6.408  1.00 25.64  ?  333  SER A OG   1 
ATOM   4640 H  H    . SER A 1 333 ? -21.858 44.012 -4.855  1.00 14.23  ?  333  SER A H    1 
ATOM   4641 H  HA   . SER A 1 333 ? -19.716 42.546 -4.268  1.00 16.98  ?  333  SER A HA   1 
ATOM   4642 H  HB2  . SER A 1 333 ? -19.591 45.352 -4.821  1.00 20.11  ?  333  SER A HB2  1 
ATOM   4643 H  HB3  . SER A 1 333 ? -18.534 44.245 -5.264  1.00 19.75  ?  333  SER A HB3  1 
ATOM   4644 H  HG   . SER A 1 333 ? -20.851 44.785 -6.427  0.00 29.15  ?  333  SER A HG   1 
ATOM   4645 N  N    . SER A 1 334 ? -20.358 44.667 -1.984  1.00 12.17  ?  334  SER A N    1 
ATOM   4646 C  CA   . SER A 1 334 ? -20.000 45.143 -0.658  1.00 12.24  ?  334  SER A CA   1 
ATOM   4647 C  C    . SER A 1 334 ? -20.750 44.368 0.425   1.00 9.93   ?  334  SER A C    1 
ATOM   4648 O  O    . SER A 1 334 ? -20.254 44.242 1.522   1.00 11.02  ?  334  SER A O    1 
ATOM   4649 C  CB   . SER A 1 334 ? -20.316 46.639 -0.470  1.00 15.85  ?  334  SER A CB   1 
ATOM   4650 O  OG   . SER A 1 334 ? -19.573 47.450 -1.349  1.00 23.12  ?  334  SER A OG   1 
ATOM   4651 H  H    . SER A 1 334 ? -21.112 44.999 -2.378  1.00 12.76  ?  334  SER A H    1 
ATOM   4652 H  HA   . SER A 1 334 ? -19.024 45.006 -0.525  1.00 12.01  ?  334  SER A HA   1 
ATOM   4653 H  HB2  . SER A 1 334 ? -21.276 46.789 -0.625  1.00 15.56  ?  334  SER A HB2  1 
ATOM   4654 H  HB3  . SER A 1 334 ? -20.115 46.898 0.458   1.00 15.71  ?  334  SER A HB3  1 
ATOM   4655 H  HG   . SER A 1 334 ? -19.964 47.551 -2.086  0.00 26.07  ?  334  SER A HG   1 
ATOM   4656 N  N    . LEU A 1 335 ? -21.971 43.914 0.167   1.00 8.34   ?  335  LEU A N    1 
ATOM   4657 C  CA   . LEU A 1 335 ? -22.849 43.440 1.206   1.00 8.14   ?  335  LEU A CA   1 
ATOM   4658 C  C    . LEU A 1 335 ? -22.837 41.920 1.303   1.00 7.38   ?  335  LEU A C    1 
ATOM   4659 O  O    . LEU A 1 335 ? -23.551 41.350 2.114   1.00 8.05   ?  335  LEU A O    1 
ATOM   4660 C  CB   . LEU A 1 335 ? -24.260 43.978 0.946   1.00 8.13   ?  335  LEU A CB   1 
ATOM   4661 C  CG   . LEU A 1 335 ? -24.404 45.482 1.197   1.00 8.59   ?  335  LEU A CG   1 
ATOM   4662 C  CD1  . LEU A 1 335 ? -25.748 45.967 0.648   1.00 9.37   ?  335  LEU A CD1  1 
ATOM   4663 C  CD2  . LEU A 1 335 ? -24.219 45.844 2.655   1.00 8.74   ?  335  LEU A CD2  1 
ATOM   4664 H  H    . LEU A 1 335 ? -22.268 43.898 -0.696  1.00 8.53   ?  335  LEU A H    1 
ATOM   4665 H  HA   . LEU A 1 335 ? -22.527 43.799 2.063   1.00 8.04   ?  335  LEU A HA   1 
ATOM   4666 H  HB2  . LEU A 1 335 ? -24.501 43.788 0.018   1.00 8.30   ?  335  LEU A HB2  1 
ATOM   4667 H  HB3  . LEU A 1 335 ? -24.889 43.502 1.523   1.00 8.17   ?  335  LEU A HB3  1 
ATOM   4668 H  HG   . LEU A 1 335 ? -23.692 45.939 0.685   1.00 8.67   ?  335  LEU A HG   1 
ATOM   4669 H  HD11 . LEU A 1 335 ? -25.762 46.939 0.634   1.00 9.16   ?  335  LEU A HD11 1 
ATOM   4670 H  HD12 . LEU A 1 335 ? -26.468 45.641 1.216   1.00 9.14   ?  335  LEU A HD12 1 
ATOM   4671 H  HD13 . LEU A 1 335 ? -25.872 45.629 -0.256  1.00 9.29   ?  335  LEU A HD13 1 
ATOM   4672 H  HD21 . LEU A 1 335 ? -23.290 45.705 2.910   1.00 8.72   ?  335  LEU A HD21 1 
ATOM   4673 H  HD22 . LEU A 1 335 ? -24.794 45.283 3.204   1.00 8.72   ?  335  LEU A HD22 1 
ATOM   4674 H  HD23 . LEU A 1 335 ? -24.454 46.778 2.789   1.00 8.68   ?  335  LEU A HD23 1 
ATOM   4675 N  N    . ALA A 1 336 ? -22.069 41.244 0.440   1.00 7.58   ?  336  ALA A N    1 
ATOM   4676 C  CA   . ALA A 1 336 ? -22.078 39.785 0.439   1.00 8.00   ?  336  ALA A CA   1 
ATOM   4677 C  C    . ALA A 1 336 ? -21.304 39.162 1.596   1.00 7.75   ?  336  ALA A C    1 
ATOM   4678 O  O    . ALA A 1 336 ? -21.689 38.090 2.050   1.00 8.32   ?  336  ALA A O    1 
ATOM   4679 C  CB   . ALA A 1 336 ? -21.530 39.271 -0.871  1.00 8.28   ?  336  ALA A CB   1 
ATOM   4680 H  H    . ALA A 1 336 ? -21.535 41.687 -0.154  1.00 7.58   ?  336  ALA A H    1 
ATOM   4681 H  HA   . ALA A 1 336 ? -23.013 39.491 0.513   1.00 7.93   ?  336  ALA A HA   1 
ATOM   4682 H  HB1  . ALA A 1 336 ? -21.519 38.300 -0.860  1.00 8.19   ?  336  ALA A HB1  1 
ATOM   4683 H  HB2  . ALA A 1 336 ? -22.087 39.584 -1.601  1.00 8.21   ?  336  ALA A HB2  1 
ATOM   4684 H  HB3  . ALA A 1 336 ? -20.624 39.600 -0.994  1.00 8.23   ?  336  ALA A HB3  1 
ATOM   4685 N  N    . THR A 1 337 ? -20.187 39.792 1.962   1.00 7.52   ?  337  THR A N    1 
ATOM   4686 C  CA   . THR A 1 337 ? -19.291 39.212 2.956   1.00 7.52   ?  337  THR A CA   1 
ATOM   4687 C  C    . THR A 1 337 ? -18.662 40.354 3.737   1.00 7.34   ?  337  THR A C    1 
ATOM   4688 O  O    . THR A 1 337 ? -18.785 41.520 3.375   1.00 7.64   ?  337  THR A O    1 
ATOM   4689 C  CB   . THR A 1 337 ? -18.202 38.358 2.326   1.00 8.85   ?  337  THR A CB   1 
ATOM   4690 O  OG1  . THR A 1 337 ? -17.318 39.182 1.565   1.00 10.27  ?  337  THR A OG1  1 
ATOM   4691 C  CG2  . THR A 1 337 ? -18.722 37.202 1.480   1.00 9.25   ?  337  THR A CG2  1 
ATOM   4692 H  H    . THR A 1 337 ? -19.971 40.596 1.585   1.00 7.54   ?  337  THR A H    1 
ATOM   4693 H  HA   . THR A 1 337 ? -19.820 38.657 3.570   1.00 7.54   ?  337  THR A HA   1 
ATOM   4694 H  HB   . THR A 1 337 ? -17.680 37.968 3.066   1.00 8.69   ?  337  THR A HB   1 
ATOM   4695 H  HG1  . THR A 1 337 ? -17.757 39.578 0.956   0.00 10.86  ?  337  THR A HG1  1 
ATOM   4696 H  HG21 . THR A 1 337 ? -17.975 36.640 1.204   1.00 9.15   ?  337  THR A HG21 1 
ATOM   4697 H  HG22 . THR A 1 337 ? -19.172 37.551 0.690   1.00 9.12   ?  337  THR A HG22 1 
ATOM   4698 H  HG23 . THR A 1 337 ? -19.350 36.671 2.003   1.00 9.16   ?  337  THR A HG23 1 
ATOM   4699 N  N    . GLY A 1 338 ? -17.968 39.982 4.805   1.00 7.70   ?  338  GLY A N    1 
ATOM   4700 C  CA   . GLY A 1 338 ? -17.226 40.967 5.585   1.00 7.30   ?  338  GLY A CA   1 
ATOM   4701 C  C    . GLY A 1 338 ? -18.024 41.608 6.720   1.00 7.34   ?  338  GLY A C    1 
ATOM   4702 O  O    . GLY A 1 338 ? -19.063 41.106 7.149   1.00 7.37   ?  338  GLY A O    1 
ATOM   4703 H  H    . GLY A 1 338 ? -17.954 39.106 5.064   1.00 7.53   ?  338  GLY A H    1 
ATOM   4704 H  HA2  . GLY A 1 338 ? -16.427 40.525 5.968   1.00 7.37   ?  338  GLY A HA2  1 
ATOM   4705 H  HA3  . GLY A 1 338 ? -16.904 41.678 4.975   1.00 7.42   ?  338  GLY A HA3  1 
ATOM   4706 N  N    . PHE A 1 339 ? -17.504 42.734 7.176   1.00 7.66   ?  339  PHE A N    1 
ATOM   4707 C  CA   . PHE A 1 339 ? -17.863 43.331 8.458   1.00 8.11   ?  339  PHE A CA   1 
ATOM   4708 C  C    . PHE A 1 339 ? -18.204 44.784 8.213   1.00 7.70   ?  339  PHE A C    1 
ATOM   4709 O  O    . PHE A 1 339 ? -17.692 45.379 7.267   1.00 7.96   ?  339  PHE A O    1 
ATOM   4710 C  CB   . PHE A 1 339 ? -16.724 43.164 9.456   1.00 8.93   ?  339  PHE A CB   1 
ATOM   4711 C  CG   . PHE A 1 339 ? -16.276 41.739 9.484   1.00 11.70  ?  339  PHE A CG   1 
ATOM   4712 C  CD1  . PHE A 1 339 ? -17.050 40.792 10.091  1.00 14.10  ?  339  PHE A CD1  1 
ATOM   4713 C  CD2  . PHE A 1 339 ? -15.159 41.370 8.742   1.00 13.12  ?  339  PHE A CD2  1 
ATOM   4714 C  CE1  . PHE A 1 339 ? -16.723 39.444 9.929   1.00 16.60  ?  339  PHE A CE1  1 
ATOM   4715 C  CE2  . PHE A 1 339 ? -14.828 40.039 8.603   1.00 14.88  ?  339  PHE A CE2  1 
ATOM   4716 C  CZ   . PHE A 1 339 ? -15.635 39.089 9.176   1.00 15.50  ?  339  PHE A CZ   1 
ATOM   4717 H  H    . PHE A 1 339 ? -16.883 43.165 6.662   1.00 7.62   ?  339  PHE A H    1 
ATOM   4718 H  HA   . PHE A 1 339 ? -18.667 42.875 8.813   1.00 8.03   ?  339  PHE A HA   1 
ATOM   4719 H  HB2  . PHE A 1 339 ? -15.977 43.743 9.196   1.00 8.99   ?  339  PHE A HB2  1 
ATOM   4720 H  HB3  . PHE A 1 339 ? -17.032 43.431 10.347  1.00 9.03   ?  339  PHE A HB3  1 
ATOM   4721 H  HD1  . PHE A 1 339 ? -17.841 41.044 10.536  1.00 14.17  ?  339  PHE A HD1  1 
ATOM   4722 H  HD2  . PHE A 1 339 ? -14.662 42.029 8.284   1.00 12.90  ?  339  PHE A HD2  1 
ATOM   4723 H  HE1  . PHE A 1 339 ? -17.234 38.779 10.361  1.00 15.72  ?  339  PHE A HE1  1 
ATOM   4724 H  HE2  . PHE A 1 339 ? -14.066 39.783 8.111   1.00 14.30  ?  339  PHE A HE2  1 
ATOM   4725 H  HZ   . PHE A 1 339 ? -15.366 38.185 9.155   1.00 15.20  ?  339  PHE A HZ   1 
ATOM   4726 N  N    . VAL A 1 340 ? -19.085 45.373 8.995   1.00 7.37   ?  340  VAL A N    1 
ATOM   4727 C  CA   . VAL A 1 340 ? -19.629 46.670 8.637   1.00 7.40   ?  340  VAL A CA   1 
ATOM   4728 C  C    . VAL A 1 340 ? -18.617 47.808 8.701   1.00 8.05   ?  340  VAL A C    1 
ATOM   4729 O  O    . VAL A 1 340 ? -18.891 48.847 8.099   1.00 9.00   ?  340  VAL A O    1 
ATOM   4730 C  CB   . VAL A 1 340 ? -20.901 47.040 9.406   1.00 7.79   ?  340  VAL A CB   1 
ATOM   4731 C  CG1  . VAL A 1 340 ? -22.054 46.088 9.088   1.00 7.90   ?  340  VAL A CG1  1 
ATOM   4732 C  CG2  . VAL A 1 340 ? -20.642 47.196 10.893  1.00 8.17   ?  340  VAL A CG2  1 
ATOM   4733 H  H    . VAL A 1 340 ? -19.361 44.965 9.764   1.00 7.42   ?  340  VAL A H    1 
ATOM   4734 H  HA   . VAL A 1 340 ? -19.894 46.599 7.702   1.00 7.42   ?  340  VAL A HA   1 
ATOM   4735 H  HB   . VAL A 1 340 ? -21.175 47.931 9.074   1.00 7.69   ?  340  VAL A HB   1 
ATOM   4736 H  HG11 . VAL A 1 340 ? -21.826 45.190 9.385   1.00 7.86   ?  340  VAL A HG11 1 
ATOM   4737 H  HG12 . VAL A 1 340 ? -22.214 46.080 8.128   1.00 7.79   ?  340  VAL A HG12 1 
ATOM   4738 H  HG13 . VAL A 1 340 ? -22.858 46.387 9.547   1.00 7.89   ?  340  VAL A HG13 1 
ATOM   4739 H  HG21 . VAL A 1 340 ? -21.482 47.380 11.350  1.00 8.07   ?  340  VAL A HG21 1 
ATOM   4740 H  HG22 . VAL A 1 340 ? -20.026 47.934 11.043  1.00 8.07   ?  340  VAL A HG22 1 
ATOM   4741 H  HG23 . VAL A 1 340 ? -20.256 46.376 11.246  1.00 8.09   ?  340  VAL A HG23 1 
ATOM   4742 N  N    . SER A 1 341 ? -17.439 47.592 9.287   1.00 8.40   ?  341  SER A N    1 
ATOM   4743 C  CA   . SER A 1 341 ? -16.361 48.565 9.169   1.00 9.29   ?  341  SER A CA   1 
ATOM   4744 C  C    . SER A 1 341 ? -15.986 48.855 7.704   1.00 10.07  ?  341  SER A C    1 
ATOM   4745 O  O    . SER A 1 341 ? -15.431 49.913 7.436   1.00 11.88  ?  341  SER A O    1 
ATOM   4746 C  CB   . SER A 1 341 ? -15.140 48.115 9.956   1.00 9.54   ?  341  SER A CB   1 
ATOM   4747 O  OG   . SER A 1 341 ? -14.706 46.836 9.506   1.00 9.90   ?  341  SER A OG   1 
ATOM   4748 H  H    . SER A 1 341 ? -17.304 46.838 9.785   1.00 8.37   ?  341  SER A H    1 
ATOM   4749 H  HA   . SER A 1 341 ? -16.684 49.416 9.568   1.00 9.27   ?  341  SER A HA   1 
ATOM   4750 H  HB2  . SER A 1 341 ? -14.415 48.769 9.840   1.00 9.42   ?  341  SER A HB2  1 
ATOM   4751 H  HB3  . SER A 1 341 ? -15.365 48.070 10.912  1.00 9.63   ?  341  SER A HB3  1 
ATOM   4752 H  HG   . SER A 1 341 ? -14.150 46.941 8.881   0.00 10.24  ?  341  SER A HG   1 
ATOM   4753 N  N    . LYS A 1 342 ? -16.330 47.947 6.760   1.00 9.85   ?  342  LYS A N    1 
ATOM   4754 C  CA   . LYS A 1 342 ? -15.971 48.105 5.351   1.00 10.93  ?  342  LYS A CA   1 
ATOM   4755 C  C    . LYS A 1 342 ? -16.861 49.152 4.704   1.00 10.63  ?  342  LYS A C    1 
ATOM   4756 O  O    . LYS A 1 342 ? -16.548 49.582 3.607   1.00 12.71  ?  342  LYS A O    1 
ATOM   4757 C  CB   . LYS A 1 342 ? -16.146 46.768 4.592   1.00 12.18  ?  342  LYS A CB   1 
ATOM   4758 C  CG   . LYS A 1 342 ? -17.571 46.345 4.278   1.00 13.25  ?  342  LYS A CG   1 
ATOM   4759 C  CD   . LYS A 1 342 ? -17.756 44.886 3.754   1.00 12.52  ?  342  LYS A CD   1 
ATOM   4760 C  CE   . LYS A 1 342 ? -17.221 44.757 2.374   1.00 13.91  ?  342  LYS A CE   1 
ATOM   4761 N  NZ   . LYS A 1 342 ? -17.455 43.444 1.796   1.00 12.10  1  342  LYS A NZ   1 
ATOM   4762 H  H    . LYS A 1 342 ? -16.787 47.197 7.009   1.00 10.05  ?  342  LYS A H    1 
ATOM   4763 H  HA   . LYS A 1 342 ? -15.031 48.394 5.290   1.00 10.83  ?  342  LYS A HA   1 
ATOM   4764 H  HB2  . LYS A 1 342 ? -15.653 46.832 3.748   1.00 12.04  ?  342  LYS A HB2  1 
ATOM   4765 H  HB3  . LYS A 1 342 ? -15.727 46.060 5.124   1.00 12.08  ?  342  LYS A HB3  1 
ATOM   4766 H  HG2  . LYS A 1 342 ? -18.112 46.456 5.088   1.00 12.81  ?  342  LYS A HG2  1 
ATOM   4767 H  HG3  . LYS A 1 342 ? -17.930 46.959 3.602   1.00 12.93  ?  342  LYS A HG3  1 
ATOM   4768 H  HD2  . LYS A 1 342 ? -17.283 44.262 4.346   1.00 12.70  ?  342  LYS A HD2  1 
ATOM   4769 H  HD3  . LYS A 1 342 ? -18.709 44.654 3.757   1.00 12.82  ?  342  LYS A HD3  1 
ATOM   4770 H  HE2  . LYS A 1 342 ? -17.638 45.429 1.802   1.00 13.27  ?  342  LYS A HE2  1 
ATOM   4771 H  HE3  . LYS A 1 342 ? -16.260 44.928 2.384   1.00 13.29  ?  342  LYS A HE3  1 
ATOM   4772 H  HZ1  . LYS A 1 342 ? -18.346 43.284 1.746   1.00 12.32  ?  342  LYS A HZ1  1 
ATOM   4773 H  HZ2  . LYS A 1 342 ? -17.068 42.807 2.313   1.00 12.48  ?  342  LYS A HZ2  1 
ATOM   4774 H  HZ3  . LYS A 1 342 ? -17.099 43.407 0.963   1.00 12.40  ?  342  LYS A HZ3  1 
ATOM   4775 N  N    . LEU A 1 343 ? -18.028 49.437 5.290   1.00 10.35  ?  343  LEU A N    1 
ATOM   4776 C  CA   . LEU A 1 343 ? -19.033 50.299 4.707   1.00 12.07  ?  343  LEU A CA   1 
ATOM   4777 C  C    . LEU A 1 343 ? -18.682 51.770 4.971   1.00 13.76  ?  343  LEU A C    1 
ATOM   4778 O  O    . LEU A 1 343 ? -17.753 52.091 5.684   1.00 15.52  ?  343  LEU A O    1 
ATOM   4779 C  CB   . LEU A 1 343 ? -20.407 49.927 5.254   1.00 11.14  ?  343  LEU A CB   1 
ATOM   4780 C  CG   . LEU A 1 343 ? -20.828 48.467 5.040   1.00 11.57  ?  343  LEU A CG   1 
ATOM   4781 C  CD1  . LEU A 1 343 ? -22.196 48.216 5.635   1.00 12.20  ?  343  LEU A CD1  1 
ATOM   4782 C  CD2  . LEU A 1 343 ? -20.870 48.076 3.589   1.00 13.09  ?  343  LEU A CD2  1 
ATOM   4783 H  H    . LEU A 1 343 ? -18.209 49.063 6.103   1.00 10.48  ?  343  LEU A H    1 
ATOM   4784 H  HA   . LEU A 1 343 ? -19.029 50.155 3.733   1.00 11.87  ?  343  LEU A HA   1 
ATOM   4785 H  HB2  . LEU A 1 343 ? -20.417 50.115 6.213   1.00 11.34  ?  343  LEU A HB2  1 
ATOM   4786 H  HB3  . LEU A 1 343 ? -21.074 50.505 4.834   1.00 11.38  ?  343  LEU A HB3  1 
ATOM   4787 H  HG   . LEU A 1 343 ? -20.177 47.883 5.501   1.00 11.80  ?  343  LEU A HG   1 
ATOM   4788 H  HD11 . LEU A 1 343 ? -22.359 47.258 5.683   1.00 12.05  ?  343  LEU A HD11 1 
ATOM   4789 H  HD12 . LEU A 1 343 ? -22.875 48.632 5.075   1.00 12.10  ?  343  LEU A HD12 1 
ATOM   4790 H  HD13 . LEU A 1 343 ? -22.236 48.597 6.529   1.00 11.95  ?  343  LEU A HD13 1 
ATOM   4791 H  HD21 . LEU A 1 343 ? -19.972 48.105 3.217   1.00 12.73  ?  343  LEU A HD21 1 
ATOM   4792 H  HD22 . LEU A 1 343 ? -21.442 48.695 3.103   1.00 12.75  ?  343  LEU A HD22 1 
ATOM   4793 H  HD23 . LEU A 1 343 ? -21.225 47.174 3.506   1.00 12.72  ?  343  LEU A HD23 1 
ATOM   4794 N  N    . SER A 1 344 ? -19.472 52.675 4.404   1.00 15.46  ?  344  SER A N    1 
ATOM   4795 C  CA   . SER A 1 344 ? -19.318 54.093 4.694   1.00 16.01  ?  344  SER A CA   1 
ATOM   4796 C  C    . SER A 1 344 ? -20.083 54.457 5.961   1.00 16.11  ?  344  SER A C    1 
ATOM   4797 O  O    . SER A 1 344 ? -20.975 53.725 6.364   1.00 15.23  ?  344  SER A O    1 
ATOM   4798 C  CB   . SER A 1 344 ? -19.829 54.904 3.562   1.00 17.31  ?  344  SER A CB   1 
ATOM   4799 O  OG   . SER A 1 344 ? -21.242 54.813 3.472   1.00 18.92  ?  344  SER A OG   1 
ATOM   4800 H  H    . SER A 1 344 ? -20.122 52.409 3.820   1.00 15.13  ?  344  SER A H    1 
ATOM   4801 H  HA   . SER A 1 344 ? -18.353 54.293 4.829   1.00 16.02  ?  344  SER A HA   1 
ATOM   4802 H  HB2  . SER A 1 344 ? -19.568 55.844 3.690   1.00 17.27  ?  344  SER A HB2  1 
ATOM   4803 H  HB3  . SER A 1 344 ? -19.425 54.585 2.723   1.00 17.24  ?  344  SER A HB3  1 
ATOM   4804 H  HG   . SER A 1 344 ? -21.585 55.428 3.956   0.00 19.33  ?  344  SER A HG   1 
ATOM   4805 N  N    . ASP A 1 345 ? -19.777 55.641 6.508   1.00 17.34  ?  345  ASP A N    1 
ATOM   4806 C  CA   . ASP A 1 345 ? -20.537 56.253 7.582   1.00 17.55  ?  345  ASP A CA   1 
ATOM   4807 C  C    . ASP A 1 345 ? -22.019 56.321 7.220   1.00 16.26  ?  345  ASP A C    1 
ATOM   4808 O  O    . ASP A 1 345 ? -22.844 55.954 8.036   1.00 15.30  ?  345  ASP A O    1 
ATOM   4809 C  CB   . ASP A 1 345 ? -20.013 57.650 7.925   1.00 19.70  ?  345  ASP A CB   1 
ATOM   4810 C  CG   . ASP A 1 345 ? -18.753 57.678 8.781   1.00 23.60  ?  345  ASP A CG   1 
ATOM   4811 O  OD1  . ASP A 1 345 ? -18.345 56.615 9.267   1.00 25.31  ?  345  ASP A OD1  1 
ATOM   4812 O  OD2  . ASP A 1 345 ? -18.180 58.788 8.957   1.00 30.87  -1 345  ASP A OD2  1 
ATOM   4813 H  H    . ASP A 1 345 ? -19.048 56.089 6.187   1.00 17.05  ?  345  ASP A H    1 
ATOM   4814 H  HA   . ASP A 1 345 ? -20.443 55.686 8.382   1.00 17.58  ?  345  ASP A HA   1 
ATOM   4815 H  HB2  . ASP A 1 345 ? -19.823 58.128 7.091   1.00 19.88  ?  345  ASP A HB2  1 
ATOM   4816 H  HB3  . ASP A 1 345 ? -20.712 58.141 8.402   1.00 19.88  ?  345  ASP A HB3  1 
ATOM   4817 N  N    . GLU A 1 346 ? -22.363 56.724 5.995   1.00 16.54  ?  346  GLU A N    1 
ATOM   4818 C  CA   . GLU A 1 346 ? -23.758 56.873 5.596   1.00 16.85  ?  346  GLU A CA   1 
ATOM   4819 C  C    . GLU A 1 346 ? -24.446 55.507 5.567   1.00 15.06  ?  346  GLU A C    1 
ATOM   4820 O  O    . GLU A 1 346 ? -25.599 55.392 5.978   1.00 14.32  ?  346  GLU A O    1 
ATOM   4821 C  CB   . GLU A 1 346 ? -23.897 57.559 4.230   1.00 20.29  ?  346  GLU A CB   1 
ATOM   4822 C  CG   . GLU A 1 346 ? -25.336 57.714 3.771   1.00 25.22  ?  346  GLU A CG   1 
ATOM   4823 C  CD   . GLU A 1 346 ? -25.547 58.626 2.564   1.00 29.50  ?  346  GLU A CD   1 
ATOM   4824 O  OE1  . GLU A 1 346 ? -24.536 59.000 1.933   1.00 38.22  ?  346  GLU A OE1  1 
ATOM   4825 O  OE2  . GLU A 1 346 ? -26.723 58.988 2.269   1.00 40.26  -1 346  GLU A OE2  1 
ATOM   4826 H  H    . GLU A 1 346 ? -21.709 56.916 5.386   1.00 16.22  ?  346  GLU A H    1 
ATOM   4827 H  HA   . GLU A 1 346 ? -24.209 57.432 6.271   1.00 16.76  ?  346  GLU A HA   1 
ATOM   4828 H  HB2  . GLU A 1 346 ? -23.481 58.445 4.281   1.00 20.09  ?  346  GLU A HB2  1 
ATOM   4829 H  HB3  . GLU A 1 346 ? -23.406 57.033 3.564   1.00 19.95  ?  346  GLU A HB3  1 
ATOM   4830 H  HG2  . GLU A 1 346 ? -25.694 56.828 3.548   1.00 24.39  ?  346  GLU A HG2  1 
ATOM   4831 H  HG3  . GLU A 1 346 ? -25.868 58.065 4.517   1.00 24.60  ?  346  GLU A HG3  1 
ATOM   4832 N  N    . GLU A 1 347 ? -23.740 54.477 5.097   1.00 13.53  ?  347  GLU A N    1 
ATOM   4833 C  CA   . GLU A 1 347 ? -24.318 53.137 5.020   1.00 13.33  ?  347  GLU A CA   1 
ATOM   4834 C  C    . GLU A 1 347 ? -24.569 52.587 6.428   1.00 11.65  ?  347  GLU A C    1 
ATOM   4835 O  O    . GLU A 1 347 ? -25.632 52.011 6.700   1.00 11.93  ?  347  GLU A O    1 
ATOM   4836 C  CB   . GLU A 1 347 ? -23.402 52.223 4.217   1.00 14.01  ?  347  GLU A CB   1 
ATOM   4837 C  CG   . GLU A 1 347 ? -23.463 52.488 2.740   1.00 15.94  ?  347  GLU A CG   1 
ATOM   4838 C  CD   . GLU A 1 347 ? -22.350 51.876 1.920   1.00 18.28  ?  347  GLU A CD   1 
ATOM   4839 O  OE1  . GLU A 1 347 ? -21.302 51.555 2.458   1.00 18.90  ?  347  GLU A OE1  1 
ATOM   4840 O  OE2  . GLU A 1 347 ? -22.495 51.884 0.705   1.00 25.01  -1 347  GLU A OE2  1 
ATOM   4841 H  H    . GLU A 1 347 ? -22.882 54.608 4.812   1.00 13.81  ?  347  GLU A H    1 
ATOM   4842 H  HA   . GLU A 1 347 ? -25.182 53.201 4.553   1.00 13.11  ?  347  GLU A HA   1 
ATOM   4843 H  HB2  . GLU A 1 347 ? -22.482 52.348 4.529   1.00 14.10  ?  347  GLU A HB2  1 
ATOM   4844 H  HB3  . GLU A 1 347 ? -23.656 51.292 4.386   1.00 14.10  ?  347  GLU A HB3  1 
ATOM   4845 H  HG2  . GLU A 1 347 ? -24.318 52.149 2.395   1.00 15.76  ?  347  GLU A HG2  1 
ATOM   4846 H  HG3  . GLU A 1 347 ? -23.454 53.457 2.593   1.00 15.68  ?  347  GLU A HG3  1 
ATOM   4847 N  N    . ARG A 1 348 ? -23.614 52.781 7.349   1.00 10.81  ?  348  ARG A N    1 
ATOM   4848 C  CA   . ARG A 1 348 ? -23.830 52.396 8.734   1.00 10.44  ?  348  ARG A CA   1 
ATOM   4849 C  C    . ARG A 1 348 ? -24.966 53.192 9.339   1.00 10.63  ?  348  ARG A C    1 
ATOM   4850 O  O    . ARG A 1 348 ? -25.690 52.657 10.171  1.00 9.94   ?  348  ARG A O    1 
ATOM   4851 C  CB   . ARG A 1 348 ? -22.549 52.495 9.558   1.00 11.11  ?  348  ARG A CB   1 
ATOM   4852 C  CG   . ARG A 1 348 ? -21.556 51.386 9.271   1.00 11.53  ?  348  ARG A CG   1 
ATOM   4853 C  CD   . ARG A 1 348 ? -20.378 51.427 10.230  1.00 12.56  ?  348  ARG A CD   1 
ATOM   4854 N  NE   . ARG A 1 348 ? -19.541 52.594 10.014  1.00 13.70  ?  348  ARG A NE   1 
ATOM   4855 C  CZ   . ARG A 1 348 ? -18.626 52.687 9.074   1.00 13.71  ?  348  ARG A CZ   1 
ATOM   4856 N  NH1  . ARG A 1 348 ? -18.249 51.614 8.400   1.00 14.31  1  348  ARG A NH1  1 
ATOM   4857 N  NH2  . ARG A 1 348 ? -18.033 53.848 8.843   1.00 15.15  ?  348  ARG A NH2  1 
ATOM   4858 H  H    . ARG A 1 348 ? -22.815 53.153 7.108   1.00 10.68  ?  348  ARG A H    1 
ATOM   4859 H  HA   . ARG A 1 348 ? -24.104 51.449 8.731   1.00 10.60  ?  348  ARG A HA   1 
ATOM   4860 H  HB2  . ARG A 1 348 ? -22.124 53.358 9.373   1.00 11.06  ?  348  ARG A HB2  1 
ATOM   4861 H  HB3  . ARG A 1 348 ? -22.785 52.472 10.509  1.00 11.13  ?  348  ARG A HB3  1 
ATOM   4862 H  HG2  . ARG A 1 348 ? -22.005 50.518 9.351   1.00 11.59  ?  348  ARG A HG2  1 
ATOM   4863 H  HG3  . ARG A 1 348 ? -21.225 51.475 8.352   1.00 11.54  ?  348  ARG A HG3  1 
ATOM   4864 H  HD2  . ARG A 1 348 ? -20.714 51.441 11.151  1.00 12.49  ?  348  ARG A HD2  1 
ATOM   4865 H  HD3  . ARG A 1 348 ? -19.841 50.614 10.120  1.00 12.59  ?  348  ARG A HD3  1 
ATOM   4866 H  HE   . ARG A 1 348 ? -19.652 53.279 10.542  1.00 13.50  ?  348  ARG A HE   1 
ATOM   4867 H  HH11 . ARG A 1 348 ? -18.838 50.980 8.209   1.00 14.08  ?  348  ARG A HH11 1 
ATOM   4868 H  HH12 . ARG A 1 348 ? -17.405 51.541 8.135   1.00 14.11  ?  348  ARG A HH12 1 
ATOM   4869 H  HH21 . ARG A 1 348 ? -17.395 53.900 8.240   1.00 14.78  ?  348  ARG A HH21 1 
ATOM   4870 H  HH22 . ARG A 1 348 ? -18.277 54.563 9.291   1.00 14.80  ?  348  ARG A HH22 1 
ATOM   4871 N  N    . SER A 1 349 ? -25.045 54.477 9.048   1.00 10.45  ?  349  SER A N    1 
ATOM   4872 C  CA   . SER A 1 349 ? -26.095 55.318 9.595   1.00 11.44  ?  349  SER A CA   1 
ATOM   4873 C  C    . SER A 1 349 ? -27.491 54.842 9.165   1.00 10.20  ?  349  SER A C    1 
ATOM   4874 O  O    . SER A 1 349 ? -28.402 54.678 9.997   1.00 9.90   ?  349  SER A O    1 
ATOM   4875 C  CB   . SER A 1 349 ? -25.815 56.760 9.240   1.00 14.08  ?  349  SER A CB   1 
ATOM   4876 O  OG   . SER A 1 349 ? -26.856 57.624 9.628   1.00 17.44  ?  349  SER A OG   1 
ATOM   4877 H  H    . SER A 1 349 ? -24.422 54.852 8.495   1.00 10.65  ?  349  SER A H    1 
ATOM   4878 H  HA   . SER A 1 349 ? -26.048 55.239 10.585  1.00 11.41  ?  349  SER A HA   1 
ATOM   4879 H  HB2  . SER A 1 349 ? -24.981 57.043 9.679   1.00 13.87  ?  349  SER A HB2  1 
ATOM   4880 H  HB3  . SER A 1 349 ? -25.683 56.832 8.267   1.00 13.90  ?  349  SER A HB3  1 
ATOM   4881 H  HG   . SER A 1 349 ? -26.709 57.907 10.419  0.00 18.41  ?  349  SER A HG   1 
ATOM   4882 N  N    . ASP A 1 350 ? -27.641 54.556 7.865   1.00 10.40  ?  350  ASP A N    1 
ATOM   4883 C  CA   . ASP A 1 350 ? -28.897 54.035 7.365   1.00 10.22  ?  350  ASP A CA   1 
ATOM   4884 C  C    . ASP A 1 350 ? -29.244 52.673 7.967   1.00 9.40   ?  350  ASP A C    1 
ATOM   4885 O  O    . ASP A 1 350 ? -30.405 52.364 8.220   1.00 10.25  ?  350  ASP A O    1 
ATOM   4886 C  CB   . ASP A 1 350 ? -28.916 53.979 5.844   1.00 11.18  ?  350  ASP A CB   1 
ATOM   4887 C  CG   . ASP A 1 350 ? -29.151 55.339 5.217   1.00 13.22  ?  350  ASP A CG   1 
ATOM   4888 O  OD1  . ASP A 1 350 ? -29.465 56.302 5.947   1.00 15.55  ?  350  ASP A OD1  1 
ATOM   4889 O  OD2  . ASP A 1 350 ? -28.974 55.416 3.985   1.00 16.65  -1 350  ASP A OD2  1 
ATOM   4890 H  H    . ASP A 1 350 ? -26.951 54.693 7.283   1.00 10.33  ?  350  ASP A H    1 
ATOM   4891 H  HA   . ASP A 1 350 ? -29.604 54.664 7.642   1.00 10.27  ?  350  ASP A HA   1 
ATOM   4892 H  HB2  . ASP A 1 350 ? -28.061 53.628 5.520   1.00 11.24  ?  350  ASP A HB2  1 
ATOM   4893 H  HB3  . ASP A 1 350 ? -29.628 53.375 5.549   1.00 11.23  ?  350  ASP A HB3  1 
ATOM   4894 N  N    . MET A 1 351 ? -28.228 51.842 8.161   1.00 9.19   ?  351  MET A N    1 
ATOM   4895 C  CA   . MET A 1 351 ? -28.439 50.556 8.793   1.00 8.39   ?  351  MET A CA   1 
ATOM   4896 C  C    . MET A 1 351 ? -28.962 50.769 10.211  1.00 7.94   ?  351  MET A C    1 
ATOM   4897 O  O    . MET A 1 351 ? -29.939 50.131 10.646  1.00 8.49   ?  351  MET A O    1 
ATOM   4898 C  CB   . MET A 1 351 ? -27.138 49.772 8.793   1.00 8.29   ?  351  MET A CB   1 
ATOM   4899 C  CG   . MET A 1 351 ? -27.299 48.365 9.295   1.00 8.11   ?  351  MET A CG   1 
ATOM   4900 S  SD   . MET A 1 351 ? -25.771 47.421 9.165   1.00 9.58   ?  351  MET A SD   1 
ATOM   4901 C  CE   . MET A 1 351 ? -25.670 47.195 7.393   1.00 9.36   ?  351  MET A CE   1 
ATOM   4902 H  H    . MET A 1 351 ? -27.387 52.073 7.889   1.00 9.06   ?  351  MET A H    1 
ATOM   4903 H  HA   . MET A 1 351 ? -29.119 50.063 8.277   1.00 8.36   ?  351  MET A HA   1 
ATOM   4904 H  HB2  . MET A 1 351 ? -26.784 49.750 7.882   1.00 8.30   ?  351  MET A HB2  1 
ATOM   4905 H  HB3  . MET A 1 351 ? -26.488 50.239 9.355   1.00 8.29   ?  351  MET A HB3  1 
ATOM   4906 H  HG2  . MET A 1 351 ? -27.581 48.383 10.234  1.00 8.22   ?  351  MET A HG2  1 
ATOM   4907 H  HG3  . MET A 1 351 ? -27.998 47.913 8.776   1.00 8.27   ?  351  MET A HG3  1 
ATOM   4908 H  HE1  . MET A 1 351 ? -26.483 46.783 7.075   1.00 9.42   ?  351  MET A HE1  1 
ATOM   4909 H  HE2  . MET A 1 351 ? -25.555 48.053 6.966   1.00 9.32   ?  351  MET A HE2  1 
ATOM   4910 H  HE3  . MET A 1 351 ? -24.918 46.628 7.184   1.00 9.40   ?  351  MET A HE3  1 
ATOM   4911 N  N    . ARG A 1 352 ? -28.342 51.688 10.960  1.00 8.42   ?  352  ARG A N    1 
ATOM   4912 C  CA   . ARG A 1 352 ? -28.789 51.947 12.324  1.00 8.69   ?  352  ARG A CA   1 
ATOM   4913 C  C    . ARG A 1 352 ? -30.199 52.534 12.311  1.00 8.18   ?  352  ARG A C    1 
ATOM   4914 O  O    . ARG A 1 352 ? -31.008 52.201 13.146  1.00 8.42   ?  352  ARG A O    1 
ATOM   4915 C  CB   . ARG A 1 352 ? -27.822 52.835 13.083  1.00 8.76   ?  352  ARG A CB   1 
ATOM   4916 C  CG   . ARG A 1 352 ? -28.320 53.141 14.486  1.00 9.45   ?  352  ARG A CG   1 
ATOM   4917 C  CD   . ARG A 1 352 ? -27.230 53.543 15.434  1.00 9.97   ?  352  ARG A CD   1 
ATOM   4918 N  NE   . ARG A 1 352 ? -27.842 53.868 16.690  1.00 11.54  ?  352  ARG A NE   1 
ATOM   4919 C  CZ   . ARG A 1 352 ? -27.297 53.709 17.875  1.00 10.71  ?  352  ARG A CZ   1 
ATOM   4920 N  NH1  . ARG A 1 352 ? -26.042 53.322 18.012  1.00 10.92  1  352  ARG A NH1  1 
ATOM   4921 N  NH2  . ARG A 1 352 ? -28.041 53.986 18.927  1.00 11.18  ?  352  ARG A NH2  1 
ATOM   4922 H  H    . ARG A 1 352 ? -27.632 52.156 10.625  1.00 8.34   ?  352  ARG A H    1 
ATOM   4923 H  HA   . ARG A 1 352 ? -28.830 51.080 12.791  1.00 8.60   ?  352  ARG A HA   1 
ATOM   4924 H  HB2  . ARG A 1 352 ? -26.952 52.387 13.138  1.00 8.85   ?  352  ARG A HB2  1 
ATOM   4925 H  HB3  . ARG A 1 352 ? -27.705 53.675 12.591  1.00 8.81   ?  352  ARG A HB3  1 
ATOM   4926 H  HG2  . ARG A 1 352 ? -28.980 53.865 14.441  1.00 9.42   ?  352  ARG A HG2  1 
ATOM   4927 H  HG3  . ARG A 1 352 ? -28.772 52.347 14.845  1.00 9.45   ?  352  ARG A HG3  1 
ATOM   4928 H  HD2  . ARG A 1 352 ? -26.594 52.805 15.548  1.00 10.14  ?  352  ARG A HD2  1 
ATOM   4929 H  HD3  . ARG A 1 352 ? -26.750 54.322 15.083  1.00 10.05  ?  352  ARG A HD3  1 
ATOM   4930 H  HE   . ARG A 1 352 ? -28.646 54.207 16.667  1.00 10.88  ?  352  ARG A HE   1 
ATOM   4931 H  HH11 . ARG A 1 352 ? -25.425 53.622 17.455  1.00 10.79  ?  352  ARG A HH11 1 
ATOM   4932 H  HH12 . ARG A 1 352 ? -25.824 52.768 18.665  1.00 10.74  ?  352  ARG A HH12 1 
ATOM   4933 H  HH21 . ARG A 1 352 ? -27.682 54.403 19.617  1.00 11.01  ?  352  ARG A HH21 1 
ATOM   4934 H  HH22 . ARG A 1 352 ? -28.894 53.757 18.935  1.00 11.02  ?  352  ARG A HH22 1 
ATOM   4935 N  N    . ARG A 1 353 ? -30.527 53.407 11.346  1.00 8.42   ?  353  ARG A N    1 
ATOM   4936 C  CA   . ARG A 1 353 ? -31.878 53.962 11.269  1.00 9.11   ?  353  ARG A CA   1 
ATOM   4937 C  C    . ARG A 1 353 ? -32.919 52.838 11.154  1.00 8.87   ?  353  ARG A C    1 
ATOM   4938 O  O    . ARG A 1 353 ? -33.954 52.842 11.823  1.00 8.93   ?  353  ARG A O    1 
ATOM   4939 C  CB   . ARG A 1 353 ? -32.023 54.863 10.049  1.00 10.71  ?  353  ARG A CB   1 
ATOM   4940 C  CG   . ARG A 1 353 ? -31.292 56.179 10.176  1.00 12.15  ?  353  ARG A CG   1 
ATOM   4941 C  CD   . ARG A 1 353 ? -31.405 57.002 8.929   1.00 13.96  ?  353  ARG A CD   1 
ATOM   4942 N  NE   . ARG A 1 353 ? -32.770 57.320 8.633   1.00 15.48  ?  353  ARG A NE   1 
ATOM   4943 C  CZ   . ARG A 1 353 ? -33.135 57.780 7.439   1.00 19.62  ?  353  ARG A CZ   1 
ATOM   4944 N  NH1  . ARG A 1 353 ? -32.261 57.857 6.442   1.00 22.14  1  353  ARG A NH1  1 
ATOM   4945 N  NH2  . ARG A 1 353 ? -34.398 58.062 7.205   1.00 23.22  ?  353  ARG A NH2  1 
ATOM   4946 H  H    . ARG A 1 353 ? -29.903 53.667 10.731  1.00 8.45   ?  353  ARG A H    1 
ATOM   4947 H  HA   . ARG A 1 353 ? -32.055 54.486 12.085  1.00 9.06   ?  353  ARG A HA   1 
ATOM   4948 H  HB2  . ARG A 1 353 ? -31.683 54.386 9.264   1.00 10.60  ?  353  ARG A HB2  1 
ATOM   4949 H  HB3  . ARG A 1 353 ? -32.976 55.041 9.904   1.00 10.59  ?  353  ARG A HB3  1 
ATOM   4950 H  HG2  . ARG A 1 353 ? -31.665 56.687 10.927  1.00 12.11  ?  353  ARG A HG2  1 
ATOM   4951 H  HG3  . ARG A 1 353 ? -30.346 56.011 10.365  1.00 12.09  ?  353  ARG A HG3  1 
ATOM   4952 H  HD2  . ARG A 1 353 ? -30.894 57.832 9.038   1.00 13.81  ?  353  ARG A HD2  1 
ATOM   4953 H  HD3  . ARG A 1 353 ? -31.015 56.502 8.180   1.00 13.79  ?  353  ARG A HD3  1 
ATOM   4954 H  HE   . ARG A 1 353 ? -33.376 57.219 9.252   1.00 15.51  ?  353  ARG A HE   1 
ATOM   4955 H  HH11 . ARG A 1 353 ? -31.403 57.977 6.610   1.00 21.31  ?  353  ARG A HH11 1 
ATOM   4956 H  HH12 . ARG A 1 353 ? -32.545 57.809 5.609   1.00 21.54  ?  353  ARG A HH12 1 
ATOM   4957 H  HH21 . ARG A 1 353 ? -34.625 58.466 6.457   1.00 22.45  ?  353  ARG A HH21 1 
ATOM   4958 H  HH22 . ARG A 1 353 ? -35.013 57.847 7.796   1.00 22.24  ?  353  ARG A HH22 1 
ATOM   4959 N  N    . PHE A 1 354 ? -32.620 51.846 10.321  1.00 8.70   ?  354  PHE A N    1 
ATOM   4960 C  CA   . PHE A 1 354 ? -33.525 50.740 10.083  1.00 8.46   ?  354  PHE A CA   1 
ATOM   4961 C  C    . PHE A 1 354 ? -33.643 49.885 11.332  1.00 7.90   ?  354  PHE A C    1 
ATOM   4962 O  O    . PHE A 1 354 ? -34.742 49.410 11.672  1.00 7.83   ?  354  PHE A O    1 
ATOM   4963 C  CB   . PHE A 1 354 ? -33.024 49.925 8.876   1.00 8.18   ?  354  PHE A CB   1 
ATOM   4964 C  CG   . PHE A 1 354 ? -33.832 48.709 8.504   1.00 8.21   ?  354  PHE A CG   1 
ATOM   4965 C  CD1  . PHE A 1 354 ? -35.186 48.815 8.242   1.00 8.78   ?  354  PHE A CD1  1 
ATOM   4966 C  CD2  . PHE A 1 354 ? -33.236 47.479 8.352   1.00 8.01   ?  354  PHE A CD2  1 
ATOM   4967 C  CE1  . PHE A 1 354 ? -35.922 47.694 7.905   1.00 9.09   ?  354  PHE A CE1  1 
ATOM   4968 C  CE2  . PHE A 1 354 ? -33.961 46.361 7.993   1.00 8.56   ?  354  PHE A CE2  1 
ATOM   4969 C  CZ   . PHE A 1 354 ? -35.303 46.480 7.761   1.00 8.25   ?  354  PHE A CZ   1 
ATOM   4970 H  H    . PHE A 1 354 ? -31.821 51.862 9.876   1.00 8.70   ?  354  PHE A H    1 
ATOM   4971 H  HA   . PHE A 1 354 ? -34.420 51.105 9.868   1.00 8.34   ?  354  PHE A HA   1 
ATOM   4972 H  HB2  . PHE A 1 354 ? -32.992 50.523 8.101   1.00 8.29   ?  354  PHE A HB2  1 
ATOM   4973 H  HB3  . PHE A 1 354 ? -32.106 49.641 9.065   1.00 8.25   ?  354  PHE A HB3  1 
ATOM   4974 H  HD1  . PHE A 1 354 ? -35.618 49.648 8.341   1.00 8.68   ?  354  PHE A HD1  1 
ATOM   4975 H  HD2  . PHE A 1 354 ? -32.311 47.396 8.510   1.00 8.17   ?  354  PHE A HD2  1 
ATOM   4976 H  HE1  . PHE A 1 354 ? -36.848 47.773 7.736   1.00 8.85   ?  354  PHE A HE1  1 
ATOM   4977 H  HE2  . PHE A 1 354 ? -33.534 45.524 7.907   1.00 8.38   ?  354  PHE A HE2  1 
ATOM   4978 H  HZ   . PHE A 1 354 ? -35.808 45.719 7.520   1.00 8.43   ?  354  PHE A HZ   1 
ATOM   4979 N  N    . ILE A 1 355 ? -32.510 49.687 12.026  1.00 7.54   ?  355  ILE A N    1 
ATOM   4980 C  CA   . ILE A 1 355 ? -32.521 48.923 13.261  1.00 7.68   ?  355  ILE A CA   1 
ATOM   4981 C  C    . ILE A 1 355 ? -33.333 49.639 14.328  1.00 7.75   ?  355  ILE A C    1 
ATOM   4982 O  O    . ILE A 1 355 ? -34.176 49.025 14.997  1.00 7.88   ?  355  ILE A O    1 
ATOM   4983 C  CB   . ILE A 1 355 ? -31.087 48.565 13.690  1.00 7.77   ?  355  ILE A CB   1 
ATOM   4984 C  CG1  . ILE A 1 355 ? -30.493 47.561 12.709  1.00 8.06   ?  355  ILE A CG1  1 
ATOM   4985 C  CG2  . ILE A 1 355 ? -31.083 48.046 15.118  1.00 8.29   ?  355  ILE A CG2  1 
ATOM   4986 C  CD1  . ILE A 1 355 ? -28.989 47.357 12.860  1.00 8.16   ?  355  ILE A CD1  1 
ATOM   4987 H  H    . ILE A 1 355 ? -31.719 50.027 11.720  1.00 7.65   ?  355  ILE A H    1 
ATOM   4988 H  HA   . ILE A 1 355 ? -32.977 48.082 13.072  1.00 7.69   ?  355  ILE A HA   1 
ATOM   4989 H  HB   . ILE A 1 355 ? -30.540 49.389 13.657  1.00 7.86   ?  355  ILE A HB   1 
ATOM   4990 H  HG12 . ILE A 1 355 ? -30.941 46.697 12.835  1.00 8.04   ?  355  ILE A HG12 1 
ATOM   4991 H  HG13 . ILE A 1 355 ? -30.678 47.864 11.795  1.00 7.95   ?  355  ILE A HG13 1 
ATOM   4992 H  HG21 . ILE A 1 355 ? -31.743 47.337 15.209  1.00 8.16   ?  355  ILE A HG21 1 
ATOM   4993 H  HG22 . ILE A 1 355 ? -31.300 48.770 15.731  1.00 8.16   ?  355  ILE A HG22 1 
ATOM   4994 H  HG23 . ILE A 1 355 ? -30.202 47.696 15.337  1.00 8.19   ?  355  ILE A HG23 1 
ATOM   4995 H  HD11 . ILE A 1 355 ? -28.799 46.950 13.722  1.00 8.19   ?  355  ILE A HD11 1 
ATOM   4996 H  HD12 . ILE A 1 355 ? -28.537 48.217 12.801  1.00 8.15   ?  355  ILE A HD12 1 
ATOM   4997 H  HD13 . ILE A 1 355 ? -28.667 46.774 12.150  1.00 8.11   ?  355  ILE A HD13 1 
ATOM   4998 N  N    . GLU A 1 356 ? -33.066 50.931 14.575  1.00 7.99   ?  356  GLU A N    1 
ATOM   4999 C  CA   . GLU A 1 356 ? -33.816 51.652 15.592  1.00 8.45   ?  356  GLU A CA   1 
ATOM   5000 C  C    . GLU A 1 356 ? -35.315 51.614 15.310  1.00 8.52   ?  356  GLU A C    1 
ATOM   5001 O  O    . GLU A 1 356 ? -36.080 51.419 16.249  1.00 8.60   ?  356  GLU A O    1 
ATOM   5002 C  CB   . GLU A 1 356 ? -33.362 53.106 15.729  1.00 8.65   ?  356  GLU A CB   1 
ATOM   5003 C  CG   . GLU A 1 356 ? -31.948 53.273 16.251  1.00 9.17   ?  356  GLU A CG   1 
ATOM   5004 C  CD   . GLU A 1 356 ? -31.541 54.692 16.616  1.00 10.31  ?  356  GLU A CD   1 
ATOM   5005 O  OE1  . GLU A 1 356 ? -32.328 55.619 16.424  1.00 11.03  ?  356  GLU A OE1  1 
ATOM   5006 O  OE2  . GLU A 1 356 ? -30.385 54.854 17.077  1.00 10.46  -1 356  GLU A OE2  1 
ATOM   5007 H  H    . GLU A 1 356 ? -32.410 51.364 14.107  1.00 8.03   ?  356  GLU A H    1 
ATOM   5008 H  HA   . GLU A 1 356 ? -33.657 51.202 16.454  1.00 8.43   ?  356  GLU A HA   1 
ATOM   5009 H  HB2  . GLU A 1 356 ? -33.428 53.536 14.850  1.00 8.70   ?  356  GLU A HB2  1 
ATOM   5010 H  HB3  . GLU A 1 356 ? -33.979 53.567 16.335  1.00 8.70   ?  356  GLU A HB3  1 
ATOM   5011 H  HG2  . GLU A 1 356 ? -31.840 52.710 17.048  1.00 9.21   ?  356  GLU A HG2  1 
ATOM   5012 H  HG3  . GLU A 1 356 ? -31.322 52.941 15.574  1.00 9.22   ?  356  GLU A HG3  1 
ATOM   5013 N  N    . ALA A 1 357 ? -35.716 51.770 14.050  1.00 8.12   ?  357  ALA A N    1 
ATOM   5014 C  CA   . ALA A 1 357 ? -37.133 51.747 13.727  1.00 8.22   ?  357  ALA A CA   1 
ATOM   5015 C  C    . ALA A 1 357 ? -37.737 50.405 14.114  1.00 8.10   ?  357  ALA A C    1 
ATOM   5016 O  O    . ALA A 1 357 ? -38.866 50.354 14.609  1.00 8.67   ?  357  ALA A O    1 
ATOM   5017 C  CB   . ALA A 1 357 ? -37.324 52.018 12.267  1.00 8.70   ?  357  ALA A CB   1 
ATOM   5018 H  H    . ALA A 1 357 ? -35.105 51.897 13.383  1.00 8.26   ?  357  ALA A H    1 
ATOM   5019 H  HA   . ALA A 1 357 ? -37.584 52.455 14.244  1.00 8.29   ?  357  ALA A HA   1 
ATOM   5020 H  HB1  . ALA A 1 357 ? -38.272 52.006 12.055  1.00 8.61   ?  357  ALA A HB1  1 
ATOM   5021 H  HB2  . ALA A 1 357 ? -36.955 52.890 12.047  1.00 8.56   ?  357  ALA A HB2  1 
ATOM   5022 H  HB3  . ALA A 1 357 ? -36.868 51.335 11.747  1.00 8.61   ?  357  ALA A HB3  1 
ATOM   5023 N  N    . GLN A 1 358 ? -37.025 49.317 13.803  1.00 7.80   ?  358  GLN A N    1 
ATOM   5024 C  CA   . GLN A 1 358 ? -37.480 47.988 14.176  1.00 7.57   ?  358  GLN A CA   1 
ATOM   5025 C  C    . GLN A 1 358 ? -37.570 47.813 15.680  1.00 7.36   ?  358  GLN A C    1 
ATOM   5026 O  O    . GLN A 1 358 ? -38.535 47.239 16.199  1.00 7.77   ?  358  GLN A O    1 
ATOM   5027 C  CB   . GLN A 1 358 ? -36.630 46.913 13.508  1.00 6.67   ?  358  GLN A CB   1 
ATOM   5028 C  CG   . GLN A 1 358 ? -36.923 46.864 12.024  1.00 6.91   ?  358  GLN A CG   1 
ATOM   5029 C  CD   . GLN A 1 358 ? -35.986 45.902 11.322  1.00 6.65   ?  358  GLN A CD   1 
ATOM   5030 O  OE1  . GLN A 1 358 ? -34.767 46.206 11.071  1.00 8.70   ?  358  GLN A OE1  1 
ATOM   5031 N  NE2  . GLN A 1 358 ? -36.483 44.751 10.989  1.00 5.76   ?  358  GLN A NE2  1 
ATOM   5032 H  H    . GLN A 1 358 ? -36.241 49.404 13.341  1.00 7.74   ?  358  GLN A H    1 
ATOM   5033 H  HA   . GLN A 1 358 ? -38.394 47.893 13.824  1.00 7.45   ?  358  GLN A HA   1 
ATOM   5034 H  HB2  . GLN A 1 358 ? -35.682 47.116 13.652  1.00 6.85   ?  358  GLN A HB2  1 
ATOM   5035 H  HB3  . GLN A 1 358 ? -36.827 46.045 13.915  1.00 6.88   ?  358  GLN A HB3  1 
ATOM   5036 H  HG2  . GLN A 1 358 ? -37.852 46.580 11.884  1.00 6.76   ?  358  GLN A HG2  1 
ATOM   5037 H  HG3  . GLN A 1 358 ? -36.818 47.759 11.639  1.00 6.80   ?  358  GLN A HG3  1 
ATOM   5038 H  HE21 . GLN A 1 358 ? -37.320 44.553 11.188  1.00 5.92   ?  358  GLN A HE21 1 
ATOM   5039 H  HE22 . GLN A 1 358 ? -35.982 44.161 10.561  1.00 5.90   ?  358  GLN A HE22 1 
ATOM   5040 N  N    . LEU A 1 359 ? -36.555 48.247 16.432  1.00 7.48   ?  359  LEU A N    1 
ATOM   5041 C  CA   . LEU A 1 359 ? -36.644 48.114 17.891  1.00 7.92   ?  359  LEU A CA   1 
ATOM   5042 C  C    . LEU A 1 359 ? -37.916 48.797 18.412  1.00 8.26   ?  359  LEU A C    1 
ATOM   5043 O  O    . LEU A 1 359 ? -38.672 48.207 19.181  1.00 8.66   ?  359  LEU A O    1 
ATOM   5044 C  CB   . LEU A 1 359 ? -35.426 48.742 18.573  1.00 8.59   ?  359  LEU A CB   1 
ATOM   5045 C  CG   . LEU A 1 359 ? -34.071 48.133 18.213  1.00 9.73   ?  359  LEU A CG   1 
ATOM   5046 C  CD1  . LEU A 1 359 ? -32.969 48.799 19.017  1.00 11.04  ?  359  LEU A CD1  1 
ATOM   5047 C  CD2  . LEU A 1 359 ? -34.061 46.640 18.475  1.00 10.39  ?  359  LEU A CD2  1 
ATOM   5048 H  H    . LEU A 1 359 ? -35.815 48.625 16.052  1.00 7.56   ?  359  LEU A H    1 
ATOM   5049 H  HA   . LEU A 1 359 ? -36.689 47.157 18.114  1.00 8.01   ?  359  LEU A HA   1 
ATOM   5050 H  HB2  . LEU A 1 359 ? -35.406 49.694 18.347  1.00 8.62   ?  359  LEU A HB2  1 
ATOM   5051 H  HB3  . LEU A 1 359 ? -35.548 48.673 19.541  1.00 8.57   ?  359  LEU A HB3  1 
ATOM   5052 H  HG   . LEU A 1 359 ? -33.897 48.287 17.254  1.00 9.83   ?  359  LEU A HG   1 
ATOM   5053 H  HD11 . LEU A 1 359 ? -32.104 48.559 18.643  1.00 10.75  ?  359  LEU A HD11 1 
ATOM   5054 H  HD12 . LEU A 1 359 ? -33.016 48.501 19.942  1.00 10.76  ?  359  LEU A HD12 1 
ATOM   5055 H  HD13 . LEU A 1 359 ? -33.080 49.765 18.982  1.00 10.72  ?  359  LEU A HD13 1 
ATOM   5056 H  HD21 . LEU A 1 359 ? -34.624 46.189 17.821  1.00 10.22  ?  359  LEU A HD21 1 
ATOM   5057 H  HD22 . LEU A 1 359 ? -34.401 46.470 19.368  1.00 10.24  ?  359  LEU A HD22 1 
ATOM   5058 H  HD23 . LEU A 1 359 ? -33.150 46.303 18.405  1.00 10.19  ?  359  LEU A HD23 1 
ATOM   5059 N  N    . ASP A 1 360 ? -38.167 50.028 17.982  1.00 8.88   ?  360  ASP A N    1 
ATOM   5060 C  CA   . ASP A 1 360 ? -39.271 50.787 18.524  1.00 10.45  ?  360  ASP A CA   1 
ATOM   5061 C  C    . ASP A 1 360 ? -40.597 50.233 18.022  1.00 9.91   ?  360  ASP A C    1 
ATOM   5062 O  O    . ASP A 1 360 ? -41.541 50.129 18.789  1.00 11.69  ?  360  ASP A O    1 
ATOM   5063 C  CB   . ASP A 1 360 ? -39.050 52.266 18.249  1.00 11.99  ?  360  ASP A CB   1 
ATOM   5064 C  CG   . ASP A 1 360 ? -37.880 52.795 19.073  1.00 12.43  ?  360  ASP A CG   1 
ATOM   5065 O  OD1  . ASP A 1 360 ? -37.726 52.395 20.257  1.00 14.87  ?  360  ASP A OD1  1 
ATOM   5066 O  OD2  . ASP A 1 360 ? -37.131 53.585 18.546  1.00 14.28  -1 360  ASP A OD2  1 
ATOM   5067 H  H    . ASP A 1 360 ? -37.638 50.405 17.339  1.00 8.90   ?  360  ASP A H    1 
ATOM   5068 H  HA   . ASP A 1 360 ? -39.257 50.670 19.503  1.00 10.30  ?  360  ASP A HA   1 
ATOM   5069 H  HB2  . ASP A 1 360 ? -38.859 52.403 17.298  1.00 11.78  ?  360  ASP A HB2  1 
ATOM   5070 H  HB3  . ASP A 1 360 ? -39.857 52.770 18.481  1.00 11.66  ?  360  ASP A HB3  1 
ATOM   5071 N  N    . ALA A 1 361 ? -40.664 49.797 16.762  1.00 8.95   ?  361  ALA A N    1 
ATOM   5072 C  CA   . ALA A 1 361 ? -41.887 49.220 16.209  1.00 8.61   ?  361  ALA A CA   1 
ATOM   5073 C  C    . ALA A 1 361 ? -42.253 47.925 16.934  1.00 8.48   ?  361  ALA A C    1 
ATOM   5074 O  O    . ALA A 1 361 ? -43.402 47.700 17.290  1.00 9.69   ?  361  ALA A O    1 
ATOM   5075 C  CB   . ALA A 1 361 ? -41.738 48.992 14.719  1.00 9.03   ?  361  ALA A CB   1 
ATOM   5076 H  H    . ALA A 1 361 ? -39.928 49.866 16.223  1.00 9.12   ?  361  ALA A H    1 
ATOM   5077 H  HA   . ALA A 1 361 ? -42.619 49.865 16.351  1.00 8.72   ?  361  ALA A HA   1 
ATOM   5078 H  HB1  . ALA A 1 361 ? -42.598 48.746 14.339  1.00 8.92   ?  361  ALA A HB1  1 
ATOM   5079 H  HB2  . ALA A 1 361 ? -41.419 49.806 14.296  1.00 8.97   ?  361  ALA A HB2  1 
ATOM   5080 H  HB3  . ALA A 1 361 ? -41.099 48.277 14.562  1.00 8.95   ?  361  ALA A HB3  1 
ATOM   5081 N  N    . PHE A 1 362 ? -41.250 47.068 17.107  1.00 8.01   ?  362  PHE A N    1 
ATOM   5082 C  CA   . PHE A 1 362 ? -41.492 45.732 17.640  1.00 8.24   ?  362  PHE A CA   1 
ATOM   5083 C  C    . PHE A 1 362 ? -41.765 45.771 19.135  1.00 8.61   ?  362  PHE A C    1 
ATOM   5084 O  O    . PHE A 1 362 ? -42.515 44.937 19.656  1.00 10.63  ?  362  PHE A O    1 
ATOM   5085 C  CB   . PHE A 1 362 ? -40.339 44.803 17.279  1.00 7.63   ?  362  PHE A CB   1 
ATOM   5086 C  CG   . PHE A 1 362 ? -40.095 44.652 15.797  1.00 7.20   ?  362  PHE A CG   1 
ATOM   5087 C  CD1  . PHE A 1 362 ? -41.024 45.026 14.830  1.00 7.54   ?  362  PHE A CD1  1 
ATOM   5088 C  CD2  . PHE A 1 362 ? -38.875 44.117 15.360  1.00 7.76   ?  362  PHE A CD2  1 
ATOM   5089 C  CE1  . PHE A 1 362 ? -40.735 44.865 13.501  1.00 7.78   ?  362  PHE A CE1  1 
ATOM   5090 C  CE2  . PHE A 1 362 ? -38.605 44.002 14.010  1.00 7.92   ?  362  PHE A CE2  1 
ATOM   5091 C  CZ   . PHE A 1 362 ? -39.536 44.358 13.101  1.00 8.24   ?  362  PHE A CZ   1 
ATOM   5092 H  H    . PHE A 1 362 ? -40.397 47.312 16.889  1.00 8.12   ?  362  PHE A H    1 
ATOM   5093 H  HA   . PHE A 1 362 ? -42.309 45.378 17.205  1.00 8.14   ?  362  PHE A HA   1 
ATOM   5094 H  HB2  . PHE A 1 362 ? -39.523 45.146 17.700  1.00 7.65   ?  362  PHE A HB2  1 
ATOM   5095 H  HB3  . PHE A 1 362 ? -40.523 43.919 17.660  1.00 7.63   ?  362  PHE A HB3  1 
ATOM   5096 H  HD1  . PHE A 1 362 ? -41.859 45.379 15.089  1.00 7.52   ?  362  PHE A HD1  1 
ATOM   5097 H  HD2  . PHE A 1 362 ? -38.218 43.874 15.993  1.00 7.72   ?  362  PHE A HD2  1 
ATOM   5098 H  HE1  . PHE A 1 362 ? -41.372 45.121 12.853  1.00 7.71   ?  362  PHE A HE1  1 
ATOM   5099 H  HE2  . PHE A 1 362 ? -37.784 43.637 13.724  1.00 7.93   ?  362  PHE A HE2  1 
ATOM   5100 H  HZ   . PHE A 1 362 ? -39.355 44.257 12.181  1.00 7.98   ?  362  PHE A HZ   1 
ATOM   5101 N  N    . GLU A 1 363 ? -41.268 46.808 19.808  1.00 8.86   ?  363  GLU A N    1 
ATOM   5102 C  CA   . GLU A 1 363 ? -41.606 47.013 21.213  1.00 9.34   ?  363  GLU A CA   1 
ATOM   5103 C  C    . GLU A 1 363 ? -42.993 47.628 21.388  1.00 10.20  ?  363  GLU A C    1 
ATOM   5104 O  O    . GLU A 1 363 ? -43.487 47.666 22.511  1.00 12.12  ?  363  GLU A O    1 
ATOM   5105 C  CB   . GLU A 1 363 ? -40.550 47.823 21.959  1.00 9.18   ?  363  GLU A CB   1 
ATOM   5106 C  CG   . GLU A 1 363 ? -39.224 47.100 22.047  1.00 9.37   ?  363  GLU A CG   1 
ATOM   5107 C  CD   . GLU A 1 363 ? -38.170 47.717 22.932  1.00 10.83  ?  363  GLU A CD   1 
ATOM   5108 O  OE1  . GLU A 1 363 ? -38.517 48.598 23.764  1.00 15.71  ?  363  GLU A OE1  1 
ATOM   5109 O  OE2  . GLU A 1 363 ? -36.994 47.336 22.808  1.00 10.74  -1 363  GLU A OE2  1 
ATOM   5110 H  H    . GLU A 1 363 ? -40.700 47.395 19.397  1.00 8.88   ?  363  GLU A H    1 
ATOM   5111 H  HA   . GLU A 1 363 ? -41.632 46.122 21.632  1.00 9.37   ?  363  GLU A HA   1 
ATOM   5112 H  HB2  . GLU A 1 363 ? -40.421 48.678 21.497  1.00 9.27   ?  363  GLU A HB2  1 
ATOM   5113 H  HB3  . GLU A 1 363 ? -40.876 48.011 22.864  1.00 9.29   ?  363  GLU A HB3  1 
ATOM   5114 H  HG2  . GLU A 1 363 ? -39.391 46.189 22.371  1.00 9.48   ?  363  GLU A HG2  1 
ATOM   5115 H  HG3  . GLU A 1 363 ? -38.852 47.019 21.146  1.00 9.54   ?  363  GLU A HG3  1 
ATOM   5116 N  N    . LEU A 1 364 ? -43.704 47.982 20.322  1.00 10.52  ?  364  LEU A N    1 
ATOM   5117 C  CA   . LEU A 1 364 ? -45.109 48.344 20.461  1.00 11.54  ?  364  LEU A CA   1 
ATOM   5118 C  C    . LEU A 1 364 ? -45.931 47.142 20.883  1.00 11.85  ?  364  LEU A C    1 
ATOM   5119 O  O    . LEU A 1 364 ? -47.010 47.319 21.419  1.00 14.55  ?  364  LEU A O    1 
ATOM   5120 C  CB   . LEU A 1 364 ? -45.670 48.859 19.142  1.00 11.98  ?  364  LEU A CB   1 
ATOM   5121 C  CG   . LEU A 1 364 ? -45.096 50.193 18.662  1.00 13.66  ?  364  LEU A CG   1 
ATOM   5122 C  CD1  . LEU A 1 364 ? -45.676 50.559 17.311  1.00 14.23  ?  364  LEU A CD1  1 
ATOM   5123 C  CD2  . LEU A 1 364 ? -45.398 51.300 19.629  1.00 14.89  ?  364  LEU A CD2  1 
ATOM   5124 H  H    . LEU A 1 364 ? -43.314 48.018 19.496  1.00 10.46  ?  364  LEU A H    1 
ATOM   5125 H  HA   . LEU A 1 364 ? -45.188 49.041 21.152  1.00 11.48  ?  364  LEU A HA   1 
ATOM   5126 H  HB2  . LEU A 1 364 ? -45.509 48.184 18.453  1.00 12.14  ?  364  LEU A HB2  1 
ATOM   5127 H  HB3  . LEU A 1 364 ? -46.638 48.957 19.237  1.00 12.16  ?  364  LEU A HB3  1 
ATOM   5128 H  HG   . LEU A 1 364 ? -44.116 50.106 18.574  1.00 13.61  ?  364  LEU A HG   1 
ATOM   5129 H  HD11 . LEU A 1 364 ? -45.167 51.294 16.927  1.00 14.07  ?  364  LEU A HD11 1 
ATOM   5130 H  HD12 . LEU A 1 364 ? -46.605 50.830 17.418  1.00 14.05  ?  364  LEU A HD12 1 
ATOM   5131 H  HD13 . LEU A 1 364 ? -45.630 49.789 16.718  1.00 14.16  ?  364  LEU A HD13 1 
ATOM   5132 H  HD21 . LEU A 1 364 ? -44.884 51.170 20.445  1.00 14.55  ?  364  LEU A HD21 1 
ATOM   5133 H  HD22 . LEU A 1 364 ? -46.349 51.296 19.841  1.00 14.65  ?  364  LEU A HD22 1 
ATOM   5134 H  HD23 . LEU A 1 364 ? -45.159 52.155 19.230  1.00 14.63  ?  364  LEU A HD23 1 
ATOM   5135 N  N    . LYS A 1 365 ? -45.479 45.943 20.519  1.00 10.72  ?  365  LYS A N    1 
ATOM   5136 C  CA   . LYS A 1 365 ? -46.170 44.705 20.846  1.00 11.17  ?  365  LYS A CA   1 
ATOM   5137 C  C    . LYS A 1 365 ? -45.394 44.045 21.986  1.00 10.89  ?  365  LYS A C    1 
ATOM   5138 O  O    . LYS A 1 365 ? -45.605 44.441 23.077  1.00 17.34  ?  365  LYS A O    1 
ATOM   5139 C  CB   . LYS A 1 365 ? -46.444 43.898 19.581  1.00 11.05  ?  365  LYS A CB   1 
ATOM   5140 C  CG   . LYS A 1 365 ? -47.323 42.671 19.786  1.00 12.49  ?  365  LYS A CG   1 
ATOM   5141 C  CD   . LYS A 1 365 ? -48.671 42.946 20.421  1.00 12.71  ?  365  LYS A CD   1 
ATOM   5142 C  CE   . LYS A 1 365 ? -49.594 41.764 20.270  1.00 15.26  ?  365  LYS A CE   1 
ATOM   5143 N  NZ   . LYS A 1 365 ? -50.888 42.000 20.943  1.00 18.06  1  365  LYS A NZ   1 
ATOM   5144 H  H    . LYS A 1 365 ? -44.709 45.890 20.030  1.00 11.05  ?  365  LYS A H    1 
ATOM   5145 H  HA   . LYS A 1 365 ? -47.047 44.958 21.213  1.00 11.03  ?  365  LYS A HA   1 
ATOM   5146 H  HB2  . LYS A 1 365 ? -46.880 44.486 18.928  1.00 11.22  ?  365  LYS A HB2  1 
ATOM   5147 H  HB3  . LYS A 1 365 ? -45.590 43.613 19.200  1.00 11.23  ?  365  LYS A HB3  1 
ATOM   5148 H  HG2  . LYS A 1 365 ? -47.467 42.244 18.915  1.00 12.24  ?  365  LYS A HG2  1 
ATOM   5149 H  HG3  . LYS A 1 365 ? -46.836 42.033 20.350  1.00 12.12  ?  365  LYS A HG3  1 
ATOM   5150 H  HD2  . LYS A 1 365 ? -48.550 43.142 21.374  1.00 12.98  ?  365  LYS A HD2  1 
ATOM   5151 H  HD3  . LYS A 1 365 ? -49.078 43.730 19.994  1.00 13.03  ?  365  LYS A HD3  1 
ATOM   5152 H  HE2  . LYS A 1 365 ? -49.753 41.587 19.326  1.00 14.87  ?  365  LYS A HE2  1 
ATOM   5153 H  HE3  . LYS A 1 365 ? -49.173 40.975 20.659  1.00 14.88  ?  365  LYS A HE3  1 
ATOM   5154 H  HZ1  . LYS A 1 365 ? -51.304 42.713 20.567  1.00 17.43  ?  365  LYS A HZ1  1 
ATOM   5155 H  HZ2  . LYS A 1 365 ? -50.750 42.168 21.824  1.00 17.49  ?  365  LYS A HZ2  1 
ATOM   5156 H  HZ3  . LYS A 1 365 ? -51.416 41.268 20.859  1.00 17.20  ?  365  LYS A HZ3  1 
ATOM   5157 N  N    . SER A 1 366 ? -44.648 42.976 21.762  1.00 10.48  ?  366  SER A N    1 
ATOM   5158 C  CA   . SER A 1 366 ? -44.069 42.184 22.823  1.00 9.23   ?  366  SER A CA   1 
ATOM   5159 C  C    . SER A 1 366 ? -42.558 42.106 22.717  1.00 8.24   ?  366  SER A C    1 
ATOM   5160 O  O    . SER A 1 366 ? -41.950 41.478 23.560  1.00 9.84   ?  366  SER A O    1 
ATOM   5161 C  CB   . SER A 1 366 ? -44.638 40.788 22.843  1.00 10.64  ?  366  SER A CB   1 
ATOM   5162 O  OG   . SER A 1 366 ? -46.053 40.778 22.709  1.00 10.60  ?  366  SER A OG   1 
ATOM   5163 H  H    . SER A 1 366 ? -44.503 42.714 20.899  1.00 10.08  ?  366  SER A H    1 
ATOM   5164 H  HA   . SER A 1 366 ? -44.290 42.620 23.687  1.00 9.47   ?  366  SER A HA   1 
ATOM   5165 H  HB2  . SER A 1 366 ? -44.238 40.266 22.116  1.00 10.29  ?  366  SER A HB2  1 
ATOM   5166 H  HB3  . SER A 1 366 ? -44.395 40.356 23.690  1.00 10.45  ?  366  SER A HB3  1 
ATOM   5167 H  HG   . SER A 1 366 ? -46.247 40.738 21.889  0.00 10.86  ?  366  SER A HG   1 
ATOM   5168 N  N    . GLY A 1 367 ? -41.953 42.703 21.701  1.00 8.43   ?  367  GLY A N    1 
ATOM   5169 C  CA   . GLY A 1 367 ? -40.515 42.718 21.564  1.00 7.68   ?  367  GLY A CA   1 
ATOM   5170 C  C    . GLY A 1 367 ? -40.040 41.897 20.389  1.00 6.95   ?  367  GLY A C    1 
ATOM   5171 O  O    . GLY A 1 367 ? -40.764 41.647 19.413  1.00 7.10   ?  367  GLY A O    1 
ATOM   5172 H  H    . GLY A 1 367 ? -42.454 43.126 21.065  1.00 8.14   ?  367  GLY A H    1 
ATOM   5173 H  HA2  . GLY A 1 367 ? -40.215 43.655 21.449  1.00 7.62   ?  367  GLY A HA2  1 
ATOM   5174 H  HA3  . GLY A 1 367 ? -40.108 42.369 22.393  1.00 7.72   ?  367  GLY A HA3  1 
ATOM   5175 N  N    . TRP A 1 368 ? -38.758 41.536 20.502  1.00 7.02   ?  368  TRP A N    1 
ATOM   5176 C  CA   . TRP A 1 368 ? -37.996 41.217 19.311  1.00 6.95   ?  368  TRP A CA   1 
ATOM   5177 C  C    . TRP A 1 368 ? -36.790 40.347 19.629  1.00 6.76   ?  368  TRP A C    1 
ATOM   5178 O  O    . TRP A 1 368 ? -36.234 40.374 20.726  1.00 6.82   ?  368  TRP A O    1 
ATOM   5179 C  CB   . TRP A 1 368 ? -37.530 42.535 18.646  1.00 7.45   ?  368  TRP A CB   1 
ATOM   5180 C  CG   . TRP A 1 368 ? -36.832 43.489 19.566  1.00 7.29   ?  368  TRP A CG   1 
ATOM   5181 C  CD1  . TRP A 1 368 ? -37.408 44.566 20.183  1.00 7.54   ?  368  TRP A CD1  1 
ATOM   5182 C  CD2  . TRP A 1 368 ? -35.450 43.491 20.014  1.00 7.26   ?  368  TRP A CD2  1 
ATOM   5183 N  NE1  . TRP A 1 368 ? -36.506 45.229 20.968  1.00 7.90   ?  368  TRP A NE1  1 
ATOM   5184 C  CE2  . TRP A 1 368 ? -35.305 44.590 20.894  1.00 7.49   ?  368  TRP A CE2  1 
ATOM   5185 C  CE3  . TRP A 1 368 ? -34.297 42.736 19.742  1.00 6.99   ?  368  TRP A CE3  1 
ATOM   5186 C  CZ2  . TRP A 1 368 ? -34.078 44.939 21.446  1.00 7.61   ?  368  TRP A CZ2  1 
ATOM   5187 C  CZ3  . TRP A 1 368 ? -33.096 43.043 20.362  1.00 7.11   ?  368  TRP A CZ3  1 
ATOM   5188 C  CH2  . TRP A 1 368 ? -32.990 44.147 21.186  1.00 7.72   ?  368  TRP A CH2  1 
ATOM   5189 H  H    . TRP A 1 368 ? -38.357 41.485 21.321  1.00 6.99   ?  368  TRP A H    1 
ATOM   5190 H  HA   . TRP A 1 368 ? -38.584 40.739 18.680  1.00 6.96   ?  368  TRP A HA   1 
ATOM   5191 H  HB2  . TRP A 1 368 ? -36.934 42.312 17.910  1.00 7.33   ?  368  TRP A HB2  1 
ATOM   5192 H  HB3  . TRP A 1 368 ? -38.315 42.979 18.266  1.00 7.31   ?  368  TRP A HB3  1 
ATOM   5193 H  HD1  . TRP A 1 368 ? -38.320 44.803 20.109  1.00 7.52   ?  368  TRP A HD1  1 
ATOM   5194 H  HE1  . TRP A 1 368 ? -36.677 45.942 21.447  1.00 7.72   ?  368  TRP A HE1  1 
ATOM   5195 H  HE3  . TRP A 1 368 ? -34.355 41.980 19.180  1.00 6.99   ?  368  TRP A HE3  1 
ATOM   5196 H  HZ2  . TRP A 1 368 ? -34.011 45.670 22.036  1.00 7.51   ?  368  TRP A HZ2  1 
ATOM   5197 H  HZ3  . TRP A 1 368 ? -32.331 42.520 20.184  1.00 7.15   ?  368  TRP A HZ3  1 
ATOM   5198 H  HH2  . TRP A 1 368 ? -32.165 44.344 21.595  1.00 7.53   ?  368  TRP A HH2  1 
ATOM   5199 N  N    . VAL A 1 369 ? -36.347 39.595 18.614  1.00 6.43   ?  369  VAL A N    1 
ATOM   5200 C  CA   . VAL A 1 369 ? -35.196 38.728 18.742  1.00 6.41   ?  369  VAL A CA   1 
ATOM   5201 C  C    . VAL A 1 369 ? -34.417 38.803 17.423  1.00 6.39   ?  369  VAL A C    1 
ATOM   5202 O  O    . VAL A 1 369 ? -34.874 38.305 16.380  1.00 6.63   ?  369  VAL A O    1 
ATOM   5203 C  CB   . VAL A 1 369 ? -35.547 37.262 19.053  1.00 6.45   ?  369  VAL A CB   1 
ATOM   5204 C  CG1  . VAL A 1 369 ? -34.280 36.466 19.356  1.00 6.36   ?  369  VAL A CG1  1 
ATOM   5205 C  CG2  . VAL A 1 369 ? -36.556 37.132 20.178  1.00 7.17   ?  369  VAL A CG2  1 
ATOM   5206 H  H    . VAL A 1 369 ? -36.784 39.626 17.812  1.00 6.50   ?  369  VAL A H    1 
ATOM   5207 H  HA   . VAL A 1 369 ? -34.631 39.067 19.455  1.00 6.45   ?  369  VAL A HA   1 
ATOM   5208 H  HB   . VAL A 1 369 ? -35.955 36.878 18.241  1.00 6.50   ?  369  VAL A HB   1 
ATOM   5209 H  HG11 . VAL A 1 369 ? -33.863 36.815 20.162  1.00 6.38   ?  369  VAL A HG11 1 
ATOM   5210 H  HG12 . VAL A 1 369 ? -33.660 36.541 18.612  1.00 6.39   ?  369  VAL A HG12 1 
ATOM   5211 H  HG13 . VAL A 1 369 ? -34.511 35.531 19.491  1.00 6.39   ?  369  VAL A HG13 1 
ATOM   5212 H  HG21 . VAL A 1 369 ? -36.673 36.192 20.402  1.00 6.97   ?  369  VAL A HG21 1 
ATOM   5213 H  HG22 . VAL A 1 369 ? -37.409 37.505 19.895  1.00 6.97   ?  369  VAL A HG22 1 
ATOM   5214 H  HG23 . VAL A 1 369 ? -36.235 37.614 20.960  1.00 6.98   ?  369  VAL A HG23 1 
ATOM   5215 N  N    . PHE A 1 370 ? -33.262 39.447 17.417  1.00 6.52   ?  370  PHE A N    1 
ATOM   5216 C  CA   . PHE A 1 370 ? -32.508 39.715 16.201  1.00 6.48   ?  370  PHE A CA   1 
ATOM   5217 C  C    . PHE A 1 370 ? -31.925 38.399 15.696  1.00 6.26   ?  370  PHE A C    1 
ATOM   5218 O  O    . PHE A 1 370 ? -31.430 37.558 16.442  1.00 6.37   ?  370  PHE A O    1 
ATOM   5219 C  CB   . PHE A 1 370 ? -31.420 40.717 16.548  1.00 6.20   ?  370  PHE A CB   1 
ATOM   5220 C  CG   . PHE A 1 370 ? -30.546 41.134 15.396  1.00 6.18   ?  370  PHE A CG   1 
ATOM   5221 C  CD1  . PHE A 1 370 ? -30.889 42.245 14.646  1.00 6.45   ?  370  PHE A CD1  1 
ATOM   5222 C  CD2  . PHE A 1 370 ? -29.370 40.471 15.080  1.00 6.37   ?  370  PHE A CD2  1 
ATOM   5223 C  CE1  . PHE A 1 370 ? -30.086 42.702 13.615  1.00 6.82   ?  370  PHE A CE1  1 
ATOM   5224 C  CE2  . PHE A 1 370 ? -28.568 40.920 14.036  1.00 6.48   ?  370  PHE A CE2  1 
ATOM   5225 C  CZ   . PHE A 1 370 ? -28.930 42.054 13.326  1.00 6.77   ?  370  PHE A CZ   1 
ATOM   5226 H  H    . PHE A 1 370 ? -32.919 39.737 18.213  1.00 6.44   ?  370  PHE A H    1 
ATOM   5227 H  HA   . PHE A 1 370 ? -33.110 40.099 15.514  1.00 6.39   ?  370  PHE A HA   1 
ATOM   5228 H  HB2  . PHE A 1 370 ? -31.845 41.514 16.926  1.00 6.21   ?  370  PHE A HB2  1 
ATOM   5229 H  HB3  . PHE A 1 370 ? -30.854 40.323 17.243  1.00 6.24   ?  370  PHE A HB3  1 
ATOM   5230 H  HD1  . PHE A 1 370 ? -31.674 42.719 14.862  1.00 6.47   ?  370  PHE A HD1  1 
ATOM   5231 H  HD2  . PHE A 1 370 ? -29.108 39.717 15.584  1.00 6.36   ?  370  PHE A HD2  1 
ATOM   5232 H  HE1  . PHE A 1 370 ? -30.342 43.462 13.116  1.00 6.69   ?  370  PHE A HE1  1 
ATOM   5233 H  HE2  . PHE A 1 370 ? -27.768 40.465 13.826  1.00 6.51   ?  370  PHE A HE2  1 
ATOM   5234 H  HZ   . PHE A 1 370 ? -28.399 42.341 12.600  1.00 6.69   ?  370  PHE A HZ   1 
ATOM   5235 N  N    . TRP A 1 371 ? -31.874 38.274 14.350  1.00 6.44   ?  371  TRP A N    1 
ATOM   5236 C  CA   . TRP A 1 371 ? -31.149 37.188 13.678  1.00 6.27   ?  371  TRP A CA   1 
ATOM   5237 C  C    . TRP A 1 371 ? -29.932 37.798 12.980  1.00 6.20   ?  371  TRP A C    1 
ATOM   5238 O  O    . TRP A 1 371 ? -30.137 38.579 12.037  1.00 6.63   ?  371  TRP A O    1 
ATOM   5239 C  CB   . TRP A 1 371 ? -32.044 36.458 12.664  1.00 6.50   ?  371  TRP A CB   1 
ATOM   5240 C  CG   . TRP A 1 371 ? -31.420 35.227 12.119  1.00 6.38   ?  371  TRP A CG   1 
ATOM   5241 C  CD1  . TRP A 1 371 ? -30.492 35.167 11.122  1.00 6.87   ?  371  TRP A CD1  1 
ATOM   5242 C  CD2  . TRP A 1 371 ? -31.571 33.891 12.603  1.00 6.61   ?  371  TRP A CD2  1 
ATOM   5243 N  NE1  . TRP A 1 371 ? -30.076 33.867 10.950  1.00 6.79   ?  371  TRP A NE1  1 
ATOM   5244 C  CE2  . TRP A 1 371 ? -30.733 33.065 11.844  1.00 7.10   ?  371  TRP A CE2  1 
ATOM   5245 C  CE3  . TRP A 1 371 ? -32.391 33.272 13.546  1.00 6.98   ?  371  TRP A CE3  1 
ATOM   5246 C  CZ2  . TRP A 1 371 ? -30.691 31.698 11.986  1.00 6.96   ?  371  TRP A CZ2  1 
ATOM   5247 C  CZ3  . TRP A 1 371 ? -32.320 31.917 13.719  1.00 7.18   ?  371  TRP A CZ3  1 
ATOM   5248 C  CH2  . TRP A 1 371 ? -31.473 31.127 12.955  1.00 6.90   ?  371  TRP A CH2  1 
ATOM   5249 H  H    . TRP A 1 371 ? -32.309 38.890 13.833  1.00 6.38   ?  371  TRP A H    1 
ATOM   5250 H  HA   . TRP A 1 371 ? -30.855 36.539 14.354  1.00 6.33   ?  371  TRP A HA   1 
ATOM   5251 H  HB2  . TRP A 1 371 ? -32.886 36.224 13.105  1.00 6.43   ?  371  TRP A HB2  1 
ATOM   5252 H  HB3  . TRP A 1 371 ? -32.248 37.071 11.929  1.00 6.38   ?  371  TRP A HB3  1 
ATOM   5253 H  HD1  . TRP A 1 371 ? -30.143 35.909 10.654  1.00 6.70   ?  371  TRP A HD1  1 
ATOM   5254 H  HE1  . TRP A 1 371 ? -29.492 33.594 10.362  1.00 6.82   ?  371  TRP A HE1  1 
ATOM   5255 H  HE3  . TRP A 1 371 ? -32.958 33.791 14.088  1.00 6.90   ?  371  TRP A HE3  1 
ATOM   5256 H  HZ2  . TRP A 1 371 ? -30.110 31.177 11.460  1.00 6.91   ?  371  TRP A HZ2  1 
ATOM   5257 H  HZ3  . TRP A 1 371 ? -32.853 31.509 14.383  1.00 7.09   ?  371  TRP A HZ3  1 
ATOM   5258 H  HH2  . TRP A 1 371 ? -31.449 30.196 13.089  1.00 6.95   ?  371  TRP A HH2  1 
ATOM   5259 N  N    . THR A 1 372 ? -28.698 37.531 13.391  1.00 6.44   ?  372  THR A N    1 
ATOM   5260 C  CA   . THR A 1 372 ? -28.272 36.514 14.341  1.00 6.23   ?  372  THR A CA   1 
ATOM   5261 C  C    . THR A 1 372 ? -27.098 37.109 15.112  1.00 6.50   ?  372  THR A C    1 
ATOM   5262 O  O    . THR A 1 372 ? -26.587 38.171 14.824  1.00 6.97   ?  372  THR A O    1 
ATOM   5263 C  CB   . THR A 1 372 ? -27.953 35.196 13.624  1.00 6.51   ?  372  THR A CB   1 
ATOM   5264 O  OG1  . THR A 1 372 ? -27.717 34.151 14.571  1.00 6.92   ?  372  THR A OG1  1 
ATOM   5265 C  CG2  . THR A 1 372 ? -26.793 35.327 12.659  1.00 6.71   ?  372  THR A CG2  1 
ATOM   5266 H  H    . THR A 1 372 ? -28.039 38.049 13.026  1.00 6.30   ?  372  THR A H    1 
ATOM   5267 H  HA   . THR A 1 372 ? -29.006 36.356 14.975  1.00 6.35   ?  372  THR A HA   1 
ATOM   5268 H  HB   . THR A 1 372 ? -28.750 34.950 13.101  1.00 6.52   ?  372  THR A HB   1 
ATOM   5269 H  HG1  . THR A 1 372 ? -27.063 34.362 15.064  0.00 6.91   ?  372  THR A HG1  1 
ATOM   5270 H  HG21 . THR A 1 372 ? -26.677 34.490 12.175  1.00 6.67   ?  372  THR A HG21 1 
ATOM   5271 H  HG22 . THR A 1 372 ? -25.977 35.528 13.153  1.00 6.66   ?  372  THR A HG22 1 
ATOM   5272 H  HG23 . THR A 1 372 ? -26.973 36.044 12.026  1.00 6.65   ?  372  THR A HG23 1 
ATOM   5273 N  N    . TRP A 1 373 ? -26.604 36.362 16.132  1.00 6.36   ?  373  TRP A N    1 
ATOM   5274 C  CA   . TRP A 1 373 ? -25.520 36.838 16.970  1.00 6.41   ?  373  TRP A CA   1 
ATOM   5275 C  C    . TRP A 1 373 ? -24.182 36.938 16.257  1.00 6.39   ?  373  TRP A C    1 
ATOM   5276 O  O    . TRP A 1 373 ? -23.472 37.917 16.434  1.00 6.45   ?  373  TRP A O    1 
ATOM   5277 C  CB   . TRP A 1 373 ? -25.404 35.949 18.208  1.00 6.80   ?  373  TRP A CB   1 
ATOM   5278 C  CG   . TRP A 1 373 ? -24.266 36.341 19.100  1.00 6.82   ?  373  TRP A CG   1 
ATOM   5279 C  CD1  . TRP A 1 373 ? -23.175 35.582 19.404  1.00 6.83   ?  373  TRP A CD1  1 
ATOM   5280 C  CD2  . TRP A 1 373 ? -24.113 37.580 19.840  1.00 6.81   ?  373  TRP A CD2  1 
ATOM   5281 N  NE1  . TRP A 1 373 ? -22.337 36.260 20.263  1.00 6.94   ?  373  TRP A NE1  1 
ATOM   5282 C  CE2  . TRP A 1 373 ? -22.873 37.489 20.521  1.00 6.89   ?  373  TRP A CE2  1 
ATOM   5283 C  CE3  . TRP A 1 373 ? -24.883 38.736 19.965  1.00 7.41   ?  373  TRP A CE3  1 
ATOM   5284 C  CZ2  . TRP A 1 373 ? -22.436 38.533 21.348  1.00 7.18   ?  373  TRP A CZ2  1 
ATOM   5285 C  CZ3  . TRP A 1 373 ? -24.441 39.757 20.788  1.00 6.81   ?  373  TRP A CZ3  1 
ATOM   5286 C  CH2  . TRP A 1 373 ? -23.221 39.644 21.438  1.00 7.10   ?  373  TRP A CH2  1 
ATOM   5287 H  H    . TRP A 1 373 ? -26.962 35.538 16.299  1.00 6.38   ?  373  TRP A H    1 
ATOM   5288 H  HA   . TRP A 1 373 ? -25.768 37.741 17.281  1.00 6.46   ?  373  TRP A HA   1 
ATOM   5289 H  HB2  . TRP A 1 373 ? -26.243 36.002 18.710  1.00 6.72   ?  373  TRP A HB2  1 
ATOM   5290 H  HB3  . TRP A 1 373 ? -25.283 35.023 17.916  1.00 6.73   ?  373  TRP A HB3  1 
ATOM   5291 H  HD1  . TRP A 1 373 ? -22.996 34.723 19.053  1.00 6.82   ?  373  TRP A HD1  1 
ATOM   5292 H  HE1  . TRP A 1 373 ? -21.568 35.966 20.561  1.00 6.84   ?  373  TRP A HE1  1 
ATOM   5293 H  HE3  . TRP A 1 373 ? -25.703 38.813 19.506  1.00 7.11   ?  373  TRP A HE3  1 
ATOM   5294 H  HZ2  . TRP A 1 373 ? -21.622 38.470 21.817  1.00 7.04   ?  373  TRP A HZ2  1 
ATOM   5295 H  HZ3  . TRP A 1 373 ? -24.942 40.552 20.865  1.00 6.96   ?  373  TRP A HZ3  1 
ATOM   5296 H  HH2  . TRP A 1 373 ? -22.935 40.353 21.986  1.00 7.00   ?  373  TRP A HH2  1 
ATOM   5297 N  N    . LYS A 1 374 ? -23.884 35.927 15.432  1.00 6.12   ?  374  LYS A N    1 
ATOM   5298 C  CA   . LYS A 1 374 ? -22.540 35.734 14.902  1.00 6.93   ?  374  LYS A CA   1 
ATOM   5299 C  C    . LYS A 1 374 ? -22.586 35.004 13.557  1.00 6.86   ?  374  LYS A C    1 
ATOM   5300 O  O    . LYS A 1 374 ? -23.347 34.093 13.356  1.00 7.04   ?  374  LYS A O    1 
ATOM   5301 C  CB   . LYS A 1 374 ? -21.724 34.956 15.968  1.00 7.44   ?  374  LYS A CB   1 
ATOM   5302 C  CG   . LYS A 1 374 ? -20.275 34.710 15.642  1.00 7.99   ?  374  LYS A CG   1 
ATOM   5303 C  CD   . LYS A 1 374 ? -19.552 33.927 16.720  1.00 7.86   ?  374  LYS A CD   1 
ATOM   5304 C  CE   . LYS A 1 374 ? -19.734 34.543 18.061  1.00 7.51   ?  374  LYS A CE   1 
ATOM   5305 N  NZ   . LYS A 1 374 ? -18.939 33.880 19.095  1.00 7.31   1  374  LYS A NZ   1 
ATOM   5306 H  H    . LYS A 1 374 ? -24.538 35.336 15.193  1.00 6.33   ?  374  LYS A H    1 
ATOM   5307 H  HA   . LYS A 1 374 ? -22.127 36.618 14.769  1.00 6.86   ?  374  LYS A HA   1 
ATOM   5308 H  HB2  . LYS A 1 374 ? -21.772 35.457 16.807  1.00 7.42   ?  374  LYS A HB2  1 
ATOM   5309 H  HB3  . LYS A 1 374 ? -22.158 34.089 16.115  1.00 7.42   ?  374  LYS A HB3  1 
ATOM   5310 H  HG2  . LYS A 1 374 ? -20.218 34.217 14.797  1.00 7.82   ?  374  LYS A HG2  1 
ATOM   5311 H  HG3  . LYS A 1 374 ? -19.827 35.574 15.518  1.00 7.85   ?  374  LYS A HG3  1 
ATOM   5312 H  HD2  . LYS A 1 374 ? -19.894 33.008 16.738  1.00 7.81   ?  374  LYS A HD2  1 
ATOM   5313 H  HD3  . LYS A 1 374 ? -18.595 33.893 16.507  1.00 7.82   ?  374  LYS A HD3  1 
ATOM   5314 H  HE2  . LYS A 1 374 ? -19.480 35.485 18.023  1.00 7.54   ?  374  LYS A HE2  1 
ATOM   5315 H  HE3  . LYS A 1 374 ? -20.673 34.495 18.317  1.00 7.52   ?  374  LYS A HE3  1 
ATOM   5316 H  HZ1  . LYS A 1 374 ? -18.120 33.668 18.767  1.00 7.34   ?  374  LYS A HZ1  1 
ATOM   5317 H  HZ2  . LYS A 1 374 ? -19.357 33.121 19.366  1.00 7.31   ?  374  LYS A HZ2  1 
ATOM   5318 H  HZ3  . LYS A 1 374 ? -18.837 34.436 19.804  1.00 7.31   ?  374  LYS A HZ3  1 
ATOM   5319 N  N    . THR A 1 375 ? -21.661 35.435 12.701  1.00 7.23   ?  375  THR A N    1 
ATOM   5320 C  CA   . THR A 1 375 ? -21.521 34.913 11.332  1.00 7.50   ?  375  THR A CA   1 
ATOM   5321 C  C    . THR A 1 375 ? -20.035 34.874 11.017  1.00 7.64   ?  375  THR A C    1 
ATOM   5322 O  O    . THR A 1 375 ? -19.197 35.257 11.847  1.00 8.92   ?  375  THR A O    1 
ATOM   5323 C  CB   . THR A 1 375 ? -22.265 35.821 10.345  1.00 7.41   ?  375  THR A CB   1 
ATOM   5324 O  OG1  . THR A 1 375 ? -21.554 37.039 10.176  1.00 7.57   ?  375  THR A OG1  1 
ATOM   5325 C  CG2  . THR A 1 375 ? -23.711 36.061 10.712  1.00 7.53   ?  375  THR A CG2  1 
ATOM   5326 H  H    . THR A 1 375 ? -21.082 36.088 12.975  1.00 7.18   ?  375  THR A H    1 
ATOM   5327 H  HA   . THR A 1 375 ? -21.892 34.001 11.291  1.00 7.45   ?  375  THR A HA   1 
ATOM   5328 H  HB   . THR A 1 375 ? -22.261 35.357 9.476   1.00 7.45   ?  375  THR A HB   1 
ATOM   5329 H  HG1  . THR A 1 375 ? -21.494 37.433 10.928  0.00 7.33   ?  375  THR A HG1  1 
ATOM   5330 H  HG21 . THR A 1 375 ? -24.161 36.517 9.978   1.00 7.46   ?  375  THR A HG21 1 
ATOM   5331 H  HG22 . THR A 1 375 ? -23.758 36.614 11.512  1.00 7.51   ?  375  THR A HG22 1 
ATOM   5332 H  HG23 . THR A 1 375 ? -24.150 35.208 10.881  1.00 7.51   ?  375  THR A HG23 1 
ATOM   5333 N  N    . GLU A 1 376 ? -19.696 34.466 9.787   1.00 7.25   ?  376  GLU A N    1 
ATOM   5334 C  CA   . GLU A 1 376 ? -18.358 34.641 9.247   1.00 7.11   ?  376  GLU A CA   1 
ATOM   5335 C  C    . GLU A 1 376 ? -18.202 35.940 8.479   1.00 6.69   ?  376  GLU A C    1 
ATOM   5336 O  O    . GLU A 1 376 ? -17.152 36.146 7.875   1.00 7.69   ?  376  GLU A O    1 
ATOM   5337 C  CB   . GLU A 1 376 ? -17.988 33.455 8.365   1.00 7.42   ?  376  GLU A CB   1 
ATOM   5338 C  CG   . GLU A 1 376 ? -17.876 32.151 9.132   1.00 7.84   ?  376  GLU A CG   1 
ATOM   5339 C  CD   . GLU A 1 376 ? -17.482 30.928 8.317   1.00 7.78   ?  376  GLU A CD   1 
ATOM   5340 O  OE1  . GLU A 1 376 ? -17.243 31.067 7.114   1.00 7.88   ?  376  GLU A OE1  1 
ATOM   5341 O  OE2  . GLU A 1 376 ? -17.373 29.841 8.952   1.00 8.94   -1 376  GLU A OE2  1 
ATOM   5342 H  H    . GLU A 1 376 ? -20.327 34.057 9.267   1.00 7.30   ?  376  GLU A H    1 
ATOM   5343 H  HA   . GLU A 1 376 ? -17.730 34.659 10.001  1.00 7.11   ?  376  GLU A HA   1 
ATOM   5344 H  HB2  . GLU A 1 376 ? -18.668 33.358 7.667   1.00 7.46   ?  376  GLU A HB2  1 
ATOM   5345 H  HB3  . GLU A 1 376 ? -17.131 33.641 7.928   1.00 7.46   ?  376  GLU A HB3  1 
ATOM   5346 H  HG2  . GLU A 1 376 ? -17.214 32.265 9.847   1.00 7.59   ?  376  GLU A HG2  1 
ATOM   5347 H  HG3  . GLU A 1 376 ? -18.738 31.965 9.561   1.00 7.62   ?  376  GLU A HG3  1 
ATOM   5348 N  N    . GLY A 1 377 ? -19.190 36.810 8.545   1.00 6.79   ?  377  GLY A N    1 
ATOM   5349 C  CA   . GLY A 1 377 ? -19.146 38.143 7.962   1.00 7.20   ?  377  GLY A CA   1 
ATOM   5350 C  C    . GLY A 1 377 ? -20.258 38.275 6.931   1.00 7.29   ?  377  GLY A C    1 
ATOM   5351 O  O    . GLY A 1 377 ? -20.071 37.889 5.767   1.00 7.58   ?  377  GLY A O    1 
ATOM   5352 H  H    . GLY A 1 377 ? -19.956 36.563 8.976   1.00 6.83   ?  377  GLY A H    1 
ATOM   5353 H  HA2  . GLY A 1 377 ? -19.265 38.818 8.675   1.00 7.12   ?  377  GLY A HA2  1 
ATOM   5354 H  HA3  . GLY A 1 377 ? -18.269 38.289 7.528   1.00 7.11   ?  377  GLY A HA3  1 
ATOM   5355 N  N    . ALA A 1 378 ? -21.408 38.787 7.379   1.00 7.28   ?  378  ALA A N    1 
ATOM   5356 C  CA   . ALA A 1 378 ? -22.592 38.965 6.537   1.00 7.00   ?  378  ALA A CA   1 
ATOM   5357 C  C    . ALA A 1 378 ? -23.140 40.325 6.896   1.00 7.18   ?  378  ALA A C    1 
ATOM   5358 O  O    . ALA A 1 378 ? -23.842 40.460 7.902   1.00 7.18   ?  378  ALA A O    1 
ATOM   5359 C  CB   . ALA A 1 378 ? -23.577 37.894 6.818   1.00 6.91   ?  378  ALA A CB   1 
ATOM   5360 H  H    . ALA A 1 378 ? -21.462 39.034 8.257   1.00 7.21   ?  378  ALA A H    1 
ATOM   5361 H  HA   . ALA A 1 378 ? -22.335 38.946 5.586   1.00 7.07   ?  378  ALA A HA   1 
ATOM   5362 H  HB1  . ALA A 1 378 ? -24.402 38.077 6.338   1.00 6.97   ?  378  ALA A HB1  1 
ATOM   5363 H  HB2  . ALA A 1 378 ? -23.218 37.038 6.529   1.00 6.93   ?  378  ALA A HB2  1 
ATOM   5364 H  HB3  . ALA A 1 378 ? -23.759 37.861 7.773   1.00 6.95   ?  378  ALA A HB3  1 
ATOM   5365 N  N    . PRO A 1 379 ? -22.717 41.397 6.217   1.00 7.43   ?  379  PRO A N    1 
ATOM   5366 C  CA   . PRO A 1 379 ? -23.032 42.740 6.680   1.00 7.39   ?  379  PRO A CA   1 
ATOM   5367 C  C    . PRO A 1 379 ? -24.509 42.946 6.986   1.00 7.25   ?  379  PRO A C    1 
ATOM   5368 O  O    . PRO A 1 379 ? -25.382 42.723 6.146   1.00 7.68   ?  379  PRO A O    1 
ATOM   5369 C  CB   . PRO A 1 379 ? -22.557 43.606 5.515   1.00 7.87   ?  379  PRO A CB   1 
ATOM   5370 C  CG   . PRO A 1 379 ? -21.346 42.866 5.034   1.00 7.89   ?  379  PRO A CG   1 
ATOM   5371 C  CD   . PRO A 1 379 ? -21.746 41.413 5.091   1.00 7.69   ?  379  PRO A CD   1 
ATOM   5372 H  HA   . PRO A 1 379 ? -22.487 42.944 7.481   1.00 7.40   ?  379  PRO A HA   1 
ATOM   5373 H  HB2  . PRO A 1 379 ? -23.239 43.664 4.812   1.00 7.80   ?  379  PRO A HB2  1 
ATOM   5374 H  HB3  . PRO A 1 379 ? -22.323 44.510 5.815   1.00 7.77   ?  379  PRO A HB3  1 
ATOM   5375 H  HG2  . PRO A 1 379 ? -21.117 43.129 4.119   1.00 7.83   ?  379  PRO A HG2  1 
ATOM   5376 H  HG3  . PRO A 1 379 ? -20.578 43.039 5.616   1.00 7.82   ?  379  PRO A HG3  1 
ATOM   5377 H  HD2  . PRO A 1 379 ? -22.166 41.127 4.259   1.00 7.70   ?  379  PRO A HD2  1 
ATOM   5378 H  HD3  . PRO A 1 379 ? -20.979 40.842 5.277   1.00 7.68   ?  379  PRO A HD3  1 
ATOM   5379 N  N    . GLY A 1 380 ? -24.750 43.476 8.193   1.00 6.88   ?  380  GLY A N    1 
ATOM   5380 C  CA   . GLY A 1 380 ? -26.091 43.781 8.652   1.00 6.83   ?  380  GLY A CA   1 
ATOM   5381 C  C    . GLY A 1 380 ? -26.761 42.656 9.429   1.00 6.70   ?  380  GLY A C    1 
ATOM   5382 O  O    . GLY A 1 380 ? -27.784 42.923 10.064  1.00 6.89   ?  380  GLY A O    1 
ATOM   5383 H  H    . GLY A 1 380 ? -24.048 43.654 8.750   1.00 6.93   ?  380  GLY A H    1 
ATOM   5384 H  HA2  . GLY A 1 380 ? -26.048 44.583 9.229   1.00 6.82   ?  380  GLY A HA2  1 
ATOM   5385 H  HA3  . GLY A 1 380 ? -26.652 44.011 7.870   1.00 6.84   ?  380  GLY A HA3  1 
ATOM   5386 N  N    . TRP A 1 381 ? -26.202 41.428 9.338   1.00 6.50   ?  381  TRP A N    1 
ATOM   5387 C  CA   . TRP A 1 381 ? -26.815 40.250 9.935   1.00 6.02   ?  381  TRP A CA   1 
ATOM   5388 C  C    . TRP A 1 381 ? -26.206 39.831 11.275  1.00 6.36   ?  381  TRP A C    1 
ATOM   5389 O  O    . TRP A 1 381 ? -26.658 38.842 11.828  1.00 6.90   ?  381  TRP A O    1 
ATOM   5390 C  CB   . TRP A 1 381 ? -26.701 39.049 8.981   1.00 5.95   ?  381  TRP A CB   1 
ATOM   5391 C  CG   . TRP A 1 381 ? -27.589 39.110 7.781   1.00 6.38   ?  381  TRP A CG   1 
ATOM   5392 C  CD1  . TRP A 1 381 ? -27.256 39.538 6.515   1.00 6.17   ?  381  TRP A CD1  1 
ATOM   5393 C  CD2  . TRP A 1 381 ? -28.917 38.606 7.706   1.00 6.59   ?  381  TRP A CD2  1 
ATOM   5394 N  NE1  . TRP A 1 381 ? -28.310 39.334 5.695   1.00 6.42   ?  381  TRP A NE1  1 
ATOM   5395 C  CE2  . TRP A 1 381 ? -29.332 38.725 6.361   1.00 6.43   ?  381  TRP A CE2  1 
ATOM   5396 C  CE3  . TRP A 1 381 ? -29.796 38.011 8.610   1.00 6.36   ?  381  TRP A CE3  1 
ATOM   5397 C  CZ2  . TRP A 1 381 ? -30.610 38.369 5.986   1.00 6.95   ?  381  TRP A CZ2  1 
ATOM   5398 C  CZ3  . TRP A 1 381 ? -31.024 37.580 8.209   1.00 6.47   ?  381  TRP A CZ3  1 
ATOM   5399 C  CH2  . TRP A 1 381 ? -31.425 37.749 6.883   1.00 6.74   ?  381  TRP A CH2  1 
ATOM   5400 H  H    . TRP A 1 381 ? -25.411 41.327 8.893   1.00 6.41   ?  381  TRP A H    1 
ATOM   5401 H  HA   . TRP A 1 381 ? -27.770 40.439 10.069  1.00 6.10   ?  381  TRP A HA   1 
ATOM   5402 H  HB2  . TRP A 1 381 ? -25.772 38.981 8.685   1.00 6.04   ?  381  TRP A HB2  1 
ATOM   5403 H  HB3  . TRP A 1 381 ? -26.911 38.236 9.484   1.00 6.08   ?  381  TRP A HB3  1 
ATOM   5404 H  HD1  . TRP A 1 381 ? -26.436 39.931 6.260   1.00 6.19   ?  381  TRP A HD1  1 
ATOM   5405 H  HE1  . TRP A 1 381 ? -28.328 39.556 4.847   1.00 6.36   ?  381  TRP A HE1  1 
ATOM   5406 H  HE3  . TRP A 1 381 ? -29.512 37.853 9.497   1.00 6.46   ?  381  TRP A HE3  1 
ATOM   5407 H  HZ2  . TRP A 1 381 ? -30.885 38.479 5.092   1.00 6.76   ?  381  TRP A HZ2  1 
ATOM   5408 H  HZ3  . TRP A 1 381 ? -31.616 37.193 8.834   1.00 6.46   ?  381  TRP A HZ3  1 
ATOM   5409 H  HH2  . TRP A 1 381 ? -32.298 37.509 6.627   1.00 6.62   ?  381  TRP A HH2  1 
ATOM   5410 N  N    . ASP A 1 382 ? -25.127 40.481 11.693  1.00 6.46   ?  382  ASP A N    1 
ATOM   5411 C  CA   . ASP A 1 382 ? -24.281 39.939 12.743  1.00 6.41   ?  382  ASP A CA   1 
ATOM   5412 C  C    . ASP A 1 382 ? -24.267 40.909 13.902  1.00 6.44   ?  382  ASP A C    1 
ATOM   5413 O  O    . ASP A 1 382 ? -23.648 41.956 13.877  1.00 6.42   ?  382  ASP A O    1 
ATOM   5414 C  CB   . ASP A 1 382 ? -22.888 39.746 12.177  1.00 6.81   ?  382  ASP A CB   1 
ATOM   5415 C  CG   . ASP A 1 382 ? -21.903 39.082 13.116  1.00 6.56   ?  382  ASP A CG   1 
ATOM   5416 O  OD1  . ASP A 1 382 ? -21.876 39.465 14.323  1.00 7.11   ?  382  ASP A OD1  1 
ATOM   5417 O  OD2  . ASP A 1 382 ? -21.160 38.200 12.651  1.00 7.63   -1 382  ASP A OD2  1 
ATOM   5418 H  H    . ASP A 1 382 ? -24.910 41.288 11.323  1.00 6.39   ?  382  ASP A H    1 
ATOM   5419 H  HA   . ASP A 1 382 ? -24.638 39.070 13.041  1.00 6.48   ?  382  ASP A HA   1 
ATOM   5420 H  HB2  . ASP A 1 382 ? -22.952 39.198 11.368  1.00 6.66   ?  382  ASP A HB2  1 
ATOM   5421 H  HB3  . ASP A 1 382 ? -22.525 40.619 11.923  1.00 6.67   ?  382  ASP A HB3  1 
ATOM   5422 N  N    . MET A 1 383 ? -25.039 40.588 14.948  1.00 6.18   ?  383  MET A N    1 
ATOM   5423 C  CA   . MET A 1 383 ? -25.184 41.522 16.051  1.00 6.34   ?  383  MET A CA   1 
ATOM   5424 C  C    . MET A 1 383 ? -23.839 41.788 16.732  1.00 6.19   ?  383  MET A C    1 
ATOM   5425 O  O    . MET A 1 383 ? -23.539 42.917 17.162  1.00 6.70   ?  383  MET A O    1 
ATOM   5426 C  CB   . MET A 1 383 ? -26.181 41.027 17.092  1.00 6.88   ?  383  MET A CB   1 
ATOM   5427 C  CG   . MET A 1 383 ? -26.341 42.033 18.237  1.00 7.66   ?  383  MET A CG   1 
ATOM   5428 S  SD   . MET A 1 383 ? -27.408 41.470 19.571  1.00 8.78   ?  383  MET A SD   1 
ATOM   5429 C  CE   . MET A 1 383 ? -29.000 41.716 18.887  1.00 9.93   ?  383  MET A CE   1 
ATOM   5430 H  H    . MET A 1 383 ? -25.477 39.786 14.976  1.00 6.25   ?  383  MET A H    1 
ATOM   5431 H  HA   . MET A 1 383 ? -25.510 42.375 15.680  1.00 6.36   ?  383  MET A HA   1 
ATOM   5432 H  HB2  . MET A 1 383 ? -27.047 40.882 16.663  1.00 6.89   ?  383  MET A HB2  1 
ATOM   5433 H  HB3  . MET A 1 383 ? -25.872 40.171 17.451  1.00 6.88   ?  383  MET A HB3  1 
ATOM   5434 H  HG2  . MET A 1 383 ? -25.459 42.233 18.614  1.00 7.53   ?  383  MET A HG2  1 
ATOM   5435 H  HG3  . MET A 1 383 ? -26.707 42.869 17.876  1.00 7.58   ?  383  MET A HG3  1 
ATOM   5436 H  HE1  . MET A 1 383 ? -29.159 42.660 18.778  1.00 9.66   ?  383  MET A HE1  1 
ATOM   5437 H  HE2  . MET A 1 383 ? -29.048 41.280 18.029  1.00 9.60   ?  383  MET A HE2  1 
ATOM   5438 H  HE3  . MET A 1 383 ? -29.665 41.343 19.478  1.00 9.79   ?  383  MET A HE3  1 
ATOM   5439 N  N    . SER A 1 384 ? -23.019 40.751 16.862  1.00 6.62   ?  384  SER A N    1 
ATOM   5440 C  CA   . SER A 1 384 ? -21.738 40.945 17.535  1.00 7.14   ?  384  SER A CA   1 
ATOM   5441 C  C    . SER A 1 384 ? -20.888 42.003 16.832  1.00 6.87   ?  384  SER A C    1 
ATOM   5442 O  O    . SER A 1 384 ? -20.218 42.833 17.422  1.00 7.42   ?  384  SER A O    1 
ATOM   5443 C  CB   . SER A 1 384 ? -20.983 39.623 17.754  1.00 7.43   ?  384  SER A CB   1 
ATOM   5444 O  OG   . SER A 1 384 ? -20.368 39.085 16.579  1.00 7.92   ?  384  SER A OG   1 
ATOM   5445 H  H    . SER A 1 384 ? -23.246 39.924 16.544  1.00 6.60   ?  384  SER A H    1 
ATOM   5446 H  HA   . SER A 1 384 ? -21.948 41.306 18.438  1.00 6.98   ?  384  SER A HA   1 
ATOM   5447 H  HB2  . SER A 1 384 ? -20.293 39.766 18.434  1.00 7.47   ?  384  SER A HB2  1 
ATOM   5448 H  HB3  . SER A 1 384 ? -21.615 38.958 18.111  1.00 7.42   ?  384  SER A HB3  1 
ATOM   5449 H  HG   . SER A 1 384 ? -19.585 39.394 16.522  0.00 7.99   ?  384  SER A HG   1 
ATOM   5450 N  N    . ASP A 1 385 ? -20.983 41.987 15.494  1.00 6.61   ?  385  ASP A N    1 
ATOM   5451 C  CA   . ASP A 1 385 ? -20.313 42.990 14.664  1.00 6.82   ?  385  ASP A CA   1 
ATOM   5452 C  C    . ASP A 1 385 ? -20.979 44.345 14.880  1.00 6.72   ?  385  ASP A C    1 
ATOM   5453 O  O    . ASP A 1 385 ? -20.316 45.358 15.107  1.00 6.71   ?  385  ASP A O    1 
ATOM   5454 C  CB   . ASP A 1 385 ? -20.377 42.568 13.192  1.00 7.11   ?  385  ASP A CB   1 
ATOM   5455 C  CG   . ASP A 1 385 ? -19.743 43.549 12.226  1.00 7.05   ?  385  ASP A CG   1 
ATOM   5456 O  OD1  . ASP A 1 385 ? -18.788 44.188 12.577  1.00 7.48   ?  385  ASP A OD1  1 
ATOM   5457 O  OD2  . ASP A 1 385 ? -20.282 43.650 11.071  1.00 7.95   -1 385  ASP A OD2  1 
ATOM   5458 H  H    . ASP A 1 385 ? -21.469 41.331 15.084  1.00 6.69   ?  385  ASP A H    1 
ATOM   5459 H  HA   . ASP A 1 385 ? -19.368 43.047 14.939  1.00 6.81   ?  385  ASP A HA   1 
ATOM   5460 H  HB2  . ASP A 1 385 ? -19.926 41.705 13.090  1.00 7.04   ?  385  ASP A HB2  1 
ATOM   5461 H  HB3  . ASP A 1 385 ? -21.314 42.453 12.935  1.00 7.00   ?  385  ASP A HB3  1 
ATOM   5462 N  N    . LEU A 1 386 ? -22.306 44.392 14.736  1.00 6.38   ?  386  LEU A N    1 
ATOM   5463 C  CA   . LEU A 1 386 ? -22.993 45.666 14.765  1.00 6.40   ?  386  LEU A CA   1 
ATOM   5464 C  C    . LEU A 1 386 ? -22.865 46.366 16.115  1.00 6.18   ?  386  LEU A C    1 
ATOM   5465 O  O    . LEU A 1 386 ? -22.829 47.589 16.190  1.00 6.97   ?  386  LEU A O    1 
ATOM   5466 C  CB   . LEU A 1 386 ? -24.453 45.460 14.434  1.00 6.52   ?  386  LEU A CB   1 
ATOM   5467 C  CG   . LEU A 1 386 ? -24.787 44.848 13.083  1.00 7.27   ?  386  LEU A CG   1 
ATOM   5468 C  CD1  . LEU A 1 386 ? -26.278 44.852 12.863  1.00 7.96   ?  386  LEU A CD1  1 
ATOM   5469 C  CD2  . LEU A 1 386 ? -24.079 45.618 11.987  1.00 8.34   ?  386  LEU A CD2  1 
ATOM   5470 H  H    . LEU A 1 386 ? -22.787 43.623 14.623  1.00 6.42   ?  386  LEU A H    1 
ATOM   5471 H  HA   . LEU A 1 386 ? -22.586 46.246 14.081  1.00 6.42   ?  386  LEU A HA   1 
ATOM   5472 H  HB2  . LEU A 1 386 ? -24.842 44.891 15.128  1.00 6.58   ?  386  LEU A HB2  1 
ATOM   5473 H  HB3  . LEU A 1 386 ? -24.899 46.329 14.490  1.00 6.62   ?  386  LEU A HB3  1 
ATOM   5474 H  HG   . LEU A 1 386 ? -24.469 43.914 13.069  1.00 7.34   ?  386  LEU A HG   1 
ATOM   5475 H  HD11 . LEU A 1 386 ? -26.498 44.272 12.113  1.00 7.75   ?  386  LEU A HD11 1 
ATOM   5476 H  HD12 . LEU A 1 386 ? -26.575 45.758 12.670  1.00 7.82   ?  386  LEU A HD12 1 
ATOM   5477 H  HD13 . LEU A 1 386 ? -26.726 44.529 13.664  1.00 7.74   ?  386  LEU A HD13 1 
ATOM   5478 H  HD21 . LEU A 1 386 ? -23.130 45.404 11.998  1.00 8.07   ?  386  LEU A HD21 1 
ATOM   5479 H  HD22 . LEU A 1 386 ? -24.199 46.574 12.131  1.00 8.05   ?  386  LEU A HD22 1 
ATOM   5480 H  HD23 . LEU A 1 386 ? -24.455 45.372 11.123  1.00 8.05   ?  386  LEU A HD23 1 
ATOM   5481 N  N    . LEU A 1 387 ? -22.807 45.605 17.204  1.00 6.46   ?  387  LEU A N    1 
ATOM   5482 C  CA   . LEU A 1 387 ? -22.617 46.200 18.514  1.00 6.81   ?  387  LEU A CA   1 
ATOM   5483 C  C    . LEU A 1 387 ? -21.253 46.878 18.591  1.00 6.95   ?  387  LEU A C    1 
ATOM   5484 O  O    . LEU A 1 387 ? -21.156 48.032 18.993  1.00 7.82   ?  387  LEU A O    1 
ATOM   5485 C  CB   . LEU A 1 387 ? -22.693 45.141 19.618  1.00 7.00   ?  387  LEU A CB   1 
ATOM   5486 C  CG   . LEU A 1 387 ? -24.098 44.683 19.989  1.00 7.44   ?  387  LEU A CG   1 
ATOM   5487 C  CD1  . LEU A 1 387 ? -24.034 43.387 20.772  1.00 7.64   ?  387  LEU A CD1  1 
ATOM   5488 C  CD2  . LEU A 1 387 ? -24.800 45.769 20.773  1.00 8.05   ?  387  LEU A CD2  1 
ATOM   5489 H  H    . LEU A 1 387 ? -22.894 44.698 17.134  1.00 6.44   ?  387  LEU A H    1 
ATOM   5490 H  HA   . LEU A 1 387 ? -23.317 46.878 18.655  1.00 6.76   ?  387  LEU A HA   1 
ATOM   5491 H  HB2  . LEU A 1 387 ? -22.177 44.361 19.331  1.00 7.03   ?  387  LEU A HB2  1 
ATOM   5492 H  HB3  . LEU A 1 387 ? -22.263 45.499 20.420  1.00 7.02   ?  387  LEU A HB3  1 
ATOM   5493 H  HG   . LEU A 1 387 ? -24.605 44.521 19.155  1.00 7.45   ?  387  LEU A HG   1 
ATOM   5494 H  HD11 . LEU A 1 387 ? -24.930 43.021 20.866  1.00 7.61   ?  387  LEU A HD11 1 
ATOM   5495 H  HD12 . LEU A 1 387 ? -23.660 43.559 21.653  1.00 7.58   ?  387  LEU A HD12 1 
ATOM   5496 H  HD13 . LEU A 1 387 ? -23.471 42.749 20.300  1.00 7.59   ?  387  LEU A HD13 1 
ATOM   5497 H  HD21 . LEU A 1 387 ? -24.869 46.572 20.229  1.00 7.85   ?  387  LEU A HD21 1 
ATOM   5498 H  HD22 . LEU A 1 387 ? -24.293 45.966 21.579  1.00 7.92   ?  387  LEU A HD22 1 
ATOM   5499 H  HD23 . LEU A 1 387 ? -25.692 45.467 21.017  1.00 7.87   ?  387  LEU A HD23 1 
ATOM   5500 N  N    . GLU A 1 388 ? -20.191 46.177 18.170  1.00 7.65   ?  388  GLU A N    1 
ATOM   5501 C  CA   . GLU A 1 388 ? -18.854 46.741 18.249  1.00 7.75   ?  388  GLU A CA   1 
ATOM   5502 C  C    . GLU A 1 388 ? -18.728 47.970 17.371  1.00 8.04   ?  388  GLU A C    1 
ATOM   5503 O  O    . GLU A 1 388 ? -17.976 48.884 17.678  1.00 8.62   ?  388  GLU A O    1 
ATOM   5504 C  CB   . GLU A 1 388 ? -17.832 45.646 17.945  1.00 7.89   ?  388  GLU A CB   1 
ATOM   5505 C  CG   . GLU A 1 388 ? -16.386 46.042 18.104  1.00 8.28   ?  388  GLU A CG   1 
ATOM   5506 C  CD   . GLU A 1 388 ? -15.797 46.861 16.982  1.00 8.82   ?  388  GLU A CD   1 
ATOM   5507 O  OE1  . GLU A 1 388 ? -16.153 46.651 15.793  1.00 8.42   ?  388  GLU A OE1  1 
ATOM   5508 O  OE2  . GLU A 1 388 ? -14.916 47.718 17.312  1.00 8.59   -1 388  GLU A OE2  1 
ATOM   5509 H  H    . GLU A 1 388 ? -20.302 45.335 17.832  1.00 7.41   ?  388  GLU A H    1 
ATOM   5510 H  HA   . GLU A 1 388 ? -18.713 47.028 19.181  1.00 7.61   ?  388  GLU A HA   1 
ATOM   5511 H  HB2  . GLU A 1 388 ? -18.013 44.887 18.538  1.00 7.89   ?  388  GLU A HB2  1 
ATOM   5512 H  HB3  . GLU A 1 388 ? -17.975 45.342 17.025  1.00 7.91   ?  388  GLU A HB3  1 
ATOM   5513 H  HG2  . GLU A 1 388 ? -16.292 46.553 18.936  1.00 8.19   ?  388  GLU A HG2  1 
ATOM   5514 H  HG3  . GLU A 1 388 ? -15.849 45.227 18.201  1.00 8.24   ?  388  GLU A HG3  1 
ATOM   5515 N  N    . ALA A 1 389 ? -19.444 47.972 16.229  1.00 7.49   ?  389  ALA A N    1 
ATOM   5516 C  CA   . ALA A 1 389 ? -19.408 49.063 15.274  1.00 7.72   ?  389  ALA A CA   1 
ATOM   5517 C  C    . ALA A 1 389 ? -20.261 50.256 15.711  1.00 8.33   ?  389  ALA A C    1 
ATOM   5518 O  O    . ALA A 1 389 ? -20.271 51.276 15.029  1.00 9.91   ?  389  ALA A O    1 
ATOM   5519 C  CB   . ALA A 1 389 ? -19.886 48.570 13.915  1.00 8.61   ?  389  ALA A CB   1 
ATOM   5520 H  H    . ALA A 1 389 ? -19.971 47.250 16.039  1.00 7.63   ?  389  ALA A H    1 
ATOM   5521 H  HA   . ALA A 1 389 ? -18.475 49.367 15.185  1.00 7.93   ?  389  ALA A HA   1 
ATOM   5522 H  HB1  . ALA A 1 389 ? -19.843 49.297 13.271  1.00 8.44   ?  389  ALA A HB1  1 
ATOM   5523 H  HB2  . ALA A 1 389 ? -19.317 47.841 13.615  1.00 8.40   ?  389  ALA A HB2  1 
ATOM   5524 H  HB3  . ALA A 1 389 ? -20.803 48.256 13.986  1.00 8.40   ?  389  ALA A HB3  1 
ATOM   5525 N  N    . GLY A 1 390 ? -21.026 50.140 16.790  1.00 8.21   ?  390  GLY A N    1 
ATOM   5526 C  CA   . GLY A 1 390 ? -21.859 51.240 17.222  1.00 9.01   ?  390  GLY A CA   1 
ATOM   5527 C  C    . GLY A 1 390 ? -23.141 51.366 16.417  1.00 8.74   ?  390  GLY A C    1 
ATOM   5528 O  O    . GLY A 1 390 ? -23.821 52.385 16.496  1.00 10.92  ?  390  GLY A O    1 
ATOM   5529 H  H    . GLY A 1 390 ? -21.041 49.360 17.264  1.00 8.35   ?  390  GLY A H    1 
ATOM   5530 H  HA2  . GLY A 1 390 ? -22.087 51.111 18.175  1.00 8.86   ?  390  GLY A HA2  1 
ATOM   5531 H  HA3  . GLY A 1 390 ? -21.344 52.083 17.148  1.00 8.84   ?  390  GLY A HA3  1 
ATOM   5532 N  N    . VAL A 1 391 ? -23.500 50.315 15.668  1.00 8.36   ?  391  VAL A N    1 
ATOM   5533 C  CA   . VAL A 1 391 ? -24.683 50.319 14.837  1.00 7.98   ?  391  VAL A CA   1 
ATOM   5534 C  C    . VAL A 1 391 ? -25.909 49.786 15.579  1.00 8.11   ?  391  VAL A C    1 
ATOM   5535 O  O    . VAL A 1 391 ? -27.041 50.238 15.321  1.00 10.51  ?  391  VAL A O    1 
ATOM   5536 C  CB   . VAL A 1 391 ? -24.429 49.507 13.552  1.00 8.45   ?  391  VAL A CB   1 
ATOM   5537 C  CG1  . VAL A 1 391 ? -25.655 49.244 12.706  1.00 9.68   ?  391  VAL A CG1  1 
ATOM   5538 C  CG2  . VAL A 1 391 ? -23.392 50.209 12.721  1.00 9.27   ?  391  VAL A CG2  1 
ATOM   5539 H  H    . VAL A 1 391 ? -22.985 49.560 15.686  1.00 8.36   ?  391  VAL A H    1 
ATOM   5540 H  HA   . VAL A 1 391 ? -24.867 51.240 14.578  1.00 8.13   ?  391  VAL A HA   1 
ATOM   5541 H  HB   . VAL A 1 391 ? -24.056 48.632 13.823  1.00 8.69   ?  391  VAL A HB   1 
ATOM   5542 H  HG11 . VAL A 1 391 ? -26.126 50.081 12.547  1.00 9.38   ?  391  VAL A HG11 1 
ATOM   5543 H  HG12 . VAL A 1 391 ? -26.245 48.624 13.169  1.00 9.40   ?  391  VAL A HG12 1 
ATOM   5544 H  HG13 . VAL A 1 391 ? -25.386 48.858 11.854  1.00 9.42   ?  391  VAL A HG13 1 
ATOM   5545 H  HG21 . VAL A 1 391 ? -23.232 49.704 11.905  1.00 9.12   ?  391  VAL A HG21 1 
ATOM   5546 H  HG22 . VAL A 1 391 ? -22.563 50.279 13.224  1.00 9.12   ?  391  VAL A HG22 1 
ATOM   5547 H  HG23 . VAL A 1 391 ? -23.708 51.101 12.492  1.00 9.08   ?  391  VAL A HG23 1 
ATOM   5548 N  N    . PHE A 1 392 ? -25.693 48.847 16.501  1.00 8.36   ?  392  PHE A N    1 
ATOM   5549 C  CA   . PHE A 1 392 ? -26.786 48.235 17.228  1.00 8.01   ?  392  PHE A CA   1 
ATOM   5550 C  C    . PHE A 1 392 ? -26.970 48.946 18.554  1.00 8.10   ?  392  PHE A C    1 
ATOM   5551 O  O    . PHE A 1 392 ? -26.067 48.930 19.390  1.00 9.35   ?  392  PHE A O    1 
ATOM   5552 C  CB   . PHE A 1 392 ? -26.604 46.731 17.425  1.00 7.54   ?  392  PHE A CB   1 
ATOM   5553 C  CG   . PHE A 1 392 ? -27.911 46.026 17.698  1.00 7.29   ?  392  PHE A CG   1 
ATOM   5554 C  CD1  . PHE A 1 392 ? -28.478 46.059 18.935  1.00 8.40   ?  392  PHE A CD1  1 
ATOM   5555 C  CD2  . PHE A 1 392 ? -28.622 45.441 16.651  1.00 7.91   ?  392  PHE A CD2  1 
ATOM   5556 C  CE1  . PHE A 1 392 ? -29.723 45.505 19.164  1.00 9.02   ?  392  PHE A CE1  1 
ATOM   5557 C  CE2  . PHE A 1 392 ? -29.884 44.904 16.894  1.00 7.83   ?  392  PHE A CE2  1 
ATOM   5558 C  CZ   . PHE A 1 392 ? -30.416 44.933 18.150  1.00 8.43   ?  392  PHE A CZ   1 
ATOM   5559 H  H    . PHE A 1 392 ? -24.839 48.574 16.679  1.00 8.21   ?  392  PHE A H    1 
ATOM   5560 H  HA   . PHE A 1 392 ? -27.610 48.364 16.698  1.00 8.02   ?  392  PHE A HA   1 
ATOM   5561 H  HB2  . PHE A 1 392 ? -26.196 46.354 16.617  1.00 7.39   ?  392  PHE A HB2  1 
ATOM   5562 H  HB3  . PHE A 1 392 ? -25.991 46.581 18.174  1.00 7.57   ?  392  PHE A HB3  1 
ATOM   5563 H  HD1  . PHE A 1 392 ? -28.016 46.473 19.643  1.00 8.31   ?  392  PHE A HD1  1 
ATOM   5564 H  HD2  . PHE A 1 392 ? -28.268 45.449 15.776  1.00 7.73   ?  392  PHE A HD2  1 
ATOM   5565 H  HE1  . PHE A 1 392 ? -30.086 45.515 20.035  1.00 8.74   ?  392  PHE A HE1  1 
ATOM   5566 H  HE2  . PHE A 1 392 ? -30.358 44.485 16.194  1.00 7.75   ?  392  PHE A HE2  1 
ATOM   5567 H  HZ   . PHE A 1 392 ? -31.251 44.525 18.319  1.00 8.30   ?  392  PHE A HZ   1 
ATOM   5568 N  N    . PRO A 1 393 ? -28.158 49.514 18.860  1.00 8.32   ?  393  PRO A N    1 
ATOM   5569 C  CA   . PRO A 1 393 ? -28.382 50.162 20.146  1.00 8.74   ?  393  PRO A CA   1 
ATOM   5570 C  C    . PRO A 1 393 ? -28.300 49.208 21.339  1.00 9.27   ?  393  PRO A C    1 
ATOM   5571 O  O    . PRO A 1 393 ? -28.636 48.018 21.237  1.00 10.02  ?  393  PRO A O    1 
ATOM   5572 C  CB   . PRO A 1 393 ? -29.799 50.722 20.058  1.00 9.64   ?  393  PRO A CB   1 
ATOM   5573 C  CG   . PRO A 1 393 ? -30.014 50.867 18.594  1.00 9.13   ?  393  PRO A CG   1 
ATOM   5574 C  CD   . PRO A 1 393 ? -29.313 49.673 17.983  1.00 8.55   ?  393  PRO A CD   1 
ATOM   5575 H  HA   . PRO A 1 393 ? -27.738 50.905 20.256  1.00 8.89   ?  393  PRO A HA   1 
ATOM   5576 H  HB2  . PRO A 1 393 ? -30.452 50.104 20.450  1.00 9.35   ?  393  PRO A HB2  1 
ATOM   5577 H  HB3  . PRO A 1 393 ? -29.865 51.587 20.511  1.00 9.36   ?  393  PRO A HB3  1 
ATOM   5578 H  HG2  . PRO A 1 393 ? -30.969 50.856 18.380  1.00 9.06   ?  393  PRO A HG2  1 
ATOM   5579 H  HG3  . PRO A 1 393 ? -29.626 51.703 18.266  1.00 9.08   ?  393  PRO A HG3  1 
ATOM   5580 H  HD2  . PRO A 1 393 ? -29.880 48.880 17.998  1.00 8.61   ?  393  PRO A HD2  1 
ATOM   5581 H  HD3  . PRO A 1 393 ? -29.041 49.857 17.065  1.00 8.50   ?  393  PRO A HD3  1 
ATOM   5582 N  N    . THR A 1 394 ? -27.944 49.754 22.513  1.00 10.64  ?  394  THR A N    1 
ATOM   5583 C  CA   . THR A 1 394 ? -27.733 48.931 23.714  1.00 11.67  ?  394  THR A CA   1 
ATOM   5584 C  C    . THR A 1 394 ? -28.771 49.164 24.813  1.00 11.89  ?  394  THR A C    1 
ATOM   5585 O  O    . THR A 1 394 ? -28.662 48.579 25.878  1.00 12.36  ?  394  THR A O    1 
ATOM   5586 C  CB   . THR A 1 394 ? -26.303 49.057 24.245  1.00 12.27  ?  394  THR A CB   1 
ATOM   5587 O  OG1  . THR A 1 394 ? -26.155 50.424 24.633  1.00 14.05  ?  394  THR A OG1  1 
ATOM   5588 C  CG2  . THR A 1 394 ? -25.245 48.640 23.249  1.00 14.23  ?  394  THR A CG2  1 
ATOM   5589 H  H    . THR A 1 394 ? -27.825 50.659 22.572  1.00 10.47  ?  394  THR A H    1 
ATOM   5590 H  HA   . THR A 1 394 ? -27.839 47.996 23.428  1.00 11.54  ?  394  THR A HA   1 
ATOM   5591 H  HB   . THR A 1 394 ? -26.221 48.489 25.048  1.00 12.67  ?  394  THR A HB   1 
ATOM   5592 H  HG1  . THR A 1 394 ? -26.287 50.925 23.962  0.00 14.28  ?  394  THR A HG1  1 
ATOM   5593 H  HG21 . THR A 1 394 ? -24.363 48.728 23.655  1.00 13.73  ?  394  THR A HG21 1 
ATOM   5594 H  HG22 . THR A 1 394 ? -25.296 49.210 22.461  1.00 13.63  ?  394  THR A HG22 1 
ATOM   5595 H  HG23 . THR A 1 394 ? -25.390 47.713 22.989  1.00 13.73  ?  394  THR A HG23 1 
ATOM   5596 N  N    . SER A 1 395 ? -29.819 49.932 24.499  1.00 11.13  ?  395  SER A N    1 
ATOM   5597 C  CA   . SER A 1 395 ? -30.911 50.167 25.413  1.00 12.05  ?  395  SER A CA   1 
ATOM   5598 C  C    . SER A 1 395 ? -32.036 50.862 24.667  1.00 11.04  ?  395  SER A C    1 
ATOM   5599 O  O    . SER A 1 395 ? -31.819 51.347 23.547  1.00 12.00  ?  395  SER A O    1 
ATOM   5600 C  CB   . SER A 1 395 ? -30.493 51.014 26.563  1.00 13.63  ?  395  SER A CB   1 
ATOM   5601 O  OG   . SER A 1 395 ? -30.335 52.359 26.159  1.00 18.04  ?  395  SER A OG   1 
ATOM   5602 H  H    . SER A 1 395 ? -29.850 50.325 23.675  1.00 11.41  ?  395  SER A H    1 
ATOM   5603 H  HA   . SER A 1 395 ? -31.239 49.291 25.752  1.00 11.86  ?  395  SER A HA   1 
ATOM   5604 H  HB2  . SER A 1 395 ? -31.170 50.963 27.272  1.00 13.82  ?  395  SER A HB2  1 
ATOM   5605 H  HB3  . SER A 1 395 ? -29.643 50.680 26.927  1.00 13.76  ?  395  SER A HB3  1 
ATOM   5606 H  HG   . SER A 1 395 ? -31.084 52.767 26.262  0.00 19.22  ?  395  SER A HG   1 
ATOM   5607 N  N    . PRO A 1 396 ? -33.264 50.899 25.218  1.00 12.99  ?  396  PRO A N    1 
ATOM   5608 C  CA   . PRO A 1 396 ? -34.336 51.652 24.577  1.00 13.49  ?  396  PRO A CA   1 
ATOM   5609 C  C    . PRO A 1 396 ? -34.054 53.144 24.480  1.00 14.35  ?  396  PRO A C    1 
ATOM   5610 O  O    . PRO A 1 396 ? -34.617 53.801 23.608  1.00 17.90  ?  396  PRO A O    1 
ATOM   5611 C  CB   . PRO A 1 396 ? -35.580 51.330 25.416  1.00 16.21  ?  396  PRO A CB   1 
ATOM   5612 C  CG   . PRO A 1 396 ? -35.067 50.735 26.675  1.00 19.01  ?  396  PRO A CG   1 
ATOM   5613 C  CD   . PRO A 1 396 ? -33.746 50.086 26.338  1.00 14.24  ?  396  PRO A CD   1 
ATOM   5614 H  HA   . PRO A 1 396 ? -34.470 51.291 23.665  1.00 13.76  ?  396  PRO A HA   1 
ATOM   5615 H  HB2  . PRO A 1 396 ? -36.094 52.144 25.604  1.00 15.91  ?  396  PRO A HB2  1 
ATOM   5616 H  HB3  . PRO A 1 396 ? -36.160 50.694 24.946  1.00 15.84  ?  396  PRO A HB3  1 
ATOM   5617 H  HG2  . PRO A 1 396 ? -34.942 51.429 27.355  1.00 17.50  ?  396  PRO A HG2  1 
ATOM   5618 H  HG3  . PRO A 1 396 ? -35.696 50.070 27.021  1.00 17.38  ?  396  PRO A HG3  1 
ATOM   5619 H  HD2  . PRO A 1 396 ? -33.133 50.123 27.094  1.00 14.32  ?  396  PRO A HD2  1 
ATOM   5620 H  HD3  . PRO A 1 396 ? -33.867 49.156 26.070  1.00 14.43  ?  396  PRO A HD3  1 
ATOM   5621 N  N    . ASP A 1 397 ? -33.185 53.660 25.364  1.00 14.81  ?  397  ASP A N    1 
ATOM   5622 C  CA   . ASP A 1 397 ? -32.877 55.070 25.342  1.00 16.30  ?  397  ASP A CA   1 
ATOM   5623 C  C    . ASP A 1 397 ? -31.711 55.428 24.415  1.00 15.36  ?  397  ASP A C    1 
ATOM   5624 O  O    . ASP A 1 397 ? -31.401 56.606 24.250  1.00 17.48  ?  397  ASP A O    1 
ATOM   5625 C  CB   . ASP A 1 397 ? -32.577 55.549 26.747  1.00 19.76  ?  397  ASP A CB   1 
ATOM   5626 C  CG   . ASP A 1 397 ? -33.750 55.246 27.657  1.00 26.57  ?  397  ASP A CG   1 
ATOM   5627 O  OD1  . ASP A 1 397 ? -34.875 55.679 27.321  1.00 31.77  ?  397  ASP A OD1  1 
ATOM   5628 O  OD2  . ASP A 1 397 ? -33.545 54.528 28.655  1.00 36.80  -1 397  ASP A OD2  1 
ATOM   5629 H  H    . ASP A 1 397 ? -32.791 53.127 25.993  1.00 14.95  ?  397  ASP A H    1 
ATOM   5630 H  HA   . ASP A 1 397 ? -33.676 55.553 25.026  1.00 16.32  ?  397  ASP A HA   1 
ATOM   5631 H  HB2  . ASP A 1 397 ? -31.779 55.097 27.089  1.00 19.73  ?  397  ASP A HB2  1 
ATOM   5632 H  HB3  . ASP A 1 397 ? -32.413 56.514 26.743  1.00 19.63  ?  397  ASP A HB3  1 
ATOM   5633 N  N    . ASP A 1 398 ? -31.025 54.418 23.887  1.00 13.26  ?  398  ASP A N    1 
ATOM   5634 C  CA   . ASP A 1 398 ? -29.892 54.616 23.015  1.00 12.56  ?  398  ASP A CA   1 
ATOM   5635 C  C    . ASP A 1 398 ? -30.391 54.817 21.593  1.00 10.97  ?  398  ASP A C    1 
ATOM   5636 O  O    . ASP A 1 398 ? -30.551 53.873 20.837  1.00 11.32  ?  398  ASP A O    1 
ATOM   5637 C  CB   . ASP A 1 398 ? -28.967 53.426 23.140  1.00 12.86  ?  398  ASP A CB   1 
ATOM   5638 C  CG   . ASP A 1 398 ? -27.709 53.511 22.305  1.00 12.33  ?  398  ASP A CG   1 
ATOM   5639 O  OD1  . ASP A 1 398 ? -27.440 54.587 21.735  1.00 14.10  ?  398  ASP A OD1  1 
ATOM   5640 O  OD2  . ASP A 1 398 ? -27.029 52.480 22.223  1.00 13.66  -1 398  ASP A OD2  1 
ATOM   5641 H  H    . ASP A 1 398 ? -31.274 53.561 24.084  1.00 13.44  ?  398  ASP A H    1 
ATOM   5642 H  HA   . ASP A 1 398 ? -29.406 55.424 23.304  1.00 12.44  ?  398  ASP A HA   1 
ATOM   5643 H  HB2  . ASP A 1 398 ? -28.703 53.331 24.078  1.00 12.76  ?  398  ASP A HB2  1 
ATOM   5644 H  HB3  . ASP A 1 398 ? -29.453 52.617 22.879  1.00 12.75  ?  398  ASP A HB3  1 
ATOM   5645 N  N    . ARG A 1 399 ? -30.685 56.061 21.243  1.00 11.39  ?  399  ARG A N    1 
ATOM   5646 C  CA   . ARG A 1 399 ? -31.266 56.401 19.962  1.00 11.70  ?  399  ARG A CA   1 
ATOM   5647 C  C    . ARG A 1 399 ? -30.527 57.593 19.380  1.00 12.58  ?  399  ARG A C    1 
ATOM   5648 O  O    . ARG A 1 399 ? -30.420 58.655 19.994  1.00 14.68  ?  399  ARG A O    1 
ATOM   5649 C  CB   . ARG A 1 399 ? -32.773 56.701 20.054  1.00 12.12  ?  399  ARG A CB   1 
ATOM   5650 C  CG   . ARG A 1 399 ? -33.589 55.498 20.464  1.00 11.93  ?  399  ARG A CG   1 
ATOM   5651 C  CD   . ARG A 1 399 ? -33.649 54.414 19.422  1.00 11.28  ?  399  ARG A CD   1 
ATOM   5652 N  NE   . ARG A 1 399 ? -34.510 53.288 19.773  1.00 10.72  ?  399  ARG A NE   1 
ATOM   5653 C  CZ   . ARG A 1 399 ? -34.167 52.277 20.545  1.00 10.45  ?  399  ARG A CZ   1 
ATOM   5654 N  NH1  . ARG A 1 399 ? -32.932 52.161 20.983  1.00 11.00  1  399  ARG A NH1  1 
ATOM   5655 N  NH2  . ARG A 1 399 ? -35.079 51.381 20.892  1.00 10.60  ?  399  ARG A NH2  1 
ATOM   5656 H  H    . ARG A 1 399 ? -30.516 56.737 21.836  1.00 11.39  ?  399  ARG A H    1 
ATOM   5657 H  HA   . ARG A 1 399 ? -31.140 55.636 19.360  1.00 11.79  ?  399  ARG A HA   1 
ATOM   5658 H  HB2  . ARG A 1 399 ? -32.913 57.419 20.706  1.00 11.93  ?  399  ARG A HB2  1 
ATOM   5659 H  HB3  . ARG A 1 399 ? -33.086 57.017 19.181  1.00 12.06  ?  399  ARG A HB3  1 
ATOM   5660 H  HG2  . ARG A 1 399 ? -33.212 55.121 21.287  1.00 11.81  ?  399  ARG A HG2  1 
ATOM   5661 H  HG3  . ARG A 1 399 ? -34.504 55.789 20.664  1.00 11.80  ?  399  ARG A HG3  1 
ATOM   5662 H  HD2  . ARG A 1 399 ? -33.972 54.805 18.582  1.00 11.23  ?  399  ARG A HD2  1 
ATOM   5663 H  HD3  . ARG A 1 399 ? -32.742 54.080 19.259  1.00 11.29  ?  399  ARG A HD3  1 
ATOM   5664 H  HE   . ARG A 1 399 ? -35.314 53.282 19.442  1.00 10.74  ?  399  ARG A HE   1 
ATOM   5665 H  HH11 . ARG A 1 399 ? -32.477 52.884 21.224  1.00 10.83  ?  399  ARG A HH11 1 
ATOM   5666 H  HH12 . ARG A 1 399 ? -32.563 51.355 21.040  1.00 10.81  ?  399  ARG A HH12 1 
ATOM   5667 H  HH21 . ARG A 1 399 ? -34.831 50.642 21.298  1.00 10.56  ?  399  ARG A HH21 1 
ATOM   5668 H  HH22 . ARG A 1 399 ? -35.928 51.528 20.718  1.00 10.51  ?  399  ARG A HH22 1 
ATOM   5669 N  N    . GLU A 1 400 ? -30.038 57.377 18.169  1.00 12.33  ?  400  GLU A N    1 
ATOM   5670 C  CA   . GLU A 1 400 ? -29.389 58.430 17.402  1.00 13.46  ?  400  GLU A CA   1 
ATOM   5671 C  C    . GLU A 1 400 ? -30.360 59.178 16.490  1.00 12.66  ?  400  GLU A C    1 
ATOM   5672 O  O    . GLU A 1 400 ? -30.041 60.285 16.075  1.00 16.48  ?  400  GLU A O    1 
ATOM   5673 C  CB   . GLU A 1 400 ? -28.216 57.866 16.604  1.00 14.76  ?  400  GLU A CB   1 
ATOM   5674 C  CG   . GLU A 1 400 ? -27.092 57.402 17.519  1.00 18.88  ?  400  GLU A CG   1 
ATOM   5675 C  CD   . GLU A 1 400 ? -25.879 56.817 16.805  1.00 23.94  ?  400  GLU A CD   1 
ATOM   5676 O  OE1  . GLU A 1 400 ? -25.905 56.773 15.542  1.00 28.63  ?  400  GLU A OE1  1 
ATOM   5677 O  OE2  . GLU A 1 400 ? -24.903 56.437 17.522  1.00 29.02  -1 400  GLU A OE2  1 
ATOM   5678 H  H    . GLU A 1 400 ? -30.093 56.542 17.804  1.00 12.60  ?  400  GLU A H    1 
ATOM   5679 H  HA   . GLU A 1 400 ? -29.025 59.082 18.044  1.00 13.40  ?  400  GLU A HA   1 
ATOM   5680 H  HB2  . GLU A 1 400 ? -28.530 57.111 16.064  1.00 15.00  ?  400  GLU A HB2  1 
ATOM   5681 H  HB3  . GLU A 1 400 ? -27.878 58.559 15.998  1.00 15.04  ?  400  GLU A HB3  1 
ATOM   5682 H  HG2  . GLU A 1 400 ? -26.793 58.162 18.062  1.00 18.35  ?  400  GLU A HG2  1 
ATOM   5683 H  HG3  . GLU A 1 400 ? -27.444 56.724 18.133  1.00 18.42  ?  400  GLU A HG3  1 
ATOM   5684 N  N    . PHE A 1 401 ? -31.536 58.614 16.230  1.00 12.95  ?  401  PHE A N    1 
ATOM   5685 C  CA   . PHE A 1 401 ? -32.503 59.190 15.333  1.00 13.99  ?  401  PHE A CA   1 
ATOM   5686 C  C    . PHE A 1 401 ? -33.820 59.317 16.080  1.00 14.55  ?  401  PHE A C    1 
ATOM   5687 O  O    . PHE A 1 401 ? -34.082 58.620 17.046  1.00 13.94  ?  401  PHE A O    1 
ATOM   5688 C  CB   . PHE A 1 401 ? -32.612 58.303 14.091  1.00 13.22  ?  401  PHE A CB   1 
ATOM   5689 C  CG   . PHE A 1 401 ? -31.286 58.058 13.412  1.00 13.37  ?  401  PHE A CG   1 
ATOM   5690 C  CD1  . PHE A 1 401 ? -30.705 59.017 12.595  1.00 15.17  ?  401  PHE A CD1  1 
ATOM   5691 C  CD2  . PHE A 1 401 ? -30.547 56.919 13.694  1.00 14.33  ?  401  PHE A CD2  1 
ATOM   5692 C  CE1  . PHE A 1 401 ? -29.474 58.779 12.004  1.00 15.09  ?  401  PHE A CE1  1 
ATOM   5693 C  CE2  . PHE A 1 401 ? -29.305 56.708 13.116  1.00 14.91  ?  401  PHE A CE2  1 
ATOM   5694 C  CZ   . PHE A 1 401 ? -28.766 57.646 12.285  1.00 15.12  ?  401  PHE A CZ   1 
ATOM   5695 H  H    . PHE A 1 401 ? -31.743 57.822 16.636  1.00 13.03  ?  401  PHE A H    1 
ATOM   5696 H  HA   . PHE A 1 401 ? -32.197 60.091 15.061  1.00 13.83  ?  401  PHE A HA   1 
ATOM   5697 H  HB2  . PHE A 1 401 ? -32.999 57.442 14.354  1.00 13.44  ?  401  PHE A HB2  1 
ATOM   5698 H  HB3  . PHE A 1 401 ? -33.224 58.728 13.454  1.00 13.24  ?  401  PHE A HB3  1 
ATOM   5699 H  HD1  . PHE A 1 401 ? -31.179 59.807 12.392  1.00 14.69  ?  401  PHE A HD1  1 
ATOM   5700 H  HD2  . PHE A 1 401 ? -30.907 56.266 14.272  1.00 14.13  ?  401  PHE A HD2  1 
ATOM   5701 H  HE1  . PHE A 1 401 ? -29.100 59.431 11.432  1.00 15.00  ?  401  PHE A HE1  1 
ATOM   5702 H  HE2  . PHE A 1 401 ? -28.829 55.914 13.301  1.00 14.70  ?  401  PHE A HE2  1 
ATOM   5703 H  HZ   . PHE A 1 401 ? -27.927 57.496 11.882  1.00 15.01  ?  401  PHE A HZ   1 
ATOM   5704 N  N    . PRO A 1 402 ? -34.715 60.217 15.651  1.00 16.06  ?  402  PRO A N    1 
ATOM   5705 C  CA   . PRO A 1 402 ? -36.035 60.305 16.266  1.00 17.10  ?  402  PRO A CA   1 
ATOM   5706 C  C    . PRO A 1 402 ? -36.750 58.966 16.237  1.00 15.55  ?  402  PRO A C    1 
ATOM   5707 O  O    . PRO A 1 402 ? -36.552 58.173 15.323  1.00 13.78  ?  402  PRO A O    1 
ATOM   5708 C  CB   . PRO A 1 402 ? -36.755 61.350 15.399  1.00 19.36  ?  402  PRO A CB   1 
ATOM   5709 C  CG   . PRO A 1 402 ? -35.640 62.181 14.819  1.00 19.15  ?  402  PRO A CG   1 
ATOM   5710 C  CD   . PRO A 1 402 ? -34.499 61.228 14.606  1.00 18.42  ?  402  PRO A CD   1 
ATOM   5711 H  HA   . PRO A 1 402 ? -35.950 60.637 17.194  1.00 16.96  ?  402  PRO A HA   1 
ATOM   5712 H  HB2  . PRO A 1 402 ? -37.275 60.919 14.687  1.00 18.92  ?  402  PRO A HB2  1 
ATOM   5713 H  HB3  . PRO A 1 402 ? -37.356 61.902 15.942  1.00 18.86  ?  402  PRO A HB3  1 
ATOM   5714 H  HG2  . PRO A 1 402 ? -35.915 62.585 13.971  1.00 19.03  ?  402  PRO A HG2  1 
ATOM   5715 H  HG3  . PRO A 1 402 ? -35.383 62.895 15.438  1.00 18.97  ?  402  PRO A HG3  1 
ATOM   5716 H  HD2  . PRO A 1 402 ? -34.533 60.828 13.718  1.00 18.06  ?  402  PRO A HD2  1 
ATOM   5717 H  HD3  . PRO A 1 402 ? -33.642 61.678 14.721  1.00 18.02  ?  402  PRO A HD3  1 
ATOM   5718 N  N    . LYS A 1 403 ? -37.609 58.767 17.230  1.00 17.09  ?  403  LYS A N    1 
ATOM   5719 C  CA   . LYS A 1 403 ? -38.402 57.566 17.339  1.00 18.31  ?  403  LYS A CA   1 
ATOM   5720 C  C    . LYS A 1 403 ? -39.368 57.473 16.161  1.00 18.44  ?  403  LYS A C    1 
ATOM   5721 O  O    . LYS A 1 403 ? -40.093 58.413 15.834  1.00 22.22  ?  403  LYS A O    1 
ATOM   5722 C  CB   . LYS A 1 403 ? -39.205 57.588 18.638  1.00 21.38  ?  403  LYS A CB   1 
ATOM   5723 C  CG   . LYS A 1 403 ? -39.788 56.251 19.070  1.00 25.48  ?  403  LYS A CG   1 
ATOM   5724 C  CD   . LYS A 1 403 ? -40.289 56.325 20.502  1.00 29.61  ?  403  LYS A CD   1 
ATOM   5725 C  CE   . LYS A 1 403 ? -40.657 55.000 21.129  1.00 34.55  ?  403  LYS A CE   1 
ATOM   5726 N  NZ   . LYS A 1 403 ? -41.047 55.187 22.550  1.00 37.97  1  403  LYS A NZ   1 
ATOM   5727 H  H    . LYS A 1 403 ? -37.706 59.415 17.868  1.00 16.95  ?  403  LYS A H    1 
ATOM   5728 H  HA   . LYS A 1 403 ? -37.802 56.785 17.337  1.00 18.53  ?  403  LYS A HA   1 
ATOM   5729 H  HB2  . LYS A 1 403 ? -38.623 57.917 19.354  1.00 21.20  ?  403  LYS A HB2  1 
ATOM   5730 H  HB3  . LYS A 1 403 ? -39.941 58.228 18.536  1.00 21.21  ?  403  LYS A HB3  1 
ATOM   5731 H  HG2  . LYS A 1 403 ? -40.530 56.012 18.474  1.00 24.99  ?  403  LYS A HG2  1 
ATOM   5732 H  HG3  . LYS A 1 403 ? -39.098 55.557 18.998  1.00 25.00  ?  403  LYS A HG3  1 
ATOM   5733 H  HD2  . LYS A 1 403 ? -39.595 56.745 21.055  1.00 29.18  ?  403  LYS A HD2  1 
ATOM   5734 H  HD3  . LYS A 1 403 ? -41.077 56.909 20.527  1.00 29.41  ?  403  LYS A HD3  1 
ATOM   5735 H  HE2  . LYS A 1 403 ? -41.402 54.600 20.642  1.00 33.99  ?  403  LYS A HE2  1 
ATOM   5736 H  HE3  . LYS A 1 403 ? -39.897 54.389 21.082  1.00 33.84  ?  403  LYS A HE3  1 
ATOM   5737 H  HZ1  . LYS A 1 403 ? -41.759 55.746 22.603  1.00 37.04  ?  403  LYS A HZ1  1 
ATOM   5738 H  HZ2  . LYS A 1 403 ? -40.354 55.543 23.015  1.00 37.11  ?  403  LYS A HZ2  1 
ATOM   5739 H  HZ3  . LYS A 1 403 ? -41.269 54.387 22.916  1.00 37.36  ?  403  LYS A HZ3  1 
ATOM   5740 N  N    . GLN A 1 404 ? -39.389 56.304 15.552  1.00 16.13  ?  404  GLN A N    1 
ATOM   5741 C  CA   . GLN A 1 404 ? -40.238 56.054 14.409  1.00 18.44  ?  404  GLN A CA   1 
ATOM   5742 C  C    . GLN A 1 404 ? -41.493 55.333 14.897  1.00 19.44  ?  404  GLN A C    1 
ATOM   5743 O  O    . GLN A 1 404 ? -41.532 54.820 16.019  1.00 22.61  ?  404  GLN A O    1 
ATOM   5744 C  CB   . GLN A 1 404 ? -39.448 55.216 13.403  1.00 19.39  ?  404  GLN A CB   1 
ATOM   5745 C  CG   . GLN A 1 404 ? -38.155 55.884 12.935  1.00 18.31  ?  404  GLN A CG   1 
ATOM   5746 C  CD   . GLN A 1 404 ? -38.460 57.207 12.277  1.00 20.47  ?  404  GLN A CD   1 
ATOM   5747 O  OE1  . GLN A 1 404 ? -39.296 57.287 11.380  1.00 22.69  ?  404  GLN A OE1  1 
ATOM   5748 N  NE2  . GLN A 1 404 ? -37.795 58.264 12.712  1.00 22.63  ?  404  GLN A NE2  1 
ATOM   5749 H  H    . GLN A 1 404 ? -38.855 55.628 15.857  1.00 17.07  ?  404  GLN A H    1 
ATOM   5750 H  HA   . GLN A 1 404 ? -40.493 56.911 13.997  1.00 18.19  ?  404  GLN A HA   1 
ATOM   5751 H  HB2  . GLN A 1 404 ? -39.232 54.355 13.818  1.00 19.01  ?  404  GLN A HB2  1 
ATOM   5752 H  HB3  . GLN A 1 404 ? -40.019 55.041 12.626  1.00 19.15  ?  404  GLN A HB3  1 
ATOM   5753 H  HG2  . GLN A 1 404 ? -37.560 56.025 13.702  1.00 18.70  ?  404  GLN A HG2  1 
ATOM   5754 H  HG3  . GLN A 1 404 ? -37.696 55.298 12.295  1.00 18.78  ?  404  GLN A HG3  1 
ATOM   5755 H  HE21 . GLN A 1 404 ? -37.165 58.172 13.325  1.00 22.06  ?  404  GLN A HE21 1 
ATOM   5756 H  HE22 . GLN A 1 404 ? -37.980 59.066 12.388  1.00 21.96  ?  404  GLN A HE22 1 
ATOM   5757 N  N    . CYS A 1 405 ? -42.503 55.304 14.040  1.00 21.46  ?  405  CYS A N    1 
ATOM   5758 C  CA   . CYS A 1 405 ? -43.751 54.563 14.276  1.00 24.07  ?  405  CYS A CA   1 
ATOM   5759 C  C    . CYS A 1 405 ? -44.553 55.152 15.445  1.00 28.96  ?  405  CYS A C    1 
ATOM   5760 O  O    . CYS A 1 405 ? -45.592 54.502 15.707  1.00 36.14  ?  405  CYS A O    1 
ATOM   5761 C  CB   . CYS A 1 405 ? -43.556 53.053 14.485  1.00 23.71  ?  405  CYS A CB   1 
ATOM   5762 S  SG   . CYS A 1 405 ? -42.327 52.359 13.351  1.00 22.87  ?  405  CYS A SG   1 
ATOM   5763 H  H    . CYS A 1 405 ? -42.421 55.770 13.258  1.00 21.43  ?  405  CYS A H    1 
ATOM   5764 H  HA   . CYS A 1 405 ? -44.297 54.673 13.466  1.00 24.13  ?  405  CYS A HA   1 
ATOM   5765 H  HB2  . CYS A 1 405 ? -43.267 52.886 15.406  1.00 22.89  ?  405  CYS A HB2  1 
ATOM   5766 H  HB3  . CYS A 1 405 ? -44.408 52.593 14.345  1.00 23.96  ?  405  CYS A HB3  1 
HETATM 5767 C  C1   . EDO B 2 .   ? -41.531 31.294 1.949   1.00 35.65  ?  501  EDO A C1   1 
HETATM 5768 O  O1   . EDO B 2 .   ? -40.881 30.235 1.268   1.00 37.70  ?  501  EDO A O1   1 
HETATM 5769 C  C2   . EDO B 2 .   ? -42.882 30.983 2.456   1.00 31.28  ?  501  EDO A C2   1 
HETATM 5770 O  O2   . EDO B 2 .   ? -43.564 29.979 1.735   1.00 24.34  ?  501  EDO A O2   1 
HETATM 5771 H  H11  . EDO B 2 .   ? -41.593 32.061 1.343   1.00 34.96  ?  501  EDO A H11  1 
HETATM 5772 H  H12  . EDO B 2 .   ? -40.981 31.552 2.711   1.00 34.91  ?  501  EDO A H12  1 
HETATM 5773 H  HO1  . EDO B 2 .   ? -40.139 30.498 1.037   0.00 38.95  ?  501  EDO A HO1  1 
HETATM 5774 H  H21  . EDO B 2 .   ? -43.417 31.798 2.434   1.00 30.12  ?  501  EDO A H21  1 
HETATM 5775 H  H22  . EDO B 2 .   ? -42.806 30.701 3.391   1.00 29.58  ?  501  EDO A H22  1 
HETATM 5776 H  HO2  . EDO B 2 .   ? -43.036 29.619 1.180   1.00 25.79  ?  501  EDO A HO2  1 
HETATM 5777 C  C1   . GOL C 3 .   ? -41.761 10.423 4.807   1.00 34.26  ?  502  GOL A C1   1 
HETATM 5778 O  O1   . GOL C 3 .   ? -42.046 9.282  5.605   1.00 35.24  ?  502  GOL A O1   1 
HETATM 5779 C  C2   . GOL C 3 .   ? -40.275 10.648 4.690   1.00 35.98  ?  502  GOL A C2   1 
HETATM 5780 O  O2   . GOL C 3 .   ? -39.571 9.450  5.020   1.00 37.95  ?  502  GOL A O2   1 
HETATM 5781 C  C3   . GOL C 3 .   ? -39.819 11.792 5.565   1.00 33.62  ?  502  GOL A C3   1 
HETATM 5782 O  O3   . GOL C 3 .   ? -38.415 12.008 5.553   1.00 26.96  ?  502  GOL A O3   1 
HETATM 5783 H  H11  . GOL C 3 .   ? -42.178 11.217 5.217   1.00 32.67  ?  502  GOL A H11  1 
HETATM 5784 H  H12  . GOL C 3 .   ? -42.145 10.298 3.906   1.00 34.69  ?  502  GOL A H12  1 
HETATM 5785 H  HO1  . GOL C 3 .   ? -42.881 9.142  5.631   0.00 36.39  ?  502  GOL A HO1  1 
HETATM 5786 H  H2   . GOL C 3 .   ? -40.073 10.879 3.753   1.00 35.74  ?  502  GOL A H2   1 
HETATM 5787 H  HO2  . GOL C 3 .   ? -39.031 9.655  5.666   0.00 39.37  ?  502  GOL A HO2  1 
HETATM 5788 H  H31  . GOL C 3 .   ? -40.102 11.610 6.493   1.00 31.09  ?  502  GOL A H31  1 
HETATM 5789 H  H32  . GOL C 3 .   ? -40.270 12.617 5.268   1.00 31.20  ?  502  GOL A H32  1 
HETATM 5790 H  HO3  . GOL C 3 .   ? -38.058 11.471 5.005   1.00 27.91  ?  502  GOL A HO3  1 
HETATM 5791 C  C2   . BGC D 4 .   ? -37.869 32.513 2.240   1.00 21.55  ?  503  BGC A C2   1 
HETATM 5792 C  C3   . BGC D 4 .   ? -36.662 32.005 3.019   1.00 21.05  ?  503  BGC A C3   1 
HETATM 5793 C  C4   . BGC D 4 .   ? -36.323 32.975 4.114   1.00 19.39  ?  503  BGC A C4   1 
HETATM 5794 C  C5   . BGC D 4 .   ? -37.542 33.153 4.979   1.00 19.01  ?  503  BGC A C5   1 
HETATM 5795 C  C6   . BGC D 4 .   ? -37.267 34.113 6.102   1.00 18.95  ?  503  BGC A C6   1 
HETATM 5796 C  C1   . BGC D 4 .   ? -39.040 32.811 3.150   0.50 18.60  ?  503  BGC A C1   1 
HETATM 5797 O  O1   . BGC D 4 .   ? -40.107 33.423 2.462   0.50 17.01  ?  503  BGC A O1   1 
HETATM 5798 O  O2   . BGC D 4 .   ? -38.272 31.566 1.256   1.00 25.40  ?  503  BGC A O2   1 
HETATM 5799 O  O3   . BGC D 4 .   ? -35.579 31.900 2.092   1.00 24.17  ?  503  BGC A O3   1 
HETATM 5800 O  O4   . BGC D 4 .   ? -35.324 32.488 5.012   1.00 23.54  ?  503  BGC A O4   1 
HETATM 5801 O  O5   . BGC D 4 .   ? -38.624 33.684 4.168   1.00 19.43  ?  503  BGC A O5   1 
HETATM 5802 O  O6   . BGC D 4 .   ? -38.263 34.025 7.091   1.00 16.88  ?  503  BGC A O6   1 
HETATM 5803 H  H2   . BGC D 4 .   ? -37.620 33.354 1.787   1.00 21.29  ?  503  BGC A H2   1 
HETATM 5804 H  H3   . BGC D 4 .   ? -36.862 31.115 3.408   1.00 21.27  ?  503  BGC A H3   1 
HETATM 5805 H  H4   . BGC D 4 .   ? -36.047 33.840 3.730   1.00 20.24  ?  503  BGC A H4   1 
HETATM 5806 H  H5   . BGC D 4 .   ? -37.809 32.278 5.351   1.00 19.06  ?  503  BGC A H5   1 
HETATM 5807 H  H61  . BGC D 4 .   ? -37.238 35.026 5.749   1.00 18.22  ?  503  BGC A H61  1 
HETATM 5808 H  H62  . BGC D 4 .   ? -36.396 33.911 6.502   1.00 18.45  ?  503  BGC A H62  1 
HETATM 5809 H  H1   . BGC D 4 .   ? -39.353 31.971 3.566   0.50 18.95  ?  503  BGC A H1   1 
HETATM 5810 H  HO1  . BGC D 4 .   ? -39.829 34.142 2.111   0.50 17.42  ?  503  BGC A HO1  1 
HETATM 5811 H  HO2  . BGC D 4 .   ? -39.082 31.364 1.370   0.00 28.03  ?  503  BGC A HO2  1 
HETATM 5812 H  HO3  . BGC D 4 .   ? -34.969 32.444 2.345   0.00 25.60  ?  503  BGC A HO3  1 
HETATM 5813 H  HO4  . BGC D 4 .   ? -35.644 32.421 5.800   0.00 24.90  ?  503  BGC A HO4  1 
HETATM 5814 H  HO6  . BGC D 4 .   ? -38.840 33.475 6.837   0.00 16.89  ?  503  BGC A HO6  1 
HETATM 5815 C  C1   . GOL E 3 .   ? -32.979 30.209 2.253   1.00 24.16  ?  504  GOL A C1   1 
HETATM 5816 O  O1   . GOL E 3 .   ? -33.699 30.709 3.377   1.00 22.90  ?  504  GOL A O1   1 
HETATM 5817 C  C2   . GOL E 3 .   ? -33.073 28.715 2.346   1.00 23.70  ?  504  GOL A C2   1 
HETATM 5818 O  O2   . GOL E 3 .   ? -34.441 28.332 2.210   1.00 30.10  ?  504  GOL A O2   1 
HETATM 5819 C  C3   . GOL E 3 .   ? -32.244 27.962 1.341   1.00 15.90  ?  504  GOL A C3   1 
HETATM 5820 O  O3   . GOL E 3 .   ? -32.491 26.589 1.562   1.00 14.38  ?  504  GOL A O3   1 
HETATM 5821 H  H11  . GOL E 3 .   ? -32.037 30.495 2.293   1.00 23.17  ?  504  GOL A H11  1 
HETATM 5822 H  H12  . GOL E 3 .   ? -33.387 30.528 1.412   1.00 23.72  ?  504  GOL A H12  1 
HETATM 5823 H  HO1  . GOL E 3 .   ? -33.663 31.573 3.341   0.00 23.28  ?  504  GOL A HO1  1 
HETATM 5824 H  H2   . GOL E 3 .   ? -32.769 28.449 3.247   1.00 22.07  ?  504  GOL A H2   1 
HETATM 5825 H  HO2  . GOL E 3 .   ? -34.490 27.762 1.562   0.00 33.61  ?  504  GOL A HO2  1 
HETATM 5826 H  H31  . GOL E 3 .   ? -31.286 28.163 1.471   1.00 16.02  ?  504  GOL A H31  1 
HETATM 5827 H  H32  . GOL E 3 .   ? -32.510 28.214 0.423   1.00 16.13  ?  504  GOL A H32  1 
HETATM 5828 H  HO3  . GOL E 3 .   ? -33.218 26.387 1.164   1.00 14.53  ?  504  GOL A HO3  1 
HETATM 5829 C  C2   . BGC F 4 .   ? -34.502 30.969 9.497   0.50 12.35  ?  505  BGC A C2   1 
HETATM 5830 C  C3   . BGC F 4 .   ? -33.058 31.011 9.723   0.50 12.68  ?  505  BGC A C3   1 
HETATM 5831 C  C4   . BGC F 4 .   ? -32.469 31.751 8.418   1.00 12.51  ?  505  BGC A C4   1 
HETATM 5832 C  C5   . BGC F 4 .   ? -33.064 33.175 8.361   1.00 13.41  ?  505  BGC A C5   1 
HETATM 5833 C  C6   . BGC F 4 .   ? -32.726 34.033 7.142   1.00 14.52  ?  505  BGC A C6   1 
HETATM 5834 C  C1   . BGC F 4 .   ? -34.768 32.349 9.484   0.50 13.06  ?  505  BGC A C1   1 
HETATM 5835 O  O1   . BGC F 4 .   ? -35.979 32.189 9.566   0.50 9.29   ?  505  BGC A O1   1 
HETATM 5836 O  O2   . BGC F 4 .   ? -35.391 30.543 10.494  1.00 14.97  ?  505  BGC A O2   1 
HETATM 5837 O  O3   . BGC F 4 .   ? -32.773 29.645 10.162  1.00 10.87  ?  505  BGC A O3   1 
HETATM 5838 O  O4   . BGC F 4 .   ? -31.069 32.003 8.421   1.00 10.39  ?  505  BGC A O4   1 
HETATM 5839 O  O5   . BGC F 4 .   ? -34.427 33.017 8.372   0.50 11.18  ?  505  BGC A O5   1 
HETATM 5840 O  O6   . BGC F 4 .   ? -33.155 33.536 5.879   1.00 13.80  ?  505  BGC A O6   1 
HETATM 5841 H  H2   . BGC F 4 .   ? -34.714 30.554 8.630   0.50 12.52  ?  505  BGC A H2   1 
HETATM 5842 H  H3   . BGC F 4 .   ? -32.895 31.609 10.495  0.50 12.18  ?  505  BGC A H3   1 
HETATM 5843 H  H4   . BGC F 4 .   ? -32.719 31.250 7.606   1.00 12.23  ?  505  BGC A H4   1 
HETATM 5844 H  H5   . BGC F 4 .   ? -32.790 33.663 9.176   1.00 13.16  ?  505  BGC A H5   1 
HETATM 5845 H  H61  . BGC F 4 .   ? -31.754 34.154 7.110   1.00 14.23  ?  505  BGC A H61  1 
HETATM 5846 H  H62  . BGC F 4 .   ? -33.124 34.920 7.272   1.00 14.20  ?  505  BGC A H62  1 
HETATM 5847 H  H1   . BGC F 4 .   ? -34.399 32.787 10.282  0.50 11.88  ?  505  BGC A H1   1 
HETATM 5848 H  HO1  . BGC F 4 .   ? -36.357 32.940 9.463   0.50 9.83   ?  505  BGC A HO1  1 
HETATM 5849 H  HO2  . BGC F 4 .   ? -35.706 31.282 10.805  0.00 15.43  ?  505  BGC A HO2  1 
HETATM 5850 H  HO3  . BGC F 4 .   ? -32.255 29.269 9.622   0.00 10.93  ?  505  BGC A HO3  1 
HETATM 5851 H  HO4  . BGC F 4 .   ? -30.936 32.836 8.402   0.00 10.66  ?  505  BGC A HO4  1 
HETATM 5852 H  HO6  . BGC F 4 .   ? -33.552 32.803 6.000   0.00 14.09  ?  505  BGC A HO6  1 
HETATM 5853 CL CL   . CL  G 5 .   ? -46.393 36.250 8.720   1.00 36.19  ?  506  CL  A CL   1 
HETATM 5854 NA NA   . NA  H 6 .   ? -23.589 37.311 -2.926  1.00 31.42  ?  507  NA  A NA   1 
HETATM 5855 O  O    . HOH I 7 .   ? -48.581 24.188 28.316  1.00 21.26  ?  601  HOH A O    1 
HETATM 5856 O  O    . HOH I 7 .   ? -42.164 32.718 33.735  1.00 91.97  ?  602  HOH A O    1 
HETATM 5857 O  O    . HOH I 7 .   ? -14.214 24.359 19.322  1.00 47.67  ?  603  HOH A O    1 
HETATM 5858 O  O    . HOH I 7 .   ? -35.966 31.057 -1.742  1.00 30.29  ?  604  HOH A O    1 
HETATM 5859 O  O    . HOH I 7 .   ? -43.049 40.117 25.737  1.00 45.30  ?  605  HOH A O    1 
HETATM 5860 O  O    . HOH I 7 .   ? -19.230 42.319 27.340  1.00 48.01  ?  606  HOH A O    1 
HETATM 5861 O  O    . HOH I 7 .   ? -42.081 19.419 -0.621  1.00 27.34  ?  607  HOH A O    1 
HETATM 5862 O  O    . HOH I 7 .   ? -20.931 47.703 -3.685  1.00 41.96  ?  608  HOH A O    1 
HETATM 5863 O  O    . HOH I 7 .   ? -50.768 13.367 7.976   1.00 43.49  ?  609  HOH A O    1 
HETATM 5864 O  O    . HOH I 7 .   ? -24.162 53.262 -0.450  1.00 47.71  ?  610  HOH A O    1 
HETATM 5865 O  O    . HOH I 7 .   ? -50.302 15.078 5.488   1.00 40.59  ?  611  HOH A O    1 
HETATM 5866 O  O    . HOH I 7 .   ? -40.843 35.378 3.806   1.00 35.03  ?  612  HOH A O    1 
HETATM 5867 O  O    . HOH I 7 .   ? -44.218 7.841  19.666  1.00 42.43  ?  613  HOH A O    1 
HETATM 5868 O  O    . HOH I 7 .   ? -57.901 30.484 24.739  1.00 11.06  ?  614  HOH A O    1 
HETATM 5869 O  O    . HOH I 7 .   ? -14.714 52.082 8.491   1.00 24.50  ?  615  HOH A O    1 
HETATM 5870 O  O    . HOH I 7 .   ? -24.400 48.941 -8.326  1.00 27.35  ?  616  HOH A O    1 
HETATM 5871 O  O    . HOH I 7 .   ? -44.473 10.295 1.499   1.00 47.73  ?  617  HOH A O    1 
HETATM 5872 O  O    . HOH I 7 .   ? -22.913 54.913 17.049  1.00 36.90  ?  618  HOH A O    1 
HETATM 5873 O  O    . HOH I 7 .   ? -29.023 57.764 2.948   1.00 43.68  ?  619  HOH A O    1 
HETATM 5874 O  O    . HOH I 7 .   ? -31.720 46.810 -13.360 1.00 38.13  ?  620  HOH A O    1 
HETATM 5875 O  O    . HOH I 7 .   ? -48.919 49.212 20.871  1.00 29.11  ?  621  HOH A O    1 
HETATM 5876 O  O    . HOH I 7 .   ? -24.269 18.224 29.961  1.00 16.86  ?  622  HOH A O    1 
HETATM 5877 O  O    . HOH I 7 .   ? -56.196 19.083 8.012   1.00 25.86  ?  623  HOH A O    1 
HETATM 5878 O  O    . HOH I 7 .   ? -37.924 37.560 -6.095  1.00 40.35  ?  624  HOH A O    1 
HETATM 5879 O  O    . HOH I 7 .   ? -24.998 52.733 20.647  1.00 18.88  ?  625  HOH A O    1 
HETATM 5880 O  O    . HOH I 7 .   ? -39.148 26.275 32.030  1.00 23.04  ?  626  HOH A O    1 
HETATM 5881 O  O    . HOH I 7 .   ? -44.164 29.355 -0.703  1.00 33.56  ?  627  HOH A O    1 
HETATM 5882 O  O    . HOH I 7 .   ? -55.729 30.073 7.636   1.00 28.05  ?  628  HOH A O    1 
HETATM 5883 O  O    . HOH I 7 .   ? -19.546 27.226 -3.320  1.00 45.46  ?  629  HOH A O    1 
HETATM 5884 O  O    . HOH I 7 .   ? -21.624 35.827 32.615  1.00 31.65  ?  630  HOH A O    1 
HETATM 5885 O  O    . HOH I 7 .   ? -47.103 8.256  13.021  1.00 24.97  ?  631  HOH A O    1 
HETATM 5886 O  O    . HOH I 7 .   ? -35.708 30.711 6.878   1.00 15.79  ?  632  HOH A O    1 
HETATM 5887 O  O    . HOH I 7 .   ? -43.213 55.616 9.226   1.00 37.94  ?  633  HOH A O    1 
HETATM 5888 O  O    . HOH I 7 .   ? -31.099 49.759 -2.958  1.00 27.17  ?  634  HOH A O    1 
HETATM 5889 O  O    . HOH I 7 .   ? -33.947 16.540 8.037   1.00 10.58  ?  635  HOH A O    1 
HETATM 5890 O  O    . HOH I 7 .   ? -29.564 28.067 -8.437  1.00 23.46  ?  636  HOH A O    1 
HETATM 5891 O  O    . HOH I 7 .   ? -16.344 32.743 5.309   1.00 14.22  ?  637  HOH A O    1 
HETATM 5892 O  O    . HOH I 7 .   ? -18.717 52.301 13.182  1.00 23.01  ?  638  HOH A O    1 
HETATM 5893 O  O    . HOH I 7 .   ? -25.951 14.318 23.433  1.00 14.15  ?  639  HOH A O    1 
HETATM 5894 O  O    . HOH I 7 .   ? -29.158 12.188 20.738  1.00 17.10  ?  640  HOH A O    1 
HETATM 5895 O  O    . HOH I 7 .   ? -40.084 56.789 6.860   1.00 35.00  ?  641  HOH A O    1 
HETATM 5896 O  O    . HOH I 7 .   ? -49.710 52.078 18.275  1.00 31.46  ?  642  HOH A O    1 
HETATM 5897 O  O    . HOH I 7 .   ? -53.412 20.977 2.983   1.00 30.12  ?  643  HOH A O    1 
HETATM 5898 O  O    . HOH I 7 .   ? -31.908 39.248 -13.913 1.00 33.31  ?  644  HOH A O    1 
HETATM 5899 O  O    . HOH I 7 .   ? -44.865 42.348 26.100  1.00 22.26  ?  645  HOH A O    1 
HETATM 5900 O  O    . HOH I 7 .   ? -53.107 14.397 11.938  1.00 29.20  ?  646  HOH A O    1 
HETATM 5901 O  O    . HOH I 7 .   ? -42.657 58.382 15.244  1.00 38.16  ?  647  HOH A O    1 
HETATM 5902 O  O    . HOH I 7 .   ? -42.699 33.884 2.429   1.00 54.63  ?  648  HOH A O    1 
HETATM 5903 O  O    . HOH I 7 .   ? -51.307 15.698 17.469  1.00 32.14  ?  649  HOH A O    1 
HETATM 5904 O  O    . HOH I 7 .   ? -17.412 27.734 13.496  1.00 12.45  ?  650  HOH A O    1 
HETATM 5905 O  O    . HOH I 7 .   ? -47.431 41.735 24.741  1.00 27.38  ?  651  HOH A O    1 
HETATM 5906 O  O    . HOH I 7 .   ? -38.122 39.956 -13.288 1.00 22.04  ?  652  HOH A O    1 
HETATM 5907 O  O    . HOH I 7 .   ? -22.137 55.790 1.192   1.00 35.55  ?  653  HOH A O    1 
HETATM 5908 O  O    . HOH I 7 .   ? -23.713 50.049 19.793  1.00 22.58  ?  654  HOH A O    1 
HETATM 5909 O  O    . HOH I 7 .   ? -35.217 11.182 8.407   1.00 28.62  ?  655  HOH A O    1 
HETATM 5910 O  O    . HOH I 7 .   ? -54.124 42.937 9.319   1.00 34.75  ?  656  HOH A O    1 
HETATM 5911 O  O    . HOH I 7 .   ? -17.082 45.996 11.686  1.00 8.18   ?  657  HOH A O    1 
HETATM 5912 O  O    . HOH I 7 .   ? -14.461 48.653 19.740  1.00 16.46  ?  658  HOH A O    1 
HETATM 5913 O  O    . HOH I 7 .   ? -19.230 39.523 11.425  1.00 15.86  ?  659  HOH A O    1 
HETATM 5914 O  O    . HOH I 7 .   ? -28.376 58.133 7.528   1.00 25.21  ?  660  HOH A O    1 
HETATM 5915 O  O    . HOH I 7 .   ? -25.755 41.889 3.667   1.00 7.86   ?  661  HOH A O    1 
HETATM 5916 O  O    . HOH I 7 .   ? -52.757 32.341 30.787  1.00 29.56  ?  662  HOH A O    1 
HETATM 5917 O  O    . HOH I 7 .   ? -31.591 31.816 4.612   1.00 10.88  ?  663  HOH A O    1 
HETATM 5918 O  O    . HOH I 7 .   ? -44.140 26.849 15.641  1.00 7.44   ?  664  HOH A O    1 
HETATM 5919 O  O    . HOH I 7 .   ? -25.248 33.260 15.104  1.00 6.54   ?  665  HOH A O    1 
HETATM 5920 O  O    . HOH I 7 .   ? -17.779 17.728 21.971  1.00 24.46  ?  666  HOH A O    1 
HETATM 5921 O  O    . HOH I 7 .   ? -23.434 41.759 -7.498  1.00 19.03  ?  667  HOH A O    1 
HETATM 5922 O  O    . HOH I 7 .   ? -26.896 8.839  18.575  1.00 36.70  ?  668  HOH A O    1 
HETATM 5923 O  O    . HOH I 7 .   ? -18.921 41.749 -0.171  1.00 24.32  ?  669  HOH A O    1 
HETATM 5924 O  O    . HOH I 7 .   ? -29.423 28.710 34.101  1.00 12.99  ?  670  HOH A O    1 
HETATM 5925 O  O    . HOH I 7 .   ? -48.932 9.645  8.139   1.00 38.38  ?  671  HOH A O    1 
HETATM 5926 O  O    . HOH I 7 .   ? -50.372 18.076 29.739  1.00 28.66  ?  672  HOH A O    1 
HETATM 5927 O  O    . HOH I 7 .   ? -30.058 53.506 2.471   1.00 22.33  ?  673  HOH A O    1 
HETATM 5928 O  O    . HOH I 7 .   ? -27.047 48.050 27.935  1.00 30.86  ?  674  HOH A O    1 
HETATM 5929 O  O    . HOH I 7 .   ? -38.929 9.909  29.753  1.00 11.70  ?  675  HOH A O    1 
HETATM 5930 O  O    . HOH I 7 .   ? -22.168 9.039  4.751   1.00 17.42  ?  676  HOH A O    1 
HETATM 5931 O  O    . HOH I 7 .   ? -43.172 34.353 10.245  1.00 11.43  ?  677  HOH A O    1 
HETATM 5932 O  O    . HOH I 7 .   ? -40.582 49.708 25.049  1.00 28.47  ?  678  HOH A O    1 
HETATM 5933 O  O    . HOH I 7 .   ? -51.553 33.701 24.629  1.00 8.18   ?  679  HOH A O    1 
HETATM 5934 O  O    . HOH I 7 .   ? -36.907 54.082 22.253  1.00 27.31  ?  680  HOH A O    1 
HETATM 5935 O  O    . HOH I 7 .   ? -11.194 17.071 11.449  1.00 40.60  ?  681  HOH A O    1 
HETATM 5936 O  O    . HOH I 7 .   ? -25.306 20.478 14.646  1.00 7.57   ?  682  HOH A O    1 
HETATM 5937 O  O    . HOH I 7 .   ? -24.166 35.208 37.670  1.00 40.71  ?  683  HOH A O    1 
HETATM 5938 O  O    . HOH I 7 .   ? -30.818 29.596 5.910   1.00 8.27   ?  684  HOH A O    1 
HETATM 5939 O  O    . HOH I 7 .   ? -41.470 48.782 -3.380  1.00 26.60  ?  685  HOH A O    1 
HETATM 5940 O  O    . HOH I 7 .   ? -43.613 42.360 18.857  1.00 12.24  ?  686  HOH A O    1 
HETATM 5941 O  O    . HOH I 7 .   ? -47.355 16.637 35.021  1.00 23.14  ?  687  HOH A O    1 
HETATM 5942 O  O    . HOH I 7 .   ? -41.348 27.848 0.126   1.00 21.26  ?  688  HOH A O    1 
HETATM 5943 O  O    . HOH I 7 .   ? -41.905 51.356 21.152  1.00 19.18  ?  689  HOH A O    1 
HETATM 5944 O  O    . HOH I 7 .   ? -28.119 25.845 1.012   1.00 8.88   ?  690  HOH A O    1 
HETATM 5945 O  O    . HOH I 7 .   ? -36.141 25.833 9.877   1.00 6.69   ?  691  HOH A O    1 
HETATM 5946 O  O    . HOH I 7 .   ? -31.940 33.232 33.653  1.00 27.52  ?  692  HOH A O    1 
HETATM 5947 O  O    . HOH I 7 .   ? -22.740 11.094 8.691   1.00 11.03  ?  693  HOH A O    1 
HETATM 5948 O  O    . HOH I 7 .   ? -25.741 8.715  14.506  1.00 43.95  ?  694  HOH A O    1 
HETATM 5949 O  O    . HOH I 7 .   ? -35.929 18.657 2.533   1.00 12.16  ?  695  HOH A O    1 
HETATM 5950 O  O    . HOH I 7 .   ? -44.684 38.186 9.259   1.00 23.60  ?  696  HOH A O    1 
HETATM 5951 O  O    . HOH I 7 .   ? -35.101 59.094 19.495  1.00 36.79  ?  697  HOH A O    1 
HETATM 5952 O  O    . HOH I 7 .   ? -34.289 42.729 -7.618  1.00 13.46  ?  698  HOH A O    1 
HETATM 5953 O  O    . HOH I 7 .   ? -49.859 43.336 5.052   1.00 37.90  ?  699  HOH A O    1 
HETATM 5954 O  O    . HOH I 7 .   ? -28.821 54.200 27.422  1.00 51.62  ?  700  HOH A O    1 
HETATM 5955 O  O    . HOH I 7 .   ? -31.861 50.386 -8.915  1.00 38.51  ?  701  HOH A O    1 
HETATM 5956 O  O    . HOH I 7 .   ? -34.036 30.098 -1.778  1.00 23.53  ?  702  HOH A O    1 
HETATM 5957 O  O    . HOH I 7 .   ? -17.847 39.659 -1.040  1.00 25.36  ?  703  HOH A O    1 
HETATM 5958 O  O    . HOH I 7 .   ? -16.652 37.363 5.516   1.00 10.26  ?  704  HOH A O    1 
HETATM 5959 O  O    . HOH I 7 .   ? -17.232 29.793 11.651  1.00 16.47  ?  705  HOH A O    1 
HETATM 5960 O  O    . HOH I 7 .   ? -27.071 35.922 -1.724  1.00 8.74   ?  706  HOH A O    1 
HETATM 5961 O  O    . HOH I 7 .   ? -55.069 25.119 26.453  1.00 8.93   ?  707  HOH A O    1 
HETATM 5962 O  O    . HOH I 7 .   ? -26.030 18.001 -2.099  1.00 26.68  ?  708  HOH A O    1 
HETATM 5963 O  O    . HOH I 7 .   ? -20.292 35.408 4.711   1.00 9.04   ?  709  HOH A O    1 
HETATM 5964 O  O    . HOH I 7 .   ? -39.442 9.701  9.110   1.00 16.46  ?  710  HOH A O    1 
HETATM 5965 O  O    . HOH I 7 .   ? -42.373 32.123 31.195  1.00 45.26  ?  711  HOH A O    1 
HETATM 5966 O  O    . HOH I 7 .   ? -26.560 13.978 27.265  1.00 15.06  ?  712  HOH A O    1 
HETATM 5967 O  O    . HOH I 7 .   ? -35.703 42.738 9.349   1.00 7.81   ?  713  HOH A O    1 
HETATM 5968 O  O    . HOH I 7 .   ? -16.261 28.930 15.545  1.00 17.81  ?  714  HOH A O    1 
HETATM 5969 O  O    . HOH I 7 .   ? -21.350 50.141 -1.030  1.00 37.10  ?  715  HOH A O    1 
HETATM 5970 O  O    . HOH I 7 .   ? -49.496 17.594 4.708   1.00 32.80  ?  716  HOH A O    1 
HETATM 5971 O  O    . HOH I 7 .   ? -29.289 42.938 29.856  1.00 19.38  ?  717  HOH A O    1 
HETATM 5972 O  O    . HOH I 7 .   ? -35.485 18.680 8.616   1.00 8.73   ?  718  HOH A O    1 
HETATM 5973 O  O    . HOH I 7 .   ? -29.510 27.837 12.814  1.00 7.07   ?  719  HOH A O    1 
HETATM 5974 O  O    . HOH I 7 .   ? -28.226 23.316 6.949   1.00 9.89   ?  720  HOH A O    1 
HETATM 5975 O  O    . HOH I 7 .   ? -34.854 32.811 -0.546  1.00 12.79  ?  721  HOH A O    1 
HETATM 5976 O  O    . HOH I 7 .   ? -42.313 32.432 12.603  1.00 9.15   ?  722  HOH A O    1 
HETATM 5977 O  O    . HOH I 7 .   ? -17.090 44.327 14.732  1.00 8.06   ?  723  HOH A O    1 
HETATM 5978 O  O    . HOH I 7 .   ? -34.971 12.676 17.299  1.00 12.49  ?  724  HOH A O    1 
HETATM 5979 O  O    . HOH I 7 .   ? -27.555 29.252 3.622   1.00 7.55   ?  725  HOH A O    1 
HETATM 5980 O  O    . HOH I 7 .   ? -25.586 16.700 12.552  1.00 7.34   ?  726  HOH A O    1 
HETATM 5981 O  O    . HOH I 7 .   ? -31.771 39.344 34.666  1.00 54.99  ?  727  HOH A O    1 
HETATM 5982 O  O    . HOH I 7 .   ? -28.937 47.684 6.075   1.00 10.52  ?  728  HOH A O    1 
HETATM 5983 O  O    . HOH I 7 .   ? -27.375 52.177 26.327  1.00 37.18  ?  729  HOH A O    1 
HETATM 5984 O  O    . HOH I 7 .   ? -53.661 46.488 19.601  1.00 11.37  ?  730  HOH A O    1 
HETATM 5985 O  O    . HOH I 7 .   ? -16.636 36.117 11.478  1.00 15.12  ?  731  HOH A O    1 
HETATM 5986 O  O    . HOH I 7 .   ? -27.744 43.769 3.040   1.00 8.61   ?  732  HOH A O    1 
HETATM 5987 O  O    . HOH I 7 .   ? -33.877 33.371 34.971  1.00 35.90  ?  733  HOH A O    1 
HETATM 5988 O  O    . HOH I 7 .   ? -49.139 28.388 -1.664  1.00 27.43  ?  734  HOH A O    1 
HETATM 5989 O  O    . HOH I 7 .   ? -24.660 30.842 -3.837  1.00 12.78  ?  735  HOH A O    1 
HETATM 5990 O  O    . HOH I 7 .   ? -44.075 17.099 35.838  1.00 32.57  ?  736  HOH A O    1 
HETATM 5991 O  O    . HOH I 7 .   ? -28.152 27.002 17.563  1.00 9.16   ?  737  HOH A O    1 
HETATM 5992 O  O    . HOH I 7 .   ? -26.009 59.075 14.078  1.00 46.27  ?  738  HOH A O    1 
HETATM 5993 O  O    . HOH I 7 .   ? -21.992 43.832 24.402  1.00 17.75  ?  739  HOH A O    1 
HETATM 5994 O  O    . HOH I 7 .   ? -47.181 21.489 34.829  1.00 23.72  ?  740  HOH A O    1 
HETATM 5995 O  O    . HOH I 7 .   ? -16.259 20.973 7.110   1.00 12.58  ?  741  HOH A O    1 
HETATM 5996 O  O    . HOH I 7 .   ? -45.334 46.452 5.969   1.00 18.79  ?  742  HOH A O    1 
HETATM 5997 O  O    . HOH I 7 .   ? -38.020 44.557 -6.678  1.00 20.89  ?  743  HOH A O    1 
HETATM 5998 O  O    . HOH I 7 .   ? -15.644 23.918 -1.879  1.00 28.41  ?  744  HOH A O    1 
HETATM 5999 O  O    . HOH I 7 .   ? -45.730 44.527 26.301  1.00 25.41  ?  745  HOH A O    1 
HETATM 6000 O  O    . HOH I 7 .   ? -18.706 37.691 13.745  1.00 25.85  ?  746  HOH A O    1 
HETATM 6001 O  O    . HOH I 7 .   ? -33.361 47.065 0.054   1.00 10.06  ?  747  HOH A O    1 
HETATM 6002 O  O    . HOH I 7 .   ? -49.776 17.133 13.035  1.00 13.14  ?  748  HOH A O    1 
HETATM 6003 O  O    . HOH I 7 .   ? -27.281 50.896 4.822   1.00 19.43  ?  749  HOH A O    1 
HETATM 6004 O  O    . HOH I 7 .   ? -39.123 25.575 0.509   1.00 16.45  ?  750  HOH A O    1 
HETATM 6005 O  O    . HOH I 7 .   ? -43.719 46.440 28.606  1.00 55.11  ?  751  HOH A O    1 
HETATM 6006 O  O    . HOH I 7 .   ? -15.359 22.716 11.990  1.00 16.35  ?  752  HOH A O    1 
HETATM 6007 O  O    . HOH I 7 .   ? -15.307 11.895 15.738  1.00 18.16  ?  753  HOH A O    1 
HETATM 6008 O  O    . HOH I 7 .   ? -19.940 26.020 23.145  1.00 8.27   ?  754  HOH A O    1 
HETATM 6009 O  O    . HOH I 7 .   ? -22.926 34.830 4.231   1.00 9.50   ?  755  HOH A O    1 
HETATM 6010 O  O    . HOH I 7 .   ? -29.924 18.449 0.343   1.00 22.47  ?  756  HOH A O    1 
HETATM 6011 O  O    . HOH I 7 .   ? -13.303 17.846 17.059  1.00 21.15  ?  757  HOH A O    1 
HETATM 6012 O  O    . HOH I 7 .   ? -32.594 9.554  21.824  1.00 28.42  ?  758  HOH A O    1 
HETATM 6013 O  O    . HOH I 7 .   ? -30.819 8.000  17.553  1.00 30.45  ?  759  HOH A O    1 
HETATM 6014 O  O    . HOH I 7 .   ? -36.181 19.388 33.286  1.00 52.10  ?  760  HOH A O    1 
HETATM 6015 O  O    . HOH I 7 .   ? -27.847 23.626 32.031  1.00 18.51  ?  761  HOH A O    1 
HETATM 6016 O  O    . HOH I 7 .   ? -36.854 16.081 3.403   1.00 18.22  ?  762  HOH A O    1 
HETATM 6017 O  O    . HOH I 7 .   ? -29.159 20.109 16.200  1.00 7.52   ?  763  HOH A O    1 
HETATM 6018 O  O    . HOH I 7 .   ? -34.893 55.903 15.451  1.00 12.39  ?  764  HOH A O    1 
HETATM 6019 O  O    . HOH I 7 .   ? -32.350 46.998 26.629  1.00 11.68  ?  765  HOH A O    1 
HETATM 6020 O  O    . HOH I 7 .   ? -14.625 12.431 5.622   1.00 23.79  ?  766  HOH A O    1 
HETATM 6021 O  O    . HOH I 7 .   ? -46.116 16.999 3.745   1.00 21.62  ?  767  HOH A O    1 
HETATM 6022 O  O    . HOH I 7 .   ? -27.569 35.642 37.075  1.00 38.85  ?  768  HOH A O    1 
HETATM 6023 O  O    . HOH I 7 .   ? -41.950 56.529 11.450  1.00 25.34  ?  769  HOH A O    1 
HETATM 6024 O  O    . HOH I 7 .   ? -52.715 35.956 16.609  1.00 8.59   ?  770  HOH A O    1 
HETATM 6025 O  O    . HOH I 7 .   ? -34.622 25.857 -0.040  1.00 24.26  ?  771  HOH A O    1 
HETATM 6026 O  O    . HOH I 7 .   ? -21.283 16.477 22.870  1.00 14.89  ?  772  HOH A O    1 
HETATM 6027 O  O    . HOH I 7 .   ? -27.762 40.099 2.913   1.00 8.62   ?  773  HOH A O    1 
HETATM 6028 O  O    . HOH I 7 .   ? -48.179 44.874 23.995  1.00 32.03  ?  774  HOH A O    1 
HETATM 6029 O  O    . HOH I 7 .   ? -34.693 39.349 -15.772 1.00 23.83  ?  775  HOH A O    1 
HETATM 6030 O  O    . HOH I 7 .   ? -39.659 48.632 27.781  1.00 74.90  ?  776  HOH A O    1 
HETATM 6031 O  O    . HOH I 7 .   ? -29.439 57.954 25.665  1.00 50.26  ?  777  HOH A O    1 
HETATM 6032 O  O    . HOH I 7 .   ? -25.999 29.350 35.709  1.00 25.24  ?  778  HOH A O    1 
HETATM 6033 O  O    . HOH I 7 .   ? -11.456 20.393 3.869   1.00 40.72  ?  779  HOH A O    1 
HETATM 6034 O  O    . HOH I 7 .   ? -22.345 33.664 31.176  1.00 18.41  ?  780  HOH A O    1 
HETATM 6035 O  O    . HOH I 7 .   ? -33.756 49.023 -2.650  1.00 19.93  ?  781  HOH A O    1 
HETATM 6036 O  O    . HOH I 7 .   ? -38.910 39.875 2.584   1.00 11.57  ?  782  HOH A O    1 
HETATM 6037 O  O    . HOH I 7 .   ? -41.880 8.447  8.247   1.00 19.91  ?  783  HOH A O    1 
HETATM 6038 O  O    . HOH I 7 .   ? -27.087 15.690 21.380  1.00 7.79   ?  784  HOH A O    1 
HETATM 6039 O  O    . HOH I 7 .   ? -39.283 51.381 22.323  1.00 28.51  ?  785  HOH A O    1 
HETATM 6040 O  O    . HOH I 7 .   ? -16.243 10.003 8.726   1.00 12.69  ?  786  HOH A O    1 
HETATM 6041 O  O    . HOH I 7 .   ? -23.170 24.265 -4.550  1.00 27.60  ?  787  HOH A O    1 
HETATM 6042 O  O    . HOH I 7 .   ? -53.389 21.222 24.097  1.00 8.88   ?  788  HOH A O    1 
HETATM 6043 O  O    . HOH I 7 .   ? -16.156 43.965 -0.609  1.00 33.53  ?  789  HOH A O    1 
HETATM 6044 O  O    . HOH I 7 .   ? -13.532 26.446 3.781   1.00 18.82  ?  790  HOH A O    1 
HETATM 6045 O  O    . HOH I 7 .   ? -28.968 4.705  10.887  1.00 27.43  ?  791  HOH A O    1 
HETATM 6046 O  O    . HOH I 7 .   ? -10.438 14.605 12.016  1.00 50.84  ?  792  HOH A O    1 
HETATM 6047 O  O    . HOH I 7 .   ? -51.012 24.426 3.134   1.00 16.07  ?  793  HOH A O    1 
HETATM 6048 O  O    . HOH I 7 .   ? -31.801 35.735 -12.046 1.00 11.15  ?  794  HOH A O    1 
HETATM 6049 O  O    . HOH I 7 .   ? -56.793 38.855 23.269  1.00 14.70  ?  795  HOH A O    1 
HETATM 6050 O  O    . HOH I 7 .   ? -23.799 27.625 10.639  1.00 8.10   ?  796  HOH A O    1 
HETATM 6051 O  O    . HOH I 7 .   ? -37.244 54.477 15.905  1.00 13.14  ?  797  HOH A O    1 
HETATM 6052 O  O    . HOH I 7 .   ? -42.664 35.780 7.865   1.00 21.42  ?  798  HOH A O    1 
HETATM 6053 O  O    . HOH I 7 .   ? -28.545 50.696 -6.539  1.00 37.30  ?  799  HOH A O    1 
HETATM 6054 O  O    . HOH I 7 .   ? -54.290 31.118 11.031  1.00 19.08  ?  800  HOH A O    1 
HETATM 6055 O  O    . HOH I 7 .   ? -34.827 55.373 12.619  1.00 13.84  ?  801  HOH A O    1 
HETATM 6056 O  O    . HOH I 7 .   ? -43.580 30.372 11.127  1.00 12.18  ?  802  HOH A O    1 
HETATM 6057 O  O    . HOH I 7 .   ? -53.978 27.215 5.646   1.00 15.87  ?  803  HOH A O    1 
HETATM 6058 O  O    . HOH I 7 .   ? -53.797 36.835 24.992  1.00 8.76   ?  804  HOH A O    1 
HETATM 6059 O  O    . HOH I 7 .   ? -37.891 11.548 8.262   1.00 25.36  ?  805  HOH A O    1 
HETATM 6060 O  O    . HOH I 7 .   ? -20.810 40.917 9.327   1.00 8.98   ?  806  HOH A O    1 
HETATM 6061 O  O    . HOH I 7 .   ? -15.605 41.214 2.444   1.00 19.20  ?  807  HOH A O    1 
HETATM 6062 O  O    . HOH I 7 .   ? -33.830 44.164 28.355  1.00 24.09  ?  808  HOH A O    1 
HETATM 6063 O  O    . HOH I 7 .   ? -23.291 45.458 -2.079  1.00 11.19  ?  809  HOH A O    1 
HETATM 6064 O  O    . HOH I 7 .   ? -34.158 50.771 -4.748  1.00 52.60  ?  810  HOH A O    1 
HETATM 6065 O  O    . HOH I 7 .   ? -51.047 36.435 31.017  1.00 24.01  ?  811  HOH A O    1 
HETATM 6066 O  O    . HOH I 7 .   ? -47.678 9.830  4.384   1.00 41.66  ?  812  HOH A O    1 
HETATM 6067 O  O    . HOH I 7 .   ? -38.909 31.514 33.206  1.00 28.76  ?  813  HOH A O    1 
HETATM 6068 O  O    . HOH I 7 .   ? -32.126 59.758 21.937  1.00 48.85  ?  814  HOH A O    1 
HETATM 6069 O  O    . HOH I 7 .   ? -13.777 25.515 15.179  1.00 22.31  ?  815  HOH A O    1 
HETATM 6070 O  O    . HOH I 7 .   ? -14.038 49.205 2.395   1.00 56.52  ?  816  HOH A O    1 
HETATM 6071 O  O    . HOH I 7 .   ? -49.221 28.955 33.142  1.00 45.57  ?  817  HOH A O    1 
HETATM 6072 O  O    . HOH I 7 .   ? -21.184 34.408 7.312   1.00 7.73   ?  818  HOH A O    1 
HETATM 6073 O  O    . HOH I 7 .   ? -27.799 61.758 16.924  1.00 35.20  ?  819  HOH A O    1 
HETATM 6074 O  O    . HOH I 7 .   ? -38.790 9.086  17.252  1.00 29.34  ?  820  HOH A O    1 
HETATM 6075 O  O    . HOH I 7 .   ? -53.669 17.909 19.295  1.00 22.03  ?  821  HOH A O    1 
HETATM 6076 O  O    . HOH I 7 .   ? -40.390 35.808 6.609   1.00 17.78  ?  822  HOH A O    1 
HETATM 6077 O  O    . HOH I 7 .   ? -26.712 54.301 2.729   1.00 27.77  ?  823  HOH A O    1 
HETATM 6078 O  O    . HOH I 7 .   ? -40.083 45.459 29.427  1.00 29.56  ?  824  HOH A O    1 
HETATM 6079 O  O    . HOH I 7 .   ? -49.442 16.130 24.204  1.00 21.13  ?  825  HOH A O    1 
HETATM 6080 O  O    . HOH I 7 .   ? -24.827 43.024 31.929  1.00 41.05  ?  826  HOH A O    1 
HETATM 6081 O  O    . HOH I 7 .   ? -22.526 20.106 29.145  1.00 16.14  ?  827  HOH A O    1 
HETATM 6082 O  O    . HOH I 7 .   ? -17.728 39.908 16.018  1.00 9.65   ?  828  HOH A O    1 
HETATM 6083 O  O    . HOH I 7 .   ? -52.761 29.307 30.363  1.00 34.29  ?  829  HOH A O    1 
HETATM 6084 O  O    . HOH I 7 .   ? -16.423 28.383 23.989  1.00 14.99  ?  830  HOH A O    1 
HETATM 6085 O  O    . HOH I 7 .   ? -30.368 46.393 22.773  1.00 10.50  ?  831  HOH A O    1 
HETATM 6086 O  O    . HOH I 7 .   ? -46.010 30.992 30.824  1.00 34.30  ?  832  HOH A O    1 
HETATM 6087 O  O    . HOH I 7 .   ? -37.482 11.582 16.527  1.00 20.09  ?  833  HOH A O    1 
HETATM 6088 O  O    . HOH I 7 .   ? -27.607 33.177 -1.845  1.00 8.26   ?  834  HOH A O    1 
HETATM 6089 O  O    . HOH I 7 .   ? -39.779 34.615 -0.280  1.00 40.96  ?  835  HOH A O    1 
HETATM 6090 O  O    . HOH I 7 .   ? -33.064 8.698  7.234   1.00 23.74  ?  836  HOH A O    1 
HETATM 6091 O  O    . HOH I 7 .   ? -34.716 48.999 22.519  1.00 12.10  ?  837  HOH A O    1 
HETATM 6092 O  O    . HOH I 7 .   ? -46.707 12.380 10.337  1.00 11.32  ?  838  HOH A O    1 
HETATM 6093 O  O    . HOH I 7 .   ? -54.764 39.487 7.181   1.00 41.97  ?  839  HOH A O    1 
HETATM 6094 O  O    . HOH I 7 .   ? -40.192 11.028 23.643  1.00 16.87  ?  840  HOH A O    1 
HETATM 6095 O  O    . HOH I 7 .   ? -43.119 51.643 2.633   1.00 19.44  ?  841  HOH A O    1 
HETATM 6096 O  O    . HOH I 7 .   ? -19.421 16.432 20.923  1.00 31.85  ?  842  HOH A O    1 
HETATM 6097 O  O    . HOH I 7 .   ? -19.063 18.161 -2.070  1.00 17.45  ?  843  HOH A O    1 
HETATM 6098 O  O    . HOH I 7 .   ? -43.163 40.022 7.864   1.00 17.19  ?  844  HOH A O    1 
HETATM 6099 O  O    . HOH I 7 .   ? -17.706 49.607 20.437  1.00 59.94  ?  845  HOH A O    1 
HETATM 6100 O  O    . HOH I 7 .   ? -47.271 54.238 18.015  1.00 46.43  ?  846  HOH A O    1 
HETATM 6101 O  O    . HOH I 7 .   ? -16.571 20.393 -4.782  1.00 27.10  ?  847  HOH A O    1 
HETATM 6102 O  O    . HOH I 7 .   ? -22.261 56.225 10.832  1.00 24.81  ?  848  HOH A O    1 
HETATM 6103 O  O    . HOH I 7 .   ? -34.750 42.880 6.713   1.00 7.32   ?  849  HOH A O    1 
HETATM 6104 O  O    . HOH I 7 .   ? -22.953 47.867 26.273  1.00 37.14  ?  850  HOH A O    1 
HETATM 6105 O  O    . HOH I 7 .   ? -35.499 5.670  13.320  1.00 26.49  ?  851  HOH A O    1 
HETATM 6106 O  O    . HOH I 7 .   ? -24.219 15.507 29.364  1.00 22.26  ?  852  HOH A O    1 
HETATM 6107 O  O    . HOH I 7 .   ? -51.655 15.181 22.183  1.00 50.86  ?  853  HOH A O    1 
HETATM 6108 O  O    . HOH I 7 .   ? -38.208 32.106 -5.021  1.00 39.03  ?  854  HOH A O    1 
HETATM 6109 O  O    . HOH I 7 .   ? -17.390 56.972 5.618   1.00 31.59  ?  855  HOH A O    1 
HETATM 6110 O  O    . HOH I 7 .   ? -35.722 45.914 -10.177 1.00 34.65  ?  856  HOH A O    1 
HETATM 6111 O  O    . HOH I 7 .   ? -22.861 42.635 10.199  1.00 7.88   ?  857  HOH A O    1 
HETATM 6112 O  O    . HOH I 7 .   ? -29.657 20.031 30.985  1.00 34.19  ?  858  HOH A O    1 
HETATM 6113 O  O    . HOH I 7 .   ? -17.402 42.547 16.879  1.00 7.06   ?  859  HOH A O    1 
HETATM 6114 O  O    . HOH I 7 .   ? -38.220 43.935 29.404  1.00 35.51  ?  860  HOH A O    1 
HETATM 6115 O  O    . HOH I 7 .   ? -46.995 10.998 12.729  1.00 13.00  ?  861  HOH A O    1 
HETATM 6116 O  O    . HOH I 7 .   ? -41.280 30.039 13.593  1.00 9.51   ?  862  HOH A O    1 
HETATM 6117 O  O    . HOH I 7 .   ? -47.338 36.477 32.943  1.00 33.10  ?  863  HOH A O    1 
HETATM 6118 O  O    . HOH I 7 .   ? -35.503 14.094 8.166   1.00 14.88  ?  864  HOH A O    1 
HETATM 6119 O  O    . HOH I 7 .   ? -35.429 17.537 -0.222  1.00 44.15  ?  865  HOH A O    1 
HETATM 6120 O  O    . HOH I 7 .   ? -45.510 49.382 24.508  1.00 35.89  ?  866  HOH A O    1 
HETATM 6121 O  O    . HOH I 7 .   ? -25.107 40.162 33.240  1.00 29.21  ?  867  HOH A O    1 
HETATM 6122 O  O    . HOH I 7 .   ? -18.914 27.008 32.275  1.00 41.88  ?  868  HOH A O    1 
HETATM 6123 O  O    . HOH I 7 .   ? -47.866 38.928 10.191  1.00 14.49  ?  869  HOH A O    1 
HETATM 6124 O  O    . HOH I 7 .   ? -40.954 38.997 33.244  1.00 26.29  ?  870  HOH A O    1 
HETATM 6125 O  O    . HOH I 7 .   ? -33.798 38.019 31.347  1.00 19.85  ?  871  HOH A O    1 
HETATM 6126 O  O    . HOH I 7 .   ? -12.801 47.903 7.599   1.00 26.91  ?  872  HOH A O    1 
HETATM 6127 O  O    . HOH I 7 .   ? -56.818 21.447 13.671  1.00 18.97  ?  873  HOH A O    1 
HETATM 6128 O  O    . HOH I 7 .   ? -55.663 22.674 6.822   1.00 19.23  ?  874  HOH A O    1 
HETATM 6129 O  O    . HOH I 7 .   ? -28.892 40.502 32.323  1.00 30.03  ?  875  HOH A O    1 
HETATM 6130 O  O    . HOH I 7 .   ? -20.467 7.271  8.204   1.00 21.33  ?  876  HOH A O    1 
HETATM 6131 O  O    . HOH I 7 .   ? -17.057 29.819 28.376  1.00 11.84  ?  877  HOH A O    1 
HETATM 6132 O  O    . HOH I 7 .   ? -53.116 24.594 5.076   1.00 14.20  ?  878  HOH A O    1 
HETATM 6133 O  O    . HOH I 7 .   ? -17.524 7.517  9.984   1.00 24.39  ?  879  HOH A O    1 
HETATM 6134 O  O    . HOH I 7 .   ? -13.338 17.508 3.282   1.00 48.04  ?  880  HOH A O    1 
HETATM 6135 O  O    . HOH I 7 .   ? -58.734 26.647 14.203  1.00 25.15  ?  881  HOH A O    1 
HETATM 6136 O  O    . HOH I 7 .   ? -31.020 42.462 -13.966 1.00 29.31  ?  882  HOH A O    1 
HETATM 6137 O  O    . HOH I 7 .   ? -41.536 38.777 -4.321  1.00 24.51  ?  883  HOH A O    1 
HETATM 6138 O  O    . HOH I 7 .   ? -48.120 18.968 11.698  1.00 9.91   ?  884  HOH A O    1 
HETATM 6139 O  O    . HOH I 7 .   ? -20.695 58.284 4.166   1.00 26.45  ?  885  HOH A O    1 
HETATM 6140 O  O    . HOH I 7 .   ? -16.501 48.144 13.300  1.00 10.47  ?  886  HOH A O    1 
HETATM 6141 O  O    . HOH I 7 .   ? -37.920 60.767 19.347  1.00 33.97  ?  887  HOH A O    1 
HETATM 6142 O  O    . HOH I 7 .   ? -51.030 25.864 1.478   1.00 38.16  ?  888  HOH A O    1 
HETATM 6143 O  O    . HOH I 7 .   ? -19.158 41.808 -7.626  1.00 52.54  ?  889  HOH A O    1 
HETATM 6144 O  O    . HOH I 7 .   ? -24.938 56.083 12.861  1.00 28.65  ?  890  HOH A O    1 
HETATM 6145 O  O    . HOH I 7 .   ? -13.359 45.242 7.441   1.00 21.79  ?  891  HOH A O    1 
HETATM 6146 O  O    . HOH I 7 .   ? -23.690 49.052 -3.742  1.00 45.88  ?  892  HOH A O    1 
HETATM 6147 O  O    . HOH I 7 .   ? -21.689 53.273 13.400  1.00 28.61  ?  893  HOH A O    1 
HETATM 6148 O  O    . HOH I 7 .   ? -43.531 41.737 -3.766  1.00 36.36  ?  894  HOH A O    1 
HETATM 6149 O  O    . HOH I 7 .   ? -38.695 53.214 -1.938  1.00 20.88  ?  895  HOH A O    1 
HETATM 6150 O  O    . HOH I 7 .   ? -32.044 54.390 0.741   1.00 21.46  ?  896  HOH A O    1 
HETATM 6151 O  O    . HOH I 7 .   ? -24.038 33.386 -2.809  1.00 9.52   ?  897  HOH A O    1 
HETATM 6152 O  O    . HOH I 7 .   ? -14.971 37.425 1.226   1.00 47.37  ?  898  HOH A O    1 
HETATM 6153 O  O    . HOH I 7 .   ? -36.259 29.555 0.227   1.00 24.58  ?  899  HOH A O    1 
HETATM 6154 O  O    . HOH I 7 .   ? -51.584 44.850 20.581  1.00 21.00  ?  900  HOH A O    1 
HETATM 6155 O  O    . HOH I 7 .   ? -46.575 54.764 12.473  1.00 41.66  ?  901  HOH A O    1 
HETATM 6156 O  O    . HOH I 7 .   ? -32.566 50.605 1.104   1.00 17.89  ?  902  HOH A O    1 
HETATM 6157 O  O    . HOH I 7 .   ? -35.911 11.789 19.904  1.00 16.76  ?  903  HOH A O    1 
HETATM 6158 O  O    . HOH I 7 .   ? -40.907 38.725 6.527   1.00 14.01  ?  904  HOH A O    1 
HETATM 6159 O  O    . HOH I 7 .   ? -18.172 24.495 -2.072  1.00 18.85  ?  905  HOH A O    1 
HETATM 6160 O  O    . HOH I 7 .   ? -34.732 57.463 10.850  1.00 17.33  ?  906  HOH A O    1 
HETATM 6161 O  O    . HOH I 7 .   ? -37.538 42.162 -10.152 1.00 18.32  ?  907  HOH A O    1 
HETATM 6162 O  O    . HOH I 7 .   ? -48.949 13.828 9.814   1.00 18.11  ?  908  HOH A O    1 
HETATM 6163 O  O    . HOH I 7 .   ? -16.067 32.891 28.233  1.00 17.69  ?  909  HOH A O    1 
HETATM 6164 O  O    . HOH I 7 .   ? -25.956 44.765 -10.531 1.00 34.34  ?  910  HOH A O    1 
HETATM 6165 O  O    . HOH I 7 .   ? -14.884 43.459 5.946   1.00 15.16  ?  911  HOH A O    1 
HETATM 6166 O  O    . HOH I 7 .   ? -35.344 43.377 30.443  1.00 46.78  ?  912  HOH A O    1 
HETATM 6167 O  O    . HOH I 7 .   ? -23.941 10.877 16.234  1.00 19.68  ?  913  HOH A O    1 
HETATM 6168 O  O    . HOH I 7 .   ? -49.712 46.100 21.814  1.00 36.47  ?  914  HOH A O    1 
HETATM 6169 O  O    . HOH I 7 .   ? -26.073 23.801 -4.945  1.00 25.94  ?  915  HOH A O    1 
HETATM 6170 O  O    . HOH I 7 .   ? -24.919 37.324 -5.838  1.00 37.48  ?  916  HOH A O    1 
HETATM 6171 O  O    . HOH I 7 .   ? -32.627 23.716 31.915  1.00 36.11  ?  917  HOH A O    1 
HETATM 6172 O  O    . HOH I 7 .   ? -15.652 54.102 7.027   1.00 34.55  ?  918  HOH A O    1 
HETATM 6173 O  O    . HOH I 7 .   ? -20.425 54.716 11.958  1.00 30.14  ?  919  HOH A O    1 
HETATM 6174 O  O    . HOH I 7 .   ? -29.205 58.279 23.031  1.00 35.64  ?  920  HOH A O    1 
HETATM 6175 O  O    . HOH I 7 .   ? -38.773 35.621 -3.911  1.00 32.58  ?  921  HOH A O    1 
HETATM 6176 O  O    . HOH I 7 .   ? -25.496 51.542 0.671   1.00 82.90  ?  922  HOH A O    1 
HETATM 6177 O  O    . HOH I 7 .   ? -36.758 58.308 9.086   1.00 33.27  ?  923  HOH A O    1 
HETATM 6178 O  O    . HOH I 7 .   ? -49.091 33.936 3.277   1.00 34.54  ?  924  HOH A O    1 
HETATM 6179 O  O    . HOH I 7 .   ? -38.571 17.221 33.521  1.00 46.12  ?  925  HOH A O    1 
HETATM 6180 O  O    . HOH I 7 .   ? -35.173 57.185 1.716   1.00 28.84  ?  926  HOH A O    1 
HETATM 6181 O  O    . HOH I 7 .   ? -18.048 24.907 24.697  1.00 16.95  ?  927  HOH A O    1 
HETATM 6182 O  O    . HOH I 7 .   ? -27.757 8.582  -0.802  1.00 35.86  ?  928  HOH A O    1 
HETATM 6183 O  O    . HOH I 7 .   ? -33.630 59.524 4.276   1.00 34.93  ?  929  HOH A O    1 
HETATM 6184 O  O    . HOH I 7 .   ? -35.296 13.578 5.426   1.00 78.53  ?  930  HOH A O    1 
HETATM 6185 O  O    . HOH I 7 .   ? -51.376 21.882 2.556   1.00 37.88  ?  931  HOH A O    1 
HETATM 6186 O  O    . HOH I 7 .   ? -17.886 48.474 1.080   1.00 32.78  ?  932  HOH A O    1 
HETATM 6187 O  O    . HOH I 7 .   ? -33.803 30.615 36.561  1.00 43.14  ?  933  HOH A O    1 
HETATM 6188 O  O    . HOH I 7 .   ? -16.615 52.367 2.275   1.00 50.84  ?  934  HOH A O    1 
HETATM 6189 O  O    . HOH I 7 .   ? -26.698 8.543  6.029   1.00 52.55  ?  935  HOH A O    1 
HETATM 6190 O  O    . HOH I 7 .   ? -38.404 19.263 33.012  1.00 53.09  ?  936  HOH A O    1 
HETATM 6191 O  O    . HOH I 7 .   ? -28.371 7.523  12.226  1.00 30.10  ?  937  HOH A O    1 
HETATM 6192 O  O    . HOH I 7 .   ? -37.678 49.725 28.854  1.00 63.57  ?  938  HOH A O    1 
HETATM 6193 O  O    . HOH I 7 .   ? -43.292 50.618 23.492  1.00 31.88  ?  939  HOH A O    1 
HETATM 6194 O  O    . HOH I 7 .   ? -21.720 29.707 34.186  1.00 26.59  ?  940  HOH A O    1 
HETATM 6195 O  O    . HOH I 7 .   ? -34.081 48.421 -10.656 1.00 56.26  ?  941  HOH A O    1 
HETATM 6196 O  O    . HOH I 7 .   ? -56.426 18.493 10.631  1.00 34.94  ?  942  HOH A O    1 
HETATM 6197 O  O    . HOH I 7 .   ? -19.956 9.782  15.155  1.00 47.57  ?  943  HOH A O    1 
HETATM 6198 O  O    . HOH I 7 .   ? -10.854 14.804 6.974   1.00 50.77  ?  944  HOH A O    1 
HETATM 6199 O  O    . HOH I 7 .   ? -23.507 38.537 35.185  1.00 59.98  ?  945  HOH A O    1 
HETATM 6200 O  O    . HOH I 7 .   ? -36.931 42.276 -7.442  1.00 20.77  ?  946  HOH A O    1 
HETATM 6201 O  O    . HOH I 7 .   ? -16.119 30.034 2.504   1.00 37.15  ?  947  HOH A O    1 
HETATM 6202 O  O    . HOH I 7 .   ? -14.586 51.791 4.748   1.00 43.36  ?  948  HOH A O    1 
HETATM 6203 O  O    . HOH I 7 .   ? -28.053 46.302 3.929   1.00 12.67  ?  949  HOH A O    1 
HETATM 6204 O  O    . HOH I 7 .   ? -25.849 48.615 -4.789  1.00 32.44  ?  950  HOH A O    1 
HETATM 6205 O  O    . HOH I 7 .   ? -17.674 39.027 27.663  1.00 46.20  ?  951  HOH A O    1 
HETATM 6206 O  O    . HOH I 7 .   ? -38.254 61.335 11.983  1.00 65.51  ?  952  HOH A O    1 
HETATM 6207 O  O    . HOH I 7 .   ? -18.233 47.831 -4.256  1.00 46.68  ?  953  HOH A O    1 
HETATM 6208 O  O    . HOH I 7 .   ? -38.307 57.452 7.644   1.00 39.70  ?  954  HOH A O    1 
HETATM 6209 O  O    . HOH I 7 .   ? -15.664 53.930 3.983   1.00 60.86  ?  955  HOH A O    1 
HETATM 6210 O  O    . HOH I 7 .   ? -27.180 38.015 36.162  1.00 72.75  ?  956  HOH A O    1 
HETATM 6211 O  O    . HOH I 7 .   ? -48.005 39.908 7.535   1.00 24.96  ?  957  HOH A O    1 
HETATM 6212 O  O    . HOH I 7 .   ? -38.285 7.048  9.620   1.00 39.56  ?  958  HOH A O    1 
HETATM 6213 O  O    . HOH I 7 .   ? -43.531 15.081 34.445  1.00 24.55  ?  959  HOH A O    1 
HETATM 6214 O  O    . HOH I 7 .   ? -30.030 50.308 5.654   1.00 18.18  ?  960  HOH A O    1 
HETATM 6215 O  O    . HOH I 7 .   ? -53.793 18.238 21.935  1.00 25.75  ?  961  HOH A O    1 
HETATM 6216 O  O    . HOH I 7 .   ? -19.895 44.143 26.134  1.00 30.61  ?  962  HOH A O    1 
HETATM 6217 O  O    . HOH I 7 .   ? -46.959 42.257 6.229   1.00 27.30  ?  963  HOH A O    1 
HETATM 6218 O  O    . HOH I 7 .   ? -57.061 22.716 16.220  1.00 18.86  ?  964  HOH A O    1 
HETATM 6219 O  O    . HOH I 7 .   ? -44.789 35.761 6.117   1.00 35.51  ?  965  HOH A O    1 
HETATM 6220 O  O    . HOH I 7 .   ? -55.360 34.959 29.283  1.00 22.23  ?  966  HOH A O    1 
HETATM 6221 O  O    . HOH I 7 .   ? -24.347 53.677 13.066  1.00 30.76  ?  967  HOH A O    1 
HETATM 6222 O  O    . HOH I 7 .   ? -44.866 33.050 2.200   1.00 41.67  ?  968  HOH A O    1 
HETATM 6223 O  O    . HOH I 7 .   ? -47.618 37.225 6.187   1.00 29.91  ?  969  HOH A O    1 
HETATM 6224 O  O    . HOH I 7 .   ? -16.334 34.414 1.842   1.00 44.94  ?  970  HOH A O    1 
HETATM 6225 O  O    . HOH I 7 .   ? -49.820 16.051 16.017  1.00 30.15  ?  971  HOH A O    1 
HETATM 6226 O  O    . HOH I 7 .   ? -40.637 28.396 34.264  1.00 42.91  ?  972  HOH A O    1 
HETATM 6227 O  O    . HOH I 7 .   ? -17.443 32.417 12.720  1.00 16.03  ?  973  HOH A O    1 
HETATM 6228 O  O    . HOH I 7 .   ? -52.477 48.857 19.518  1.00 22.82  ?  974  HOH A O    1 
HETATM 6229 O  O    . HOH I 7 .   ? -41.574 47.929 32.666  1.00 65.70  ?  975  HOH A O    1 
HETATM 6230 O  O    . HOH I 7 .   ? -43.177 52.258 -0.003  1.00 44.94  ?  976  HOH A O    1 
HETATM 6231 O  O    . HOH I 7 .   ? -48.387 15.264 26.860  1.00 35.49  ?  977  HOH A O    1 
HETATM 6232 O  O    . HOH I 7 .   ? -16.524 46.285 -2.609  1.00 51.43  ?  978  HOH A O    1 
HETATM 6233 O  O    . HOH I 7 .   ? -25.050 26.407 -9.278  1.00 53.38  ?  979  HOH A O    1 
HETATM 6234 O  O    . HOH I 7 .   ? -16.828 34.936 30.238  1.00 43.83  ?  980  HOH A O    1 
HETATM 6235 O  O    . HOH I 7 .   ? -12.284 18.869 13.077  1.00 36.15  ?  981  HOH A O    1 
HETATM 6236 O  O    . HOH I 7 .   ? -32.608 47.731 23.825  1.00 12.46  ?  982  HOH A O    1 
HETATM 6237 O  O    . HOH I 7 .   ? -20.979 40.842 -6.670  1.00 35.72  ?  983  HOH A O    1 
HETATM 6238 O  O    . HOH I 7 .   ? -33.528 35.422 34.736  1.00 48.79  ?  984  HOH A O    1 
HETATM 6239 O  O    . HOH I 7 .   ? -15.103 14.008 17.475  1.00 23.68  ?  985  HOH A O    1 
HETATM 6240 O  O    . HOH I 7 .   ? -25.203 31.761 -7.825  1.00 46.95  ?  986  HOH A O    1 
HETATM 6241 O  O    . HOH I 7 .   ? -44.402 43.827 -4.955  1.00 59.60  ?  987  HOH A O    1 
HETATM 6242 O  O    . HOH I 7 .   ? -13.457 20.919 -0.854  1.00 56.93  ?  988  HOH A O    1 
HETATM 6243 O  O    . HOH I 7 .   ? -55.994 36.665 26.711  1.00 12.63  ?  989  HOH A O    1 
HETATM 6244 O  O    . HOH I 7 .   ? -47.496 45.010 6.843   1.00 19.27  ?  990  HOH A O    1 
HETATM 6245 O  O    . HOH I 7 .   ? -47.757 53.001 9.959   1.00 33.18  ?  991  HOH A O    1 
HETATM 6246 O  O    . HOH I 7 .   ? -28.353 25.674 34.060  1.00 22.85  ?  992  HOH A O    1 
HETATM 6247 O  O    . HOH I 7 .   ? -52.307 20.636 28.873  1.00 18.71  ?  993  HOH A O    1 
HETATM 6248 O  O    . HOH I 7 .   ? -17.309 50.454 11.885  1.00 16.98  ?  994  HOH A O    1 
HETATM 6249 O  O    . HOH I 7 .   ? -13.664 25.517 8.953   1.00 46.67  ?  995  HOH A O    1 
HETATM 6250 O  O    . HOH I 7 .   ? -49.183 36.627 4.216   1.00 48.44  ?  996  HOH A O    1 
HETATM 6251 O  O    . HOH I 7 .   ? -56.959 25.062 9.672   1.00 44.76  ?  997  HOH A O    1 
HETATM 6252 O  O    . HOH I 7 .   ? -15.886 42.131 13.485  1.00 11.56  ?  998  HOH A O    1 
HETATM 6253 O  O    . HOH I 7 .   ? -54.584 34.104 6.703   1.00 40.39  ?  999  HOH A O    1 
HETATM 6254 O  O    . HOH I 7 .   ? -32.000 60.857 9.263   1.00 38.64  ?  1000 HOH A O    1 
HETATM 6255 O  O    . HOH I 7 .   ? -22.839 46.405 24.347  1.00 23.33  ?  1001 HOH A O    1 
HETATM 6256 O  O    . HOH I 7 .   ? -42.339 32.120 9.443   1.00 34.27  ?  1002 HOH A O    1 
HETATM 6257 O  O    . HOH I 7 .   ? -39.318 19.177 35.038  1.00 46.08  ?  1003 HOH A O    1 
HETATM 6258 O  O    . HOH I 7 .   ? -17.527 41.250 28.253  1.00 40.49  ?  1004 HOH A O    1 
HETATM 6259 O  O    . HOH I 7 .   ? -27.546 52.360 2.395   1.00 41.43  ?  1005 HOH A O    1 
HETATM 6260 O  O    . HOH I 7 .   ? -31.160 48.732 -0.420  1.00 19.21  ?  1006 HOH A O    1 
HETATM 6261 O  O    . HOH I 7 .   ? -11.423 18.706 15.465  1.00 38.37  ?  1007 HOH A O    1 
HETATM 6262 O  O    . HOH I 7 .   ? -33.691 59.973 11.124  1.00 46.49  ?  1008 HOH A O    1 
HETATM 6263 O  O    . HOH I 7 .   ? -50.865 29.542 2.454   1.00 22.88  ?  1009 HOH A O    1 
HETATM 6264 O  O    . HOH I 7 .   ? -23.372 59.686 8.109   1.00 44.49  ?  1010 HOH A O    1 
HETATM 6265 O  O    . HOH I 7 .   ? -28.573 48.554 0.260   1.00 38.24  ?  1011 HOH A O    1 
HETATM 6266 O  O    . HOH I 7 .   ? -17.025 29.586 31.140  1.00 37.29  ?  1012 HOH A O    1 
HETATM 6267 O  O    . HOH I 7 .   ? -23.221 29.579 36.448  1.00 42.68  ?  1013 HOH A O    1 
HETATM 6268 O  O    . HOH I 7 .   ? -25.488 35.451 -3.940  1.00 10.43  ?  1014 HOH A O    1 
HETATM 6269 O  O    . HOH I 7 .   ? -40.897 37.905 2.585   1.00 29.19  ?  1015 HOH A O    1 
HETATM 6270 O  O    . HOH I 7 .   ? -14.856 16.670 2.041   1.00 56.25  ?  1016 HOH A O    1 
HETATM 6271 O  O    . HOH I 7 .   ? -29.431 34.726 -13.231 1.00 23.92  ?  1017 HOH A O    1 
HETATM 6272 O  O    . HOH I 7 .   ? -52.499 40.486 5.582   1.00 35.45  ?  1018 HOH A O    1 
HETATM 6273 O  O    . HOH I 7 .   ? -23.531 30.515 -6.167  1.00 32.97  ?  1019 HOH A O    1 
HETATM 6274 O  O    . HOH I 7 .   ? -27.229 36.456 -13.154 1.00 28.61  ?  1020 HOH A O    1 
HETATM 6275 O  O    . HOH I 7 .   ? -30.527 36.332 -15.209 1.00 37.90  ?  1021 HOH A O    1 
HETATM 6276 O  O    . HOH I 7 .   ? -15.416 25.295 12.999  1.00 18.20  ?  1022 HOH A O    1 
HETATM 6277 O  O    . HOH I 7 .   ? -55.509 20.518 22.489  1.00 16.56  ?  1023 HOH A O    1 
HETATM 6278 O  O    . HOH I 7 .   ? -44.387 13.134 31.844  1.00 44.10  ?  1024 HOH A O    1 
HETATM 6279 O  O    . HOH I 7 .   ? -31.192 48.315 28.850  1.00 47.78  ?  1025 HOH A O    1 
HETATM 6280 O  O    . HOH I 7 .   ? -39.429 41.224 32.534  1.00 42.06  ?  1026 HOH A O    1 
HETATM 6281 O  O    . HOH I 7 .   ? -31.530 51.351 3.447   1.00 22.14  ?  1027 HOH A O    1 
HETATM 6282 O  O    . HOH I 7 .   ? -35.535 19.169 35.312  1.00 32.54  ?  1028 HOH A O    1 
HETATM 6283 O  O    . HOH I 7 .   ? -21.653 26.648 -4.714  1.00 42.15  ?  1029 HOH A O    1 
HETATM 6284 O  O    . HOH I 7 .   ? -37.180 27.190 -0.413  1.00 36.48  ?  1030 HOH A O    1 
HETATM 6285 O  O    . HOH I 7 .   ? -54.859 37.774 28.915  1.00 43.51  ?  1031 HOH A O    1 
HETATM 6286 O  O    . HOH I 7 .   ? -17.696 34.876 4.122   1.00 15.79  ?  1032 HOH A O    1 
HETATM 6287 O  O    . HOH I 7 .   ? -15.064 51.787 10.974  1.00 21.50  ?  1033 HOH A O    1 
HETATM 6288 O  O    . HOH I 7 .   ? -19.708 17.373 24.890  1.00 24.13  ?  1034 HOH A O    1 
HETATM 6289 O  O    . HOH I 7 .   ? -32.197 22.203 34.185  1.00 46.96  ?  1035 HOH A O    1 
HETATM 6290 O  O    . HOH I 7 .   ? -44.923 12.594 23.423  1.00 49.57  ?  1036 HOH A O    1 
HETATM 6291 O  O    . HOH I 7 .   ? -58.010 21.431 8.014   1.00 47.23  ?  1037 HOH A O    1 
HETATM 6292 O  O    . HOH I 7 .   ? -28.982 28.675 -10.428 1.00 79.61  ?  1038 HOH A O    1 
HETATM 6293 O  O    . HOH I 7 .   ? -45.591 30.995 -1.761  1.00 39.17  ?  1039 HOH A O    1 
HETATM 6294 O  O    . HOH I 7 .   ? -14.114 38.452 5.339   1.00 27.53  ?  1040 HOH A O    1 
HETATM 6295 O  O    . HOH I 7 .   ? -18.168 45.278 26.386  1.00 57.38  ?  1041 HOH A O    1 
HETATM 6296 O  O    . HOH I 7 .   ? -23.743 48.188 -1.470  1.00 23.75  ?  1042 HOH A O    1 
HETATM 6297 O  O    . HOH I 7 .   ? -21.617 53.332 -3.203  1.00 63.01  ?  1043 HOH A O    1 
HETATM 6298 O  O    . HOH I 7 .   ? -58.053 18.425 16.964  1.00 43.27  ?  1044 HOH A O    1 
HETATM 6299 O  O    . HOH I 7 .   ? -19.652 18.538 26.446  1.00 43.82  ?  1045 HOH A O    1 
HETATM 6300 O  O    . HOH I 7 .   ? -47.894 11.276 17.744  1.00 36.57  ?  1046 HOH A O    1 
HETATM 6301 O  O    . HOH I 7 .   ? -47.888 30.481 -2.856  1.00 47.02  ?  1047 HOH A O    1 
HETATM 6302 O  O    . HOH I 7 .   ? -35.269 19.953 37.590  1.00 51.72  ?  1048 HOH A O    1 
HETATM 6303 O  O    . HOH I 7 .   ? -49.398 12.437 13.680  1.00 30.75  ?  1049 HOH A O    1 
HETATM 6304 O  O    . HOH I 7 .   ? -15.394 40.429 -2.131  1.00 47.34  ?  1050 HOH A O    1 
HETATM 6305 O  O    . HOH I 7 .   ? -23.409 8.979  7.171   1.00 21.78  ?  1051 HOH A O    1 
HETATM 6306 O  O    . HOH I 7 .   ? -14.304 29.363 11.994  1.00 42.68  ?  1052 HOH A O    1 
HETATM 6307 O  O    . HOH I 7 .   ? -37.268 9.570  20.499  1.00 36.52  ?  1053 HOH A O    1 
HETATM 6308 O  O    . HOH I 7 .   ? -20.945 35.964 -2.336  1.00 23.76  ?  1054 HOH A O    1 
HETATM 6309 O  O    . HOH I 7 .   ? -14.333 32.803 2.336   1.00 66.46  ?  1055 HOH A O    1 
HETATM 6310 O  O    . HOH I 7 .   ? -13.727 41.104 4.835   1.00 30.61  ?  1056 HOH A O    1 
HETATM 6311 O  O    . HOH I 7 .   ? -12.633 21.776 12.399  1.00 26.46  ?  1057 HOH A O    1 
HETATM 6312 O  O    . HOH I 7 .   ? -15.073 22.478 9.204   1.00 15.82  ?  1058 HOH A O    1 
HETATM 6313 O  O    . HOH I 7 .   ? -55.880 19.072 18.307  1.00 22.18  ?  1059 HOH A O    1 
HETATM 6314 O  O    . HOH I 7 .   ? -47.646 14.141 22.440  1.00 39.58  ?  1060 HOH A O    1 
HETATM 6315 O  O    . HOH I 7 .   ? -44.016 35.279 3.550   1.00 35.28  ?  1061 HOH A O    1 
HETATM 6316 O  O    . HOH I 7 .   ? -17.565 37.383 30.098  1.00 44.49  ?  1062 HOH A O    1 
HETATM 6317 O  O    . HOH I 7 .   ? -50.322 14.676 11.995  1.00 23.10  ?  1063 HOH A O    1 
HETATM 6318 O  O    . HOH I 7 .   ? -23.287 6.718  14.426  1.00 47.09  ?  1064 HOH A O    1 
HETATM 6319 O  O    . HOH I 7 .   ? -51.553 26.366 -0.429  1.00 68.99  ?  1065 HOH A O    1 
HETATM 6320 O  O    . HOH I 7 .   ? -32.010 53.527 -1.472  1.00 49.98  ?  1066 HOH A O    1 
HETATM 6321 O  O    . HOH I 7 .   ? -49.191 13.450 16.091  1.00 33.22  ?  1067 HOH A O    1 
HETATM 6322 O  O    . HOH I 7 .   ? -10.477 21.597 5.580   1.00 59.94  ?  1068 HOH A O    1 
HETATM 6323 O  O    . HOH I 7 .   ? -13.915 28.968 2.913   1.00 39.99  ?  1069 HOH A O    1 
HETATM 6324 O  O    . HOH I 7 .   ? -41.615 48.061 -6.099  1.00 54.25  ?  1070 HOH A O    1 
HETATM 6325 O  O    . HOH I 7 .   ? -12.919 15.164 17.601  1.00 43.41  ?  1071 HOH A O    1 
HETATM 6326 O  O    . HOH I 7 .   ? -16.169 38.847 29.026  1.00 62.99  ?  1072 HOH A O    1 
HETATM 6327 O  O    . HOH I 7 .   ? -44.208 44.006 5.178   1.00 37.28  ?  1073 HOH A O    1 
HETATM 6328 O  O    . HOH I 7 .   ? -38.620 8.888  23.432  1.00 28.10  ?  1074 HOH A O    1 
HETATM 6329 O  O    . HOH I 7 .   ? -28.293 17.699 -1.478  1.00 54.70  ?  1075 HOH A O    1 
HETATM 6330 O  O    . HOH I 7 .   ? -20.055 18.980 28.866  1.00 32.02  ?  1076 HOH A O    1 
HETATM 6331 O  O    . HOH I 7 .   ? -50.893 29.757 -0.210  1.00 33.36  ?  1077 HOH A O    1 
HETATM 6332 O  O    . HOH I 7 .   ? -14.408 46.621 0.479   1.00 54.40  ?  1078 HOH A O    1 
HETATM 6333 O  O    . HOH I 7 .   ? -38.387 44.765 -10.970 1.00 40.96  ?  1079 HOH A O    1 
HETATM 6334 O  O    . HOH I 7 .   ? -20.791 31.871 33.271  1.00 24.69  ?  1080 HOH A O    1 
HETATM 6335 O  O    . HOH I 7 .   ? -18.217 31.428 32.866  1.00 36.94  ?  1081 HOH A O    1 
HETATM 6336 O  O    . HOH I 7 .   ? -43.248 39.762 3.393   1.00 52.24  ?  1082 HOH A O    1 
HETATM 6337 O  O    . HOH I 7 .   ? -13.106 46.825 2.149   1.00 48.28  ?  1083 HOH A O    1 
HETATM 6338 O  O    . HOH I 7 .   ? -41.763 15.641 35.661  1.00 45.97  ?  1084 HOH A O    1 
HETATM 6339 O  O    . HOH I 7 .   ? -15.188 30.977 29.561  1.00 24.53  ?  1085 HOH A O    1 
HETATM 6340 O  O    . HOH I 7 .   ? -16.141 27.904 26.732  1.00 19.57  ?  1086 HOH A O    1 
HETATM 6341 O  O    . HOH I 7 .   ? -31.778 15.179 31.844  1.00 223.47 ?  1087 HOH A O    1 
HETATM 6342 O  O    . HOH I 7 .   ? -18.781 37.547 -2.668  1.00 35.24  ?  1088 HOH A O    1 
HETATM 6343 O  O    . HOH I 7 .   ? -50.512 32.309 2.491   1.00 46.59  ?  1089 HOH A O    1 
HETATM 6344 O  O    . HOH I 7 .   ? -35.957 38.470 32.562  1.00 44.03  ?  1090 HOH A O    1 
HETATM 6345 O  O    . HOH I 7 .   ? -36.805 49.096 -8.365  1.00 46.31  ?  1091 HOH A O    1 
HETATM 6346 O  O    . HOH I 7 .   ? -12.766 50.614 11.814  1.00 14.18  ?  1092 HOH A O    1 
HETATM 6347 O  O    . HOH I 7 .   ? -53.204 28.991 3.642   1.00 23.11  ?  1093 HOH A O    1 
HETATM 6348 O  O    . HOH I 7 .   ? -53.562 34.364 4.425   1.00 51.73  ?  1094 HOH A O    1 
HETATM 6349 O  O    . HOH I 7 .   ? -21.445 33.638 -3.636  1.00 26.53  ?  1095 HOH A O    1 
HETATM 6350 O  O    . HOH I 7 .   ? -51.563 37.168 3.421   1.00 55.72  ?  1096 HOH A O    1 
HETATM 6351 O  O    . HOH I 7 .   ? -39.530 34.013 -5.914  1.00 56.18  ?  1097 HOH A O    1 
HETATM 6352 O  O    . HOH I 7 .   ? -27.301 48.303 2.164   1.00 69.02  ?  1098 HOH A O    1 
HETATM 6353 O  O    . HOH I 7 .   ? -17.729 30.207 35.552  1.00 58.58  ?  1099 HOH A O    1 
HETATM 6354 O  O    . HOH I 7 .   ? -10.546 21.193 16.392  1.00 45.59  ?  1100 HOH A O    1 
HETATM 6355 O  O    . HOH I 7 .   ? -23.760 60.468 -3.411  1.00 45.51  ?  1101 HOH A O    1 
HETATM 6356 O  O    . HOH I 7 .   ? -23.374 58.797 -3.791  1.00 56.47  ?  1102 HOH A O    1 
HETATM 6357 O  O    . HOH I 7 .   ? -52.651 26.952 -2.736  1.00 43.77  ?  1103 HOH A O    1 
HETATM 6358 O  O    . HOH I 7 .   ? -41.469 30.056 -4.854  1.00 31.64  ?  1104 HOH A O    1 
HETATM 6359 O  O    . HOH I 7 .   ? -53.337 28.935 -1.095  1.00 27.86  ?  1105 HOH A O    1 
HETATM 6360 O  O    . HOH I 7 .   ? -11.067 45.866 3.316   1.00 51.23  ?  1106 HOH A O    1 
HETATM 6361 O  O    . HOH I 7 .   ? -20.835 34.827 -5.923  1.00 62.60  ?  1107 HOH A O    1 
HETATM 6362 O  O    . HOH I 7 .   ? -24.833 59.881 -5.127  1.00 48.43  ?  1108 HOH A O    1 
HETATM 6363 O  O    . HOH I 7 .   ? -24.276 56.912 -5.318  1.00 35.80  ?  1109 HOH A O    1 
HETATM 6364 O  O    . HOH I 7 .   ? -28.279 57.258 -5.282  1.00 68.03  ?  1110 HOH A O    1 
HETATM 6365 O  O    . HOH I 7 .   ? -54.044 31.333 -1.450  1.00 30.96  ?  1111 HOH A O    1 
HETATM 6366 O  O    . HOH I 7 .   ? -9.414  44.954 1.368   1.00 46.56  ?  1112 HOH A O    1 
HETATM 6367 O  O    . HOH I 7 .   ? -45.115 32.845 -6.720  1.00 31.72  ?  1113 HOH A O    1 
HETATM 6368 O  O    . HOH I 7 .   ? -7.366  43.063 1.950   1.00 41.76  ?  1114 HOH A O    1 
HETATM 6369 O  O    . HOH I 7 .   ? -5.492  42.039 1.400   1.00 40.62  ?  1115 HOH A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N  N    . PHE A 24  ? 0.2675 0.3305 0.2404 -0.0152 0.0407  0.0194  24   PHE A N    
2    C  CA   . PHE A 24  ? 0.2232 0.2946 0.1167 -0.0106 0.0293  0.0177  24   PHE A CA   
3    C  C    . PHE A 24  ? 0.2144 0.2605 0.0652 -0.0122 0.0275  0.0176  24   PHE A C    
4    O  O    . PHE A 24  ? 0.2592 0.2528 0.0738 -0.0328 0.0303  0.0034  24   PHE A O    
5    C  CB   . PHE A 24  ? 0.2042 0.2930 0.0891 0.0000  0.0043  0.0086  24   PHE A CB   
6    C  CG   . PHE A 24  ? 0.1806 0.2745 0.0709 -0.0094 0.0052  -0.0008 24   PHE A CG   
7    C  CD1  . PHE A 24  ? 0.1864 0.2759 0.0483 -0.0018 -0.0057 -0.0043 24   PHE A CD1  
8    C  CD2  . PHE A 24  ? 0.1815 0.2477 0.0386 -0.0061 0.0075  -0.0125 24   PHE A CD2  
9    C  CE1  . PHE A 24  ? 0.1929 0.2754 0.0563 -0.0102 0.0015  -0.0103 24   PHE A CE1  
10   C  CE2  . PHE A 24  ? 0.1896 0.2511 0.0455 -0.0079 0.0039  -0.0127 24   PHE A CE2  
11   C  CZ   . PHE A 24  ? 0.2092 0.2543 0.0619 -0.0112 0.0005  -0.0145 24   PHE A CZ   
12   H  H    . PHE A 24  ? 0.2554 0.3222 0.1972 -0.0173 0.0347  0.0237  24   PHE A H    
13   H  HA   . PHE A 24  ? 0.2228 0.2915 0.1132 -0.0082 0.0270  0.0176  24   PHE A HA   
14   H  HB2  . PHE A 24  ? 0.2001 0.2878 0.0891 -0.0039 0.0096  0.0085  24   PHE A HB2  
15   H  HB3  . PHE A 24  ? 0.2007 0.2875 0.0887 -0.0043 0.0101  0.0085  24   PHE A HB3  
16   H  HD1  . PHE A 24  ? 0.1845 0.2740 0.0520 -0.0040 -0.0041 -0.0032 24   PHE A HD1  
17   H  HD2  . PHE A 24  ? 0.1825 0.2539 0.0471 -0.0079 0.0056  -0.0101 24   PHE A HD2  
18   H  HE1  . PHE A 24  ? 0.1948 0.2702 0.0557 -0.0085 -0.0003 -0.0098 24   PHE A HE1  
19   H  HE2  . PHE A 24  ? 0.1912 0.2512 0.0468 -0.0078 0.0034  -0.0125 24   PHE A HE2  
20   H  HZ   . PHE A 24  ? 0.2002 0.2580 0.0563 -0.0100 0.0017  -0.0127 24   PHE A HZ   
21   N  N    . ASP A 25  ? 0.2146 0.2755 0.0645 0.0081  0.0324  -0.0064 25   ASP A N    
22   C  CA   . ASP A 25  ? 0.2233 0.2712 0.0640 0.0112  0.0313  -0.0044 25   ASP A CA   
23   C  C    . ASP A 25  ? 0.2020 0.2273 0.0601 0.0068  0.0368  -0.0117 25   ASP A C    
24   O  O    . ASP A 25  ? 0.2521 0.2285 0.0573 -0.0033 0.0269  -0.0112 25   ASP A O    
25   C  CB   . ASP A 25  ? 0.2440 0.3059 0.0302 0.0316  0.0315  -0.0104 25   ASP A CB   
26   C  CG   . ASP A 25  ? 0.2500 0.3246 0.0578 0.0522  0.0232  -0.0348 25   ASP A CG   
27   O  OD1  . ASP A 25  ? 0.2246 0.3777 0.1322 0.0346  0.0067  -0.0266 25   ASP A OD1  
28   O  OD2  . ASP A 25  ? 0.3955 0.3742 0.1406 0.0641  0.0243  -0.0807 25   ASP A OD2  
29   H  H    . ASP A 25  ? 0.2171 0.2716 0.0651 0.0042  0.0312  0.0002  25   ASP A H    
30   H  HA   . ASP A 25  ? 0.2204 0.2680 0.0582 0.0131  0.0324  -0.0071 25   ASP A HA   
31   H  HB2  . ASP A 25  ? 0.2402 0.2992 0.0340 0.0312  0.0298  -0.0098 25   ASP A HB2  
32   H  HB3  . ASP A 25  ? 0.2410 0.3011 0.0424 0.0319  0.0296  -0.0134 25   ASP A HB3  
33   N  N    . TYR A 26  ? 0.1692 0.2040 0.0762 -0.0108 0.0111  0.0067  26   TYR A N    
34   C  CA   . TYR A 26  ? 0.1725 0.2061 0.0680 -0.0065 0.0045  0.0132  26   TYR A CA   
35   C  C    . TYR A 26  ? 0.1883 0.2352 0.0667 0.0080  -0.0003 0.0113  26   TYR A C    
36   O  O    . TYR A 26  ? 0.2355 0.2305 0.0758 0.0034  0.0102  0.0230  26   TYR A O    
37   C  CB   . TYR A 26  ? 0.1632 0.2074 0.0578 -0.0199 0.0088  0.0063  26   TYR A CB   
38   C  CG   . TYR A 26  ? 0.1523 0.1846 0.0417 -0.0249 0.0059  0.0199  26   TYR A CG   
39   C  CD1  . TYR A 26  ? 0.1548 0.1866 0.0333 -0.0210 0.0033  0.0213  26   TYR A CD1  
40   C  CD2  . TYR A 26  ? 0.1564 0.1845 0.0322 -0.0234 0.0063  0.0135  26   TYR A CD2  
41   C  CE1  . TYR A 26  ? 0.1450 0.1889 0.0542 -0.0191 0.0177  0.0277  26   TYR A CE1  
42   C  CE2  . TYR A 26  ? 0.1573 0.1832 0.0476 -0.0271 0.0135  0.0175  26   TYR A CE2  
43   C  CZ   . TYR A 26  ? 0.1566 0.1798 0.0144 -0.0210 0.0175  0.0064  26   TYR A CZ   
44   O  OH   . TYR A 26  ? 0.1619 0.1889 0.0572 -0.0126 0.0018  -0.0046 26   TYR A OH   
45   H  H    . TYR A 26  ? 0.1766 0.2062 0.0705 -0.0065 0.0156  0.0051  26   TYR A H    
46   H  HA   . TYR A 26  ? 0.1738 0.2117 0.0686 -0.0077 0.0065  0.0104  26   TYR A HA   
47   H  HB2  . TYR A 26  ? 0.1628 0.2014 0.0562 -0.0179 0.0070  0.0108  26   TYR A HB2  
48   H  HB3  . TYR A 26  ? 0.1624 0.2016 0.0599 -0.0184 0.0078  0.0098  26   TYR A HB3  
49   H  HD1  . TYR A 26  ? 0.1523 0.1861 0.0394 -0.0215 0.0072  0.0225  26   TYR A HD1  
50   H  HD2  . TYR A 26  ? 0.1562 0.1845 0.0381 -0.0243 0.0075  0.0157  26   TYR A HD2  
51   H  HE1  . TYR A 26  ? 0.1489 0.1856 0.0378 -0.0207 0.0153  0.0211  26   TYR A HE1  
52   H  HE2  . TYR A 26  ? 0.1568 0.1833 0.0360 -0.0246 0.0127  0.0134  26   TYR A HE2  
53   H  HH   . TYR A 26  ? 0.1407 0.1407 0.1407 0.0000  0.0000  0.0000  26   TYR A HH   
54   N  N    . ASN A 27  ? 0.1931 0.2558 0.1121 0.0144  0.0023  0.0219  27   ASN A N    
55   C  CA   . ASN A 27  ? 0.2070 0.3025 0.1304 0.0317  -0.0012 0.0217  27   ASN A CA   
56   C  C    . ASN A 27  ? 0.2429 0.2830 0.1740 0.0525  0.0049  0.0125  27   ASN A C    
57   O  O    . ASN A 27  ? 0.3088 0.2956 0.2152 0.0663  -0.0448 0.0316  27   ASN A O    
58   C  CB   . ASN A 27  ? 0.2319 0.3675 0.1839 0.0198  0.0249  0.0388  27   ASN A CB   
59   C  CG   . ASN A 27  ? 0.2619 0.4557 0.2221 0.0208  0.0133  0.0207  27   ASN A CG   
60   O  OD1  . ASN A 27  ? 0.3011 0.5344 0.2207 -0.0148 0.0308  -0.0112 27   ASN A OD1  
61   N  ND2  . ASN A 27  ? 0.3445 0.5472 0.2938 0.0443  0.0474  0.0112  27   ASN A ND2  
62   H  H    . ASN A 27  ? 0.1939 0.2579 0.1025 0.0156  0.0014  0.0180  27   ASN A H    
63   H  HA   . ASN A 27  ? 0.2115 0.2956 0.1310 0.0288  0.0023  0.0219  27   ASN A HA   
64   H  HB2  . ASN A 27  ? 0.2285 0.3617 0.1734 0.0230  0.0157  0.0304  27   ASN A HB2  
65   H  HB3  . ASN A 27  ? 0.2302 0.3645 0.1820 0.0242  0.0171  0.0342  27   ASN A HB3  
66   H  HD21 . ASN A 27  ? 0.3149 0.5082 0.2832 0.0362  0.0438  0.0207  27   ASN A HD21 
67   H  HD22 . ASN A 27  ? 0.3286 0.5121 0.2713 0.0292  0.0438  0.0134  27   ASN A HD22 
68   N  N    . GLY A 28  ? 0.2191 0.2671 0.1495 0.0429  0.0399  -0.0348 28   GLY A N    
69   C  CA   . GLY A 28  ? 0.2438 0.2840 0.1594 0.0262  0.0559  -0.0521 28   GLY A CA   
70   C  C    . GLY A 28  ? 0.2760 0.2488 0.1748 0.0003  0.0430  -0.0654 28   GLY A C    
71   O  O    . GLY A 28  ? 0.3077 0.2331 0.3079 0.0021  0.0123  -0.0973 28   GLY A O    
72   H  H    . GLY A 28  ? 0.2285 0.2730 0.1542 0.0412  0.0346  -0.0266 28   GLY A H    
73   H  HA2  . GLY A 28  ? 0.2466 0.2736 0.1612 0.0237  0.0499  -0.0512 28   GLY A HA2  
74   H  HA3  . GLY A 28  ? 0.2449 0.2721 0.1568 0.0247  0.0506  -0.0507 28   GLY A HA3  
75   N  N    . GLU A 29  ? 0.2619 0.2485 0.0945 0.0037  0.0619  -0.0310 29   GLU A N    
76   C  CA   . GLU A 29  ? 0.2854 0.2472 0.0999 -0.0172 0.0481  -0.0378 29   GLU A CA   
77   C  C    . GLU A 29  ? 0.2583 0.2273 0.0966 -0.0180 0.0476  -0.0141 29   GLU A C    
78   O  O    . GLU A 29  ? 0.3502 0.2680 0.1342 -0.0572 0.1119  -0.0553 29   GLU A O    
79   C  CB   . GLU A 29  ? 0.3251 0.2842 0.0885 -0.0154 0.0539  -0.0218 29   GLU A CB   
80   C  CG   . GLU A 29  ? 0.4057 0.3745 0.1019 -0.0223 0.0657  -0.0530 29   GLU A CG   
81   C  CD   . GLU A 29  ? 0.5619 0.4411 0.1564 -0.0443 0.0620  -0.0829 29   GLU A CD   
82   O  OE1  . GLU A 29  ? 0.6567 0.5476 0.2651 -0.1101 0.1069  -0.0334 29   GLU A OE1  
83   O  OE2  . GLU A 29  ? 0.5771 0.6106 0.2828 0.0092  0.1356  -0.0680 29   GLU A OE2  
84   H  H    . GLU A 29  ? 0.2699 0.2514 0.1140 -0.0001 0.0548  -0.0388 29   GLU A H    
85   H  HA   . GLU A 29  ? 0.2816 0.2460 0.0978 -0.0130 0.0515  -0.0302 29   GLU A HA   
86   H  HB2  . GLU A 29  ? 0.3263 0.2882 0.0939 -0.0170 0.0545  -0.0312 29   GLU A HB2  
87   H  HB3  . GLU A 29  ? 0.3263 0.2881 0.0943 -0.0174 0.0548  -0.0313 29   GLU A HB3  
88   H  HG2  . GLU A 29  ? 0.4044 0.3556 0.1067 -0.0232 0.0621  -0.0489 29   GLU A HG2  
89   H  HG3  . GLU A 29  ? 0.4060 0.3586 0.1090 -0.0249 0.0630  -0.0504 29   GLU A HG3  
90   N  N    . LYS A 30  ? 0.2034 0.1853 0.0747 0.0163  0.0262  -0.0072 30   LYS A N    
91   C  CA   . LYS A 30  ? 0.1733 0.1591 0.0642 0.0018  0.0195  -0.0132 30   LYS A CA   
92   C  C    . LYS A 30  ? 0.1539 0.1564 0.0260 -0.0036 0.0175  -0.0087 30   LYS A C    
93   O  O    . LYS A 30  ? 0.1597 0.1745 0.0401 0.0102  0.0050  -0.0277 30   LYS A O    
94   C  CB   . LYS A 30  ? 0.1810 0.1636 0.0525 0.0103  0.0252  0.0037  30   LYS A CB   
95   C  CG   . LYS A 30  ? 0.2059 0.1703 0.0823 0.0137  0.0358  -0.0141 30   LYS A CG   
96   C  CD   . LYS A 30  ? 0.2060 0.1818 0.0836 0.0261  0.0397  0.0032  30   LYS A CD   
97   C  CE   . LYS A 30  ? 0.2146 0.1959 0.0759 0.0282  0.0531  -0.0175 30   LYS A CE   
98   N  NZ   . LYS A 30  ? 0.2279 0.2088 0.1077 0.0137  0.0443  -0.0071 30   LYS A NZ   
99   H  H    . LYS A 30  ? 0.2048 0.1866 0.0771 0.0068  0.0298  -0.0086 30   LYS A H    
100  H  HA   . LYS A 30  ? 0.1737 0.1629 0.0539 0.0040  0.0212  -0.0084 30   LYS A HA   
101  H  HB2  . LYS A 30  ? 0.1828 0.1636 0.0595 0.0088  0.0259  -0.0040 30   LYS A HB2  
102  H  HB3  . LYS A 30  ? 0.1831 0.1636 0.0557 0.0091  0.0273  -0.0043 30   LYS A HB3  
103  H  HG2  . LYS A 30  ? 0.1992 0.1714 0.0774 0.0157  0.0335  -0.0053 30   LYS A HG2  
104  H  HG3  . LYS A 30  ? 0.1995 0.1730 0.0755 0.0166  0.0334  -0.0068 30   LYS A HG3  
105  H  HD2  . LYS A 30  ? 0.2077 0.1819 0.0862 0.0233  0.0413  -0.0041 30   LYS A HD2  
106  H  HD3  . LYS A 30  ? 0.2069 0.1804 0.0817 0.0227  0.0418  -0.0046 30   LYS A HD3  
107  H  HE2  . LYS A 30  ? 0.2162 0.1962 0.0757 0.0253  0.0489  -0.0150 30   LYS A HE2  
108  H  HE3  . LYS A 30  ? 0.2155 0.1966 0.0829 0.0253  0.0478  -0.0119 30   LYS A HE3  
109  H  HZ1  . LYS A 30  ? 0.2239 0.2057 0.0991 0.0181  0.0469  -0.0101 30   LYS A HZ1  
110  H  HZ2  . LYS A 30  ? 0.2239 0.2058 0.1061 0.0179  0.0466  -0.0083 30   LYS A HZ2  
111  H  HZ3  . LYS A 30  ? 0.2251 0.2082 0.0990 0.0161  0.0468  -0.0096 30   LYS A HZ3  
112  N  N    . VAL A 31  ? 0.1366 0.1448 0.0161 -0.0051 0.0215  -0.0017 31   VAL A N    
113  C  CA   . VAL A 31  ? 0.1422 0.1220 0.0086 -0.0049 0.0162  0.0061  31   VAL A CA   
114  C  C    . VAL A 31  ? 0.1283 0.1196 0.0092 -0.0024 0.0185  -0.0029 31   VAL A C    
115  O  O    . VAL A 31  ? 0.1251 0.1299 0.0166 -0.0010 0.0153  0.0019  31   VAL A O    
116  C  CB   . VAL A 31  ? 0.1375 0.1323 0.0134 -0.0021 0.0171  -0.0046 31   VAL A CB   
117  C  CG1  . VAL A 31  ? 0.1456 0.1373 0.0222 -0.0009 0.0120  -0.0172 31   VAL A CG1  
118  C  CG2  . VAL A 31  ? 0.1612 0.1413 0.0111 -0.0064 0.0233  -0.0143 31   VAL A CG2  
119  H  H    . VAL A 31  ? 0.1411 0.1413 0.0158 -0.0047 0.0189  -0.0016 31   VAL A H    
120  H  HA   . VAL A 31  ? 0.1369 0.1269 0.0084 -0.0033 0.0165  0.0018  31   VAL A HA   
121  H  HB   . VAL A 31  ? 0.1435 0.1325 0.0112 -0.0028 0.0167  -0.0059 31   VAL A HB   
122  H  HG11 . VAL A 31  ? 0.1439 0.1360 0.0207 -0.0013 0.0138  -0.0139 31   VAL A HG11 
123  H  HG12 . VAL A 31  ? 0.1443 0.1367 0.0218 -0.0003 0.0122  -0.0149 31   VAL A HG12 
124  H  HG13 . VAL A 31  ? 0.1436 0.1357 0.0199 -0.0013 0.0134  -0.0139 31   VAL A HG13 
125  H  HG21 . VAL A 31  ? 0.1541 0.1383 0.0104 -0.0054 0.0216  -0.0118 31   VAL A HG21 
126  H  HG22 . VAL A 31  ? 0.1558 0.1401 0.0103 -0.0057 0.0219  -0.0112 31   VAL A HG22 
127  H  HG23 . VAL A 31  ? 0.1545 0.1389 0.0107 -0.0055 0.0226  -0.0120 31   VAL A HG23 
128  N  N    . ARG A 32  ? 0.1346 0.1221 0.0096 -0.0008 0.0205  0.0004  32   ARG A N    
129  C  CA   . ARG A 32  ? 0.1330 0.1181 0.0071 -0.0011 0.0104  0.0005  32   ARG A CA   
130  C  C    . ARG A 32  ? 0.1192 0.1254 0.0070 0.0022  0.0083  -0.0026 32   ARG A C    
131  O  O    . ARG A 32  ? 0.1403 0.1294 0.0068 0.0127  -0.0002 -0.0079 32   ARG A O    
132  C  CB   . ARG A 32  ? 0.1317 0.1299 0.0084 -0.0063 0.0038  -0.0010 32   ARG A CB   
133  C  CG   . ARG A 32  ? 0.1443 0.1353 0.0315 -0.0052 0.0105  -0.0095 32   ARG A CG   
134  C  CD   . ARG A 32  ? 0.1619 0.1528 0.0387 0.0001  0.0044  -0.0174 32   ARG A CD   
135  N  NE   . ARG A 32  ? 0.1854 0.1659 0.0694 0.0078  0.0086  -0.0240 32   ARG A NE   
136  C  CZ   . ARG A 32  ? 0.2457 0.2467 0.0504 0.0397  -0.0064 -0.0257 32   ARG A CZ   
137  N  NH1  . ARG A 32  ? 0.3460 0.3453 0.0416 0.0663  0.0197  -0.0284 32   ARG A NH1  
138  N  NH2  . ARG A 32  ? 0.2921 0.2564 0.1054 0.0575  0.0163  -0.0513 32   ARG A NH2  
139  H  H    . ARG A 32  ? 0.1328 0.1213 0.0089 -0.0015 0.0180  -0.0012 32   ARG A H    
140  H  HA   . ARG A 32  ? 0.1298 0.1220 0.0070 -0.0009 0.0094  0.0006  32   ARG A HA   
141  H  HB2  . ARG A 32  ? 0.1341 0.1278 0.0074 -0.0046 0.0063  -0.0017 32   ARG A HB2  
142  H  HB3  . ARG A 32  ? 0.1342 0.1279 0.0084 -0.0048 0.0069  -0.0022 32   ARG A HB3  
143  H  HG2  . ARG A 32  ? 0.1448 0.1373 0.0302 -0.0049 0.0094  -0.0098 32   ARG A HG2  
144  H  HG3  . ARG A 32  ? 0.1439 0.1370 0.0268 -0.0046 0.0082  -0.0089 32   ARG A HG3  
145  H  HD2  . ARG A 32  ? 0.1627 0.1524 0.0396 0.0010  0.0056  -0.0161 32   ARG A HD2  
146  H  HD3  . ARG A 32  ? 0.1621 0.1508 0.0423 0.0005  0.0063  -0.0167 32   ARG A HD3  
147  H  HE   . ARG A 32  ? 0.1880 0.1755 0.0629 0.0110  0.0066  -0.0256 32   ARG A HE   
148  H  HH11 . ARG A 32  ? 0.2961 0.3146 0.0472 0.0555  0.0108  -0.0268 32   ARG A HH11 
149  H  HH12 . ARG A 32  ? 0.3016 0.3086 0.0533 0.0590  0.0138  -0.0211 32   ARG A HH12 
150  H  HH21 . ARG A 32  ? 0.2770 0.2547 0.0918 0.0510  0.0068  -0.0431 32   ARG A HH21 
151  H  HH22 . ARG A 32  ? 0.2724 0.2542 0.0982 0.0486  0.0107  -0.0492 32   ARG A HH22 
152  N  N    . GLY A 33  ? 0.1273 0.1249 0.0068 0.0054  0.0060  -0.0041 33   GLY A N    
153  C  CA   . GLY A 33  ? 0.1305 0.1310 0.0065 0.0072  0.0052  0.0001  33   GLY A CA   
154  C  C    . GLY A 33  ? 0.1354 0.1194 0.0064 -0.0001 0.0030  -0.0006 33   GLY A C    
155  O  O    . GLY A 33  ? 0.1373 0.1212 0.0064 -0.0026 0.0024  0.0014  33   GLY A O    
156  H  H    . GLY A 33  ? 0.1262 0.1264 0.0068 0.0048  0.0068  -0.0031 33   GLY A H    
157  H  HA2  . GLY A 33  ? 0.1311 0.1269 0.0065 0.0051  0.0052  -0.0011 33   GLY A HA2  
158  H  HA3  . GLY A 33  ? 0.1316 0.1276 0.0065 0.0059  0.0050  -0.0010 33   GLY A HA3  
159  N  N    . VAL A 34  ? 0.1230 0.1267 0.0065 0.0001  0.0048  0.0003  34   VAL A N    
160  C  CA   . VAL A 34  ? 0.1164 0.1230 0.0070 -0.0009 0.0076  0.0048  34   VAL A CA   
161  C  C    . VAL A 34  ? 0.1100 0.1290 0.0067 -0.0082 0.0061  -0.0024 34   VAL A C    
162  O  O    . VAL A 34  ? 0.1211 0.1294 0.0064 -0.0151 0.0030  -0.0012 34   VAL A O    
163  C  CB   . VAL A 34  ? 0.1195 0.1300 0.0069 -0.0033 0.0075  0.0038  34   VAL A CB   
164  C  CG1  . VAL A 34  ? 0.1197 0.1332 0.0078 0.0040  0.0120  0.0064  34   VAL A CG1  
165  C  CG2  . VAL A 34  ? 0.1159 0.1256 0.0078 -0.0090 0.0109  0.0059  34   VAL A CG2  
166  H  H    . VAL A 34  ? 0.1243 0.1242 0.0065 -0.0001 0.0051  0.0011  34   VAL A H    
167  H  HA   . VAL A 34  ? 0.1163 0.1253 0.0067 -0.0018 0.0056  0.0033  34   VAL A HA   
168  H  HB   . VAL A 34  ? 0.1182 0.1285 0.0072 -0.0026 0.0089  0.0049  34   VAL A HB   
169  H  HG11 . VAL A 34  ? 0.1199 0.1326 0.0075 0.0018  0.0103  0.0057  34   VAL A HG11 
170  H  HG12 . VAL A 34  ? 0.1203 0.1323 0.0074 0.0018  0.0098  0.0057  34   VAL A HG12 
171  H  HG13 . VAL A 34  ? 0.1205 0.1324 0.0075 0.0021  0.0104  0.0056  34   VAL A HG13 
172  H  HG21 . VAL A 34  ? 0.1162 0.1267 0.0075 -0.0078 0.0098  0.0052  34   VAL A HG21 
173  H  HG22 . VAL A 34  ? 0.1170 0.1270 0.0075 -0.0077 0.0101  0.0050  34   VAL A HG22 
174  H  HG23 . VAL A 34  ? 0.1166 0.1267 0.0074 -0.0075 0.0096  0.0051  34   VAL A HG23 
175  N  N    . ASN A 35  ? 0.1070 0.1239 0.0065 -0.0043 -0.0043 -0.0022 35   ASN A N    
176  C  CA   . ASN A 35  ? 0.1139 0.1279 0.0064 -0.0065 -0.0036 0.0024  35   ASN A CA   
177  C  C    . ASN A 35  ? 0.1041 0.1246 0.0063 -0.0077 -0.0018 -0.0010 35   ASN A C    
178  O  O    . ASN A 35  ? 0.1020 0.1249 0.0072 -0.0096 -0.0089 0.0034  35   ASN A O    
179  C  CB   . ASN A 35  ? 0.1212 0.1272 0.0064 -0.0014 -0.0013 -0.0026 35   ASN A CB   
180  C  CG   . ASN A 35  ? 0.1223 0.1350 0.0066 -0.0040 -0.0041 -0.0045 35   ASN A CG   
181  O  OD1  . ASN A 35  ? 0.1281 0.1355 0.0066 -0.0070 0.0040  0.0040  35   ASN A OD1  
182  N  ND2  . ASN A 35  ? 0.0991 0.1406 0.0064 -0.0017 -0.0012 0.0028  35   ASN A ND2  
183  H  H    . ASN A 35  ? 0.1095 0.1262 0.0063 -0.0056 -0.0015 -0.0013 35   ASN A H    
184  H  HA   . ASN A 35  ? 0.1116 0.1260 0.0064 -0.0057 -0.0026 0.0001  35   ASN A HA   
185  H  HB2  . ASN A 35  ? 0.1194 0.1289 0.0064 -0.0031 -0.0024 -0.0019 35   ASN A HB2  
186  H  HB3  . ASN A 35  ? 0.1195 0.1279 0.0064 -0.0028 -0.0023 -0.0023 35   ASN A HB3  
187  H  HD21 . ASN A 35  ? 0.1059 0.1388 0.0063 -0.0022 -0.0021 0.0005  35   ASN A HD21 
188  H  HD22 . ASN A 35  ? 0.1034 0.1389 0.0064 -0.0022 -0.0028 0.0005  35   ASN A HD22 
189  N  N    . LEU A 36  ? 0.1008 0.1223 0.0065 -0.0013 0.0021  -0.0041 36   LEU A N    
190  C  CA   . LEU A 36  ? 0.1024 0.1252 0.0066 0.0011  0.0035  0.0050  36   LEU A CA   
191  C  C    . LEU A 36  ? 0.0970 0.1223 0.0067 0.0079  0.0037  0.0062  36   LEU A C    
192  O  O    . LEU A 36  ? 0.1127 0.1201 0.0079 0.0054  0.0026  0.0134  36   LEU A O    
193  C  CB   . LEU A 36  ? 0.1147 0.1378 0.0063 -0.0026 0.0006  -0.0007 36   LEU A CB   
194  C  CG   . LEU A 36  ? 0.1312 0.1571 0.0066 0.0009  0.0009  -0.0068 36   LEU A CG   
195  C  CD1  . LEU A 36  ? 0.1368 0.1624 0.0067 0.0036  0.0009  -0.0082 36   LEU A CD1  
196  C  CD2  . LEU A 36  ? 0.1444 0.1592 0.0064 -0.0049 -0.0039 -0.0012 36   LEU A CD2  
197  H  H    . LEU A 36  ? 0.1026 0.1237 0.0063 -0.0021 0.0011  -0.0015 36   LEU A H    
198  H  HA   . LEU A 36  ? 0.1032 0.1262 0.0064 0.0007  0.0027  0.0023  36   LEU A HA   
199  H  HB2  . LEU A 36  ? 0.1146 0.1383 0.0063 -0.0012 0.0015  -0.0005 36   LEU A HB2  
200  H  HB3  . LEU A 36  ? 0.1150 0.1385 0.0063 -0.0012 0.0013  -0.0004 36   LEU A HB3  
201  H  HG   . LEU A 36  ? 0.1307 0.1540 0.0064 -0.0002 0.0001  -0.0048 36   LEU A HG   
202  H  HD11 . LEU A 36  ? 0.1355 0.1608 0.0067 0.0028  0.0009  -0.0077 36   LEU A HD11 
203  H  HD12 . LEU A 36  ? 0.1354 0.1609 0.0067 0.0028  0.0009  -0.0078 36   LEU A HD12 
204  H  HD13 . LEU A 36  ? 0.1357 0.1609 0.0067 0.0032  0.0007  -0.0078 36   LEU A HD13 
205  H  HD21 . LEU A 36  ? 0.1397 0.1579 0.0064 -0.0032 -0.0022 -0.0024 36   LEU A HD21 
206  H  HD22 . LEU A 36  ? 0.1410 0.1596 0.0064 -0.0041 -0.0026 -0.0023 36   LEU A HD22 
207  H  HD23 . LEU A 36  ? 0.1405 0.1587 0.0064 -0.0032 -0.0021 -0.0025 36   LEU A HD23 
208  N  N    . GLY A 37  ? 0.1056 0.1170 0.0064 0.0048  0.0030  -0.0015 37   GLY A N    
209  C  CA   . GLY A 37  ? 0.1013 0.1122 0.0064 -0.0001 0.0009  -0.0034 37   GLY A CA   
210  C  C    . GLY A 37  ? 0.1032 0.1192 0.0064 -0.0042 0.0031  -0.0021 37   GLY A C    
211  O  O    . GLY A 37  ? 0.1188 0.1411 0.0065 -0.0070 0.0019  -0.0055 37   GLY A O    
212  H  H    . GLY A 37  ? 0.1026 0.1170 0.0064 0.0043  0.0026  -0.0002 37   GLY A H    
213  H  HA2  . GLY A 37  ? 0.1023 0.1145 0.0064 -0.0003 0.0019  -0.0026 37   GLY A HA2  
214  H  HA3  . GLY A 37  ? 0.1027 0.1151 0.0064 0.0000  0.0021  -0.0029 37   GLY A HA3  
215  N  N    . GLY A 38  ? 0.1041 0.1140 0.0063 -0.0036 -0.0015 -0.0002 38   GLY A N    
216  C  CA   . GLY A 38  ? 0.1026 0.1232 0.0073 -0.0024 -0.0063 -0.0084 38   GLY A CA   
217  C  C    . GLY A 38  ? 0.1072 0.1293 0.0064 -0.0061 -0.0023 -0.0029 38   GLY A C    
218  O  O    . GLY A 38  ? 0.1122 0.1521 0.0064 -0.0003 0.0008  0.0031  38   GLY A O    
219  H  H    . GLY A 38  ? 0.1035 0.1172 0.0064 -0.0034 -0.0013 -0.0024 38   GLY A H    
220  H  HA2  . GLY A 38  ? 0.1041 0.1221 0.0068 -0.0035 -0.0044 -0.0056 38   GLY A HA2  
221  H  HA3  . GLY A 38  ? 0.1047 0.1234 0.0068 -0.0027 -0.0046 -0.0058 38   GLY A HA3  
222  N  N    . TRP A 39  ? 0.1041 0.1265 0.0063 -0.0012 0.0021  0.0008  39   TRP A N    
223  C  CA   . TRP A 39  ? 0.1085 0.1341 0.0074 -0.0007 -0.0047 -0.0105 39   TRP A CA   
224  C  C    . TRP A 39  ? 0.1096 0.1272 0.0063 0.0050  -0.0016 -0.0004 39   TRP A C    
225  O  O    . TRP A 39  ? 0.1318 0.1311 0.0065 0.0085  0.0056  -0.0003 39   TRP A O    
226  C  CB   . TRP A 39  ? 0.1156 0.1254 0.0072 0.0010  -0.0075 -0.0068 39   TRP A CB   
227  C  CG   . TRP A 39  ? 0.1179 0.1287 0.0068 -0.0057 -0.0078 -0.0008 39   TRP A CG   
228  C  CD1  . TRP A 39  ? 0.1212 0.1302 0.0072 -0.0034 -0.0103 0.0012  39   TRP A CD1  
229  C  CD2  . TRP A 39  ? 0.1184 0.1178 0.0063 0.0009  -0.0015 0.0000  39   TRP A CD2  
230  N  NE1  . TRP A 39  ? 0.1115 0.1330 0.0069 0.0067  -0.0066 0.0051  39   TRP A NE1  
231  C  CE2  . TRP A 39  ? 0.1104 0.1254 0.0064 -0.0003 -0.0029 -0.0011 39   TRP A CE2  
232  C  CE3  . TRP A 39  ? 0.1250 0.1330 0.0063 0.0035  -0.0020 0.0019  39   TRP A CE3  
233  C  CZ2  . TRP A 39  ? 0.1126 0.1313 0.0069 0.0012  -0.0072 0.0044  39   TRP A CZ2  
234  C  CZ3  . TRP A 39  ? 0.1254 0.1423 0.0063 0.0026  0.0007  0.0010  39   TRP A CZ3  
235  C  CH2  . TRP A 39  ? 0.1259 0.1380 0.0063 0.0007  -0.0013 -0.0014 39   TRP A CH2  
236  H  H    . TRP A 39  ? 0.1048 0.1285 0.0063 -0.0018 -0.0002 -0.0027 39   TRP A H    
237  H  HA   . TRP A 39  ? 0.1094 0.1299 0.0067 0.0004  -0.0034 -0.0056 39   TRP A HA   
238  H  HB2  . TRP A 39  ? 0.1147 0.1275 0.0071 -0.0010 -0.0069 -0.0062 39   TRP A HB2  
239  H  HB3  . TRP A 39  ? 0.1152 0.1280 0.0070 -0.0008 -0.0069 -0.0062 39   TRP A HB3  
240  H  HD1  . TRP A 39  ? 0.1189 0.1304 0.0071 -0.0015 -0.0097 0.0014  39   TRP A HD1  
241  H  HE1  . TRP A 39  ? 0.1120 0.1302 0.0068 0.0034  -0.0068 0.0027  39   TRP A HE1  
242  H  HE3  . TRP A 39  ? 0.1232 0.1310 0.0063 0.0026  -0.0014 0.0011  39   TRP A HE3  
243  H  HZ2  . TRP A 39  ? 0.1134 0.1308 0.0066 0.0016  -0.0056 0.0022  39   TRP A HZ2  
244  H  HZ3  . TRP A 39  ? 0.1246 0.1386 0.0063 0.0025  -0.0002 0.0005  39   TRP A HZ3  
245  H  HH2  . TRP A 39  ? 0.1224 0.1370 0.0063 0.0012  -0.0023 0.0005  39   TRP A HH2  
246  N  N    . LEU A 40  ? 0.1174 0.1281 0.0065 -0.0004 0.0021  -0.0051 40   LEU A N    
247  C  CA   . LEU A 40  ? 0.1236 0.1288 0.0064 -0.0036 0.0035  0.0004  40   LEU A CA   
248  C  C    . LEU A 40  ? 0.1170 0.1223 0.0063 0.0025  0.0004  -0.0020 40   LEU A C    
249  O  O    . LEU A 40  ? 0.1257 0.1290 0.0063 -0.0032 0.0007  0.0002  40   LEU A O    
250  C  CB   . LEU A 40  ? 0.1405 0.1237 0.0066 -0.0060 0.0050  0.0032  40   LEU A CB   
251  C  CG   . LEU A 40  ? 0.1521 0.1385 0.0063 -0.0126 0.0019  -0.0013 40   LEU A CG   
252  C  CD1  . LEU A 40  ? 0.1568 0.1310 0.0085 -0.0137 0.0160  0.0062  40   LEU A CD1  
253  C  CD2  . LEU A 40  ? 0.1600 0.1386 0.0073 -0.0178 0.0014  0.0111  40   LEU A CD2  
254  H  H    . LEU A 40  ? 0.1168 0.1279 0.0064 0.0002  0.0012  -0.0027 40   LEU A H    
255  H  HA   . LEU A 40  ? 0.1245 0.1268 0.0064 -0.0024 0.0029  -0.0004 40   LEU A HA   
256  H  HB2  . LEU A 40  ? 0.1387 0.1277 0.0064 -0.0068 0.0040  0.0016  40   LEU A HB2  
257  H  HB3  . LEU A 40  ? 0.1387 0.1262 0.0064 -0.0071 0.0041  0.0018  40   LEU A HB3  
258  H  HG   . LEU A 40  ? 0.1513 0.1362 0.0065 -0.0120 0.0047  0.0029  40   LEU A HG   
259  H  HD11 . LEU A 40  ? 0.1561 0.1350 0.0078 -0.0123 0.0131  0.0061  40   LEU A HD11 
260  H  HD12 . LEU A 40  ? 0.1556 0.1327 0.0075 -0.0130 0.0118  0.0044  40   LEU A HD12 
261  H  HD13 . LEU A 40  ? 0.1563 0.1336 0.0075 -0.0133 0.0119  0.0042  40   LEU A HD13 
262  H  HD21 . LEU A 40  ? 0.1561 0.1380 0.0069 -0.0167 0.0027  0.0080  40   LEU A HD21 
263  H  HD22 . LEU A 40  ? 0.1572 0.1385 0.0068 -0.0164 0.0019  0.0077  40   LEU A HD22 
264  H  HD23 . LEU A 40  ? 0.1573 0.1384 0.0068 -0.0163 0.0021  0.0078  40   LEU A HD23 
265  N  N    . VAL A 41  ? 0.1192 0.1190 0.0065 0.0028  -0.0017 -0.0049 41   VAL A N    
266  C  CA   . VAL A 41  ? 0.1175 0.1220 0.0075 -0.0011 -0.0056 -0.0103 41   VAL A CA   
267  C  C    . VAL A 41  ? 0.1199 0.1212 0.0074 0.0005  -0.0057 -0.0095 41   VAL A C    
268  O  O    . VAL A 41  ? 0.1229 0.1219 0.0067 0.0003  0.0059  -0.0034 41   VAL A O    
269  C  CB   . VAL A 41  ? 0.1155 0.1279 0.0087 -0.0041 -0.0119 -0.0105 41   VAL A CB   
270  C  CG1  . VAL A 41  ? 0.1174 0.1425 0.0092 -0.0121 -0.0177 -0.0005 41   VAL A CG1  
271  C  CG2  . VAL A 41  ? 0.1056 0.1250 0.0268 0.0004  -0.0107 -0.0014 41   VAL A CG2  
272  H  H    . VAL A 41  ? 0.1183 0.1200 0.0066 0.0018  -0.0019 -0.0055 41   VAL A H    
273  H  HA   . VAL A 41  ? 0.1181 0.1221 0.0073 -0.0004 -0.0056 -0.0089 41   VAL A HA   
274  H  HB   . VAL A 41  ? 0.1146 0.1281 0.0091 -0.0040 -0.0115 -0.0073 41   VAL A HB   
275  H  HG11 . VAL A 41  ? 0.1172 0.1400 0.0092 -0.0104 -0.0161 -0.0029 41   VAL A HG11 
276  H  HG12 . VAL A 41  ? 0.1169 0.1381 0.0088 -0.0098 -0.0158 -0.0033 41   VAL A HG12 
277  H  HG13 . VAL A 41  ? 0.1171 0.1383 0.0090 -0.0097 -0.0157 -0.0034 41   VAL A HG13 
278  H  HG21 . VAL A 41  ? 0.1072 0.1260 0.0221 -0.0005 -0.0110 -0.0037 41   VAL A HG21 
279  H  HG22 . VAL A 41  ? 0.1088 0.1263 0.0259 -0.0003 -0.0097 -0.0025 41   VAL A HG22 
280  H  HG23 . VAL A 41  ? 0.1084 0.1257 0.0221 -0.0006 -0.0108 -0.0037 41   VAL A HG23 
281  N  N    . LEU A 42  ? 0.1236 0.1174 0.0065 0.0008  0.0017  -0.0045 42   LEU A N    
282  C  CA   . LEU A 42  ? 0.1274 0.1245 0.0065 -0.0069 -0.0005 0.0049  42   LEU A CA   
283  C  C    . LEU A 42  ? 0.1343 0.1296 0.0069 -0.0100 -0.0062 -0.0055 42   LEU A C    
284  O  O    . LEU A 42  ? 0.1304 0.1353 0.0065 -0.0152 -0.0020 -0.0044 42   LEU A O    
285  C  CB   . LEU A 42  ? 0.1363 0.1307 0.0068 -0.0059 0.0058  0.0056  42   LEU A CB   
286  C  CG   . LEU A 42  ? 0.1406 0.1459 0.0072 0.0014  0.0034  0.0111  42   LEU A CG   
287  C  CD1  . LEU A 42  ? 0.1411 0.1580 0.0078 0.0007  -0.0059 0.0138  42   LEU A CD1  
288  C  CD2  . LEU A 42  ? 0.1425 0.1624 0.0120 -0.0011 0.0057  0.0293  42   LEU A CD2  
289  H  H    . LEU A 42  ? 0.1237 0.1190 0.0064 -0.0009 -0.0006 -0.0036 42   LEU A H    
290  H  HA   . LEU A 42  ? 0.1293 0.1261 0.0063 -0.0052 0.0001  0.0016  42   LEU A HA   
291  H  HB2  . LEU A 42  ? 0.1346 0.1312 0.0067 -0.0048 0.0038  0.0064  42   LEU A HB2  
292  H  HB3  . LEU A 42  ? 0.1344 0.1317 0.0069 -0.0050 0.0043  0.0072  42   LEU A HB3  
293  H  HG   . LEU A 42  ? 0.1400 0.1464 0.0076 -0.0007 0.0025  0.0131  42   LEU A HG   
294  H  HD11 . LEU A 42  ? 0.1399 0.1545 0.0076 0.0010  -0.0043 0.0131  42   LEU A HD11 
295  H  HD12 . LEU A 42  ? 0.1408 0.1554 0.0076 0.0010  -0.0034 0.0135  42   LEU A HD12 
296  H  HD13 . LEU A 42  ? 0.1414 0.1540 0.0075 0.0006  -0.0038 0.0130  42   LEU A HD13 
297  H  HD21 . LEU A 42  ? 0.1418 0.1568 0.0103 -0.0004 0.0053  0.0239  42   LEU A HD21 
298  H  HD22 . LEU A 42  ? 0.1420 0.1595 0.0107 0.0000  0.0055  0.0252  42   LEU A HD22 
299  H  HD23 . LEU A 42  ? 0.1425 0.1572 0.0103 -0.0004 0.0058  0.0237  42   LEU A HD23 
300  N  N    . GLU A 43  ? 0.1268 0.1354 0.0065 -0.0031 -0.0054 0.0009  43   GLU A N    
301  C  CA   . GLU A 43  ? 0.1255 0.1379 0.0074 -0.0058 -0.0056 0.0108  43   GLU A CA   
302  C  C    . GLU A 43  ? 0.1209 0.1474 0.0064 0.0012  -0.0019 0.0029  43   GLU A C    
303  O  O    . GLU A 43  ? 0.1177 0.1319 0.0080 -0.0063 0.0037  0.0140  43   GLU A O    
304  C  CB   . GLU A 43  ? 0.1307 0.1400 0.0071 -0.0064 0.0016  0.0099  43   GLU A CB   
305  C  CG   . GLU A 43  ? 0.1284 0.1453 0.0077 -0.0007 -0.0002 0.0139  43   GLU A CG   
306  C  CD   . GLU A 43  ? 0.1269 0.1491 0.0078 -0.0052 0.0028  0.0140  43   GLU A CD   
307  O  OE1  . GLU A 43  ? 0.1304 0.1398 0.0078 0.0027  0.0035  0.0138  43   GLU A OE1  
308  O  OE2  . GLU A 43  ? 0.1224 0.1601 0.0069 0.0083  -0.0005 0.0098  43   GLU A OE2  
309  H  H    . GLU A 43  ? 0.1282 0.1344 0.0066 -0.0054 -0.0056 0.0016  43   GLU A H    
310  H  HA   . GLU A 43  ? 0.1260 0.1396 0.0068 -0.0041 -0.0034 0.0071  43   GLU A HA   
311  H  HB2  . GLU A 43  ? 0.1288 0.1405 0.0072 -0.0051 -0.0004 0.0108  43   GLU A HB2  
312  H  HB3  . GLU A 43  ? 0.1291 0.1408 0.0071 -0.0051 0.0000  0.0106  43   GLU A HB3  
313  H  HG2  . GLU A 43  ? 0.1287 0.1454 0.0076 -0.0027 0.0007  0.0133  43   GLU A HG2  
314  H  HG3  . GLU A 43  ? 0.1281 0.1447 0.0076 -0.0026 -0.0002 0.0134  43   GLU A HG3  
315  N  N    . PRO A 44  ? 0.1212 0.1469 0.0064 -0.0006 -0.0041 0.0005  44   PRO A N    
316  C  CA   . PRO A 44  ? 0.1164 0.1453 0.0065 -0.0036 -0.0042 -0.0005 44   PRO A CA   
317  C  C    . PRO A 44  ? 0.1259 0.1495 0.0063 -0.0010 0.0008  -0.0027 44   PRO A C    
318  O  O    . PRO A 44  ? 0.1292 0.1527 0.0064 -0.0018 0.0024  -0.0018 44   PRO A O    
319  C  CB   . PRO A 44  ? 0.1322 0.1380 0.0075 -0.0040 -0.0114 -0.0044 44   PRO A CB   
320  C  CG   . PRO A 44  ? 0.1394 0.1449 0.0073 -0.0069 -0.0068 -0.0092 44   PRO A CG   
321  C  CD   . PRO A 44  ? 0.1331 0.1316 0.0064 -0.0060 0.0006  -0.0045 44   PRO A CD   
322  H  HA   . PRO A 44  ? 0.1211 0.1448 0.0065 -0.0020 -0.0045 -0.0012 44   PRO A HA   
323  H  HB2  . PRO A 44  ? 0.1301 0.1407 0.0071 -0.0041 -0.0091 -0.0041 44   PRO A HB2  
324  H  HB3  . PRO A 44  ? 0.1316 0.1412 0.0072 -0.0048 -0.0097 -0.0042 44   PRO A HB3  
325  H  HG2  . PRO A 44  ? 0.1357 0.1404 0.0071 -0.0063 -0.0069 -0.0073 44   PRO A HG2  
326  H  HG3  . PRO A 44  ? 0.1368 0.1414 0.0070 -0.0070 -0.0062 -0.0073 44   PRO A HG3  
327  H  HD2  . PRO A 44  ? 0.1323 0.1382 0.0065 -0.0053 -0.0020 -0.0041 44   PRO A HD2  
328  H  HD3  . PRO A 44  ? 0.1317 0.1373 0.0064 -0.0051 -0.0021 -0.0034 44   PRO A HD3  
329  N  N    . TRP A 45  ? 0.1212 0.1434 0.0065 -0.0073 0.0041  0.0021  45   TRP A N    
330  C  CA   . TRP A 45  ? 0.1143 0.1400 0.0064 -0.0105 0.0033  -0.0014 45   TRP A CA   
331  C  C    . TRP A 45  ? 0.1173 0.1364 0.0066 -0.0119 -0.0046 0.0045  45   TRP A C    
332  O  O    . TRP A 45  ? 0.1039 0.1461 0.0070 -0.0160 -0.0081 0.0031  45   TRP A O    
333  C  CB   . TRP A 45  ? 0.1063 0.1391 0.0063 -0.0141 0.0020  0.0015  45   TRP A CB   
334  C  CG   . TRP A 45  ? 0.1009 0.1393 0.0067 0.0000  0.0032  0.0063  45   TRP A CG   
335  C  CD1  . TRP A 45  ? 0.1093 0.1465 0.0071 -0.0037 0.0012  0.0105  45   TRP A CD1  
336  C  CD2  . TRP A 45  ? 0.1091 0.1465 0.0073 0.0046  -0.0051 0.0098  45   TRP A CD2  
337  N  NE1  . TRP A 45  ? 0.1116 0.1515 0.0088 -0.0037 0.0002  0.0189  45   TRP A NE1  
338  C  CE2  . TRP A 45  ? 0.1097 0.1484 0.0072 0.0067  -0.0017 0.0108  45   TRP A CE2  
339  C  CE3  . TRP A 45  ? 0.1268 0.1435 0.0070 0.0014  0.0036  0.0091  45   TRP A CE3  
340  C  CZ2  . TRP A 45  ? 0.1254 0.1550 0.0075 0.0089  0.0058  0.0122  45   TRP A CZ2  
341  C  CZ3  . TRP A 45  ? 0.1248 0.1383 0.0072 0.0013  -0.0103 0.0026  45   TRP A CZ3  
342  C  CH2  . TRP A 45  ? 0.1352 0.1443 0.0063 0.0136  0.0005  -0.0002 45   TRP A CH2  
343  H  H    . TRP A 45  ? 0.1205 0.1440 0.0064 -0.0066 0.0031  0.0001  45   TRP A H    
344  H  HA   . TRP A 45  ? 0.1142 0.1399 0.0063 -0.0108 0.0021  0.0009  45   TRP A HA   
345  H  HB2  . TRP A 45  ? 0.1068 0.1384 0.0064 -0.0104 0.0024  0.0020  45   TRP A HB2  
346  H  HB3  . TRP A 45  ? 0.1063 0.1385 0.0063 -0.0107 0.0015  0.0008  45   TRP A HB3  
347  H  HD1  . TRP A 45  ? 0.1080 0.1458 0.0072 -0.0026 0.0014  0.0113  45   TRP A HD1  
348  H  HE1  . TRP A 45  ? 0.1099 0.1492 0.0078 -0.0013 0.0003  0.0149  45   TRP A HE1  
349  H  HE3  . TRP A 45  ? 0.1207 0.1430 0.0068 0.0019  -0.0011 0.0079  45   TRP A HE3  
350  H  HZ2  . TRP A 45  ? 0.1216 0.1502 0.0069 0.0087  0.0037  0.0089  45   TRP A HZ2  
351  H  HZ3  . TRP A 45  ? 0.1260 0.1393 0.0065 0.0028  -0.0043 0.0031  45   TRP A HZ3  
352  H  HH2  . TRP A 45  ? 0.1293 0.1412 0.0063 0.0103  0.0006  0.0001  45   TRP A HH2  
353  N  N    . ILE A 46  ? 0.1127 0.1361 0.0063 -0.0099 0.0021  -0.0015 46   ILE A N    
354  C  CA   . ILE A 46  ? 0.1077 0.1369 0.0066 -0.0113 0.0002  -0.0060 46   ILE A CA   
355  C  C    . ILE A 46  ? 0.1110 0.1327 0.0066 -0.0082 0.0052  -0.0019 46   ILE A C    
356  O  O    . ILE A 46  ? 0.1124 0.1447 0.0064 -0.0072 0.0009  -0.0031 46   ILE A O    
357  C  CB   . ILE A 46  ? 0.1067 0.1308 0.0063 -0.0115 -0.0001 -0.0011 46   ILE A CB   
358  C  CG1  . ILE A 46  ? 0.1061 0.1428 0.0065 -0.0130 -0.0047 -0.0007 46   ILE A CG1  
359  C  CG2  . ILE A 46  ? 0.1112 0.1362 0.0069 -0.0056 -0.0074 -0.0028 46   ILE A CG2  
360  C  CD1  . ILE A 46  ? 0.1163 0.1577 0.0065 -0.0073 -0.0028 0.0052  46   ILE A CD1  
361  H  H    . ILE A 46  ? 0.1127 0.1366 0.0063 -0.0105 0.0002  -0.0011 46   ILE A H    
362  H  HA   . ILE A 46  ? 0.1090 0.1356 0.0064 -0.0105 0.0013  -0.0033 46   ILE A HA   
363  H  HB   . ILE A 46  ? 0.1075 0.1336 0.0064 -0.0108 -0.0022 -0.0022 46   ILE A HB   
364  H  HG12 . ILE A 46  ? 0.1080 0.1426 0.0064 -0.0116 -0.0035 0.0001  46   ILE A HG12 
365  H  HG13 . ILE A 46  ? 0.1075 0.1422 0.0065 -0.0120 -0.0045 -0.0008 46   ILE A HG13 
366  H  HG21 . ILE A 46  ? 0.1101 0.1352 0.0066 -0.0071 -0.0055 -0.0024 46   ILE A HG21 
367  H  HG22 . ILE A 46  ? 0.1100 0.1347 0.0066 -0.0071 -0.0055 -0.0024 46   ILE A HG22 
368  H  HG23 . ILE A 46  ? 0.1112 0.1351 0.0068 -0.0067 -0.0067 -0.0029 46   ILE A HG23 
369  H  HD11 . ILE A 46  ? 0.1131 0.1533 0.0065 -0.0088 -0.0030 0.0042  46   ILE A HD11 
370  H  HD12 . ILE A 46  ? 0.1130 0.1542 0.0065 -0.0091 -0.0032 0.0034  46   ILE A HD12 
371  H  HD13 . ILE A 46  ? 0.1137 0.1530 0.0064 -0.0092 -0.0030 0.0034  46   ILE A HD13 
372  N  N    . THR A 47  ? 0.1177 0.1329 0.0068 -0.0040 0.0076  -0.0011 47   THR A N    
373  C  CA   . THR A 47  ? 0.1095 0.1349 0.0065 -0.0043 -0.0024 -0.0037 47   THR A CA   
374  C  C    . THR A 47  ? 0.1136 0.1341 0.0069 -0.0008 -0.0010 -0.0089 47   THR A C    
375  O  O    . THR A 47  ? 0.1244 0.1379 0.0091 0.0099  0.0129  -0.0086 47   THR A O    
376  C  CB   . THR A 47  ? 0.1179 0.1438 0.0066 0.0008  -0.0047 -0.0034 47   THR A CB   
377  O  OG1  . THR A 47  ? 0.1236 0.1356 0.0158 -0.0006 0.0014  0.0095  47   THR A OG1  
378  C  CG2  . THR A 47  ? 0.1281 0.1511 0.0070 -0.0013 -0.0086 0.0042  47   THR A CG2  
379  H  H    . THR A 47  ? 0.1153 0.1343 0.0066 -0.0040 0.0052  -0.0014 47   THR A H    
380  H  HA   . THR A 47  ? 0.1127 0.1354 0.0064 -0.0035 -0.0007 -0.0041 47   THR A HA   
381  H  HB   . THR A 47  ? 0.1182 0.1416 0.0064 -0.0005 -0.0039 0.0000  47   THR A HB   
382  H  HG1  . THR A 47  ? 0.0953 0.0953 0.0953 0.0000  0.0000  0.0000  47   THR A HG1  
383  H  HG21 . THR A 47  ? 0.1252 0.1475 0.0069 -0.0003 -0.0077 0.0032  47   THR A HG21 
384  H  HG22 . THR A 47  ? 0.1263 0.1487 0.0068 -0.0009 -0.0076 0.0023  47   THR A HG22 
385  H  HG23 . THR A 47  ? 0.1255 0.1490 0.0068 -0.0002 -0.0075 0.0023  47   THR A HG23 
386  N  N    . PRO A 48  ? 0.1177 0.1406 0.0076 -0.0008 0.0092  -0.0089 48   PRO A N    
387  C  CA   . PRO A 48  ? 0.1257 0.1510 0.0078 -0.0044 0.0083  -0.0121 48   PRO A CA   
388  C  C    . PRO A 48  ? 0.1194 0.1578 0.0090 -0.0019 0.0164  -0.0074 48   PRO A C    
389  O  O    . PRO A 48  ? 0.1400 0.1711 0.0204 -0.0017 0.0127  -0.0197 48   PRO A O    
390  C  CB   . PRO A 48  ? 0.1464 0.1637 0.0133 -0.0039 0.0058  0.0003  48   PRO A CB   
391  C  CG   . PRO A 48  ? 0.1678 0.1602 0.0219 -0.0107 0.0313  0.0177  48   PRO A CG   
392  C  CD   . PRO A 48  ? 0.1214 0.1477 0.0070 -0.0036 0.0091  0.0011  48   PRO A CD   
393  H  HA   . PRO A 48  ? 0.1248 0.1513 0.0076 -0.0038 0.0093  -0.0090 48   PRO A HA   
394  H  HB2  . PRO A 48  ? 0.1468 0.1594 0.0102 -0.0053 0.0104  0.0005  48   PRO A HB2  
395  H  HB3  . PRO A 48  ? 0.1433 0.1594 0.0088 -0.0054 0.0107  0.0005  48   PRO A HB3  
396  H  HG2  . PRO A 48  ? 0.1524 0.1592 0.0133 -0.0051 0.0204  0.0091  48   PRO A HG2  
397  H  HG3  . PRO A 48  ? 0.1517 0.1601 0.0143 -0.0095 0.0218  0.0075  48   PRO A HG3  
398  H  HD2  . PRO A 48  ? 0.1245 0.1466 0.0074 -0.0047 0.0115  0.0003  48   PRO A HD2  
399  H  HD3  . PRO A 48  ? 0.1242 0.1469 0.0077 -0.0040 0.0126  0.0011  48   PRO A HD3  
400  N  N    . SER A 49  ? 0.1238 0.1636 0.0071 0.0016  0.0099  0.0000  49   SER A N    
401  C  CA   . SER A 49  ? 0.1314 0.1696 0.0272 0.0047  0.0124  -0.0054 49   SER A CA   
402  C  C    . SER A 49  ? 0.1166 0.1605 0.0183 0.0139  0.0156  -0.0080 49   SER A C    
403  O  O    . SER A 49  ? 0.1214 0.1599 0.0538 0.0213  0.0135  -0.0206 49   SER A O    
404  C  CB   . SER A 49  ? 0.1386 0.1703 0.0557 0.0045  -0.0016 -0.0114 49   SER A CB   
405  O  OG   . SER A 49  ? 0.1505 0.1780 0.0530 0.0214  -0.0274 -0.0132 49   SER A OG   
406  H  H    . SER A 49  ? 0.1239 0.1637 0.0076 0.0011  0.0123  -0.0023 49   SER A H    
407  H  HA   . SER A 49  ? 0.1281 0.1667 0.0255 0.0058  0.0098  -0.0060 49   SER A HA   
408  H  HB2  . SER A 49  ? 0.1400 0.1719 0.0481 0.0082  -0.0039 -0.0102 49   SER A HB2  
409  H  HB3  . SER A 49  ? 0.1397 0.1714 0.0481 0.0083  -0.0038 -0.0101 49   SER A HB3  
410  H  HG   . SER A 49  ? 0.1326 0.1326 0.1326 0.0000  0.0000  0.0000  49   SER A HG   
411  N  N    . ILE A 50  ? 0.1178 0.1540 0.0091 0.0159  0.0168  -0.0038 50   ILE A N    
412  C  CA   . ILE A 50  ? 0.1214 0.1532 0.0081 0.0175  0.0121  -0.0071 50   ILE A CA   
413  C  C    . ILE A 50  ? 0.1167 0.1552 0.0088 0.0172  0.0132  -0.0094 50   ILE A C    
414  O  O    . ILE A 50  ? 0.1297 0.1632 0.0313 0.0304  0.0002  -0.0174 50   ILE A O    
415  C  CB   . ILE A 50  ? 0.1392 0.1724 0.0080 0.0109  0.0116  -0.0100 50   ILE A CB   
416  C  CG1  . ILE A 50  ? 0.1513 0.1770 0.0065 0.0002  0.0056  -0.0024 50   ILE A CG1  
417  C  CG2  . ILE A 50  ? 0.1561 0.1809 0.0111 0.0083  0.0239  -0.0118 50   ILE A CG2  
418  C  CD1  . ILE A 50  ? 0.1481 0.1723 0.0072 0.0000  0.0093  -0.0065 50   ILE A CD1  
419  H  H    . ILE A 50  ? 0.1186 0.1552 0.0090 0.0159  0.0158  -0.0060 50   ILE A H    
420  H  HA   . ILE A 50  ? 0.1215 0.1567 0.0083 0.0165  0.0129  -0.0073 50   ILE A HA   
421  H  HB   . ILE A 50  ? 0.1397 0.1703 0.0080 0.0102  0.0128  -0.0083 50   ILE A HB   
422  H  HG12 . ILE A 50  ? 0.1488 0.1751 0.0069 0.0021  0.0081  -0.0052 50   ILE A HG12 
423  H  HG13 . ILE A 50  ? 0.1475 0.1745 0.0069 0.0027  0.0080  -0.0051 50   ILE A HG13 
424  H  HG21 . ILE A 50  ? 0.1523 0.1789 0.0102 0.0081  0.0210  -0.0112 50   ILE A HG21 
425  H  HG22 . ILE A 50  ? 0.1511 0.1785 0.0103 0.0094  0.0214  -0.0106 50   ILE A HG22 
426  H  HG23 . ILE A 50  ? 0.1499 0.1783 0.0104 0.0088  0.0216  -0.0108 50   ILE A HG23 
427  H  HD11 . ILE A 50  ? 0.1490 0.1737 0.0070 0.0002  0.0084  -0.0054 50   ILE A HD11 
428  H  HD12 . ILE A 50  ? 0.1489 0.1735 0.0069 0.0001  0.0082  -0.0052 50   ILE A HD12 
429  H  HD13 . ILE A 50  ? 0.1490 0.1736 0.0069 0.0001  0.0082  -0.0053 50   ILE A HD13 
430  N  N    . PHE A 51  ? 0.1142 0.1596 0.0187 0.0168  0.0095  -0.0236 51   PHE A N    
431  C  CA   . PHE A 51  ? 0.1341 0.1564 0.0181 0.0093  0.0115  -0.0249 51   PHE A CA   
432  C  C    . PHE A 51  ? 0.1381 0.1706 0.0169 0.0112  0.0128  -0.0218 51   PHE A C    
433  O  O    . PHE A 51  ? 0.1628 0.1742 0.0225 0.0163  0.0151  -0.0290 51   PHE A O    
434  C  CB   . PHE A 51  ? 0.1339 0.1535 0.0079 0.0047  0.0018  -0.0065 51   PHE A CB   
435  C  CG   . PHE A 51  ? 0.1373 0.1519 0.0121 0.0062  0.0031  -0.0072 51   PHE A CG   
436  C  CD1  . PHE A 51  ? 0.1371 0.1446 0.0065 0.0109  0.0033  -0.0045 51   PHE A CD1  
437  C  CD2  . PHE A 51  ? 0.1288 0.1470 0.0069 0.0092  0.0077  -0.0040 51   PHE A CD2  
438  C  CE1  . PHE A 51  ? 0.1307 0.1435 0.0065 0.0052  0.0003  -0.0053 51   PHE A CE1  
439  C  CE2  . PHE A 51  ? 0.1359 0.1429 0.0068 0.0091  0.0058  -0.0059 51   PHE A CE2  
440  C  CZ   . PHE A 51  ? 0.1326 0.1371 0.0094 0.0122  0.0046  -0.0051 51   PHE A CZ   
441  H  H    . PHE A 51  ? 0.1193 0.1570 0.0152 0.0153  0.0109  -0.0199 51   PHE A H    
442  H  HA   . PHE A 51  ? 0.1308 0.1588 0.0161 0.0104  0.0095  -0.0204 51   PHE A HA   
443  H  HB2  . PHE A 51  ? 0.1346 0.1532 0.0108 0.0060  0.0043  -0.0107 51   PHE A HB2  
444  H  HB3  . PHE A 51  ? 0.1346 0.1535 0.0098 0.0059  0.0038  -0.0111 51   PHE A HB3  
445  H  HD1  . PHE A 51  ? 0.1354 0.1455 0.0066 0.0085  0.0027  -0.0057 51   PHE A HD1  
446  H  HD2  . PHE A 51  ? 0.1321 0.1469 0.0074 0.0085  0.0063  -0.0053 51   PHE A HD2  
447  H  HE1  . PHE A 51  ? 0.1319 0.1418 0.0065 0.0076  0.0021  -0.0052 51   PHE A HE1  
448  H  HE2  . PHE A 51  ? 0.1335 0.1422 0.0069 0.0098  0.0059  -0.0057 51   PHE A HE2  
449  H  HZ   . PHE A 51  ? 0.1331 0.1401 0.0076 0.0098  0.0037  -0.0053 51   PHE A HZ   
450  N  N    . ASP A 52  ? 0.1512 0.1678 0.0179 0.0105  0.0211  -0.0354 52   ASP A N    
451  C  CA   . ASP A 52  ? 0.1468 0.1840 0.0135 0.0129  0.0244  -0.0157 52   ASP A CA   
452  C  C    . ASP A 52  ? 0.1389 0.1859 0.0305 0.0146  0.0307  -0.0068 52   ASP A C    
453  O  O    . ASP A 52  ? 0.1549 0.2039 0.0399 0.0339  0.0381  -0.0047 52   ASP A O    
454  C  CB   . ASP A 52  ? 0.1646 0.1982 0.0157 0.0045  0.0374  0.0002  52   ASP A CB   
455  C  CG   . ASP A 52  ? 0.1692 0.2142 0.0531 0.0109  0.0320  0.0038  52   ASP A CG   
456  O  OD1  . ASP A 52  ? 0.1829 0.2313 0.0688 0.0383  -0.0190 -0.0018 52   ASP A OD1  
457  O  OD2  . ASP A 52  ? 0.2340 0.2338 0.1149 0.0278  0.0651  0.0201  52   ASP A OD2  
458  H  H    . ASP A 52  ? 0.1469 0.1657 0.0160 0.0119  0.0201  -0.0311 52   ASP A H    
459  H  HA   . ASP A 52  ? 0.1485 0.1825 0.0140 0.0111  0.0260  -0.0164 52   ASP A HA   
460  H  HB2  . ASP A 52  ? 0.1597 0.1967 0.0204 0.0081  0.0337  -0.0031 52   ASP A HB2  
461  H  HB3  . ASP A 52  ? 0.1579 0.1968 0.0190 0.0080  0.0351  -0.0031 52   ASP A HB3  
462  N  N    . ALA A 53  ? 0.1430 0.1748 0.0367 0.0210  0.0310  0.0007  53   ALA A N    
463  C  CA   . ALA A 53  ? 0.1515 0.1861 0.0643 0.0198  0.0187  -0.0056 53   ALA A CA   
464  C  C    . ALA A 53  ? 0.1653 0.1954 0.0998 0.0396  0.0245  -0.0119 53   ALA A C    
465  O  O    . ALA A 53  ? 0.1600 0.2427 0.1955 0.0653  0.0054  -0.0116 53   ALA A O    
466  C  CB   . ALA A 53  ? 0.1449 0.1819 0.0679 0.0242  0.0094  0.0002  53   ALA A CB   
467  H  H    . ALA A 53  ? 0.1433 0.1791 0.0386 0.0197  0.0290  -0.0038 53   ALA A H    
468  H  HA   . ALA A 53  ? 0.1509 0.1842 0.0639 0.0243  0.0201  -0.0043 53   ALA A HA   
469  H  HB1  . ALA A 53  ? 0.1458 0.1821 0.0668 0.0240  0.0117  -0.0011 53   ALA A HB1  
470  H  HB2  . ALA A 53  ? 0.1467 0.1828 0.0669 0.0232  0.0119  -0.0014 53   ALA A HB2  
471  H  HB3  . ALA A 53  ? 0.1473 0.1829 0.0673 0.0233  0.0115  -0.0015 53   ALA A HB3  
472  N  N    . ALA A 54  ? 0.1562 0.1860 0.0947 0.0247  0.0257  -0.0019 54   ALA A N    
473  C  CA   . ALA A 54  ? 0.1680 0.1978 0.1180 0.0215  0.0197  -0.0030 54   ALA A CA   
474  C  C    . ALA A 54  ? 0.1741 0.1938 0.1083 0.0020  0.0261  -0.0215 54   ALA A C    
475  O  O    . ALA A 54  ? 0.2188 0.1951 0.1629 -0.0072 0.0112  -0.0301 54   ALA A O    
476  C  CB   . ALA A 54  ? 0.1769 0.2003 0.1012 0.0227  0.0115  0.0106  54   ALA A CB   
477  H  H    . ALA A 54  ? 0.1597 0.1896 0.0980 0.0275  0.0243  -0.0048 54   ALA A H    
478  H  HA   . ALA A 54  ? 0.1688 0.1954 0.1098 0.0198  0.0207  -0.0035 54   ALA A HA   
479  H  HB1  . ALA A 54  ? 0.1746 0.2005 0.1056 0.0225  0.0137  0.0067  54   ALA A HB1  
480  H  HB2  . ALA A 54  ? 0.1739 0.1998 0.1025 0.0223  0.0126  0.0068  54   ALA A HB2  
481  H  HB3  . ALA A 54  ? 0.1745 0.1999 0.1050 0.0220  0.0136  0.0066  54   ALA A HB3  
482  N  N    . GLY A 55  ? 0.1738 0.1902 0.0794 0.0154  0.0214  -0.0344 55   GLY A N    
483  C  CA   . GLY A 55  ? 0.1696 0.2124 0.0689 0.0077  0.0370  -0.0340 55   GLY A CA   
484  C  C    . GLY A 55  ? 0.1924 0.2150 0.0510 0.0136  0.0495  -0.0203 55   GLY A C    
485  O  O    . GLY A 55  ? 0.1906 0.1885 0.0241 -0.0009 0.0424  -0.0237 55   GLY A O    
486  H  H    . GLY A 55  ? 0.1720 0.1936 0.0828 0.0100  0.0255  -0.0317 55   GLY A H    
487  H  HA2  . GLY A 55  ? 0.1745 0.2071 0.0679 0.0102  0.0365  -0.0306 55   GLY A HA2  
488  H  HA3  . GLY A 55  ? 0.1756 0.2086 0.0692 0.0105  0.0359  -0.0303 55   GLY A HA3  
489  N  N    . ALA A 56  ? 0.2097 0.2243 0.0516 0.0193  0.0510  -0.0078 56   ALA A N    
490  C  CA   . ALA A 56  ? 0.2167 0.2405 0.0387 0.0195  0.0454  -0.0152 56   ALA A CA   
491  C  C    . ALA A 56  ? 0.2228 0.2172 0.0194 0.0120  0.0383  -0.0190 56   ALA A C    
492  O  O    . ALA A 56  ? 0.2428 0.2207 0.0610 0.0226  0.0315  -0.0039 56   ALA A O    
493  C  CB   . ALA A 56  ? 0.2407 0.2641 0.0396 0.0080  0.0560  -0.0133 56   ALA A CB   
494  H  H    . ALA A 56  ? 0.2075 0.2259 0.0495 0.0172  0.0486  -0.0121 56   ALA A H    
495  H  HA   . ALA A 56  ? 0.2205 0.2376 0.0379 0.0160  0.0470  -0.0139 56   ALA A HA   
496  H  HB1  . ALA A 56  ? 0.2358 0.2578 0.0402 0.0101  0.0541  -0.0147 56   ALA A HB1  
497  H  HB2  . ALA A 56  ? 0.2344 0.2574 0.0397 0.0118  0.0527  -0.0140 56   ALA A HB2  
498  H  HB3  . ALA A 56  ? 0.2336 0.2596 0.0398 0.0114  0.0529  -0.0132 56   ALA A HB3  
499  N  N    . GLU A 57  ? 0.2239 0.2055 0.0256 0.0160  0.0252  -0.0365 57   GLU A N    
500  C  CA   . GLU A 57  ? 0.2062 0.2051 0.0248 0.0120  0.0277  -0.0311 57   GLU A CA   
501  C  C    . GLU A 57  ? 0.1748 0.1664 0.0220 0.0095  0.0182  -0.0274 57   GLU A C    
502  O  O    . GLU A 57  ? 0.1747 0.1850 0.0256 -0.0042 0.0173  -0.0326 57   GLU A O    
503  C  CB   . GLU A 57  ? 0.2308 0.2178 0.0653 0.0129  0.0273  -0.0435 57   GLU A CB   
504  C  CG   . GLU A 57  ? 0.3101 0.2916 0.0774 0.0162  0.0352  -0.0610 57   GLU A CG   
505  C  CD   . GLU A 57  ? 0.4164 0.4224 0.1870 0.0463  0.0309  -0.0472 57   GLU A CD   
506  O  OE1  . GLU A 57  ? 0.4995 0.6088 0.2979 0.0683  0.0207  -0.1235 57   GLU A OE1  
507  O  OE2  . GLU A 57  ? 0.6522 0.5565 0.3173 0.0349  0.0971  0.0339  57   GLU A OE2  
508  H  H    . GLU A 57  ? 0.2197 0.2084 0.0246 0.0140  0.0292  -0.0309 57   GLU A H    
509  H  HA   . GLU A 57  ? 0.2058 0.1978 0.0304 0.0123  0.0255  -0.0331 57   GLU A HA   
510  H  HB2  . GLU A 57  ? 0.2342 0.2248 0.0555 0.0135  0.0287  -0.0426 57   GLU A HB2  
511  H  HB3  . GLU A 57  ? 0.2333 0.2240 0.0548 0.0130  0.0289  -0.0428 57   GLU A HB3  
512  H  HG2  . GLU A 57  ? 0.2968 0.2800 0.0849 0.0221  0.0313  -0.0534 57   GLU A HG2  
513  H  HG3  . GLU A 57  ? 0.2931 0.2834 0.0845 0.0205  0.0324  -0.0525 57   GLU A HG3  
514  N  N    . ALA A 58  ? 0.1548 0.1749 0.0112 0.0009  0.0221  -0.0162 58   ALA A N    
515  C  CA   . ALA A 58  ? 0.1481 0.1615 0.0070 0.0076  0.0070  -0.0069 58   ALA A CA   
516  C  C    . ALA A 58  ? 0.1547 0.1556 0.0063 0.0019  0.0024  -0.0002 58   ALA A C    
517  O  O    . ALA A 58  ? 0.1413 0.1504 0.0081 0.0021  0.0011  0.0067  58   ALA A O    
518  C  CB   . ALA A 58  ? 0.1468 0.1599 0.0161 0.0106  0.0009  -0.0004 58   ALA A CB   
519  H  H    . ALA A 58  ? 0.1548 0.1697 0.0103 0.0033  0.0186  -0.0159 58   ALA A H    
520  H  HA   . ALA A 58  ? 0.1503 0.1622 0.0070 0.0057  0.0080  -0.0066 58   ALA A HA   
521  H  HB1  . ALA A 58  ? 0.1479 0.1608 0.0144 0.0090  0.0000  -0.0005 58   ALA A HB1  
522  H  HB2  . ALA A 58  ? 0.1473 0.1601 0.0064 0.0098  0.0024  -0.0024 58   ALA A HB2  
523  H  HB3  . ALA A 58  ? 0.1476 0.1607 0.0064 0.0098  0.0024  -0.0025 58   ALA A HB3  
524  N  N    . VAL A 59  ? 0.1486 0.1456 0.0063 0.0082  0.0010  -0.0018 59   VAL A N    
525  C  CA   . VAL A 59  ? 0.1466 0.1444 0.0065 0.0112  -0.0052 -0.0033 59   VAL A CA   
526  C  C    . VAL A 59  ? 0.1404 0.1329 0.0070 0.0121  -0.0017 -0.0091 59   VAL A C    
527  O  O    . VAL A 59  ? 0.1376 0.1299 0.0191 0.0111  0.0016  -0.0014 59   VAL A O    
528  C  CB   . VAL A 59  ? 0.1609 0.1560 0.0065 0.0114  -0.0055 0.0020  59   VAL A CB   
529  C  CG1  . VAL A 59  ? 0.1590 0.1608 0.0067 0.0118  -0.0010 0.0079  59   VAL A CG1  
530  C  CG2  . VAL A 59  ? 0.1728 0.1778 0.0067 -0.0001 -0.0072 0.0049  59   VAL A CG2  
531  H  H    . VAL A 59  ? 0.1493 0.1474 0.0063 0.0072  0.0000  -0.0019 59   VAL A H    
532  H  HA   . VAL A 59  ? 0.1480 0.1443 0.0064 0.0107  -0.0033 -0.0030 59   VAL A HA   
533  H  HB   . VAL A 59  ? 0.1590 0.1571 0.0065 0.0100  -0.0049 0.0025  59   VAL A HB   
534  H  HG11 . VAL A 59  ? 0.1598 0.1594 0.0066 0.0115  -0.0021 0.0060  59   VAL A HG11 
535  H  HG12 . VAL A 59  ? 0.1599 0.1596 0.0066 0.0118  -0.0021 0.0061  59   VAL A HG12 
536  H  HG13 . VAL A 59  ? 0.1604 0.1593 0.0066 0.0116  -0.0013 0.0061  59   VAL A HG13 
537  H  HG21 . VAL A 59  ? 0.1694 0.1712 0.0067 0.0031  -0.0067 0.0039  59   VAL A HG21 
538  H  HG22 . VAL A 59  ? 0.1699 0.1710 0.0067 0.0031  -0.0074 0.0039  59   VAL A HG22 
539  H  HG23 . VAL A 59  ? 0.1700 0.1728 0.0066 0.0018  -0.0065 0.0036  59   VAL A HG23 
540  N  N    . ASP A 60  ? 0.1276 0.1479 0.0077 0.0123  0.0087  -0.0097 60   ASP A N    
541  C  CA   . ASP A 60  ? 0.1202 0.1523 0.0080 0.0120  0.0077  -0.0120 60   ASP A CA   
542  C  C    . ASP A 60  ? 0.1194 0.1487 0.0074 0.0098  0.0051  -0.0105 60   ASP A C    
543  O  O    . ASP A 60  ? 0.1223 0.1564 0.0068 0.0093  0.0077  -0.0019 60   ASP A O    
544  C  CB   . ASP A 60  ? 0.1213 0.1564 0.0065 0.0076  0.0042  0.0023  60   ASP A CB   
545  C  CG   . ASP A 60  ? 0.1197 0.1539 0.0077 0.0104  0.0127  -0.0010 60   ASP A CG   
546  O  OD1  . ASP A 60  ? 0.1293 0.1357 0.0065 0.0019  -0.0049 0.0009  60   ASP A OD1  
547  O  OD2  . ASP A 60  ? 0.1272 0.1559 0.0281 0.0057  0.0004  -0.0136 60   ASP A OD2  
548  H  H    . ASP A 60  ? 0.1293 0.1453 0.0074 0.0122  0.0060  -0.0099 60   ASP A H    
549  H  HA   . ASP A 60  ? 0.1219 0.1505 0.0073 0.0108  0.0067  -0.0091 60   ASP A HA   
550  H  HB2  . ASP A 60  ? 0.1206 0.1546 0.0067 0.0093  0.0067  -0.0017 60   ASP A HB2  
551  H  HB3  . ASP A 60  ? 0.1205 0.1538 0.0067 0.0098  0.0065  -0.0011 60   ASP A HB3  
552  N  N    . GLU A 61  ? 0.1138 0.1477 0.0065 0.0105  0.0005  -0.0058 61   GLU A N    
553  C  CA   . GLU A 61  ? 0.1134 0.1349 0.0071 0.0043  0.0050  -0.0086 61   GLU A CA   
554  C  C    . GLU A 61  ? 0.1248 0.1344 0.0075 0.0038  0.0111  -0.0044 61   GLU A C    
555  O  O    . GLU A 61  ? 0.1286 0.1391 0.0079 0.0073  -0.0014 -0.0147 61   GLU A O    
556  C  CB   . GLU A 61  ? 0.1110 0.1381 0.0070 0.0024  0.0016  -0.0095 61   GLU A CB   
557  C  CG   . GLU A 61  ? 0.1136 0.1386 0.0069 0.0069  -0.0020 -0.0086 61   GLU A CG   
558  C  CD   . GLU A 61  ? 0.1104 0.1407 0.0067 0.0158  0.0062  0.0034  61   GLU A CD   
559  O  OE1  . GLU A 61  ? 0.1282 0.1332 0.0064 0.0114  0.0001  0.0042  61   GLU A OE1  
560  O  OE2  . GLU A 61  ? 0.1268 0.1443 0.0072 0.0087  -0.0050 0.0091  61   GLU A OE2  
561  H  H    . GLU A 61  ? 0.1151 0.1449 0.0068 0.0088  0.0027  -0.0076 61   GLU A H    
562  H  HA   . GLU A 61  ? 0.1142 0.1378 0.0070 0.0049  0.0047  -0.0075 61   GLU A HA   
563  H  HB2  . GLU A 61  ? 0.1120 0.1375 0.0069 0.0039  0.0016  -0.0090 61   GLU A HB2  
564  H  HB3  . GLU A 61  ? 0.1114 0.1375 0.0070 0.0037  0.0016  -0.0091 61   GLU A HB3  
565  H  HG2  . GLU A 61  ? 0.1125 0.1386 0.0066 0.0078  0.0007  -0.0060 61   GLU A HG2  
566  H  HG3  . GLU A 61  ? 0.1133 0.1388 0.0066 0.0079  0.0006  -0.0061 61   GLU A HG3  
567  N  N    . TRP A 62  ? 0.1270 0.1332 0.0068 0.0122  0.0020  -0.0072 62   TRP A N    
568  C  CA   A TRP A 62  ? 0.1386 0.1422 0.0070 0.0071  0.0012  -0.0100 62   TRP A CA   
569  C  CA   B TRP A 62  ? 0.1323 0.1380 0.0071 0.0093  0.0003  -0.0102 62   TRP A CA   
570  C  C    . TRP A 62  ? 0.1353 0.1336 0.0071 0.0082  -0.0014 -0.0104 62   TRP A C    
571  O  O    . TRP A 62  ? 0.1403 0.1358 0.0070 0.0080  0.0012  -0.0097 62   TRP A O    
572  C  CB   A TRP A 62  ? 0.1426 0.1508 0.0090 0.0047  -0.0010 -0.0198 62   TRP A CB   
573  C  CB   B TRP A 62  ? 0.1279 0.1368 0.0094 0.0111  0.0013  -0.0199 62   TRP A CB   
574  C  CG   A TRP A 62  ? 0.1642 0.1600 0.0316 -0.0090 -0.0096 -0.0235 62   TRP A CG   
575  C  CG   B TRP A 62  ? 0.1276 0.1354 0.0141 0.0067  -0.0050 -0.0247 62   TRP A CG   
576  C  CD1  A TRP A 62  ? 0.1892 0.1685 0.0306 -0.0082 0.0011  -0.0225 62   TRP A CD1  
577  C  CD1  B TRP A 62  ? 0.1291 0.1426 0.0181 0.0070  0.0002  -0.0238 62   TRP A CD1  
578  C  CD2  A TRP A 62  ? 0.1835 0.1848 0.0446 -0.0100 -0.0070 -0.0385 62   TRP A CD2  
579  C  CD2  B TRP A 62  ? 0.1370 0.1358 0.0126 0.0119  0.0043  -0.0276 62   TRP A CD2  
580  N  NE1  A TRP A 62  ? 0.2081 0.1705 0.0515 -0.0183 -0.0044 -0.0109 62   TRP A NE1  
581  N  NE1  B TRP A 62  ? 0.1349 0.1399 0.0156 0.0113  0.0031  -0.0296 62   TRP A NE1  
582  C  CE2  A TRP A 62  ? 0.1954 0.1884 0.0635 -0.0128 0.0044  -0.0249 62   TRP A CE2  
583  C  CE2  B TRP A 62  ? 0.1334 0.1392 0.0140 0.0207  0.0064  -0.0299 62   TRP A CE2  
584  C  CE3  A TRP A 62  ? 0.1912 0.2082 0.0368 -0.0223 -0.0180 -0.0429 62   TRP A CE3  
585  C  CE3  B TRP A 62  ? 0.1356 0.1376 0.0143 0.0154  0.0069  -0.0285 62   TRP A CE3  
586  C  CZ2  A TRP A 62  ? 0.2109 0.2127 0.0703 -0.0167 0.0053  -0.0383 62   TRP A CZ2  
587  C  CZ2  B TRP A 62  ? 0.1359 0.1332 0.0196 0.0212  0.0042  -0.0396 62   TRP A CZ2  
588  C  CZ3  A TRP A 62  ? 0.2060 0.2189 0.0582 -0.0291 -0.0123 -0.0588 62   TRP A CZ3  
589  C  CZ3  B TRP A 62  ? 0.1354 0.1387 0.0171 0.0125  0.0065  -0.0363 62   TRP A CZ3  
590  C  CH2  A TRP A 62  ? 0.2253 0.2198 0.0792 -0.0214 0.0095  -0.0344 62   TRP A CH2  
591  C  CH2  B TRP A 62  ? 0.1360 0.1437 0.0190 0.0221  0.0001  -0.0411 62   TRP A CH2  
592  H  H    . TRP A 62  ? 0.1282 0.1350 0.0068 0.0103  0.0031  -0.0075 62   TRP A H    
593  H  HA   A TRP A 62  ? 0.1363 0.1399 0.0072 0.0080  0.0005  -0.0106 62   TRP A HA   
594  H  HA   B TRP A 62  ? 0.1310 0.1357 0.0072 0.0100  0.0005  -0.0109 62   TRP A HA   
595  H  HB2  A TRP A 62  ? 0.1436 0.1495 0.0088 0.0038  -0.0003 -0.0191 62   TRP A HB2  
596  H  HB2  B TRP A 62  ? 0.1271 0.1366 0.0092 0.0102  0.0011  -0.0191 62   TRP A HB2  
597  H  HB3  A TRP A 62  ? 0.1453 0.1499 0.0086 0.0028  -0.0018 -0.0182 62   TRP A HB3  
598  H  HB3  B TRP A 62  ? 0.1284 0.1367 0.0091 0.0098  0.0000  -0.0189 62   TRP A HB3  
599  H  HD1  A TRP A 62  ? 0.1854 0.1671 0.0297 -0.0102 -0.0008 -0.0214 62   TRP A HD1  
600  H  HD1  B TRP A 62  ? 0.1299 0.1400 0.0160 0.0079  0.0000  -0.0252 62   TRP A HD1  
601  H  HE1  A TRP A 62  ? 0.1991 0.1723 0.0480 -0.0157 -0.0005 -0.0167 62   TRP A HE1  
602  H  HE1  B TRP A 62  ? 0.1332 0.1403 0.0146 0.0126  0.0032  -0.0287 62   TRP A HE1  
603  H  HE3  A TRP A 62  ? 0.1920 0.2043 0.0429 -0.0197 -0.0135 -0.0442 62   TRP A HE3  
604  H  HE3  B TRP A 62  ? 0.1358 0.1386 0.0135 0.0137  0.0059  -0.0291 62   TRP A HE3  
605  H  HZ2  A TRP A 62  ? 0.2096 0.2092 0.0692 -0.0156 0.0055  -0.0340 62   TRP A HZ2  
606  H  HZ2  B TRP A 62  ? 0.1353 0.1354 0.0184 0.0210  0.0037  -0.0383 62   TRP A HZ2  
607  H  HZ3  A TRP A 62  ? 0.2061 0.2157 0.0601 -0.0245 -0.0112 -0.0502 62   TRP A HZ3  
608  H  HZ3  B TRP A 62  ? 0.1353 0.1399 0.0164 0.0153  0.0057  -0.0353 62   TRP A HZ3  
609  H  HH2  A TRP A 62  ? 0.2155 0.2205 0.0770 -0.0219 0.0028  -0.0357 62   TRP A HH2  
610  H  HH2  B TRP A 62  ? 0.1364 0.1413 0.0185 0.0204  0.0024  -0.0397 62   TRP A HH2  
611  N  N    . SER A 63  ? 0.1377 0.1396 0.0071 0.0145  -0.0049 -0.0099 63   SER A N    
612  C  CA   . SER A 63  ? 0.1443 0.1386 0.0093 0.0185  0.0038  -0.0187 63   SER A CA   
613  C  C    . SER A 63  ? 0.1420 0.1428 0.0101 0.0169  0.0071  -0.0205 63   SER A C    
614  O  O    . SER A 63  ? 0.1624 0.1503 0.0365 0.0237  0.0069  -0.0162 63   SER A O    
615  C  CB   . SER A 63  ? 0.1505 0.1556 0.0089 0.0168  0.0087  -0.0167 63   SER A CB   
616  O  OG   . SER A 63  ? 0.1518 0.1598 0.0093 0.0077  0.0150  -0.0139 63   SER A OG   
617  H  H    . SER A 63  ? 0.1383 0.1379 0.0074 0.0138  -0.0021 -0.0119 63   SER A H    
618  H  HA   . SER A 63  ? 0.1434 0.1410 0.0087 0.0168  0.0033  -0.0170 63   SER A HA   
619  H  HB2  . SER A 63  ? 0.1496 0.1524 0.0089 0.0150  0.0089  -0.0164 63   SER A HB2  
620  H  HB3  . SER A 63  ? 0.1498 0.1524 0.0090 0.0152  0.0093  -0.0164 63   SER A HB3  
621  H  HG   . SER A 63  ? 0.1052 0.1052 0.1052 0.0000  0.0000  0.0000  63   SER A HG   
622  N  N    . LEU A 64  ? 0.1321 0.1403 0.0094 0.0153  0.0099  -0.0163 64   LEU A N    
623  C  CA   . LEU A 64  ? 0.1301 0.1419 0.0135 0.0100  0.0138  -0.0110 64   LEU A CA   
624  C  C    . LEU A 64  ? 0.1344 0.1440 0.0103 0.0166  0.0149  -0.0153 64   LEU A C    
625  O  O    . LEU A 64  ? 0.1307 0.1596 0.0216 0.0163  0.0105  -0.0251 64   LEU A O    
626  C  CB   . LEU A 64  ? 0.1463 0.1430 0.0067 0.0017  0.0030  -0.0066 64   LEU A CB   
627  C  CG   . LEU A 64  ? 0.1475 0.1507 0.0242 -0.0038 -0.0006 -0.0016 64   LEU A CG   
628  C  CD1  . LEU A 64  ? 0.1549 0.1612 0.0223 -0.0178 -0.0024 -0.0005 64   LEU A CD1  
629  C  CD2  . LEU A 64  ? 0.1535 0.1720 0.0173 -0.0046 -0.0149 -0.0071 64   LEU A CD2  
630  H  H    . LEU A 64  ? 0.1334 0.1405 0.0094 0.0151  0.0101  -0.0163 64   LEU A H    
631  H  HA   . LEU A 64  ? 0.1335 0.1423 0.0087 0.0104  0.0123  -0.0120 64   LEU A HA   
632  H  HB2  . LEU A 64  ? 0.1430 0.1434 0.0110 0.0026  0.0046  -0.0059 64   LEU A HB2  
633  H  HB3  . LEU A 64  ? 0.1435 0.1444 0.0118 0.0026  0.0042  -0.0066 64   LEU A HB3  
634  H  HG   . LEU A 64  ? 0.1496 0.1538 0.0184 -0.0050 -0.0027 -0.0027 64   LEU A HG   
635  H  HD11 . LEU A 64  ? 0.1526 0.1587 0.0235 -0.0133 -0.0017 -0.0008 64   LEU A HD11 
636  H  HD12 . LEU A 64  ? 0.1526 0.1593 0.0234 -0.0135 -0.0018 -0.0012 64   LEU A HD12 
637  H  HD13 . LEU A 64  ? 0.1524 0.1591 0.0236 -0.0133 -0.0017 -0.0002 64   LEU A HD13 
638  H  HD21 . LEU A 64  ? 0.1530 0.1659 0.0203 -0.0041 -0.0119 -0.0060 64   LEU A HD21 
639  H  HD22 . LEU A 64  ? 0.1518 0.1671 0.0202 -0.0047 -0.0108 -0.0065 64   LEU A HD22 
640  H  HD23 . LEU A 64  ? 0.1504 0.1659 0.0189 -0.0047 -0.0119 -0.0059 64   LEU A HD23 
641  N  N    . THR A 65  ? 0.1329 0.1393 0.0167 0.0204  0.0174  -0.0057 65   THR A N    
642  C  CA   . THR A 65  ? 0.1270 0.1433 0.0069 0.0148  0.0069  -0.0043 65   THR A CA   
643  C  C    . THR A 65  ? 0.1245 0.1420 0.0085 0.0192  0.0146  -0.0044 65   THR A C    
644  O  O    . THR A 65  ? 0.1521 0.1444 0.0271 0.0296  0.0199  -0.0054 65   THR A O    
645  C  CB   . THR A 65  ? 0.1226 0.1426 0.0123 0.0081  0.0102  -0.0108 65   THR A CB   
646  O  OG1  . THR A 65  ? 0.1241 0.1483 0.0087 0.0018  0.0117  -0.0130 65   THR A OG1  
647  C  CG2  . THR A 65  ? 0.1294 0.1505 0.0101 -0.0016 0.0153  -0.0167 65   THR A CG2  
648  H  H    . THR A 65  ? 0.1309 0.1413 0.0115 0.0183  0.0145  -0.0080 65   THR A H    
649  H  HA   . THR A 65  ? 0.1255 0.1423 0.0076 0.0152  0.0105  -0.0061 65   THR A HA   
650  H  HB   . THR A 65  ? 0.1249 0.1447 0.0082 0.0066  0.0108  -0.0108 65   THR A HB   
651  H  HG1  . THR A 65  ? 0.0929 0.0929 0.0929 0.0000  0.0000  0.0000  65   THR A HG1  
652  H  HG21 . THR A 65  ? 0.1273 0.1483 0.0104 0.0012  0.0144  -0.0150 65   THR A HG21 
653  H  HG22 . THR A 65  ? 0.1277 0.1494 0.0112 0.0012  0.0141  -0.0157 65   THR A HG22 
654  H  HG23 . THR A 65  ? 0.1283 0.1484 0.0110 0.0014  0.0143  -0.0151 65   THR A HG23 
655  N  N    . LYS A 66  ? 0.1535 0.1445 0.0089 0.0238  0.0042  -0.0074 66   LYS A N    
656  C  CA   . LYS A 66  ? 0.1795 0.1554 0.0156 0.0163  0.0123  -0.0159 66   LYS A CA   
657  C  C    . LYS A 66  ? 0.1790 0.1613 0.0377 0.0223  0.0087  -0.0106 66   LYS A C    
658  O  O    . LYS A 66  ? 0.1757 0.1682 0.0571 0.0272  0.0137  -0.0151 66   LYS A O    
659  C  CB   . LYS A 66  ? 0.1921 0.1882 0.0560 0.0163  0.0015  -0.0190 66   LYS A CB   
660  C  CG   . LYS A 66  ? 0.2344 0.2172 0.1106 0.0170  -0.0138 -0.0409 66   LYS A CG   
661  C  CD   . LYS A 66  ? 0.2790 0.2938 0.1705 0.0045  -0.0552 -0.0443 66   LYS A CD   
662  C  CE   . LYS A 66  ? 0.3855 0.3479 0.2479 -0.0094 -0.0816 -0.0641 66   LYS A CE   
663  N  NZ   . LYS A 66  ? 0.4724 0.4016 0.3090 -0.0407 -0.1053 -0.0336 66   LYS A NZ   
664  H  H    . LYS A 66  ? 0.1494 0.1450 0.0095 0.0219  0.0084  -0.0080 66   LYS A H    
665  H  HA   . LYS A 66  ? 0.1743 0.1570 0.0225 0.0189  0.0084  -0.0128 66   LYS A HA   
666  H  HB2  . LYS A 66  ? 0.1948 0.1828 0.0524 0.0163  0.0018  -0.0221 66   LYS A HB2  
667  H  HB3  . LYS A 66  ? 0.1951 0.1834 0.0529 0.0164  0.0017  -0.0224 66   LYS A HB3  
668  H  HG2  . LYS A 66  ? 0.2297 0.2206 0.1038 0.0147  -0.0169 -0.0350 66   LYS A HG2  
669  H  HG3  . LYS A 66  ? 0.2295 0.2227 0.1050 0.0148  -0.0167 -0.0363 66   LYS A HG3  
670  H  HD2  . LYS A 66  ? 0.2840 0.2791 0.1650 0.0064  -0.0485 -0.0467 66   LYS A HD2  
671  H  HD3  . LYS A 66  ? 0.2815 0.2824 0.1649 0.0063  -0.0471 -0.0486 66   LYS A HD3  
672  H  HE2  . LYS A 66  ? 0.3735 0.3416 0.2392 -0.0110 -0.0741 -0.0534 66   LYS A HE2  
673  H  HE3  . LYS A 66  ? 0.3741 0.3396 0.2367 -0.0102 -0.0809 -0.0525 66   LYS A HE3  
674  H  HZ1  . LYS A 66  ? 0.4497 0.3814 0.2937 -0.0289 -0.1025 -0.0422 66   LYS A HZ1  
675  H  HZ2  . LYS A 66  ? 0.4480 0.3799 0.2893 -0.0309 -0.0891 -0.0434 66   LYS A HZ2  
676  H  HZ3  . LYS A 66  ? 0.4440 0.3900 0.2972 -0.0279 -0.0946 -0.0346 66   LYS A HZ3  
677  N  N    . ILE A 67  ? 0.1673 0.1612 0.0234 0.0211  0.0146  -0.0165 67   ILE A N    
678  C  CA   . ILE A 67  ? 0.1789 0.1652 0.0366 0.0159  0.0238  -0.0139 67   ILE A CA   
679  C  C    . ILE A 67  ? 0.1767 0.1716 0.0359 0.0258  0.0298  -0.0204 67   ILE A C    
680  O  O    . ILE A 67  ? 0.2128 0.1868 0.0532 0.0467  0.0239  -0.0213 67   ILE A O    
681  C  CB   . ILE A 67  ? 0.1819 0.1684 0.0450 0.0229  0.0377  -0.0033 67   ILE A CB   
682  C  CG1  . ILE A 67  ? 0.2006 0.1757 0.0571 0.0270  0.0404  0.0002  67   ILE A CG1  
683  C  CG2  . ILE A 67  ? 0.1806 0.1822 0.0819 0.0215  0.0319  -0.0020 67   ILE A CG2  
684  C  CD1  . ILE A 67  ? 0.2276 0.1827 0.0698 0.0344  0.0459  0.0157  67   ILE A CD1  
685  H  H    . ILE A 67  ? 0.1718 0.1608 0.0293 0.0210  0.0155  -0.0145 67   ILE A H    
686  H  HA   . ILE A 67  ? 0.1764 0.1660 0.0350 0.0201  0.0254  -0.0137 67   ILE A HA   
687  H  HB   . ILE A 67  ? 0.1841 0.1694 0.0494 0.0227  0.0349  -0.0060 67   ILE A HB   
688  H  HG12 . ILE A 67  ? 0.2000 0.1749 0.0559 0.0276  0.0408  0.0023  67   ILE A HG12 
689  H  HG13 . ILE A 67  ? 0.1998 0.1746 0.0555 0.0276  0.0403  0.0021  67   ILE A HG13 
690  H  HG21 . ILE A 67  ? 0.1818 0.1811 0.0719 0.0209  0.0332  -0.0005 67   ILE A HG21 
691  H  HG22 . ILE A 67  ? 0.1824 0.1789 0.0722 0.0219  0.0351  -0.0022 67   ILE A HG22 
692  H  HG23 . ILE A 67  ? 0.1819 0.1808 0.0714 0.0220  0.0339  -0.0032 67   ILE A HG23 
693  H  HD11 . ILE A 67  ? 0.2205 0.1811 0.0670 0.0329  0.0431  0.0106  67   ILE A HD11 
694  H  HD12 . ILE A 67  ? 0.2187 0.1815 0.0691 0.0313  0.0426  0.0126  67   ILE A HD12 
695  H  HD13 . ILE A 67  ? 0.2204 0.1807 0.0682 0.0319  0.0455  0.0109  67   ILE A HD13 
696  N  N    . LEU A 68  ? 0.1677 0.1646 0.0352 0.0268  0.0168  -0.0232 68   LEU A N    
697  C  CA   . LEU A 68  ? 0.1663 0.1758 0.0542 0.0248  0.0076  -0.0168 68   LEU A CA   
698  C  C    . LEU A 68  ? 0.1613 0.1639 0.0465 0.0320  0.0142  -0.0324 68   LEU A C    
699  O  O    . LEU A 68  ? 0.1671 0.1812 0.0598 0.0430  0.0154  -0.0028 68   LEU A O    
700  C  CB   . LEU A 68  ? 0.1500 0.1627 0.0539 0.0139  0.0024  -0.0145 68   LEU A CB   
701  C  CG   . LEU A 68  ? 0.1435 0.1767 0.0727 0.0174  0.0007  -0.0002 68   LEU A CG   
702  C  CD1  . LEU A 68  ? 0.1371 0.1800 0.0700 0.0139  -0.0076 -0.0007 68   LEU A CD1  
703  C  CD2  . LEU A 68  ? 0.1477 0.1902 0.0629 0.0104  0.0047  0.0101  68   LEU A CD2  
704  H  H    . LEU A 68  ? 0.1680 0.1678 0.0391 0.0269  0.0183  -0.0214 68   LEU A H    
705  H  HA   . LEU A 68  ? 0.1647 0.1690 0.0500 0.0248  0.0084  -0.0204 68   LEU A HA   
706  H  HB2  . LEU A 68  ? 0.1509 0.1684 0.0576 0.0170  0.0035  -0.0117 68   LEU A HB2  
707  H  HB3  . LEU A 68  ? 0.1512 0.1683 0.0573 0.0173  0.0028  -0.0116 68   LEU A HB3  
708  H  HG   . LEU A 68  ? 0.1448 0.1766 0.0667 0.0146  0.0008  -0.0016 68   LEU A HG   
709  H  HD11 . LEU A 68  ? 0.1388 0.1794 0.0700 0.0147  -0.0054 -0.0007 68   LEU A HD11 
710  H  HD12 . LEU A 68  ? 0.1376 0.1793 0.0695 0.0152  -0.0062 -0.0005 68   LEU A HD12 
711  H  HD13 . LEU A 68  ? 0.1389 0.1792 0.0703 0.0150  -0.0054 -0.0007 68   LEU A HD13 
712  H  HD21 . LEU A 68  ? 0.1468 0.1862 0.0665 0.0127  0.0036  0.0070  68   LEU A HD21 
713  H  HD22 . LEU A 68  ? 0.1468 0.1861 0.0661 0.0124  0.0037  0.0067  68   LEU A HD22 
714  H  HD23 . LEU A 68  ? 0.1466 0.1869 0.0660 0.0127  0.0036  0.0069  68   LEU A HD23 
715  N  N    . GLY A 69  ? 0.1605 0.1766 0.0378 0.0279  0.0071  -0.0260 69   GLY A N    
716  C  CA   . GLY A 69  ? 0.1638 0.1696 0.0514 0.0255  0.0022  -0.0282 69   GLY A CA   
717  C  C    . GLY A 69  ? 0.1692 0.1448 0.0469 0.0179  0.0070  -0.0117 69   GLY A C    
718  O  O    . GLY A 69  ? 0.1744 0.1549 0.0323 0.0135  -0.0016 -0.0238 69   GLY A O    
719  H  H    . GLY A 69  ? 0.1609 0.1719 0.0427 0.0287  0.0076  -0.0277 69   GLY A H    
720  H  HA2  . GLY A 69  ? 0.1641 0.1655 0.0472 0.0243  0.0045  -0.0238 69   GLY A HA2  
721  H  HA3  . GLY A 69  ? 0.1643 0.1656 0.0473 0.0245  0.0046  -0.0237 69   GLY A HA3  
722  N  N    . LYS A 70  ? 0.1916 0.1401 0.0580 0.0119  0.0070  -0.0134 70   LYS A N    
723  C  CA   . LYS A 70  ? 0.1887 0.1493 0.0567 0.0144  0.0073  -0.0151 70   LYS A CA   
724  C  C    . LYS A 70  ? 0.1739 0.1564 0.0623 0.0221  0.0117  -0.0181 70   LYS A C    
725  O  O    . LYS A 70  ? 0.1719 0.1728 0.0593 0.0279  0.0119  -0.0340 70   LYS A O    
726  C  CB   . LYS A 70  ? 0.1921 0.1569 0.0587 0.0078  0.0015  -0.0051 70   LYS A CB   
727  C  CG   . LYS A 70  ? 0.2008 0.1513 0.0462 -0.0022 0.0011  -0.0003 70   LYS A CG   
728  C  CD   . LYS A 70  ? 0.2073 0.1565 0.0587 0.0039  -0.0091 -0.0100 70   LYS A CD   
729  C  CE   . LYS A 70  ? 0.2140 0.1568 0.0891 0.0075  -0.0281 -0.0278 70   LYS A CE   
730  N  NZ   . LYS A 70  ? 0.2222 0.1771 0.1638 0.0115  -0.0295 -0.0261 70   LYS A NZ   
731  H  H    . LYS A 70  ? 0.1851 0.1421 0.0546 0.0139  0.0070  -0.0140 70   LYS A H    
732  H  HA   . LYS A 70  ? 0.1871 0.1503 0.0583 0.0142  0.0070  -0.0136 70   LYS A HA   
733  H  HB2  . LYS A 70  ? 0.1936 0.1542 0.0559 0.0068  0.0027  -0.0061 70   LYS A HB2  
734  H  HB3  . LYS A 70  ? 0.1933 0.1540 0.0586 0.0070  0.0025  -0.0058 70   LYS A HB3  
735  H  HG2  . LYS A 70  ? 0.2003 0.1531 0.0463 0.0013  -0.0008 -0.0031 70   LYS A HG2  
736  H  HG3  . LYS A 70  ? 0.2004 0.1511 0.0507 0.0009  -0.0010 -0.0029 70   LYS A HG3  
737  H  HD2  . LYS A 70  ? 0.2072 0.1554 0.0591 0.0032  -0.0106 -0.0113 70   LYS A HD2  
738  H  HD3  . LYS A 70  ? 0.2071 0.1554 0.0617 0.0033  -0.0104 -0.0114 70   LYS A HD3  
739  H  HE2  . LYS A 70  ? 0.2137 0.1598 0.0916 0.0075  -0.0237 -0.0222 70   LYS A HE2  
740  H  HE3  . LYS A 70  ? 0.2135 0.1588 0.0932 0.0073  -0.0232 -0.0224 70   LYS A HE3  
741  H  HZ1  . LYS A 70  ? 0.2193 0.1737 0.1383 0.0102  -0.0282 -0.0278 70   LYS A HZ1  
742  H  HZ2  . LYS A 70  ? 0.2197 0.1712 0.1508 0.0100  -0.0272 -0.0304 70   LYS A HZ2  
743  H  HZ3  . LYS A 70  ? 0.2218 0.1710 0.1391 0.0113  -0.0274 -0.0271 70   LYS A HZ3  
744  N  N    . GLU A 71  ? 0.1815 0.1497 0.0699 0.0302  -0.0003 -0.0134 71   GLU A N    
745  C  CA   . GLU A 71  ? 0.1920 0.1703 0.0830 0.0299  -0.0121 -0.0005 71   GLU A CA   
746  C  C    . GLU A 71  ? 0.1736 0.1521 0.0787 0.0387  0.0055  -0.0126 71   GLU A C    
747  O  O    . GLU A 71  ? 0.1810 0.1571 0.0690 0.0341  -0.0082 -0.0160 71   GLU A O    
748  C  CB   . GLU A 71  ? 0.2067 0.1968 0.1416 0.0496  -0.0141 -0.0077 71   GLU A CB   
749  C  CG   . GLU A 71  ? 0.2756 0.2772 0.1887 0.0535  -0.0403 -0.0160 71   GLU A CG   
750  C  CD   . GLU A 71  ? 0.3301 0.3447 0.2837 0.1070  -0.0713 -0.0512 71   GLU A CD   
751  O  OE1  . GLU A 71  ? 0.4292 0.3596 0.4150 0.1420  -0.0734 -0.0980 71   GLU A OE1  
752  O  OE2  . GLU A 71  ? 0.3798 0.4750 0.4099 0.1109  -0.1363 -0.0250 71   GLU A OE2  
753  H  H    . GLU A 71  ? 0.1818 0.1532 0.0690 0.0283  0.0004  -0.0138 71   GLU A H    
754  H  HA   . GLU A 71  ? 0.1875 0.1651 0.0864 0.0345  -0.0063 -0.0070 71   GLU A HA   
755  H  HB2  . GLU A 71  ? 0.2120 0.1998 0.1308 0.0451  -0.0182 -0.0071 71   GLU A HB2  
756  H  HB3  . GLU A 71  ? 0.2121 0.1996 0.1353 0.0449  -0.0192 -0.0068 71   GLU A HB3  
757  H  HG2  . GLU A 71  ? 0.2599 0.2611 0.1866 0.0629  -0.0380 -0.0203 71   GLU A HG2  
758  H  HG3  . GLU A 71  ? 0.2603 0.2600 0.1906 0.0616  -0.0387 -0.0185 71   GLU A HG3  
759  N  N    . GLU A 72  ? 0.1553 0.1603 0.0657 0.0345  -0.0020 -0.0099 72   GLU A N    
760  C  CA   . GLU A 72  ? 0.1532 0.1618 0.0609 0.0284  -0.0018 -0.0093 72   GLU A CA   
761  C  C    . GLU A 72  ? 0.1421 0.1507 0.0521 0.0170  0.0085  -0.0243 72   GLU A C    
762  O  O    . GLU A 72  ? 0.1382 0.1498 0.0516 0.0094  -0.0029 -0.0222 72   GLU A O    
763  C  CB   . GLU A 72  ? 0.1589 0.1911 0.0703 0.0371  0.0100  -0.0101 72   GLU A CB   
764  C  CG   . GLU A 72  ? 0.1729 0.2060 0.0777 0.0314  0.0140  0.0079  72   GLU A CG   
765  C  CD   . GLU A 72  ? 0.1600 0.2113 0.1381 0.0444  0.0165  0.0195  72   GLU A CD   
766  O  OE1  . GLU A 72  ? 0.2071 0.2343 0.2086 0.0463  -0.0043 0.0518  72   GLU A OE1  
767  O  OE2  . GLU A 72  ? 0.1890 0.2254 0.1623 0.0395  0.0013  0.0118  72   GLU A OE2  
768  H  H    . GLU A 72  ? 0.1590 0.1589 0.0673 0.0340  -0.0003 -0.0105 72   GLU A H    
769  H  HA   . GLU A 72  ? 0.1513 0.1632 0.0609 0.0287  0.0014  -0.0125 72   GLU A HA   
770  H  HB2  . GLU A 72  ? 0.1598 0.1852 0.0694 0.0342  0.0080  -0.0060 72   GLU A HB2  
771  H  HB3  . GLU A 72  ? 0.1605 0.1855 0.0695 0.0340  0.0084  -0.0060 72   GLU A HB3  
772  H  HG2  . GLU A 72  ? 0.1669 0.2033 0.0798 0.0351  0.0147  0.0057  72   GLU A HG2  
773  H  HG3  . GLU A 72  ? 0.1682 0.2049 0.0845 0.0328  0.0132  0.0060  72   GLU A HG3  
774  N  N    . ALA A 73  ? 0.1488 0.1406 0.0455 0.0148  0.0116  -0.0148 73   ALA A N    
775  C  CA   . ALA A 73  ? 0.1537 0.1417 0.0301 0.0160  0.0090  -0.0171 73   ALA A CA   
776  C  C    . ALA A 73  ? 0.1370 0.1399 0.0271 0.0156  -0.0033 -0.0120 73   ALA A C    
777  O  O    . ALA A 73  ? 0.1440 0.1411 0.0273 0.0183  -0.0087 -0.0113 73   ALA A O    
778  C  CB   . ALA A 73  ? 0.1527 0.1521 0.0300 0.0201  0.0141  -0.0176 73   ALA A CB   
779  H  H    . ALA A 73  ? 0.1485 0.1432 0.0434 0.0157  0.0102  -0.0175 73   ALA A H    
780  H  HA   . ALA A 73  ? 0.1491 0.1428 0.0324 0.0163  0.0080  -0.0157 73   ALA A HA   
781  H  HB1  . ALA A 73  ? 0.1527 0.1489 0.0300 0.0189  0.0125  -0.0176 73   ALA A HB1  
782  H  HB2  . ALA A 73  ? 0.1531 0.1490 0.0301 0.0189  0.0125  -0.0176 73   ALA A HB2  
783  H  HB3  . ALA A 73  ? 0.1531 0.1496 0.0303 0.0191  0.0124  -0.0180 73   ALA A HB3  
784  N  N    . GLU A 74  ? 0.1499 0.1358 0.0311 0.0040  -0.0035 -0.0213 74   GLU A N    
785  C  CA   . GLU A 74  ? 0.1565 0.1564 0.0280 0.0048  0.0004  -0.0133 74   GLU A CA   
786  C  C    . GLU A 74  ? 0.1554 0.1426 0.0290 0.0091  -0.0035 -0.0163 74   GLU A C    
787  O  O    . GLU A 74  ? 0.1442 0.1426 0.0280 0.0105  -0.0094 -0.0198 74   GLU A O    
788  C  CB   . GLU A 74  ? 0.1723 0.1576 0.0442 0.0074  0.0094  -0.0090 74   GLU A CB   
789  C  CG   . GLU A 74  ? 0.1897 0.1734 0.0425 0.0093  0.0059  0.0008  74   GLU A CG   
790  C  CD   . GLU A 74  ? 0.1918 0.1925 0.0566 0.0065  -0.0066 -0.0171 74   GLU A CD   
791  O  OE1  . GLU A 74  ? 0.1984 0.2223 0.0345 0.0264  -0.0190 -0.0069 74   GLU A OE1  
792  O  OE2  . GLU A 74  ? 0.2466 0.2097 0.0843 0.0189  -0.0093 -0.0404 74   GLU A OE2  
793  H  H    . GLU A 74  ? 0.1483 0.1373 0.0293 0.0072  -0.0024 -0.0184 74   GLU A H    
794  H  HA   . GLU A 74  ? 0.1578 0.1496 0.0314 0.0056  0.0000  -0.0146 74   GLU A HA   
795  H  HB2  . GLU A 74  ? 0.1716 0.1606 0.0394 0.0076  0.0065  -0.0079 74   GLU A HB2  
796  H  HB3  . GLU A 74  ? 0.1708 0.1601 0.0394 0.0076  0.0066  -0.0081 74   GLU A HB3  
797  H  HG2  . GLU A 74  ? 0.1858 0.1712 0.0453 0.0089  0.0040  -0.0040 74   GLU A HG2  
798  H  HG3  . GLU A 74  ? 0.1867 0.1734 0.0457 0.0095  0.0044  -0.0048 74   GLU A HG3  
799  N  N    . ALA A 75  ? 0.1419 0.1544 0.0361 0.0162  -0.0088 -0.0128 75   ALA A N    
800  C  CA   . ALA A 75  ? 0.1405 0.1703 0.0414 0.0252  -0.0313 -0.0081 75   ALA A CA   
801  C  C    . ALA A 75  ? 0.1333 0.1603 0.0208 0.0097  -0.0243 -0.0095 75   ALA A C    
802  O  O    . ALA A 75  ? 0.1499 0.1595 0.0376 0.0010  -0.0117 -0.0128 75   ALA A O    
803  C  CB   . ALA A 75  ? 0.1370 0.1818 0.0670 0.0315  -0.0393 -0.0019 75   ALA A CB   
804  H  H    . ALA A 75  ? 0.1451 0.1546 0.0354 0.0163  -0.0122 -0.0128 75   ALA A H    
805  H  HA   . ALA A 75  ? 0.1394 0.1670 0.0399 0.0212  -0.0265 -0.0083 75   ALA A HA   
806  H  HB1  . ALA A 75  ? 0.1388 0.1784 0.0601 0.0299  -0.0364 -0.0038 75   ALA A HB1  
807  H  HB2  . ALA A 75  ? 0.1383 0.1789 0.0602 0.0295  -0.0365 -0.0041 75   ALA A HB2  
808  H  HB3  . ALA A 75  ? 0.1384 0.1782 0.0651 0.0296  -0.0359 -0.0037 75   ALA A HB3  
809  N  N    . ARG A 76  ? 0.1333 0.1518 0.0192 0.0165  -0.0162 -0.0019 76   ARG A N    
810  C  CA   . ARG A 76  ? 0.1317 0.1540 0.0367 0.0101  -0.0135 -0.0040 76   ARG A CA   
811  C  C    . ARG A 76  ? 0.1342 0.1389 0.0160 0.0033  -0.0130 -0.0129 76   ARG A C    
812  O  O    . ARG A 76  ? 0.1284 0.1484 0.0127 -0.0047 -0.0111 -0.0153 76   ARG A O    
813  C  CB   . ARG A 76  ? 0.1310 0.1821 0.0359 0.0149  -0.0004 -0.0112 76   ARG A CB   
814  C  CG   . ARG A 76  ? 0.1360 0.1966 0.0366 0.0234  0.0014  -0.0070 76   ARG A CG   
815  C  CD   . ARG A 76  ? 0.1547 0.2043 0.0380 0.0323  0.0154  -0.0051 76   ARG A CD   
816  N  NE   . ARG A 76  ? 0.1733 0.2240 0.0554 0.0377  0.0199  -0.0071 76   ARG A NE   
817  C  CZ   . ARG A 76  ? 0.1931 0.2528 0.0565 0.0333  0.0399  -0.0227 76   ARG A CZ   
818  N  NH1  . ARG A 76  ? 0.1963 0.2697 0.0631 0.0404  0.0677  0.0132  76   ARG A NH1  
819  N  NH2  . ARG A 76  ? 0.2350 0.2696 0.0703 0.0401  0.0603  -0.0247 76   ARG A NH2  
820  H  H    . ARG A 76  ? 0.1331 0.1549 0.0237 0.0137  -0.0173 -0.0040 76   ARG A H    
821  H  HA   . ARG A 76  ? 0.1323 0.1543 0.0284 0.0107  -0.0119 -0.0066 76   ARG A HA   
822  H  HB2  . ARG A 76  ? 0.1323 0.1778 0.0363 0.0156  -0.0031 -0.0087 76   ARG A HB2  
823  H  HB3  . ARG A 76  ? 0.1324 0.1794 0.0363 0.0154  -0.0031 -0.0092 76   ARG A HB3  
824  H  HG2  . ARG A 76  ? 0.1369 0.1943 0.0364 0.0229  0.0033  -0.0078 76   ARG A HG2  
825  H  HG3  . ARG A 76  ? 0.1381 0.1949 0.0368 0.0233  0.0039  -0.0077 76   ARG A HG3  
826  H  HD2  . ARG A 76  ? 0.1545 0.2061 0.0416 0.0314  0.0136  -0.0058 76   ARG A HD2  
827  H  HD3  . ARG A 76  ? 0.1539 0.2059 0.0413 0.0313  0.0135  -0.0058 76   ARG A HD3  
828  H  HE   . ARG A 76  ? 0.1710 0.2227 0.0503 0.0360  0.0225  -0.0091 76   ARG A HE   
829  H  HH11 . ARG A 76  ? 0.1944 0.2614 0.0593 0.0371  0.0567  0.0022  76   ARG A HH11 
830  H  HH12 . ARG A 76  ? 0.1952 0.2630 0.0563 0.0378  0.0593  0.0022  76   ARG A HH12 
831  H  HH21 . ARG A 76  ? 0.2194 0.2640 0.0682 0.0375  0.0532  -0.0245 76   ARG A HH21 
832  H  HH22 . ARG A 76  ? 0.2195 0.2657 0.0671 0.0361  0.0540  -0.0258 76   ARG A HH22 
833  N  N    . LEU A 77  ? 0.1324 0.1280 0.0221 0.0072  -0.0028 -0.0135 77   LEU A N    
834  C  CA   . LEU A 77  ? 0.1271 0.1269 0.0218 0.0074  -0.0006 -0.0057 77   LEU A CA   
835  C  C    . LEU A 77  ? 0.1299 0.1332 0.0245 0.0102  -0.0052 -0.0083 77   LEU A C    
836  O  O    . LEU A 77  ? 0.1346 0.1300 0.0173 0.0097  -0.0014 -0.0023 77   LEU A O    
837  C  CB   . LEU A 77  ? 0.1339 0.1329 0.0091 0.0038  0.0016  -0.0069 77   LEU A CB   
838  C  CG   . LEU A 77  ? 0.1437 0.1315 0.0184 0.0027  -0.0089 -0.0083 77   LEU A CG   
839  C  CD1  . LEU A 77  ? 0.1493 0.1621 0.0333 0.0017  -0.0051 -0.0166 77   LEU A CD1  
840  C  CD2  . LEU A 77  ? 0.1439 0.1441 0.0280 0.0082  -0.0065 -0.0143 77   LEU A CD2  
841  H  H    . LEU A 77  ? 0.1317 0.1292 0.0204 0.0062  -0.0047 -0.0119 77   LEU A H    
842  H  HA   . LEU A 77  ? 0.1301 0.1283 0.0196 0.0072  -0.0016 -0.0073 77   LEU A HA   
843  H  HB2  . LEU A 77  ? 0.1342 0.1320 0.0138 0.0045  -0.0008 -0.0072 77   LEU A HB2  
844  H  HB3  . LEU A 77  ? 0.1329 0.1312 0.0121 0.0051  0.0004  -0.0078 77   LEU A HB3  
845  H  HG   . LEU A 77  ? 0.1425 0.1357 0.0205 0.0042  -0.0057 -0.0102 77   LEU A HG   
846  H  HD11 . LEU A 77  ? 0.1488 0.1530 0.0321 0.0013  -0.0042 -0.0153 77   LEU A HD11 
847  H  HD12 . LEU A 77  ? 0.1479 0.1557 0.0291 0.0018  -0.0058 -0.0140 77   LEU A HD12 
848  H  HD13 . LEU A 77  ? 0.1485 0.1524 0.0290 0.0024  -0.0057 -0.0140 77   LEU A HD13 
849  H  HD21 . LEU A 77  ? 0.1439 0.1404 0.0253 0.0064  -0.0069 -0.0126 77   LEU A HD21 
850  H  HD22 . LEU A 77  ? 0.1440 0.1418 0.0255 0.0063  -0.0069 -0.0128 77   LEU A HD22 
851  H  HD23 . LEU A 77  ? 0.1444 0.1405 0.0271 0.0062  -0.0061 -0.0130 77   LEU A HD23 
852  N  N    . SER A 78  ? 0.1409 0.1395 0.0105 0.0066  -0.0097 -0.0060 78   SER A N    
853  C  CA   . SER A 78  ? 0.1398 0.1455 0.0077 0.0079  -0.0101 0.0011  78   SER A CA   
854  C  C    . SER A 78  ? 0.1297 0.1374 0.0098 0.0203  -0.0096 -0.0046 78   SER A C    
855  O  O    . SER A 78  ? 0.1379 0.1548 0.0082 0.0143  -0.0081 -0.0098 78   SER A O    
856  C  CB   . SER A 78  ? 0.1603 0.1472 0.0183 0.0148  -0.0251 -0.0027 78   SER A CB   
857  O  OG   . SER A 78  ? 0.1637 0.1583 0.0416 0.0185  -0.0365 -0.0096 78   SER A OG   
858  H  H    . SER A 78  ? 0.1380 0.1392 0.0133 0.0078  -0.0086 -0.0050 78   SER A H    
859  H  HA   . SER A 78  ? 0.1414 0.1429 0.0104 0.0111  -0.0123 -0.0020 78   SER A HA   
860  H  HB2  . SER A 78  ? 0.1560 0.1491 0.0187 0.0140  -0.0239 -0.0036 78   SER A HB2  
861  H  HB3  . SER A 78  ? 0.1563 0.1495 0.0202 0.0143  -0.0237 -0.0032 78   SER A HB3  
862  H  HG   . SER A 78  ? 0.1270 0.1270 0.1270 0.0000  0.0000  0.0000  78   SER A HG   
863  N  N    . ALA A 79  ? 0.1359 0.1387 0.0207 0.0025  -0.0032 -0.0119 79   ALA A N    
864  C  CA   . ALA A 79  ? 0.1354 0.1354 0.0127 0.0022  -0.0108 -0.0022 79   ALA A CA   
865  C  C    . ALA A 79  ? 0.1281 0.1439 0.0168 0.0041  -0.0133 -0.0127 79   ALA A C    
866  O  O    . ALA A 79  ? 0.1408 0.1376 0.0220 0.0109  -0.0082 -0.0205 79   ALA A O    
867  C  CB   . ALA A 79  ? 0.1262 0.1345 0.0451 -0.0015 -0.0014 -0.0071 79   ALA A CB   
868  H  H    . ALA A 79  ? 0.1343 0.1373 0.0159 0.0068  -0.0064 -0.0083 79   ALA A H    
869  H  HA   . ALA A 79  ? 0.1310 0.1375 0.0147 0.0022  -0.0111 -0.0064 79   ALA A HA   
870  H  HB1  . ALA A 79  ? 0.1290 0.1342 0.0360 -0.0010 -0.0036 -0.0057 79   ALA A HB1  
871  H  HB2  . ALA A 79  ? 0.1295 0.1348 0.0360 -0.0005 -0.0035 -0.0056 79   ALA A HB2  
872  H  HB3  . ALA A 79  ? 0.1308 0.1348 0.0406 -0.0007 -0.0011 -0.0060 79   ALA A HB3  
873  N  N    . HIS A 80  ? 0.1180 0.1449 0.0064 0.0064  -0.0029 -0.0014 80   HIS A N    
874  C  CA   . HIS A 80  ? 0.1211 0.1462 0.0069 0.0019  -0.0077 0.0039  80   HIS A CA   
875  C  C    . HIS A 80  ? 0.1139 0.1358 0.0093 0.0017  -0.0136 0.0124  80   HIS A C    
876  O  O    . HIS A 80  ? 0.1304 0.1349 0.0134 -0.0010 -0.0293 0.0048  80   HIS A O    
877  C  CB   . HIS A 80  ? 0.1344 0.1522 0.0065 0.0017  -0.0019 0.0046  80   HIS A CB   
878  C  CG   . HIS A 80  ? 0.1339 0.1674 0.0069 0.0025  -0.0084 -0.0031 80   HIS A CG   
879  N  ND1  . HIS A 80  ? 0.1569 0.1701 0.0065 0.0198  -0.0057 0.0014  80   HIS A ND1  
880  C  CD2  . HIS A 80  ? 0.1458 0.1796 0.0078 0.0061  -0.0086 -0.0132 80   HIS A CD2  
881  C  CE1  . HIS A 80  ? 0.1802 0.1900 0.0120 0.0203  -0.0316 -0.0040 80   HIS A CE1  
882  N  NE2  . HIS A 80  ? 0.1638 0.2064 0.0104 0.0215  -0.0227 -0.0161 80   HIS A NE2  
883  H  H    . HIS A 80  ? 0.1214 0.1452 0.0067 0.0048  -0.0063 -0.0025 80   HIS A H    
884  H  HA   . HIS A 80  ? 0.1213 0.1448 0.0069 0.0028  -0.0070 0.0046  80   HIS A HA   
885  H  HB2  . HIS A 80  ? 0.1296 0.1539 0.0064 0.0014  -0.0031 0.0032  80   HIS A HB2  
886  H  HB3  . HIS A 80  ? 0.1306 0.1536 0.0065 0.0018  -0.0044 0.0027  80   HIS A HB3  
887  H  HD1  . HIS A 80  ? 0.1070 0.1070 0.1070 0.0000  0.0000  0.0000  80   HIS A HD1  
888  H  HD2  . HIS A 80  ? 0.1460 0.1805 0.0078 0.0080  -0.0113 -0.0108 80   HIS A HD2  
889  H  HE1  . HIS A 80  ? 0.1702 0.1887 0.0095 0.0202  -0.0229 -0.0052 80   HIS A HE1  
890  H  HE2  . HIS A 80  ? 0.1259 0.1259 0.1259 0.0000  0.0000  0.0000  80   HIS A HE2  
891  N  N    . TRP A 81  ? 0.1242 0.1333 0.0066 -0.0003 -0.0044 0.0044  81   TRP A N    
892  C  CA   . TRP A 81  ? 0.1291 0.1435 0.0066 -0.0026 -0.0058 -0.0007 81   TRP A CA   
893  C  C    . TRP A 81  ? 0.1342 0.1431 0.0065 -0.0101 0.0033  -0.0042 81   TRP A C    
894  O  O    . TRP A 81  ? 0.1404 0.1375 0.0071 -0.0005 -0.0045 -0.0091 81   TRP A O    
895  C  CB   . TRP A 81  ? 0.1333 0.1435 0.0067 -0.0008 -0.0070 0.0022  81   TRP A CB   
896  C  CG   . TRP A 81  ? 0.1320 0.1373 0.0065 0.0000  -0.0043 0.0033  81   TRP A CG   
897  C  CD1  . TRP A 81  ? 0.1252 0.1288 0.0082 -0.0026 -0.0107 0.0112  81   TRP A CD1  
898  C  CD2  . TRP A 81  ? 0.1294 0.1351 0.0065 -0.0039 -0.0021 0.0054  81   TRP A CD2  
899  N  NE1  . TRP A 81  ? 0.1181 0.1311 0.0077 0.0022  -0.0110 0.0060  81   TRP A NE1  
900  C  CE2  . TRP A 81  ? 0.1232 0.1250 0.0063 -0.0007 -0.0013 -0.0003 81   TRP A CE2  
901  C  CE3  . TRP A 81  ? 0.1377 0.1367 0.0064 0.0017  -0.0033 -0.0025 81   TRP A CE3  
902  C  CZ2  . TRP A 81  ? 0.1125 0.1328 0.0072 -0.0014 -0.0077 -0.0062 81   TRP A CZ2  
903  C  CZ3  . TRP A 81  ? 0.1367 0.1311 0.0132 0.0017  -0.0056 0.0060  81   TRP A CZ3  
904  C  CH2  . TRP A 81  ? 0.1260 0.1296 0.0114 -0.0001 0.0016  -0.0076 81   TRP A CH2  
905  H  H    . TRP A 81  ? 0.1226 0.1351 0.0069 -0.0001 -0.0070 0.0049  81   TRP A H    
906  H  HA   . TRP A 81  ? 0.1296 0.1412 0.0064 -0.0031 -0.0042 0.0002  81   TRP A HA   
907  H  HB2  . TRP A 81  ? 0.1322 0.1421 0.0066 -0.0011 -0.0061 0.0018  81   TRP A HB2  
908  H  HB3  . TRP A 81  ? 0.1326 0.1421 0.0067 -0.0013 -0.0067 0.0020  81   TRP A HB3  
909  H  HD1  . TRP A 81  ? 0.1250 0.1299 0.0075 -0.0007 -0.0091 0.0081  81   TRP A HD1  
910  H  HE1  . TRP A 81  ? 0.1203 0.1292 0.0073 0.0005  -0.0095 0.0056  81   TRP A HE1  
911  H  HE3  . TRP A 81  ? 0.1339 0.1349 0.0065 0.0000  -0.0050 0.0007  81   TRP A HE3  
912  H  HZ2  . TRP A 81  ? 0.1157 0.1303 0.0070 -0.0015 -0.0069 -0.0054 81   TRP A HZ2  
913  H  HZ3  . TRP A 81  ? 0.1336 0.1306 0.0066 0.0018  -0.0040 0.0016  81   TRP A HZ3  
914  H  HH2  . TRP A 81  ? 0.1246 0.1301 0.0088 -0.0001 -0.0024 -0.0044 81   TRP A HH2  
915  N  N    . LYS A 82  ? 0.1314 0.1396 0.0072 -0.0068 0.0089  -0.0064 82   LYS A N    
916  C  CA   . LYS A 82  ? 0.1483 0.1558 0.0066 -0.0070 0.0026  -0.0058 82   LYS A CA   
917  C  C    . LYS A 82  ? 0.1376 0.1568 0.0089 -0.0117 -0.0183 -0.0018 82   LYS A C    
918  O  O    . LYS A 82  ? 0.2146 0.1799 0.0156 -0.0294 0.0000  -0.0242 82   LYS A O    
919  C  CB   . LYS A 82  ? 0.1772 0.1622 0.0258 -0.0011 -0.0003 -0.0049 82   LYS A CB   
920  C  CG   . LYS A 82  ? 0.2142 0.2326 0.0760 0.0127  -0.0394 -0.0093 82   LYS A CG   
921  C  CD   . LYS A 82  ? 0.2779 0.2859 0.1524 0.0375  -0.0549 0.0007  82   LYS A CD   
922  C  CE   . LYS A 82  ? 0.3391 0.3834 0.2951 -0.0052 -0.0589 0.0180  82   LYS A CE   
923  N  NZ   . LYS A 82  ? 0.3345 0.3504 0.3449 -0.0228 -0.0958 0.0396  82   LYS A NZ   
924  H  H    . LYS A 82  ? 0.1348 0.1418 0.0070 -0.0065 0.0067  -0.0069 82   LYS A H    
925  H  HA   . LYS A 82  ? 0.1442 0.1535 0.0065 -0.0070 0.0026  -0.0052 82   LYS A HA   
926  H  HB2  . LYS A 82  ? 0.1730 0.1677 0.0209 -0.0015 -0.0057 -0.0059 82   LYS A HB2  
927  H  HB3  . LYS A 82  ? 0.1737 0.1707 0.0213 -0.0009 -0.0052 -0.0057 82   LYS A HB3  
928  H  HG2  . LYS A 82  ? 0.2108 0.2160 0.0665 0.0152  -0.0306 -0.0065 82   LYS A HG2  
929  H  HG3  . LYS A 82  ? 0.2108 0.2131 0.0698 0.0103  -0.0333 -0.0035 82   LYS A HG3  
930  H  HD2  . LYS A 82  ? 0.2632 0.2801 0.1495 0.0246  -0.0496 0.0019  82   LYS A HD2  
931  H  HD3  . LYS A 82  ? 0.2643 0.2838 0.1417 0.0283  -0.0486 0.0026  82   LYS A HD3  
932  H  HE2  . LYS A 82  ? 0.3192 0.3482 0.2791 0.0057  -0.0633 0.0238  82   LYS A HE2  
933  H  HE3  . LYS A 82  ? 0.3219 0.3544 0.2621 0.0101  -0.0643 0.0197  82   LYS A HE3  
934  H  HZ1  . LYS A 82  ? 0.3349 0.3545 0.3319 -0.0208 -0.0850 0.0331  82   LYS A HZ1  
935  H  HZ2  . LYS A 82  ? 0.3362 0.3590 0.3374 -0.0180 -0.0840 0.0350  82   LYS A HZ2  
936  H  HZ3  . LYS A 82  ? 0.3400 0.3589 0.3325 -0.0188 -0.0863 0.0337  82   LYS A HZ3  
937  N  N    . SER A 83  ? 0.1248 0.1443 0.0083 -0.0093 -0.0154 0.0019  83   SER A N    
938  C  CA   . SER A 83  ? 0.1210 0.1472 0.0116 -0.0123 -0.0246 0.0033  83   SER A CA   
939  C  C    . SER A 83  ? 0.1220 0.1435 0.0074 -0.0133 -0.0071 0.0102  83   SER A C    
940  O  O    . SER A 83  ? 0.1350 0.1509 0.0069 -0.0203 -0.0071 0.0062  83   SER A O    
941  C  CB   . SER A 83  ? 0.1183 0.1547 0.0430 -0.0121 -0.0157 0.0023  83   SER A CB   
942  O  OG   . SER A 83  ? 0.1284 0.1642 0.0353 -0.0086 -0.0063 0.0058  83   SER A OG   
943  H  H    . SER A 83  ? 0.1269 0.1477 0.0089 -0.0105 -0.0177 0.0011  83   SER A H    
944  H  HA   . SER A 83  ? 0.1203 0.1470 0.0099 -0.0126 -0.0202 0.0031  83   SER A HA   
945  H  HB2  . SER A 83  ? 0.1211 0.1544 0.0330 -0.0116 -0.0158 0.0034  83   SER A HB2  
946  H  HB3  . SER A 83  ? 0.1222 0.1556 0.0342 -0.0113 -0.0159 0.0036  83   SER A HB3  
947  H  HG   . SER A 83  ? 0.1131 0.1131 0.1131 0.0000  0.0000  0.0000  83   SER A HG   
948  N  N    . PHE A 84  ? 0.1225 0.1273 0.0078 -0.0162 -0.0054 0.0128  84   PHE A N    
949  C  CA   . PHE A 84  ? 0.1224 0.1270 0.0067 -0.0092 -0.0071 0.0003  84   PHE A CA   
950  C  C    . PHE A 84  ? 0.1239 0.1215 0.0076 -0.0087 -0.0126 0.0007  84   PHE A C    
951  O  O    . PHE A 84  ? 0.1401 0.1239 0.0072 -0.0134 -0.0108 -0.0006 84   PHE A O    
952  C  CB   . PHE A 84  ? 0.1196 0.1309 0.0069 -0.0064 -0.0079 0.0042  84   PHE A CB   
953  C  CG   . PHE A 84  ? 0.1270 0.1368 0.0075 -0.0018 -0.0091 0.0084  84   PHE A CG   
954  C  CD1  . PHE A 84  ? 0.1337 0.1377 0.0079 0.0006  -0.0082 0.0116  84   PHE A CD1  
955  C  CD2  . PHE A 84  ? 0.1262 0.1522 0.0076 -0.0038 -0.0030 0.0135  84   PHE A CD2  
956  C  CE1  . PHE A 84  ? 0.1409 0.1332 0.0093 0.0035  -0.0171 0.0099  84   PHE A CE1  
957  C  CE2  . PHE A 84  ? 0.1206 0.1512 0.0077 0.0056  -0.0082 0.0104  84   PHE A CE2  
958  C  CZ   . PHE A 84  ? 0.1393 0.1383 0.0088 0.0058  -0.0135 0.0114  84   PHE A CZ   
959  H  H    . PHE A 84  ? 0.1222 0.1293 0.0072 -0.0144 -0.0064 0.0092  84   PHE A H    
960  H  HA   . PHE A 84  ? 0.1229 0.1276 0.0070 -0.0093 -0.0086 0.0029  84   PHE A HA   
961  H  HB2  . PHE A 84  ? 0.1217 0.1309 0.0070 -0.0060 -0.0079 0.0043  84   PHE A HB2  
962  H  HB3  . PHE A 84  ? 0.1214 0.1311 0.0069 -0.0063 -0.0076 0.0045  84   PHE A HB3  
963  H  HD1  . PHE A 84  ? 0.1335 0.1366 0.0080 0.0007  -0.0103 0.0104  84   PHE A HD1  
964  H  HD2  . PHE A 84  ? 0.1240 0.1464 0.0076 -0.0023 -0.0042 0.0128  84   PHE A HD2  
965  H  HE1  . PHE A 84  ? 0.1396 0.1366 0.0089 0.0043  -0.0156 0.0095  84   PHE A HE1  
966  H  HE2  . PHE A 84  ? 0.1236 0.1480 0.0078 0.0037  -0.0081 0.0114  84   PHE A HE2  
967  H  HZ   . PHE A 84  ? 0.1344 0.1389 0.0089 0.0059  -0.0136 0.0119  84   PHE A HZ   
968  N  N    . VAL A 85  ? 0.1248 0.1257 0.0070 -0.0038 -0.0068 0.0063  85   VAL A N    
969  C  CA   . VAL A 85  ? 0.1230 0.1348 0.0070 -0.0001 -0.0059 0.0075  85   VAL A CA   
970  C  C    . VAL A 85  ? 0.1168 0.1262 0.0065 0.0028  -0.0036 0.0039  85   VAL A C    
971  O  O    . VAL A 85  ? 0.1378 0.1266 0.0067 0.0044  -0.0066 0.0031  85   VAL A O    
972  C  CB   . VAL A 85  ? 0.1282 0.1467 0.0191 -0.0036 -0.0124 0.0011  85   VAL A CB   
973  C  CG1  . VAL A 85  ? 0.1268 0.1686 0.0376 -0.0081 -0.0037 -0.0099 85   VAL A CG1  
974  C  CG2  . VAL A 85  ? 0.1262 0.1454 0.0216 0.0003  -0.0169 -0.0042 85   VAL A CG2  
975  H  H    . VAL A 85  ? 0.1240 0.1261 0.0071 -0.0042 -0.0081 0.0052  85   VAL A H    
976  H  HA   . VAL A 85  ? 0.1229 0.1334 0.0069 -0.0010 -0.0068 0.0055  85   VAL A HA   
977  H  HB   . VAL A 85  ? 0.1264 0.1469 0.0192 -0.0028 -0.0105 -0.0002 85   VAL A HB   
978  H  HG11 . VAL A 85  ? 0.1275 0.1640 0.0325 -0.0065 -0.0059 -0.0067 85   VAL A HG11 
979  H  HG12 . VAL A 85  ? 0.1282 0.1628 0.0363 -0.0076 -0.0041 -0.0087 85   VAL A HG12 
980  H  HG13 . VAL A 85  ? 0.1272 0.1619 0.0324 -0.0068 -0.0061 -0.0068 85   VAL A HG13 
981  H  HG21 . VAL A 85  ? 0.1269 0.1457 0.0206 -0.0007 -0.0154 -0.0027 85   VAL A HG21 
982  H  HG22 . VAL A 85  ? 0.1267 0.1454 0.0203 -0.0007 -0.0154 -0.0027 85   VAL A HG22 
983  H  HG23 . VAL A 85  ? 0.1268 0.1459 0.0207 -0.0007 -0.0155 -0.0027 85   VAL A HG23 
984  N  N    . SER A 86  ? 0.1103 0.1233 0.0070 -0.0038 -0.0071 0.0052  86   SER A N    
985  C  CA   . SER A 86  ? 0.1166 0.1342 0.0086 -0.0052 -0.0140 0.0085  86   SER A CA   
986  C  C    . SER A 86  ? 0.1223 0.1556 0.0096 -0.0068 -0.0174 0.0110  86   SER A C    
987  O  O    . SER A 86  ? 0.1162 0.1564 0.0072 -0.0102 -0.0074 0.0081  86   SER A O    
988  C  CB   . SER A 86  ? 0.1088 0.1437 0.0096 0.0027  -0.0120 0.0029  86   SER A CB   
989  O  OG   . SER A 86  ? 0.1197 0.1536 0.0063 -0.0126 -0.0020 0.0008  86   SER A OG   
990  H  H    . SER A 86  ? 0.1132 0.1256 0.0071 -0.0023 -0.0078 0.0060  86   SER A H    
991  H  HA   . SER A 86  ? 0.1150 0.1360 0.0082 -0.0036 -0.0128 0.0075  86   SER A HA   
992  H  HB2  . SER A 86  ? 0.1131 0.1444 0.0075 -0.0023 -0.0106 0.0042  86   SER A HB2  
993  H  HB3  . SER A 86  ? 0.1130 0.1442 0.0073 -0.0021 -0.0099 0.0034  86   SER A HB3  
994  H  HG   . SER A 86  ? 0.0954 0.0954 0.0954 0.0000  0.0000  0.0000  86   SER A HG   
995  N  N    . ALA A 87  ? 0.1153 0.1827 0.0090 -0.0034 -0.0139 0.0128  87   ALA A N    
996  C  CA   . ALA A 87  ? 0.1269 0.1924 0.0084 0.0054  -0.0152 0.0047  87   ALA A CA   
997  C  C    . ALA A 87  ? 0.1208 0.1866 0.0111 0.0029  -0.0207 -0.0141 87   ALA A C    
998  O  O    . ALA A 87  ? 0.1291 0.2035 0.0320 0.0145  -0.0164 -0.0135 87   ALA A O    
999  C  CB   . ALA A 87  ? 0.1354 0.2241 0.0083 -0.0075 -0.0160 -0.0001 87   ALA A CB   
1000 H  H    . ALA A 87  ? 0.1195 0.1767 0.0089 -0.0025 -0.0150 0.0105  87   ALA A H    
1001 H  HA   . ALA A 87  ? 0.1265 0.1942 0.0085 0.0014  -0.0160 0.0021  87   ALA A HA   
1002 H  HB1  . ALA A 87  ? 0.1334 0.2154 0.0084 -0.0037 -0.0163 0.0018  87   ALA A HB1  
1003 H  HB2  . ALA A 87  ? 0.1330 0.2170 0.0083 -0.0030 -0.0158 0.0010  87   ALA A HB2  
1004 H  HB3  . ALA A 87  ? 0.1331 0.2150 0.0083 -0.0032 -0.0158 0.0013  87   ALA A HB3  
1005 N  N    . GLY A 88  ? 0.1168 0.1908 0.0143 -0.0004 -0.0285 -0.0104 88   GLY A N    
1006 C  CA   . GLY A 88  ? 0.1212 0.1744 0.0318 -0.0057 -0.0311 -0.0196 88   GLY A CA   
1007 C  C    . GLY A 88  ? 0.1174 0.1540 0.0084 -0.0087 -0.0048 -0.0164 88   GLY A C    
1008 O  O    . GLY A 88  ? 0.1521 0.1534 0.0237 0.0016  0.0003  -0.0089 88   GLY A O    
1009 H  H    . GLY A 88  ? 0.1191 0.1862 0.0140 -0.0013 -0.0276 -0.0129 88   GLY A H    
1010 H  HA2  . GLY A 88  ? 0.1199 0.1752 0.0231 -0.0054 -0.0253 -0.0140 88   GLY A HA2  
1011 H  HA3  . GLY A 88  ? 0.1221 0.1735 0.0198 -0.0050 -0.0258 -0.0165 88   GLY A HA3  
1012 N  N    . ASP A 89  ? 0.1082 0.1511 0.0086 -0.0050 -0.0048 -0.0170 89   ASP A N    
1013 C  CA   . ASP A 89  ? 0.1088 0.1464 0.0064 -0.0096 0.0009  -0.0043 89   ASP A CA   
1014 C  C    . ASP A 89  ? 0.1175 0.1464 0.0065 -0.0055 0.0045  0.0005  89   ASP A C    
1015 O  O    . ASP A 89  ? 0.1246 0.1531 0.0063 -0.0019 -0.0015 0.0006  89   ASP A O    
1016 C  CB   . ASP A 89  ? 0.1071 0.1443 0.0063 -0.0030 0.0000  -0.0006 89   ASP A CB   
1017 C  CG   . ASP A 89  ? 0.1185 0.1353 0.0068 -0.0054 0.0063  0.0040  89   ASP A CG   
1018 O  OD1  . ASP A 89  ? 0.1123 0.1389 0.0073 -0.0092 0.0006  0.0113  89   ASP A OD1  
1019 O  OD2  . ASP A 89  ? 0.1183 0.1425 0.0070 0.0017  0.0011  0.0096  89   ASP A OD2  
1020 H  H    . ASP A 89  ? 0.1105 0.1504 0.0078 -0.0066 -0.0036 -0.0137 89   ASP A H    
1021 H  HA   . ASP A 89  ? 0.1098 0.1459 0.0064 -0.0072 0.0006  -0.0044 89   ASP A HA   
1022 H  HB2  . ASP A 89  ? 0.1097 0.1436 0.0063 -0.0048 0.0013  -0.0007 89   ASP A HB2  
1023 H  HB3  . ASP A 89  ? 0.1084 0.1429 0.0063 -0.0045 0.0007  -0.0001 89   ASP A HB3  
1024 N  N    . PHE A 90  ? 0.1216 0.1536 0.0066 -0.0032 0.0032  0.0055  90   PHE A N    
1025 C  CA   . PHE A 90  ? 0.1268 0.1443 0.0080 -0.0127 0.0058  0.0001  90   PHE A CA   
1026 C  C    . PHE A 90  ? 0.1282 0.1481 0.0068 -0.0010 0.0060  -0.0054 90   PHE A C    
1027 O  O    . PHE A 90  ? 0.1382 0.1517 0.0072 0.0028  0.0065  0.0093  90   PHE A O    
1028 C  CB   . PHE A 90  ? 0.1344 0.1500 0.0064 -0.0120 0.0015  0.0037  90   PHE A CB   
1029 C  CG   . PHE A 90  ? 0.1418 0.1412 0.0067 -0.0116 0.0030  0.0068  90   PHE A CG   
1030 C  CD1  . PHE A 90  ? 0.1529 0.1615 0.0420 -0.0125 -0.0054 0.0021  90   PHE A CD1  
1031 C  CD2  . PHE A 90  ? 0.1502 0.1479 0.0165 -0.0076 0.0111  0.0063  90   PHE A CD2  
1032 C  CE1  . PHE A 90  ? 0.1570 0.1672 0.0388 -0.0037 -0.0211 0.0030  90   PHE A CE1  
1033 C  CE2  . PHE A 90  ? 0.1686 0.1609 0.0107 -0.0009 0.0246  -0.0104 90   PHE A CE2  
1034 C  CZ   . PHE A 90  ? 0.1919 0.1665 0.0064 -0.0080 0.0003  0.0034  90   PHE A CZ   
1035 H  H    . PHE A 90  ? 0.1221 0.1494 0.0065 -0.0060 0.0040  0.0030  90   PHE A H    
1036 H  HA   . PHE A 90  ? 0.1293 0.1478 0.0066 -0.0090 0.0059  0.0005  90   PHE A HA   
1037 H  HB2  . PHE A 90  ? 0.1331 0.1468 0.0064 -0.0115 0.0023  0.0037  90   PHE A HB2  
1038 H  HB3  . PHE A 90  ? 0.1334 0.1468 0.0065 -0.0116 0.0032  0.0033  90   PHE A HB3  
1039 H  HD1  . PHE A 90  ? 0.1513 0.1583 0.0279 -0.0115 -0.0063 0.0045  90   PHE A HD1  
1040 H  HD2  . PHE A 90  ? 0.1507 0.1490 0.0074 -0.0071 0.0122  0.0024  90   PHE A HD2  
1041 H  HE1  . PHE A 90  ? 0.1591 0.1653 0.0279 -0.0070 -0.0125 0.0028  90   PHE A HE1  
1042 H  HE2  . PHE A 90  ? 0.1648 0.1547 0.0086 -0.0008 0.0180  -0.0058 90   PHE A HE2  
1043 H  HZ   . PHE A 90  ? 0.1767 0.1655 0.0063 -0.0048 0.0028  0.0002  90   PHE A HZ   
1044 N  N    . GLN A 91  ? 0.1318 0.1646 0.0109 0.0038  -0.0018 -0.0182 91   GLN A N    
1045 C  CA   . GLN A 91  ? 0.1548 0.1797 0.0091 -0.0019 -0.0091 -0.0195 91   GLN A CA   
1046 C  C    . GLN A 91  ? 0.1419 0.1633 0.0091 -0.0024 -0.0037 -0.0204 91   GLN A C    
1047 O  O    . GLN A 91  ? 0.1346 0.1675 0.0084 -0.0002 0.0063  -0.0170 91   GLN A O    
1048 C  CB   . GLN A 91  ? 0.1720 0.2157 0.0338 0.0048  -0.0202 -0.0294 91   GLN A CB   
1049 C  CG   . GLN A 91  ? 0.2528 0.2654 0.0509 0.0145  -0.0514 -0.0395 91   GLN A CG   
1050 C  CD   . GLN A 91  ? 0.3555 0.2996 0.0651 0.0271  -0.0242 -0.0592 91   GLN A CD   
1051 O  OE1  . GLN A 91  ? 0.4524 0.3518 0.1167 -0.0085 -0.0136 -0.0209 91   GLN A OE1  
1052 N  NE2  . GLN A 91  ? 0.4136 0.3347 0.1111 0.0493  -0.0156 -0.0869 91   GLN A NE2  
1053 H  H    . GLN A 91  ? 0.1345 0.1624 0.0077 0.0021  -0.0010 -0.0150 91   GLN A H    
1054 H  HA   . GLN A 91  ? 0.1500 0.1778 0.0094 0.0002  -0.0085 -0.0211 91   GLN A HA   
1055 H  HB2  . GLN A 91  ? 0.1784 0.2137 0.0268 0.0044  -0.0223 -0.0296 91   GLN A HB2  
1056 H  HB3  . GLN A 91  ? 0.1778 0.2123 0.0258 0.0045  -0.0217 -0.0287 91   GLN A HB3  
1057 H  HG2  . GLN A 91  ? 0.2387 0.2541 0.0476 0.0143  -0.0368 -0.0397 91   GLN A HG2  
1058 H  HG3  . GLN A 91  ? 0.2384 0.2557 0.0483 0.0142  -0.0359 -0.0413 91   GLN A HG3  
1059 H  HE21 . GLN A 91  ? 0.3888 0.3281 0.0975 0.0437  -0.0219 -0.0815 91   GLN A HE21 
1060 H  HE22 . GLN A 91  ? 0.3971 0.3234 0.0978 0.0415  -0.0233 -0.0773 91   GLN A HE22 
1061 N  N    . ARG A 92  ? 0.1399 0.1452 0.0118 -0.0011 -0.0032 -0.0274 92   ARG A N    
1062 C  CA   . ARG A 92  ? 0.1390 0.1461 0.0114 -0.0078 -0.0099 -0.0240 92   ARG A CA   
1063 C  C    . ARG A 92  ? 0.1326 0.1371 0.0075 -0.0071 0.0000  -0.0125 92   ARG A C    
1064 O  O    . ARG A 92  ? 0.1353 0.1444 0.0531 -0.0021 0.0005  -0.0167 92   ARG A O    
1065 C  CB   . ARG A 92  ? 0.1384 0.1716 0.0333 -0.0127 0.0075  -0.0315 92   ARG A CB   
1066 C  CG   . ARG A 92  ? 0.1445 0.2218 0.0404 -0.0222 0.0132  -0.0378 92   ARG A CG   
1067 C  CD   . ARG A 92  ? 0.1686 0.2805 0.0491 -0.0283 0.0329  -0.0457 92   ARG A CD   
1068 N  NE   . ARG A 92  ? 0.1901 0.3368 0.1259 -0.0481 0.0733  -0.0538 92   ARG A NE   
1069 C  CZ   . ARG A 92  ? 0.1631 0.2638 0.0632 -0.0122 0.0754  -0.0175 92   ARG A CZ   
1070 N  NH1  . ARG A 92  ? 0.1753 0.3252 0.0954 0.0382  0.0515  0.0467  92   ARG A NH1  
1071 N  NH2  . ARG A 92  ? 0.1707 0.2171 0.1061 0.0038  0.0348  0.0385  92   ARG A NH2  
1072 H  H    . ARG A 92  ? 0.1394 0.1475 0.0111 -0.0016 -0.0044 -0.0257 92   ARG A H    
1073 H  HA   . ARG A 92  ? 0.1374 0.1457 0.0111 -0.0081 -0.0045 -0.0252 92   ARG A HA   
1074 H  HB2  . ARG A 92  ? 0.1396 0.1732 0.0258 -0.0132 0.0038  -0.0311 92   ARG A HB2  
1075 H  HB3  . ARG A 92  ? 0.1396 0.1734 0.0263 -0.0136 0.0040  -0.0320 92   ARG A HB3  
1076 H  HG2  . ARG A 92  ? 0.1482 0.2191 0.0419 -0.0201 0.0160  -0.0366 92   ARG A HG2  
1077 H  HG3  . ARG A 92  ? 0.1469 0.2164 0.0406 -0.0204 0.0155  -0.0378 92   ARG A HG3  
1078 H  HD2  . ARG A 92  ? 0.1645 0.2717 0.0575 -0.0288 0.0352  -0.0434 92   ARG A HD2  
1079 H  HD3  . ARG A 92  ? 0.1643 0.2713 0.0579 -0.0288 0.0353  -0.0442 92   ARG A HD3  
1080 H  HE   . ARG A 92  ? 0.1790 0.3147 0.0874 -0.0379 0.0648  -0.0429 92   ARG A HE   
1081 H  HH11 . ARG A 92  ? 0.1710 0.2967 0.0790 0.0191  0.0578  0.0201  92   ARG A HH11 
1082 H  HH12 . ARG A 92  ? 0.1746 0.3049 0.0817 0.0256  0.0577  0.0210  92   ARG A HH12 
1083 H  HH21 . ARG A 92  ? 0.1681 0.2309 0.0905 -0.0004 0.0471  0.0230  92   ARG A HH21 
1084 H  HH22 . ARG A 92  ? 0.1677 0.2251 0.0853 0.0013  0.0456  0.0284  92   ARG A HH22 
1085 N  N    . MET A 93  ? 0.1257 0.1375 0.0070 -0.0091 -0.0045 -0.0079 93   MET A N    
1086 C  CA   . MET A 93  ? 0.1253 0.1356 0.0074 -0.0014 -0.0102 -0.0049 93   MET A CA   
1087 C  C    . MET A 93  ? 0.1304 0.1349 0.0104 -0.0013 -0.0042 -0.0068 93   MET A C    
1088 O  O    . MET A 93  ? 0.1292 0.1423 0.0115 0.0009  0.0020  -0.0040 93   MET A O    
1089 C  CB   . MET A 93  ? 0.1160 0.1372 0.0087 -0.0029 -0.0136 -0.0093 93   MET A CB   
1090 C  CG   . MET A 93  ? 0.1377 0.1487 0.0088 -0.0044 -0.0143 -0.0108 93   MET A CG   
1091 S  SD   . MET A 93  ? 0.1460 0.1522 0.0064 -0.0161 -0.0026 -0.0033 93   MET A SD   
1092 C  CE   . MET A 93  ? 0.1526 0.1444 0.0171 -0.0215 0.0006  -0.0181 93   MET A CE   
1093 H  H    . MET A 93  ? 0.1273 0.1377 0.0071 -0.0069 -0.0050 -0.0085 93   MET A H    
1094 H  HA   . MET A 93  ? 0.1243 0.1351 0.0072 -0.0030 -0.0089 -0.0050 93   MET A HA   
1095 H  HB2  . MET A 93  ? 0.1221 0.1391 0.0083 -0.0028 -0.0128 -0.0084 93   MET A HB2  
1096 H  HB3  . MET A 93  ? 0.1199 0.1391 0.0083 -0.0024 -0.0128 -0.0085 93   MET A HB3  
1097 H  HG2  . MET A 93  ? 0.1334 0.1460 0.0081 -0.0061 -0.0121 -0.0090 93   MET A HG2  
1098 H  HG3  . MET A 93  ? 0.1349 0.1460 0.0081 -0.0061 -0.0121 -0.0090 93   MET A HG3  
1099 H  HE1  . MET A 93  ? 0.1512 0.1473 0.0149 -0.0208 0.0010  -0.0168 93   MET A HE1  
1100 H  HE2  . MET A 93  ? 0.1516 0.1463 0.0117 -0.0203 0.0001  -0.0150 93   MET A HE2  
1101 H  HE3  . MET A 93  ? 0.1509 0.1453 0.0115 -0.0205 0.0000  -0.0150 93   MET A HE3  
1102 N  N    . ALA A 94  ? 0.1392 0.1367 0.0097 -0.0010 -0.0013 -0.0080 94   ALA A N    
1103 C  CA   . ALA A 94  ? 0.1547 0.1621 0.0083 -0.0108 0.0017  -0.0177 94   ALA A CA   
1104 C  C    . ALA A 94  ? 0.1463 0.1613 0.0142 -0.0091 0.0051  -0.0225 94   ALA A C    
1105 O  O    . ALA A 94  ? 0.1640 0.1720 0.0244 -0.0070 0.0070  -0.0272 94   ALA A O    
1106 C  CB   . ALA A 94  ? 0.1758 0.1838 0.0094 -0.0125 0.0062  -0.0231 94   ALA A CB   
1107 H  H    . ALA A 94  ? 0.1392 0.1399 0.0080 -0.0020 -0.0017 -0.0095 94   ALA A H    
1108 H  HA   . ALA A 94  ? 0.1535 0.1595 0.0083 -0.0085 0.0025  -0.0174 94   ALA A HA   
1109 H  HB1  . ALA A 94  ? 0.1691 0.1765 0.0093 -0.0111 0.0058  -0.0222 94   ALA A HB1  
1110 H  HB2  . ALA A 94  ? 0.1698 0.1787 0.0091 -0.0108 0.0052  -0.0215 94   ALA A HB2  
1111 H  HB3  . ALA A 94  ? 0.1717 0.1770 0.0091 -0.0116 0.0054  -0.0216 94   ALA A HB3  
1112 N  N    . ASP A 95  ? 0.1433 0.1535 0.0173 -0.0074 0.0094  -0.0319 95   ASP A N    
1113 C  CA   . ASP A 95  ? 0.1545 0.1559 0.0729 -0.0102 0.0022  -0.0277 95   ASP A CA   
1114 C  C    . ASP A 95  ? 0.1619 0.1579 0.0874 -0.0076 0.0057  -0.0201 95   ASP A C    
1115 O  O    . ASP A 95  ? 0.1865 0.1597 0.1459 -0.0285 -0.0082 -0.0062 95   ASP A O    
1116 C  CB   . ASP A 95  ? 0.1539 0.1726 0.1355 -0.0205 0.0089  -0.0450 95   ASP A CB   
1117 C  CG   . ASP A 95  ? 0.1556 0.1922 0.1840 -0.0181 -0.0030 -0.0428 95   ASP A CG   
1118 O  OD1  . ASP A 95  ? 0.2041 0.3069 0.1786 0.0053  -0.0439 -0.0456 95   ASP A OD1  
1119 O  OD2  . ASP A 95  ? 0.1795 0.2813 0.3915 -0.0356 -0.0077 -0.0564 95   ASP A OD2  
1120 H  H    . ASP A 95  ? 0.1451 0.1544 0.0276 -0.0072 0.0072  -0.0292 95   ASP A H    
1121 H  HA   . ASP A 95  ? 0.1529 0.1591 0.0726 -0.0108 0.0047  -0.0284 95   ASP A HA   
1122 H  HB2  . ASP A 95  ? 0.1544 0.1717 0.1260 -0.0172 0.0047  -0.0392 95   ASP A HB2  
1123 H  HB3  . ASP A 95  ? 0.1545 0.1716 0.1261 -0.0171 0.0048  -0.0397 95   ASP A HB3  
1124 N  N    . ALA A 96  ? 0.1575 0.1456 0.0661 -0.0064 0.0224  -0.0117 96   ALA A N    
1125 C  CA   . ALA A 96  ? 0.1717 0.1496 0.0777 -0.0073 0.0188  0.0000  96   ALA A CA   
1126 C  C    . ALA A 96  ? 0.1590 0.1382 0.0487 -0.0094 0.0055  0.0115  96   ALA A C    
1127 O  O    . ALA A 96  ? 0.1837 0.1707 0.0546 0.0068  -0.0052 0.0178  96   ALA A O    
1128 C  CB   . ALA A 96  ? 0.1847 0.1719 0.0743 -0.0009 0.0278  0.0104  96   ALA A CB   
1129 H  H    . ALA A 96  ? 0.1609 0.1473 0.0717 -0.0066 0.0176  -0.0114 96   ALA A H    
1130 H  HA   . ALA A 96  ? 0.1677 0.1497 0.0687 -0.0064 0.0181  0.0014  96   ALA A HA   
1131 H  HB1  . ALA A 96  ? 0.1806 0.1650 0.0751 -0.0028 0.0247  0.0067  96   ALA A HB1  
1132 H  HB2  . ALA A 96  ? 0.1815 0.1649 0.0750 -0.0029 0.0244  0.0068  96   ALA A HB2  
1133 H  HB3  . ALA A 96  ? 0.1807 0.1670 0.0748 -0.0015 0.0245  0.0065  96   ALA A HB3  
1134 N  N    . GLY A 97  ? 0.1567 0.1483 0.0339 -0.0172 0.0040  -0.0082 97   GLY A N    
1135 C  CA   . GLY A 97  ? 0.1576 0.1396 0.0294 -0.0135 0.0158  -0.0135 97   GLY A CA   
1136 C  C    . GLY A 97  ? 0.1484 0.1327 0.0268 -0.0068 0.0141  -0.0076 97   GLY A C    
1137 O  O    . GLY A 97  ? 0.1515 0.1488 0.0605 -0.0130 0.0148  -0.0269 97   GLY A O    
1138 H  H    . GLY A 97  ? 0.1576 0.1444 0.0365 -0.0144 0.0073  -0.0051 97   GLY A H    
1139 H  HA2  . GLY A 97  ? 0.1553 0.1402 0.0286 -0.0128 0.0127  -0.0112 97   GLY A HA2  
1140 H  HA3  . GLY A 97  ? 0.1555 0.1411 0.0301 -0.0130 0.0128  -0.0112 97   GLY A HA3  
1141 N  N    . LEU A 98  ? 0.1322 0.1270 0.0218 -0.0096 0.0081  -0.0086 98   LEU A N    
1142 C  CA   . LEU A 98  ? 0.1488 0.1229 0.0068 -0.0085 0.0032  -0.0073 98   LEU A CA   
1143 C  C    . LEU A 98  ? 0.1523 0.1361 0.0065 -0.0036 0.0023  -0.0055 98   LEU A C    
1144 O  O    . LEU A 98  ? 0.1556 0.1470 0.0091 -0.0117 -0.0116 0.0092  98   LEU A O    
1145 C  CB   . LEU A 98  ? 0.1399 0.1239 0.0064 -0.0026 0.0011  -0.0026 98   LEU A CB   
1146 C  CG   . LEU A 98  ? 0.1370 0.1335 0.0065 0.0008  -0.0008 -0.0050 98   LEU A CG   
1147 C  CD1  . LEU A 98  ? 0.1421 0.1485 0.0064 0.0119  0.0023  0.0037  98   LEU A CD1  
1148 C  CD2  . LEU A 98  ? 0.1480 0.1386 0.0074 0.0009  0.0106  0.0065  98   LEU A CD2  
1149 H  H    . LEU A 98  ? 0.1368 0.1274 0.0182 -0.0082 0.0083  -0.0080 98   LEU A H    
1150 H  HA   . LEU A 98  ? 0.1454 0.1267 0.0068 -0.0070 0.0043  -0.0066 98   LEU A HA   
1151 H  HB2  . LEU A 98  ? 0.1408 0.1259 0.0064 -0.0027 0.0008  -0.0040 98   LEU A HB2  
1152 H  HB3  . LEU A 98  ? 0.1411 0.1258 0.0064 -0.0031 0.0010  -0.0042 98   LEU A HB3  
1153 H  HG   . LEU A 98  ? 0.1387 0.1338 0.0063 0.0009  0.0017  -0.0013 98   LEU A HG   
1154 H  HD11 . LEU A 98  ? 0.1407 0.1434 0.0063 0.0087  0.0014  0.0011  98   LEU A HD11 
1155 H  HD12 . LEU A 98  ? 0.1419 0.1438 0.0063 0.0095  0.0022  0.0017  98   LEU A HD12 
1156 H  HD13 . LEU A 98  ? 0.1403 0.1428 0.0063 0.0087  0.0011  0.0013  98   LEU A HD13 
1157 H  HD21 . LEU A 98  ? 0.1446 0.1382 0.0068 0.0005  0.0071  0.0039  98   LEU A HD21 
1158 H  HD22 . LEU A 98  ? 0.1453 0.1376 0.0068 0.0015  0.0074  0.0034  98   LEU A HD22 
1159 H  HD23 . LEU A 98  ? 0.1441 0.1371 0.0069 0.0007  0.0079  0.0038  98   LEU A HD23 
1160 N  N    . ASN A 99  ? 0.1563 0.1370 0.0071 -0.0081 0.0105  0.0015  99   ASN A N    
1161 C  CA   . ASN A 99  ? 0.1530 0.1338 0.0068 -0.0068 0.0082  0.0000  99   ASN A CA   
1162 C  C    . ASN A 99  ? 0.1415 0.1305 0.0067 -0.0016 0.0079  -0.0001 99   ASN A C    
1163 O  O    . ASN A 99  ? 0.1564 0.1293 0.0083 0.0013  0.0165  0.0046  99   ASN A O    
1164 C  CB   . ASN A 99  ? 0.1496 0.1485 0.0075 -0.0060 0.0078  -0.0108 99   ASN A CB   
1165 C  CG   . ASN A 99  ? 0.1489 0.1470 0.0096 -0.0003 0.0088  -0.0116 99   ASN A CG   
1166 O  OD1  . ASN A 99  ? 0.1492 0.1416 0.0066 -0.0013 0.0046  -0.0051 99   ASN A OD1  
1167 N  ND2  . ASN A 99  ? 0.1767 0.1817 0.0435 0.0206  -0.0195 -0.0268 99   ASN A ND2  
1168 H  H    . ASN A 99  ? 0.1549 0.1358 0.0069 -0.0068 0.0093  -0.0009 99   ASN A H    
1169 H  HA   . ASN A 99  ? 0.1502 0.1364 0.0067 -0.0058 0.0079  -0.0014 99   ASN A HA   
1170 H  HB2  . ASN A 99  ? 0.1515 0.1461 0.0073 -0.0042 0.0077  -0.0093 99   ASN A HB2  
1171 H  HB3  . ASN A 99  ? 0.1516 0.1457 0.0073 -0.0045 0.0083  -0.0088 99   ASN A HB3  
1172 H  HD21 . ASN A 99  ? 0.1659 0.1696 0.0328 0.0133  -0.0074 -0.0184 99   ASN A HD21 
1173 H  HD22 . ASN A 99  ? 0.1661 0.1683 0.0309 0.0127  -0.0080 -0.0205 99   ASN A HD22 
1174 N  N    . HIS A 100 ? 0.1349 0.1259 0.0068 -0.0006 0.0076  -0.0031 100  HIS A N    
1175 C  CA   . HIS A 100 ? 0.1254 0.1244 0.0067 0.0028  0.0072  -0.0003 100  HIS A CA   
1176 C  C    . HIS A 100 ? 0.1192 0.1268 0.0063 -0.0057 0.0016  0.0009  100  HIS A C    
1177 O  O    . HIS A 100 ? 0.1184 0.1293 0.0067 -0.0069 0.0066  0.0016  100  HIS A O    
1178 C  CB   . HIS A 100 ? 0.1241 0.1338 0.0154 0.0032  0.0020  -0.0009 100  HIS A CB   
1179 C  CG   . HIS A 100 ? 0.1280 0.1388 0.0254 0.0057  0.0049  0.0052  100  HIS A CG   
1180 N  ND1  . HIS A 100 ? 0.1210 0.1618 0.0243 0.0061  0.0207  0.0034  100  HIS A ND1  
1181 C  CD2  . HIS A 100 ? 0.1513 0.1448 0.0398 0.0045  0.0173  0.0067  100  HIS A CD2  
1182 C  CE1  . HIS A 100 ? 0.1279 0.1523 0.0255 0.0072  0.0173  0.0043  100  HIS A CE1  
1183 N  NE2  . HIS A 100 ? 0.1596 0.1591 0.0348 0.0138  0.0184  0.0057  100  HIS A NE2  
1184 H  H    . HIS A 100 ? 0.1345 0.1267 0.0068 -0.0002 0.0075  -0.0017 100  HIS A H    
1185 H  HA   . HIS A 100 ? 0.1260 0.1269 0.0065 0.0003  0.0054  -0.0008 100  HIS A HA   
1186 H  HB2  . HIS A 100 ? 0.1253 0.1333 0.0134 0.0035  0.0040  0.0001  100  HIS A HB2  
1187 H  HB3  . HIS A 100 ? 0.1252 0.1327 0.0135 0.0035  0.0039  0.0006  100  HIS A HB3  
1188 H  HD1  . HIS A 100 ? 0.1068 0.1068 0.1068 0.0000  0.0000  0.0000  100  HIS A HD1  
1189 H  HD2  . HIS A 100 ? 0.1457 0.1466 0.0348 0.0067  0.0143  0.0066  100  HIS A HD2  
1190 H  HE1  . HIS A 100 ? 0.1320 0.1564 0.0264 0.0085  0.0188  0.0039  100  HIS A HE1  
1191 H  HE2  . HIS A 100 ? 0.1237 0.1237 0.1237 0.0000  0.0000  0.0000  100  HIS A HE2  
1192 N  N    . VAL A 101 ? 0.1168 0.1336 0.0074 -0.0065 0.0103  -0.0054 101  VAL A N    
1193 C  CA   . VAL A 101 ? 0.1147 0.1302 0.0070 -0.0071 0.0087  -0.0027 101  VAL A CA   
1194 C  C    . VAL A 101 ? 0.1206 0.1289 0.0065 -0.0116 -0.0046 0.0009  101  VAL A C    
1195 O  O    . VAL A 101 ? 0.1300 0.1452 0.0066 -0.0299 -0.0061 0.0006  101  VAL A O    
1196 C  CB   . VAL A 101 ? 0.1281 0.1256 0.0067 0.0031  0.0017  -0.0072 101  VAL A CB   
1197 C  CG1  . VAL A 101 ? 0.1272 0.1285 0.0095 0.0022  0.0015  -0.0130 101  VAL A CG1  
1198 C  CG2  . VAL A 101 ? 0.1380 0.1438 0.0510 -0.0053 -0.0056 -0.0063 101  VAL A CG2  
1199 H  H    . VAL A 101 ? 0.1173 0.1316 0.0069 -0.0060 0.0075  -0.0037 101  VAL A H    
1200 H  HA   . VAL A 101 ? 0.1184 0.1282 0.0066 -0.0063 0.0053  -0.0020 101  VAL A HA   
1201 H  HB   . VAL A 101 ? 0.1263 0.1291 0.0067 -0.0006 0.0025  -0.0069 101  VAL A HB   
1202 H  HG11 . VAL A 101 ? 0.1275 0.1285 0.0084 0.0025  0.0015  -0.0120 101  VAL A HG11 
1203 H  HG12 . VAL A 101 ? 0.1274 0.1276 0.0078 0.0023  0.0015  -0.0115 101  VAL A HG12 
1204 H  HG13 . VAL A 101 ? 0.1277 0.1279 0.0082 0.0024  0.0016  -0.0115 101  VAL A HG13 
1205 H  HG21 . VAL A 101 ? 0.1369 0.1379 0.0354 -0.0030 -0.0036 -0.0070 101  VAL A HG21 
1206 H  HG22 . VAL A 101 ? 0.1379 0.1378 0.0414 -0.0030 -0.0080 -0.0061 101  VAL A HG22 
1207 H  HG23 . VAL A 101 ? 0.1355 0.1401 0.0360 -0.0023 -0.0041 -0.0080 101  VAL A HG23 
1208 N  N    . ARG A 102 ? 0.1145 0.1131 0.0079 -0.0075 -0.0122 -0.0037 102  ARG A N    
1209 C  CA   . ARG A 102 ? 0.1217 0.1046 0.0068 -0.0108 -0.0076 0.0008  102  ARG A CA   
1210 C  C    . ARG A 102 ? 0.1122 0.1095 0.0075 -0.0125 -0.0101 -0.0041 102  ARG A C    
1211 O  O    . ARG A 102 ? 0.1227 0.1160 0.0063 -0.0120 -0.0013 -0.0020 102  ARG A O    
1212 C  CB   . ARG A 102 ? 0.1186 0.1154 0.0064 -0.0078 -0.0031 0.0021  102  ARG A CB   
1213 C  CG   . ARG A 102 ? 0.1135 0.1113 0.0067 -0.0111 0.0048  -0.0050 102  ARG A CG   
1214 C  CD   . ARG A 102 ? 0.1161 0.1108 0.0072 -0.0111 0.0091  -0.0042 102  ARG A CD   
1215 N  NE   . ARG A 102 ? 0.1144 0.1238 0.0069 -0.0134 0.0074  -0.0041 102  ARG A NE   
1216 C  CZ   . ARG A 102 ? 0.1116 0.1341 0.0066 -0.0109 0.0027  -0.0057 102  ARG A CZ   
1217 N  NH1  . ARG A 102 ? 0.1080 0.1442 0.0065 -0.0046 -0.0012 -0.0055 102  ARG A NH1  
1218 N  NH2  . ARG A 102 ? 0.1048 0.1320 0.0063 -0.0133 0.0019  0.0010  102  ARG A NH2  
1219 H  H    . ARG A 102 ? 0.1176 0.1158 0.0072 -0.0087 -0.0095 -0.0022 102  ARG A H    
1220 H  HA   . ARG A 102 ? 0.1175 0.1093 0.0069 -0.0102 -0.0078 -0.0006 102  ARG A HA   
1221 H  HB2  . ARG A 102 ? 0.1184 0.1121 0.0063 -0.0095 -0.0024 0.0003  102  ARG A HB2  
1222 H  HB3  . ARG A 102 ? 0.1182 0.1120 0.0063 -0.0093 -0.0023 0.0002  102  ARG A HB3  
1223 H  HG2  . ARG A 102 ? 0.1148 0.1119 0.0065 -0.0101 0.0042  -0.0035 102  ARG A HG2  
1224 H  HG3  . ARG A 102 ? 0.1152 0.1123 0.0065 -0.0102 0.0039  -0.0034 102  ARG A HG3  
1225 H  HD2  . ARG A 102 ? 0.1146 0.1136 0.0070 -0.0114 0.0081  -0.0046 102  ARG A HD2  
1226 H  HD3  . ARG A 102 ? 0.1147 0.1137 0.0070 -0.0119 0.0079  -0.0039 102  ARG A HD3  
1227 H  HE   . ARG A 102 ? 0.1137 0.1229 0.0068 -0.0126 0.0069  -0.0043 102  ARG A HE   
1228 H  HH11 . ARG A 102 ? 0.1081 0.1405 0.0065 -0.0069 -0.0005 -0.0055 102  ARG A HH11 
1229 H  HH12 . ARG A 102 ? 0.1090 0.1410 0.0065 -0.0066 -0.0002 -0.0047 102  ARG A HH12 
1230 H  HH21 . ARG A 102 ? 0.1067 0.1327 0.0063 -0.0127 0.0021  -0.0005 102  ARG A HH21 
1231 H  HH22 . ARG A 102 ? 0.1059 0.1324 0.0064 -0.0129 0.0027  -0.0007 102  ARG A HH22 
1232 N  N    . ILE A 103 ? 0.1076 0.1106 0.0065 -0.0093 -0.0022 -0.0032 103  ILE A N    
1233 C  CA   . ILE A 103 ? 0.1079 0.1122 0.0063 -0.0046 -0.0008 0.0020  103  ILE A CA   
1234 C  C    . ILE A 103 ? 0.1088 0.1024 0.0063 -0.0009 0.0004  0.0007  103  ILE A C    
1235 O  O    . ILE A 103 ? 0.1192 0.1134 0.0066 -0.0054 -0.0004 0.0055  103  ILE A O    
1236 C  CB   . ILE A 103 ? 0.1234 0.1183 0.0064 -0.0010 -0.0034 0.0022  103  ILE A CB   
1237 C  CG1  . ILE A 103 ? 0.1313 0.1311 0.0070 0.0050  -0.0079 -0.0051 103  ILE A CG1  
1238 C  CG2  . ILE A 103 ? 0.1222 0.1360 0.0065 -0.0023 -0.0025 -0.0038 103  ILE A CG2  
1239 C  CD1  . ILE A 103 ? 0.1342 0.1418 0.0073 0.0107  -0.0093 -0.0073 103  ILE A CD1  
1240 H  H    . ILE A 103 ? 0.1085 0.1105 0.0065 -0.0092 -0.0037 -0.0021 103  ILE A H    
1241 H  HA   . ILE A 103 ? 0.1098 0.1110 0.0063 -0.0049 -0.0006 0.0010  103  ILE A HA   
1242 H  HB   . ILE A 103 ? 0.1208 0.1218 0.0064 -0.0013 -0.0032 0.0001  103  ILE A HB   
1243 H  HG12 . ILE A 103 ? 0.1303 0.1305 0.0069 0.0051  -0.0074 -0.0041 103  ILE A HG12 
1244 H  HG13 . ILE A 103 ? 0.1300 0.1302 0.0068 0.0046  -0.0072 -0.0038 103  ILE A HG13 
1245 H  HG21 . ILE A 103 ? 0.1233 0.1310 0.0064 -0.0014 -0.0030 -0.0023 103  ILE A HG21 
1246 H  HG22 . ILE A 103 ? 0.1229 0.1309 0.0064 -0.0016 -0.0026 -0.0018 103  ILE A HG22 
1247 H  HG23 . ILE A 103 ? 0.1236 0.1312 0.0064 -0.0020 -0.0022 -0.0025 103  ILE A HG23 
1248 H  HD11 . ILE A 103 ? 0.1333 0.1388 0.0072 0.0090  -0.0089 -0.0066 103  ILE A HD11 
1249 H  HD12 . ILE A 103 ? 0.1338 0.1395 0.0073 0.0096  -0.0092 -0.0070 103  ILE A HD12 
1250 H  HD13 . ILE A 103 ? 0.1334 0.1394 0.0071 0.0093  -0.0088 -0.0063 103  ILE A HD13 
1251 N  N    . PRO A 104 ? 0.1102 0.1152 0.0068 -0.0065 0.0026  -0.0068 104  PRO A N    
1252 C  CA   . PRO A 104 ? 0.1092 0.1197 0.0070 -0.0064 0.0078  -0.0039 104  PRO A CA   
1253 C  C    . PRO A 104 ? 0.1138 0.1262 0.0085 0.0043  0.0097  -0.0122 104  PRO A C    
1254 O  O    . PRO A 104 ? 0.1236 0.1278 0.0074 0.0048  -0.0026 -0.0113 104  PRO A O    
1255 C  CB   . PRO A 104 ? 0.1020 0.1284 0.0066 -0.0079 0.0056  0.0000  104  PRO A CB   
1256 C  CG   . PRO A 104 ? 0.1023 0.1285 0.0066 -0.0033 0.0032  -0.0046 104  PRO A CG   
1257 C  CD   . PRO A 104 ? 0.1153 0.1264 0.0067 -0.0060 0.0022  -0.0065 104  PRO A CD   
1258 H  HA   . PRO A 104 ? 0.1089 0.1215 0.0069 -0.0046 0.0067  -0.0052 104  PRO A HA   
1259 H  HB2  . PRO A 104 ? 0.1038 0.1265 0.0066 -0.0064 0.0056  -0.0021 104  PRO A HB2  
1260 H  HB3  . PRO A 104 ? 0.1041 0.1268 0.0066 -0.0064 0.0057  -0.0020 104  PRO A HB3  
1261 H  HG2  . PRO A 104 ? 0.1049 0.1280 0.0065 -0.0048 0.0035  -0.0040 104  PRO A HG2  
1262 H  HG3  . PRO A 104 ? 0.1038 0.1279 0.0065 -0.0044 0.0034  -0.0039 104  PRO A HG3  
1263 H  HD2  . PRO A 104 ? 0.1128 0.1241 0.0066 -0.0054 0.0026  -0.0059 104  PRO A HD2  
1264 H  HD3  . PRO A 104 ? 0.1116 0.1245 0.0066 -0.0058 0.0024  -0.0058 104  PRO A HD3  
1265 N  N    . ILE A 105 ? 0.1132 0.1213 0.0067 0.0128  0.0014  -0.0067 105  ILE A N    
1266 C  CA   . ILE A 105 ? 0.1273 0.1181 0.0066 0.0021  -0.0042 -0.0038 105  ILE A CA   
1267 C  C    . ILE A 105 ? 0.1184 0.1134 0.0068 0.0065  -0.0057 -0.0049 105  ILE A C    
1268 O  O    . ILE A 105 ? 0.1134 0.1286 0.0079 0.0049  -0.0035 -0.0137 105  ILE A O    
1269 C  CB   . ILE A 105 ? 0.1644 0.1308 0.0063 0.0045  0.0028  -0.0001 105  ILE A CB   
1270 C  CG1  . ILE A 105 ? 0.2176 0.1362 0.0383 0.0105  -0.0012 -0.0021 105  ILE A CG1  
1271 C  CG2  . ILE A 105 ? 0.1760 0.1384 0.0067 0.0068  0.0074  0.0033  105  ILE A CG2  
1272 C  CD1  . ILE A 105 ? 0.2364 0.1621 0.0522 0.0101  -0.0107 -0.0023 105  ILE A CD1  
1273 H  H    . ILE A 105 ? 0.1144 0.1216 0.0068 0.0085  0.0021  -0.0073 105  ILE A H    
1274 H  HA   . ILE A 105 ? 0.1279 0.1195 0.0065 0.0055  -0.0023 -0.0042 105  ILE A HA   
1275 H  HB   . ILE A 105 ? 0.1621 0.1291 0.0063 0.0053  0.0014  -0.0007 105  ILE A HB   
1276 H  HG12 . ILE A 105 ? 0.2037 0.1402 0.0258 0.0100  -0.0020 -0.0009 105  ILE A HG12 
1277 H  HG13 . ILE A 105 ? 0.2058 0.1386 0.0269 0.0093  -0.0050 -0.0019 105  ILE A HG13 
1278 H  HG21 . ILE A 105 ? 0.1723 0.1372 0.0066 0.0069  0.0065  0.0028  105  ILE A HG21 
1279 H  HG22 . ILE A 105 ? 0.1720 0.1368 0.0065 0.0059  0.0062  0.0021  105  ILE A HG22 
1280 H  HG23 . ILE A 105 ? 0.1725 0.1365 0.0065 0.0062  0.0062  0.0019  105  ILE A HG23 
1281 H  HD11 . ILE A 105 ? 0.2322 0.1539 0.0481 0.0104  -0.0094 -0.0021 105  ILE A HD11 
1282 H  HD12 . ILE A 105 ? 0.2309 0.1554 0.0476 0.0110  -0.0074 -0.0011 105  ILE A HD12 
1283 H  HD13 . ILE A 105 ? 0.2312 0.1565 0.0473 0.0086  -0.0078 -0.0020 105  ILE A HD13 
1284 N  N    . GLY A 106 ? 0.1159 0.1105 0.0073 0.0027  -0.0080 -0.0067 106  GLY A N    
1285 C  CA   . GLY A 106 ? 0.1210 0.1182 0.0067 -0.0049 -0.0063 -0.0019 106  GLY A CA   
1286 C  C    . GLY A 106 ? 0.1183 0.1160 0.0070 -0.0096 -0.0086 0.0030  106  GLY A C    
1287 O  O    . GLY A 106 ? 0.1344 0.1221 0.0076 -0.0029 -0.0100 0.0076  106  GLY A O    
1288 H  H    . GLY A 106 ? 0.1168 0.1129 0.0070 0.0021  -0.0072 -0.0052 106  GLY A H    
1289 H  HA2  . GLY A 106 ? 0.1196 0.1161 0.0068 -0.0043 -0.0068 -0.0023 106  GLY A HA2  
1290 H  HA3  . GLY A 106 ? 0.1187 0.1158 0.0067 -0.0039 -0.0066 -0.0022 106  GLY A HA3  
1291 N  N    . TYR A 107 ? 0.1132 0.1180 0.0063 -0.0143 0.0000  -0.0012 107  TYR A N    
1292 C  CA   . TYR A 107 ? 0.1146 0.1166 0.0065 -0.0167 -0.0015 -0.0037 107  TYR A CA   
1293 C  C    . TYR A 107 ? 0.1263 0.1073 0.0072 -0.0106 0.0019  -0.0094 107  TYR A C    
1294 O  O    . TYR A 107 ? 0.1535 0.1287 0.0070 -0.0079 0.0021  -0.0092 107  TYR A O    
1295 C  CB   . TYR A 107 ? 0.1218 0.1151 0.0072 -0.0169 -0.0061 -0.0067 107  TYR A CB   
1296 C  CG   . TYR A 107 ? 0.1251 0.1180 0.0073 -0.0162 -0.0053 -0.0087 107  TYR A CG   
1297 C  CD1  . TYR A 107 ? 0.1344 0.1300 0.0076 -0.0097 -0.0055 -0.0108 107  TYR A CD1  
1298 C  CD2  . TYR A 107 ? 0.1298 0.1143 0.0077 -0.0152 0.0013  -0.0122 107  TYR A CD2  
1299 C  CE1  . TYR A 107 ? 0.1340 0.1262 0.0078 -0.0044 -0.0050 -0.0126 107  TYR A CE1  
1300 C  CE2  . TYR A 107 ? 0.1380 0.1269 0.0072 -0.0084 -0.0001 -0.0107 107  TYR A CE2  
1301 C  CZ   . TYR A 107 ? 0.1447 0.1357 0.0080 -0.0036 -0.0013 -0.0150 107  TYR A CZ   
1302 O  OH   . TYR A 107 ? 0.1462 0.1297 0.0099 0.0029  -0.0012 -0.0212 107  TYR A OH   
1303 H  H    . TYR A 107 ? 0.1149 0.1173 0.0063 -0.0138 -0.0021 -0.0010 107  TYR A H    
1304 H  HA   . TYR A 107 ? 0.1180 0.1151 0.0065 -0.0152 -0.0020 -0.0043 107  TYR A HA   
1305 H  HB2  . TYR A 107 ? 0.1210 0.1162 0.0070 -0.0166 -0.0049 -0.0065 107  TYR A HB2  
1306 H  HB3  . TYR A 107 ? 0.1210 0.1161 0.0070 -0.0165 -0.0049 -0.0064 107  TYR A HB3  
1307 H  HD1  . TYR A 107 ? 0.1324 0.1263 0.0076 -0.0099 -0.0052 -0.0109 107  TYR A HD1  
1308 H  HD2  . TYR A 107 ? 0.1306 0.1173 0.0074 -0.0134 -0.0007 -0.0109 107  TYR A HD2  
1309 H  HE1  . TYR A 107 ? 0.1366 0.1277 0.0078 -0.0051 -0.0042 -0.0126 107  TYR A HE1  
1310 H  HE2  . TYR A 107 ? 0.1371 0.1247 0.0073 -0.0091 0.0000  -0.0107 107  TYR A HE2  
1311 H  HH   . TYR A 107 ? 0.0960 0.0960 0.0960 0.0000  0.0000  0.0000  107  TYR A HH   
1312 N  N    . TRP A 108 ? 0.1316 0.1093 0.0067 -0.0024 0.0028  -0.0060 108  TRP A N    
1313 C  CA   . TRP A 108 ? 0.1301 0.1183 0.0065 -0.0011 -0.0016 -0.0040 108  TRP A CA   
1314 C  C    . TRP A 108 ? 0.1319 0.1259 0.0070 0.0018  -0.0017 -0.0089 108  TRP A C    
1315 O  O    . TRP A 108 ? 0.1414 0.1272 0.0086 0.0092  -0.0056 -0.0163 108  TRP A O    
1316 C  CB   . TRP A 108 ? 0.1238 0.1228 0.0064 0.0013  0.0014  -0.0024 108  TRP A CB   
1317 C  CG   . TRP A 108 ? 0.1228 0.1225 0.0064 0.0043  0.0001  -0.0039 108  TRP A CG   
1318 C  CD1  . TRP A 108 ? 0.1246 0.1281 0.0068 0.0015  -0.0080 -0.0004 108  TRP A CD1  
1319 C  CD2  . TRP A 108 ? 0.1260 0.1248 0.0066 0.0077  0.0010  -0.0060 108  TRP A CD2  
1320 N  NE1  . TRP A 108 ? 0.1188 0.1277 0.0071 0.0010  -0.0037 -0.0090 108  TRP A NE1  
1321 C  CE2  . TRP A 108 ? 0.1215 0.1276 0.0070 0.0092  -0.0007 -0.0092 108  TRP A CE2  
1322 C  CE3  . TRP A 108 ? 0.1359 0.1333 0.0072 0.0070  -0.0016 -0.0105 108  TRP A CE3  
1323 C  CZ2  . TRP A 108 ? 0.1402 0.1382 0.0064 0.0096  0.0026  -0.0033 108  TRP A CZ2  
1324 C  CZ3  . TRP A 108 ? 0.1529 0.1349 0.0077 0.0089  -0.0047 -0.0129 108  TRP A CZ3  
1325 C  CH2  . TRP A 108 ? 0.1404 0.1403 0.0063 0.0085  -0.0002 0.0004  108  TRP A CH2  
1326 H  H    . TRP A 108 ? 0.1296 0.1107 0.0066 -0.0040 0.0014  -0.0056 108  TRP A H    
1327 H  HA   . TRP A 108 ? 0.1297 0.1184 0.0065 -0.0005 -0.0002 -0.0050 108  TRP A HA   
1328 H  HB2  . TRP A 108 ? 0.1252 0.1217 0.0064 0.0015  0.0004  -0.0031 108  TRP A HB2  
1329 H  HB3  . TRP A 108 ? 0.1255 0.1218 0.0064 0.0016  0.0008  -0.0029 108  TRP A HB3  
1330 H  HD1  . TRP A 108 ? 0.1225 0.1263 0.0066 0.0029  -0.0055 -0.0029 108  TRP A HD1  
1331 H  HE1  . TRP A 108 ? 0.1200 0.1274 0.0068 0.0024  -0.0039 -0.0071 108  TRP A HE1  
1332 H  HE3  . TRP A 108 ? 0.1369 0.1313 0.0070 0.0073  -0.0015 -0.0097 108  TRP A HE3  
1333 H  HZ2  . TRP A 108 ? 0.1357 0.1364 0.0064 0.0099  0.0009  -0.0040 108  TRP A HZ2  
1334 H  HZ3  . TRP A 108 ? 0.1471 0.1354 0.0070 0.0080  -0.0021 -0.0092 108  TRP A HZ3  
1335 H  HH2  . TRP A 108 ? 0.1428 0.1372 0.0064 0.0090  -0.0007 -0.0032 108  TRP A HH2  
1336 N  N    . ALA A 109 ? 0.1362 0.1178 0.0076 -0.0061 -0.0127 -0.0010 109  ALA A N    
1337 C  CA   . ALA A 109 ? 0.1388 0.1349 0.0077 -0.0092 -0.0108 -0.0075 109  ALA A CA   
1338 C  C    . ALA A 109 ? 0.1385 0.1343 0.0074 0.0069  -0.0119 -0.0001 109  ALA A C    
1339 O  O    . ALA A 109 ? 0.1396 0.1464 0.0077 -0.0004 -0.0138 0.0006  109  ALA A O    
1340 C  CB   . ALA A 109 ? 0.1460 0.1264 0.0073 -0.0087 -0.0113 -0.0026 109  ALA A CB   
1341 H  H    . ALA A 109 ? 0.1351 0.1212 0.0072 -0.0038 -0.0099 -0.0035 109  ALA A H    
1342 H  HA   . ALA A 109 ? 0.1398 0.1297 0.0074 -0.0055 -0.0114 -0.0040 109  ALA A HA   
1343 H  HB1  . ALA A 109 ? 0.1441 0.1288 0.0073 -0.0089 -0.0109 -0.0039 109  ALA A HB1  
1344 H  HB2  . ALA A 109 ? 0.1438 0.1284 0.0073 -0.0092 -0.0108 -0.0035 109  ALA A HB2  
1345 H  HB3  . ALA A 109 ? 0.1445 0.1289 0.0074 -0.0091 -0.0111 -0.0039 109  ALA A HB3  
1346 N  N    . LEU A 110 ? 0.1414 0.1376 0.0069 0.0024  -0.0077 0.0046  110  LEU A N    
1347 C  CA   . LEU A 110 ? 0.1621 0.1454 0.0064 0.0016  0.0000  0.0041  110  LEU A CA   
1348 C  C    . LEU A 110 ? 0.1631 0.1505 0.0063 0.0039  0.0020  0.0015  110  LEU A C    
1349 O  O    . LEU A 110 ? 0.2047 0.1601 0.0312 -0.0185 0.0074  -0.0053 110  LEU A O    
1350 C  CB   . LEU A 110 ? 0.1749 0.1648 0.0065 0.0007  0.0058  -0.0027 110  LEU A CB   
1351 C  CG   . LEU A 110 ? 0.2142 0.1827 0.0103 0.0104  -0.0006 -0.0138 110  LEU A CG   
1352 C  CD1  . LEU A 110 ? 0.2077 0.1692 0.0301 -0.0027 -0.0051 -0.0039 110  LEU A CD1  
1353 C  CD2  . LEU A 110 ? 0.1950 0.1775 0.0146 -0.0040 -0.0345 -0.0175 110  LEU A CD2  
1354 H  H    . LEU A 110 ? 0.1439 0.1376 0.0069 0.0036  -0.0079 0.0036  110  LEU A H    
1355 H  HA   . LEU A 110 ? 0.1597 0.1477 0.0063 0.0021  -0.0004 0.0024  110  LEU A HA   
1356 H  HB2  . LEU A 110 ? 0.1770 0.1620 0.0063 0.0025  0.0019  -0.0024 110  LEU A HB2  
1357 H  HB3  . LEU A 110 ? 0.1770 0.1611 0.0064 0.0013  0.0040  -0.0014 110  LEU A HB3  
1358 H  HG   . LEU A 110 ? 0.2036 0.1742 0.0071 0.0040  -0.0070 -0.0102 110  LEU A HG   
1359 H  HD11 . LEU A 110 ? 0.2093 0.1717 0.0253 0.0006  -0.0044 -0.0072 110  LEU A HD11 
1360 H  HD12 . LEU A 110 ? 0.2088 0.1728 0.0254 0.0009  -0.0043 -0.0068 110  LEU A HD12 
1361 H  HD13 . LEU A 110 ? 0.2098 0.1728 0.0293 0.0007  -0.0058 -0.0061 110  LEU A HD13 
1362 H  HD21 . LEU A 110 ? 0.1974 0.1769 0.0114 0.0013  -0.0266 -0.0158 110  LEU A HD21 
1363 H  HD22 . LEU A 110 ? 0.1978 0.1778 0.0114 0.0001  -0.0258 -0.0165 110  LEU A HD22 
1364 H  HD23 . LEU A 110 ? 0.1984 0.1763 0.0115 0.0000  -0.0260 -0.0170 110  LEU A HD23 
1365 N  N    . GLY A 111 ? 0.1694 0.1417 0.0103 0.0091  0.0105  0.0076  111  GLY A N    
1366 C  CA   . GLY A 111 ? 0.1748 0.1545 0.0137 0.0097  0.0041  -0.0058 111  GLY A CA   
1367 C  C    . GLY A 111 ? 0.1765 0.1455 0.0173 0.0129  -0.0093 -0.0114 111  GLY A C    
1368 O  O    . GLY A 111 ? 0.1802 0.1673 0.0275 0.0149  0.0008  -0.0331 111  GLY A O    
1369 H  H    . GLY A 111 ? 0.1672 0.1444 0.0079 0.0066  0.0074  0.0043  111  GLY A H    
1370 H  HA2  . GLY A 111 ? 0.1751 0.1493 0.0140 0.0100  0.0027  -0.0041 111  GLY A HA2  
1371 H  HA3  . GLY A 111 ? 0.1746 0.1497 0.0140 0.0103  0.0025  -0.0039 111  GLY A HA3  
1372 N  N    . PRO A 112 ? 0.1906 0.1445 0.0220 0.0118  -0.0094 -0.0206 112  PRO A N    
1373 C  CA   . PRO A 112 ? 0.1879 0.1356 0.0163 0.0080  0.0025  -0.0094 112  PRO A CA   
1374 C  C    . PRO A 112 ? 0.1964 0.1347 0.0080 0.0060  0.0108  -0.0114 112  PRO A C    
1375 O  O    . PRO A 112 ? 0.2276 0.1298 0.0233 0.0048  -0.0114 -0.0126 112  PRO A O    
1376 C  CB   . PRO A 112 ? 0.1929 0.1344 0.0411 0.0146  0.0007  -0.0188 112  PRO A CB   
1377 C  CG   . PRO A 112 ? 0.1886 0.1360 0.0477 0.0151  -0.0070 -0.0141 112  PRO A CG   
1378 C  CD   . PRO A 112 ? 0.1866 0.1281 0.0319 0.0117  -0.0119 -0.0227 112  PRO A CD   
1379 H  HA   . PRO A 112 ? 0.1905 0.1359 0.0193 0.0100  0.0014  -0.0131 112  PRO A HA   
1380 H  HB2  . PRO A 112 ? 0.1907 0.1343 0.0371 0.0134  -0.0005 -0.0160 112  PRO A HB2  
1381 H  HB3  . PRO A 112 ? 0.1908 0.1357 0.0402 0.0134  -0.0009 -0.0174 112  PRO A HB3  
1382 H  HG2  . PRO A 112 ? 0.1888 0.1338 0.0422 0.0143  -0.0063 -0.0172 112  PRO A HG2  
1383 H  HG3  . PRO A 112 ? 0.1890 0.1344 0.0422 0.0142  -0.0064 -0.0173 112  PRO A HG3  
1384 H  HD2  . PRO A 112 ? 0.1877 0.1318 0.0320 0.0127  -0.0105 -0.0203 112  PRO A HD2  
1385 H  HD3  . PRO A 112 ? 0.1873 0.1309 0.0300 0.0119  -0.0107 -0.0224 112  PRO A HD3  
1386 N  N    . LEU A 113 ? 0.1870 0.1361 0.0144 0.0014  0.0126  -0.0098 113  LEU A N    
1387 C  CA   . LEU A 113 ? 0.1973 0.1368 0.0216 -0.0086 0.0126  -0.0177 113  LEU A CA   
1388 C  C    . LEU A 113 ? 0.2131 0.1427 0.0226 -0.0133 0.0255  -0.0303 113  LEU A C    
1389 O  O    . LEU A 113 ? 0.2259 0.1398 0.0308 -0.0034 0.0356  -0.0294 113  LEU A O    
1390 C  CB   . LEU A 113 ? 0.2083 0.1321 0.0637 -0.0138 -0.0133 -0.0226 113  LEU A CB   
1391 C  CG   . LEU A 113 ? 0.2137 0.1369 0.1224 0.0015  0.0005  -0.0062 113  LEU A CG   
1392 C  CD1  . LEU A 113 ? 0.2079 0.1611 0.1566 -0.0004 0.0013  -0.0093 113  LEU A CD1  
1393 C  CD2  . LEU A 113 ? 0.2165 0.1728 0.1439 0.0093  0.0220  -0.0303 113  LEU A CD2  
1394 H  H    . LEU A 113 ? 0.1915 0.1351 0.0143 0.0005  0.0117  -0.0116 113  LEU A H    
1395 H  HA   . LEU A 113 ? 0.1997 0.1359 0.0245 -0.0087 0.0123  -0.0169 113  LEU A HA   
1396 H  HB2  . LEU A 113 ? 0.2060 0.1353 0.0644 -0.0086 -0.0049 -0.0205 113  LEU A HB2  
1397 H  HB3  . LEU A 113 ? 0.2050 0.1304 0.0610 -0.0118 -0.0048 -0.0207 113  LEU A HB3  
1398 H  HG   . LEU A 113 ? 0.2115 0.1462 0.1133 0.0005  0.0022  -0.0129 113  LEU A HG   
1399 H  HD11 . LEU A 113 ? 0.2112 0.1552 0.1466 -0.0006 -0.0001 -0.0073 113  LEU A HD11 
1400 H  HD12 . LEU A 113 ? 0.2111 0.1545 0.1460 0.0009  0.0009  -0.0079 113  LEU A HD12 
1401 H  HD13 . LEU A 113 ? 0.2114 0.1542 0.1467 0.0009  -0.0008 -0.0096 113  LEU A HD13 
1402 H  HD21 . LEU A 113 ? 0.2183 0.1614 0.1376 0.0055  0.0189  -0.0239 113  LEU A HD21 
1403 H  HD22 . LEU A 113 ? 0.2169 0.1633 0.1376 0.0083  0.0172  -0.0213 113  LEU A HD22 
1404 H  HD23 . LEU A 113 ? 0.2151 0.1604 0.1364 0.0079  0.0171  -0.0232 113  LEU A HD23 
1405 N  N    . GLU A 114 ? 0.2508 0.1500 0.0466 -0.0208 0.0655  -0.0321 114  GLU A N    
1406 C  CA   . GLU A 114 ? 0.2944 0.1511 0.0534 -0.0163 0.0656  -0.0368 114  GLU A CA   
1407 C  C    . GLU A 114 ? 0.2738 0.1463 0.0356 -0.0232 0.0488  -0.0508 114  GLU A C    
1408 O  O    . GLU A 114 ? 0.2707 0.1670 0.0982 -0.0219 0.0163  -0.0356 114  GLU A O    
1409 C  CB   . GLU A 114 ? 0.3366 0.1946 0.1186 -0.0389 0.0738  -0.0322 114  GLU A CB   
1410 C  CG   . GLU A 114 ? 0.3952 0.2549 0.1266 -0.0252 0.0574  -0.0453 114  GLU A CG   
1411 C  CD   . GLU A 114 ? 0.4307 0.2383 0.1687 0.0062  0.0378  -0.0475 114  GLU A CD   
1412 O  OE1  . GLU A 114 ? 0.5128 0.2427 0.1879 0.0065  -0.0095 -0.0594 114  GLU A OE1  
1413 O  OE2  . GLU A 114 ? 0.4730 0.2491 0.0873 0.0280  -0.0116 -0.0718 114  GLU A OE2  
1414 H  H    . GLU A 114 ? 0.2440 0.1481 0.0399 -0.0183 0.0551  -0.0320 114  GLU A H    
1415 H  HA   . GLU A 114 ? 0.2859 0.1551 0.0558 -0.0222 0.0635  -0.0386 114  GLU A HA   
1416 H  HB2  . GLU A 114 ? 0.3339 0.1925 0.1068 -0.0296 0.0678  -0.0396 114  GLU A HB2  
1417 H  HB3  . GLU A 114 ? 0.3344 0.1905 0.0994 -0.0310 0.0690  -0.0368 114  GLU A HB3  
1418 H  HG2  . GLU A 114 ? 0.3876 0.2352 0.1327 -0.0206 0.0584  -0.0419 114  GLU A HG2  
1419 H  HG3  . GLU A 114 ? 0.3846 0.2340 0.1331 -0.0215 0.0571  -0.0432 114  GLU A HG3  
1420 N  N    . GLY A 115 ? 0.2748 0.1583 0.0512 -0.0352 0.0555  -0.0710 115  GLY A N    
1421 C  CA   . GLY A 115 ? 0.2658 0.1689 0.0409 -0.0289 0.0390  -0.0645 115  GLY A CA   
1422 C  C    . GLY A 115 ? 0.2315 0.1701 0.0304 -0.0275 0.0295  -0.0508 115  GLY A C    
1423 O  O    . GLY A 115 ? 0.2951 0.1916 0.0415 -0.0389 0.0622  -0.0487 115  GLY A O    
1424 H  H    . GLY A 115 ? 0.2750 0.1587 0.0470 -0.0319 0.0524  -0.0652 115  GLY A H    
1425 H  HA2  . GLY A 115 ? 0.2603 0.1674 0.0408 -0.0307 0.0402  -0.0623 115  GLY A HA2  
1426 H  HA3  . GLY A 115 ? 0.2600 0.1670 0.0412 -0.0299 0.0408  -0.0622 115  GLY A HA3  
1427 N  N    . ASP A 116 ? 0.1617 0.1336 0.0111 -0.0065 0.0140  -0.0219 116  ASP A N    
1428 C  CA   . ASP A 116 ? 0.1604 0.1374 0.0108 0.0015  0.0112  -0.0217 116  ASP A CA   
1429 C  C    . ASP A 116 ? 0.1644 0.1328 0.0168 0.0047  0.0007  -0.0245 116  ASP A C    
1430 O  O    . ASP A 116 ? 0.1692 0.1442 0.0436 0.0086  -0.0009 -0.0074 116  ASP A O    
1431 C  CB   . ASP A 116 ? 0.1490 0.1464 0.0119 0.0014  0.0078  -0.0267 116  ASP A CB   
1432 C  CG   . ASP A 116 ? 0.1618 0.1448 0.0085 0.0116  0.0062  -0.0157 116  ASP A CG   
1433 O  OD1  . ASP A 116 ? 0.1772 0.2242 0.0149 0.0075  0.0051  -0.0324 116  ASP A OD1  
1434 O  OD2  . ASP A 116 ? 0.1598 0.1475 0.0249 0.0113  0.0218  -0.0224 116  ASP A OD2  
1435 H  H    . ASP A 116 ? 0.1726 0.1401 0.0127 -0.0093 0.0181  -0.0254 116  ASP A H    
1436 H  HA   . ASP A 116 ? 0.1593 0.1380 0.0108 0.0006  0.0088  -0.0230 116  ASP A HA   
1437 H  HB2  . ASP A 116 ? 0.1546 0.1447 0.0113 0.0033  0.0089  -0.0247 116  ASP A HB2  
1438 H  HB3  . ASP A 116 ? 0.1542 0.1434 0.0109 0.0033  0.0083  -0.0235 116  ASP A HB3  
1439 N  N    . PRO A 117 ? 0.1402 0.1362 0.0133 0.0043  -0.0029 -0.0244 117  PRO A N    
1440 C  CA   . PRO A 117 ? 0.1448 0.1416 0.0105 0.0115  0.0033  -0.0232 117  PRO A CA   
1441 C  C    . PRO A 117 ? 0.1396 0.1306 0.0101 0.0105  0.0027  -0.0181 117  PRO A C    
1442 O  O    . PRO A 117 ? 0.1364 0.1492 0.0215 0.0128  0.0060  -0.0080 117  PRO A O    
1443 C  CB   . PRO A 117 ? 0.1452 0.1467 0.0105 0.0082  0.0032  -0.0217 117  PRO A CB   
1444 C  CG   . PRO A 117 ? 0.1432 0.1462 0.0092 0.0050  -0.0047 -0.0196 117  PRO A CG   
1445 C  CD   . PRO A 117 ? 0.1463 0.1493 0.0115 0.0037  -0.0062 -0.0217 117  PRO A CD   
1446 H  HA   . PRO A 117 ? 0.1432 0.1393 0.0110 0.0093  0.0019  -0.0222 117  PRO A HA   
1447 H  HB2  . PRO A 117 ? 0.1449 0.1456 0.0097 0.0084  0.0014  -0.0214 117  PRO A HB2  
1448 H  HB3  . PRO A 117 ? 0.1458 0.1457 0.0098 0.0079  0.0011  -0.0215 117  PRO A HB3  
1449 H  HG2  . PRO A 117 ? 0.1443 0.1468 0.0093 0.0054  -0.0033 -0.0205 117  PRO A HG2  
1450 H  HG3  . PRO A 117 ? 0.1443 0.1469 0.0091 0.0055  -0.0035 -0.0198 117  PRO A HG3  
1451 H  HD2  . PRO A 117 ? 0.1453 0.1458 0.0110 0.0035  -0.0052 -0.0217 117  PRO A HD2  
1452 H  HD3  . PRO A 117 ? 0.1445 0.1458 0.0114 0.0043  -0.0047 -0.0215 117  PRO A HD3  
1453 N  N    . TYR A 118 ? 0.1287 0.1230 0.0085 0.0034  -0.0028 -0.0154 118  TYR A N    
1454 C  CA   . TYR A 118 ? 0.1267 0.1240 0.0088 -0.0028 -0.0065 -0.0158 118  TYR A CA   
1455 C  C    . TYR A 118 ? 0.1370 0.1214 0.0097 0.0008  -0.0071 -0.0147 118  TYR A C    
1456 O  O    . TYR A 118 ? 0.1608 0.1252 0.0078 0.0010  -0.0017 -0.0132 118  TYR A O    
1457 C  CB   . TYR A 118 ? 0.1342 0.1275 0.0296 0.0011  -0.0021 -0.0167 118  TYR A CB   
1458 C  CG   . TYR A 118 ? 0.1314 0.1266 0.0084 -0.0039 0.0049  -0.0153 118  TYR A CG   
1459 C  CD1  . TYR A 118 ? 0.1350 0.1309 0.0135 -0.0065 0.0032  -0.0059 118  TYR A CD1  
1460 C  CD2  . TYR A 118 ? 0.1331 0.1277 0.0093 -0.0034 0.0028  -0.0190 118  TYR A CD2  
1461 C  CE1  . TYR A 118 ? 0.1343 0.1288 0.0109 -0.0054 0.0046  -0.0047 118  TYR A CE1  
1462 C  CE2  . TYR A 118 ? 0.1415 0.1270 0.0073 -0.0071 -0.0020 -0.0109 118  TYR A CE2  
1463 C  CZ   . TYR A 118 ? 0.1323 0.1301 0.0064 0.0010  -0.0034 -0.0024 118  TYR A CZ   
1464 O  OH   . TYR A 118 ? 0.1407 0.1507 0.0144 0.0052  -0.0073 0.0152  118  TYR A OH   
1465 H  H    . TYR A 118 ? 0.1299 0.1251 0.0086 0.0034  -0.0027 -0.0164 118  TYR A H    
1466 H  HA   . TYR A 118 ? 0.1300 0.1231 0.0102 -0.0008 -0.0051 -0.0155 118  TYR A HA   
1467 H  HB2  . TYR A 118 ? 0.1321 0.1279 0.0176 -0.0001 -0.0016 -0.0164 118  TYR A HB2  
1468 H  HB3  . TYR A 118 ? 0.1319 0.1287 0.0210 0.0000  -0.0004 -0.0132 118  TYR A HB3  
1469 H  HD1  . TYR A 118 ? 0.1342 0.1293 0.0102 -0.0054 0.0039  -0.0081 118  TYR A HD1  
1470 H  HD2  . TYR A 118 ? 0.1348 0.1283 0.0085 -0.0039 0.0019  -0.0165 118  TYR A HD2  
1471 H  HE1  . TYR A 118 ? 0.1339 0.1291 0.0080 -0.0043 0.0023  -0.0043 118  TYR A HE1  
1472 H  HE2  . TYR A 118 ? 0.1379 0.1280 0.0073 -0.0041 -0.0010 -0.0107 118  TYR A HE2  
1473 H  HH   . TYR A 118 ? 0.1057 0.1057 0.1057 0.0000  0.0000  0.0000  118  TYR A HH   
1474 N  N    . VAL A 119 ? 0.1554 0.1193 0.0087 -0.0029 -0.0120 -0.0127 119  VAL A N    
1475 C  CA   . VAL A 119 ? 0.1544 0.1353 0.0089 0.0068  -0.0101 -0.0163 119  VAL A CA   
1476 C  C    . VAL A 119 ? 0.1594 0.1274 0.0067 0.0047  0.0049  -0.0057 119  VAL A C    
1477 O  O    . VAL A 119 ? 0.1642 0.1379 0.0063 0.0199  0.0000  -0.0021 119  VAL A O    
1478 C  CB   . VAL A 119 ? 0.1492 0.1503 0.0098 0.0160  -0.0163 -0.0171 119  VAL A CB   
1479 C  CG1  . VAL A 119 ? 0.1597 0.1601 0.0154 0.0193  -0.0084 -0.0177 119  VAL A CG1  
1480 C  CG2  . VAL A 119 ? 0.1503 0.1573 0.0308 0.0202  -0.0197 -0.0108 119  VAL A CG2  
1481 H  H    . VAL A 119 ? 0.1501 0.1214 0.0085 -0.0001 -0.0102 -0.0131 119  VAL A H    
1482 H  HA   . VAL A 119 ? 0.1559 0.1343 0.0082 0.0064  -0.0085 -0.0139 119  VAL A HA   
1483 H  HB   . VAL A 119 ? 0.1517 0.1497 0.0093 0.0159  -0.0157 -0.0151 119  VAL A HB   
1484 H  HG11 . VAL A 119 ? 0.1571 0.1569 0.0159 0.0179  -0.0095 -0.0184 119  VAL A HG11 
1485 H  HG12 . VAL A 119 ? 0.1567 0.1579 0.0132 0.0184  -0.0107 -0.0181 119  VAL A HG12 
1486 H  HG13 . VAL A 119 ? 0.1577 0.1571 0.0133 0.0184  -0.0106 -0.0179 119  VAL A HG13 
1487 H  HG21 . VAL A 119 ? 0.1504 0.1552 0.0238 0.0184  -0.0185 -0.0127 119  VAL A HG21 
1488 H  HG22 . VAL A 119 ? 0.1508 0.1564 0.0254 0.0175  -0.0194 -0.0111 119  VAL A HG22 
1489 H  HG23 . VAL A 119 ? 0.1507 0.1550 0.0263 0.0179  -0.0174 -0.0135 119  VAL A HG23 
1490 N  N    . ASP A 120 ? 0.1726 0.1325 0.0071 0.0061  -0.0014 -0.0099 120  ASP A N    
1491 C  CA   . ASP A 120 ? 0.1742 0.1317 0.0077 0.0155  0.0014  -0.0129 120  ASP A CA   
1492 C  C    . ASP A 120 ? 0.1539 0.1315 0.0150 0.0169  0.0089  -0.0079 120  ASP A C    
1493 O  O    . ASP A 120 ? 0.1587 0.1513 0.0194 0.0249  0.0162  -0.0119 120  ASP A O    
1494 C  CB   . ASP A 120 ? 0.1794 0.1477 0.0206 0.0037  0.0019  -0.0209 120  ASP A CB   
1495 C  CG   . ASP A 120 ? 0.1976 0.1540 0.0358 -0.0079 0.0189  -0.0043 120  ASP A CG   
1496 O  OD1  . ASP A 120 ? 0.2187 0.1549 0.0684 0.0053  0.0031  0.0136  120  ASP A OD1  
1497 O  OD2  . ASP A 120 ? 0.2387 0.1788 0.1341 -0.0258 0.0227  0.0171  120  ASP A OD2  
1498 H  H    . ASP A 120 ? 0.1697 0.1322 0.0070 0.0072  0.0007  -0.0097 120  ASP A H    
1499 H  HA   . ASP A 120 ? 0.1702 0.1330 0.0076 0.0126  0.0021  -0.0124 120  ASP A HA   
1500 H  HB2  . ASP A 120 ? 0.1802 0.1444 0.0182 0.0042  0.0050  -0.0155 120  ASP A HB2  
1501 H  HB3  . ASP A 120 ? 0.1796 0.1444 0.0172 0.0040  0.0041  -0.0158 120  ASP A HB3  
1502 N  N    . GLY A 121 ? 0.1268 0.1242 0.0181 0.0093  0.0051  -0.0115 121  GLY A N    
1503 C  CA   . GLY A 121 ? 0.1287 0.1360 0.0066 0.0075  -0.0056 0.0023  121  GLY A CA   
1504 C  C    . GLY A 121 ? 0.1242 0.1339 0.0067 0.0018  -0.0059 0.0043  121  GLY A C    
1505 O  O    . GLY A 121 ? 0.1505 0.1315 0.0280 -0.0012 -0.0217 -0.0031 121  GLY A O    
1506 H  H    . GLY A 121 ? 0.1304 0.1287 0.0124 0.0103  0.0041  -0.0076 121  GLY A H    
1507 H  HA2  . GLY A 121 ? 0.1274 0.1314 0.0064 0.0067  -0.0033 0.0017  121  GLY A HA2  
1508 H  HA3  . GLY A 121 ? 0.1284 0.1326 0.0064 0.0067  -0.0036 0.0000  121  GLY A HA3  
1509 N  N    . GLN A 122 ? 0.1200 0.1356 0.0067 0.0063  -0.0067 -0.0011 122  GLN A N    
1510 C  CA   . GLN A 122 ? 0.1196 0.1342 0.0068 0.0071  -0.0045 0.0060  122  GLN A CA   
1511 C  C    . GLN A 122 ? 0.1335 0.1315 0.0064 -0.0014 -0.0009 0.0028  122  GLN A C    
1512 O  O    . GLN A 122 ? 0.1419 0.1225 0.0076 0.0150  -0.0117 0.0048  122  GLN A O    
1513 C  CB   . GLN A 122 ? 0.1180 0.1302 0.0066 0.0097  -0.0045 -0.0040 122  GLN A CB   
1514 C  CG   . GLN A 122 ? 0.1156 0.1228 0.0063 0.0060  -0.0006 0.0000  122  GLN A CG   
1515 C  CD   . GLN A 122 ? 0.1213 0.1259 0.0069 0.0014  -0.0084 -0.0006 122  GLN A CD   
1516 O  OE1  . GLN A 122 ? 0.1337 0.1304 0.0065 -0.0071 0.0036  -0.0036 122  GLN A OE1  
1517 N  NE2  . GLN A 122 ? 0.1311 0.1202 0.0068 0.0000  -0.0061 -0.0051 122  GLN A NE2  
1518 H  H    . GLN A 122 ? 0.1204 0.1340 0.0067 0.0049  -0.0065 0.0007  122  GLN A H    
1519 H  HA   . GLN A 122 ? 0.1218 0.1331 0.0065 0.0058  -0.0043 0.0021  122  GLN A HA   
1520 H  HB2  . GLN A 122 ? 0.1186 0.1294 0.0064 0.0085  -0.0037 -0.0010 122  GLN A HB2  
1521 H  HB3  . GLN A 122 ? 0.1180 0.1289 0.0064 0.0083  -0.0036 -0.0009 122  GLN A HB3  
1522 H  HG2  . GLN A 122 ? 0.1172 0.1248 0.0064 0.0059  -0.0033 -0.0009 122  GLN A HG2  
1523 H  HG3  . GLN A 122 ? 0.1166 0.1251 0.0064 0.0056  -0.0032 -0.0010 122  GLN A HG3  
1524 H  HE21 . GLN A 122 ? 0.1279 0.1219 0.0068 0.0005  -0.0068 -0.0038 122  GLN A HE21 
1525 H  HE22 . GLN A 122 ? 0.1280 0.1209 0.0068 0.0002  -0.0068 -0.0042 122  GLN A HE22 
1526 N  N    . LEU A 123 ? 0.1579 0.1287 0.0063 -0.0010 0.0006  0.0020  123  LEU A N    
1527 C  CA   . LEU A 123 ? 0.1515 0.1456 0.0064 0.0024  -0.0006 0.0045  123  LEU A CA   
1528 C  C    . LEU A 123 ? 0.1448 0.1311 0.0079 -0.0027 -0.0112 0.0018  123  LEU A C    
1529 O  O    . LEU A 123 ? 0.1629 0.1385 0.0143 -0.0037 0.0017  0.0046  123  LEU A O    
1530 C  CB   . LEU A 123 ? 0.1464 0.1508 0.0072 0.0016  -0.0032 0.0109  123  LEU A CB   
1531 C  CG   . LEU A 123 ? 0.1435 0.1543 0.0064 0.0000  0.0003  0.0040  123  LEU A CG   
1532 C  CD1  . LEU A 123 ? 0.1608 0.1596 0.0104 -0.0057 -0.0028 0.0049  123  LEU A CD1  
1533 C  CD2  . LEU A 123 ? 0.1356 0.1717 0.0337 0.0023  0.0094  -0.0079 123  LEU A CD2  
1534 H  H    . LEU A 123 ? 0.1495 0.1310 0.0063 -0.0003 -0.0001 0.0020  123  LEU A H    
1535 H  HA   . LEU A 123 ? 0.1506 0.1407 0.0065 0.0003  -0.0025 0.0045  123  LEU A HA   
1536 H  HB2  . LEU A 123 ? 0.1470 0.1504 0.0068 0.0014  -0.0019 0.0079  123  LEU A HB2  
1537 H  HB3  . LEU A 123 ? 0.1470 0.1503 0.0068 0.0013  -0.0022 0.0081  123  LEU A HB3  
1538 H  HG   . LEU A 123 ? 0.1455 0.1571 0.0064 0.0000  0.0019  0.0033  123  LEU A HG   
1539 H  HD11 . LEU A 123 ? 0.1565 0.1582 0.0083 -0.0039 -0.0013 0.0051  123  LEU A HD11 
1540 H  HD12 . LEU A 123 ? 0.1566 0.1582 0.0103 -0.0043 -0.0034 0.0051  123  LEU A HD12 
1541 H  HD13 . LEU A 123 ? 0.1566 0.1588 0.0075 -0.0048 -0.0019 0.0048  123  LEU A HD13 
1542 H  HD21 . LEU A 123 ? 0.1394 0.1681 0.0235 0.0027  0.0054  -0.0049 123  LEU A HD21 
1543 H  HD22 . LEU A 123 ? 0.1391 0.1666 0.0284 0.0015  0.0048  -0.0026 123  LEU A HD22 
1544 H  HD23 . LEU A 123 ? 0.1397 0.1664 0.0234 0.0020  0.0064  -0.0036 123  LEU A HD23 
1545 N  N    . GLU A 124 ? 0.1488 0.1347 0.0076 -0.0032 -0.0138 0.0012  124  GLU A N    
1546 C  CA   . GLU A 124 ? 0.1636 0.1415 0.0076 -0.0029 -0.0142 0.0025  124  GLU A CA   
1547 C  C    . GLU A 124 ? 0.1375 0.1377 0.0072 -0.0066 -0.0111 -0.0002 124  GLU A C    
1548 O  O    . GLU A 124 ? 0.1553 0.1325 0.0077 -0.0132 -0.0142 -0.0015 124  GLU A O    
1549 C  CB   . GLU A 124 ? 0.1683 0.1637 0.0519 -0.0030 -0.0229 0.0129  124  GLU A CB   
1550 C  CG   . GLU A 124 ? 0.2077 0.1832 0.1135 -0.0072 -0.0182 0.0167  124  GLU A CG   
1551 C  CD   . GLU A 124 ? 0.2293 0.2002 0.1459 -0.0195 -0.0358 0.0264  124  GLU A CD   
1552 O  OE1  . GLU A 124 ? 0.2257 0.2234 0.1029 0.0058  0.0179  -0.0069 124  GLU A OE1  
1553 O  OE2  . GLU A 124 ? 0.2743 0.2492 0.1646 -0.0340 -0.0063 0.0655  124  GLU A OE2  
1554 H  H    . GLU A 124 ? 0.1513 0.1355 0.0075 -0.0029 -0.0133 0.0017  124  GLU A H    
1555 H  HA   . GLU A 124 ? 0.1544 0.1418 0.0074 -0.0044 -0.0123 0.0043  124  GLU A HA   
1556 H  HB2  . GLU A 124 ? 0.1718 0.1586 0.0495 -0.0042 -0.0222 0.0118  124  GLU A HB2  
1557 H  HB3  . GLU A 124 ? 0.1724 0.1596 0.0410 -0.0035 -0.0207 0.0104  124  GLU A HB3  
1558 H  HG2  . GLU A 124 ? 0.2017 0.1802 0.1001 -0.0096 -0.0232 0.0176  124  GLU A HG2  
1559 H  HG3  . GLU A 124 ? 0.1991 0.1794 0.1045 -0.0089 -0.0250 0.0184  124  GLU A HG3  
1560 N  N    . TYR A 125 ? 0.1409 0.1466 0.0063 -0.0101 -0.0013 0.0023  125  TYR A N    
1561 C  CA   . TYR A 125 ? 0.1517 0.1505 0.0064 -0.0094 0.0040  0.0022  125  TYR A CA   
1562 C  C    . TYR A 125 ? 0.1427 0.1410 0.0071 -0.0089 0.0043  0.0095  125  TYR A C    
1563 O  O    . TYR A 125 ? 0.1414 0.1408 0.0065 -0.0083 0.0040  -0.0041 125  TYR A O    
1564 C  CB   . TYR A 125 ? 0.1508 0.1522 0.0079 -0.0008 0.0046  0.0143  125  TYR A CB   
1565 C  CG   . TYR A 125 ? 0.1533 0.1578 0.0099 -0.0003 0.0091  0.0214  125  TYR A CG   
1566 C  CD1  . TYR A 125 ? 0.1492 0.1665 0.0123 0.0046  0.0014  0.0081  125  TYR A CD1  
1567 C  CD2  . TYR A 125 ? 0.1558 0.1630 0.0078 -0.0047 0.0026  0.0148  125  TYR A CD2  
1568 C  CE1  . TYR A 125 ? 0.1481 0.1800 0.0565 -0.0018 0.0064  0.0037  125  TYR A CE1  
1569 C  CE2  . TYR A 125 ? 0.1766 0.1736 0.0141 0.0076  0.0222  0.0167  125  TYR A CE2  
1570 C  CZ   . TYR A 125 ? 0.1614 0.1933 0.0449 0.0152  0.0355  0.0176  125  TYR A CZ   
1571 O  OH   . TYR A 125 ? 0.1838 0.2208 0.1041 0.0440  0.0311  0.0329  125  TYR A OH   
1572 H  H    . TYR A 125 ? 0.1426 0.1458 0.0064 -0.0085 -0.0022 0.0029  125  TYR A H    
1573 H  HA   . TYR A 125 ? 0.1471 0.1480 0.0066 -0.0080 0.0027  0.0055  125  TYR A HA   
1574 H  HB2  . TYR A 125 ? 0.1513 0.1525 0.0076 -0.0026 0.0052  0.0128  125  TYR A HB2  
1575 H  HB3  . TYR A 125 ? 0.1512 0.1521 0.0076 -0.0026 0.0052  0.0129  125  TYR A HB3  
1576 H  HD1  . TYR A 125 ? 0.1501 0.1658 0.0178 0.0021  0.0047  0.0103  125  TYR A HD1  
1577 H  HD2  . TYR A 125 ? 0.1562 0.1623 0.0084 -0.0025 0.0073  0.0162  125  TYR A HD2  
1578 H  HE1  . TYR A 125 ? 0.1484 0.1774 0.0399 0.0021  0.0102  0.0073  125  TYR A HE1  
1579 H  HE2  . TYR A 125 ? 0.1670 0.1734 0.0141 0.0060  0.0197  0.0167  125  TYR A HE2  
1580 H  HH   . TYR A 125 ? 0.1785 0.1785 0.1785 0.0000  0.0000  0.0000  125  TYR A HH   
1581 N  N    . LEU A 126 ? 0.1415 0.1505 0.0067 -0.0054 0.0072  0.0019  126  LEU A N    
1582 C  CA   . LEU A 126 ? 0.1371 0.1424 0.0067 -0.0027 0.0005  0.0075  126  LEU A CA   
1583 C  C    . LEU A 126 ? 0.1305 0.1323 0.0067 0.0052  -0.0068 -0.0027 126  LEU A C    
1584 O  O    . LEU A 126 ? 0.1266 0.1279 0.0082 0.0082  -0.0061 -0.0007 126  LEU A O    
1585 C  CB   . LEU A 126 ? 0.1423 0.1497 0.0077 -0.0078 -0.0029 0.0141  126  LEU A CB   
1586 C  CG   . LEU A 126 ? 0.1408 0.1529 0.0096 -0.0109 -0.0049 0.0218  126  LEU A CG   
1587 C  CD1  . LEU A 126 ? 0.1505 0.1539 0.0301 -0.0120 -0.0047 0.0180  126  LEU A CD1  
1588 C  CD2  . LEU A 126 ? 0.1429 0.1680 0.0181 -0.0084 -0.0178 0.0295  126  LEU A CD2  
1589 H  H    . LEU A 126 ? 0.1409 0.1461 0.0066 -0.0057 0.0049  0.0048  126  LEU A H    
1590 H  HA   . LEU A 126 ? 0.1376 0.1425 0.0065 -0.0027 -0.0001 0.0059  126  LEU A HA   
1591 H  HB2  . LEU A 126 ? 0.1406 0.1487 0.0077 -0.0073 -0.0021 0.0139  126  LEU A HB2  
1592 H  HB3  . LEU A 126 ? 0.1406 0.1488 0.0077 -0.0072 -0.0024 0.0140  126  LEU A HB3  
1593 H  HG   . LEU A 126 ? 0.1427 0.1546 0.0095 -0.0101 -0.0059 0.0213  126  LEU A HG   
1594 H  HD11 . LEU A 126 ? 0.1484 0.1537 0.0240 -0.0118 -0.0052 0.0192  126  LEU A HD11 
1595 H  HD12 . LEU A 126 ? 0.1476 0.1536 0.0292 -0.0113 -0.0058 0.0179  126  LEU A HD12 
1596 H  HD13 . LEU A 126 ? 0.1482 0.1536 0.0239 -0.0108 -0.0043 0.0192  126  LEU A HD13 
1597 H  HD21 . LEU A 126 ? 0.1425 0.1647 0.0150 -0.0092 -0.0139 0.0267  126  LEU A HD21 
1598 H  HD22 . LEU A 126 ? 0.1429 0.1636 0.0179 -0.0091 -0.0142 0.0265  126  LEU A HD22 
1599 H  HD23 . LEU A 126 ? 0.1434 0.1637 0.0152 -0.0096 -0.0142 0.0271  126  LEU A HD23 
1600 N  N    . ASP A 127 ? 0.1347 0.1384 0.0064 -0.0020 -0.0025 0.0031  127  ASP A N    
1601 C  CA   . ASP A 127 ? 0.1353 0.1473 0.0068 -0.0026 -0.0058 0.0056  127  ASP A CA   
1602 C  C    . ASP A 127 ? 0.1281 0.1478 0.0070 0.0015  -0.0066 0.0073  127  ASP A C    
1603 O  O    . ASP A 127 ? 0.1310 0.1575 0.0064 0.0014  0.0016  0.0033  127  ASP A O    
1604 C  CB   . ASP A 127 ? 0.1409 0.1347 0.0069 0.0039  -0.0079 -0.0042 127  ASP A CB   
1605 C  CG   . ASP A 127 ? 0.1418 0.1440 0.0095 -0.0021 -0.0092 0.0094  127  ASP A CG   
1606 O  OD1  . ASP A 127 ? 0.1418 0.1379 0.0111 0.0020  -0.0100 0.0084  127  ASP A OD1  
1607 O  OD2  . ASP A 127 ? 0.1666 0.1417 0.0775 -0.0034 -0.0341 0.0212  127  ASP A OD2  
1608 H  H    . ASP A 127 ? 0.1339 0.1387 0.0065 -0.0003 -0.0041 0.0023  127  ASP A H    
1609 H  HA   . ASP A 127 ? 0.1352 0.1433 0.0066 -0.0005 -0.0057 0.0038  127  ASP A HA   
1610 H  HB2  . ASP A 127 ? 0.1398 0.1395 0.0067 0.0010  -0.0076 0.0011  127  ASP A HB2  
1611 H  HB3  . ASP A 127 ? 0.1398 0.1396 0.0067 0.0011  -0.0075 0.0014  127  ASP A HB3  
1612 N  N    . LYS A 128 ? 0.1289 0.1469 0.0070 0.0016  -0.0062 0.0075  128  LYS A N    
1613 C  CA   . LYS A 128 ? 0.1383 0.1562 0.0077 -0.0022 -0.0123 0.0064  128  LYS A CA   
1614 C  C    . LYS A 128 ? 0.1246 0.1424 0.0087 -0.0049 -0.0141 -0.0095 128  LYS A C    
1615 O  O    . LYS A 128 ? 0.1400 0.1498 0.0084 -0.0129 -0.0003 -0.0171 128  LYS A O    
1616 C  CB   . LYS A 128 ? 0.1360 0.1745 0.0247 -0.0054 -0.0115 -0.0086 128  LYS A CB   
1617 C  CG   . LYS A 128 ? 0.1637 0.1914 0.0732 -0.0020 -0.0105 -0.0035 128  LYS A CG   
1618 C  CD   . LYS A 128 ? 0.2062 0.2442 0.1152 0.0038  0.0059  0.0000  128  LYS A CD   
1619 C  CE   . LYS A 128 ? 0.2492 0.2949 0.1980 0.0312  0.0086  0.0124  128  LYS A CE   
1620 N  NZ   . LYS A 128 ? 0.2846 0.3478 0.2270 0.0554  0.0166  0.0190  128  LYS A NZ   
1621 H  H    . LYS A 128 ? 0.1306 0.1481 0.0070 0.0011  -0.0070 0.0061  128  LYS A H    
1622 H  HA   . LYS A 128 ? 0.1328 0.1539 0.0074 -0.0024 -0.0117 0.0015  128  LYS A HA   
1623 H  HB2  . LYS A 128 ? 0.1410 0.1719 0.0245 -0.0040 -0.0117 -0.0037 128  LYS A HB2  
1624 H  HB3  . LYS A 128 ? 0.1404 0.1711 0.0243 -0.0043 -0.0119 -0.0039 128  LYS A HB3  
1625 H  HG2  . LYS A 128 ? 0.1600 0.1918 0.0686 -0.0018 -0.0057 -0.0039 128  LYS A HG2  
1626 H  HG3  . LYS A 128 ? 0.1595 0.1916 0.0622 -0.0017 -0.0076 -0.0042 128  LYS A HG3  
1627 H  HD2  . LYS A 128 ? 0.1964 0.2311 0.1153 0.0070  0.0038  0.0005  128  LYS A HD2  
1628 H  HD3  . LYS A 128 ? 0.1980 0.2342 0.1118 0.0089  0.0027  0.0018  128  LYS A HD3  
1629 H  HE2  . LYS A 128 ? 0.2403 0.2869 0.1869 0.0282  0.0119  0.0073  128  LYS A HE2  
1630 H  HE3  . LYS A 128 ? 0.2414 0.2895 0.1775 0.0308  0.0115  0.0120  128  LYS A HE3  
1631 H  HZ1  . LYS A 128 ? 0.2738 0.3343 0.2187 0.0507  0.0168  0.0201  128  LYS A HZ1  
1632 H  HZ2  . LYS A 128 ? 0.2724 0.3305 0.2230 0.0474  0.0155  0.0161  128  LYS A HZ2  
1633 H  HZ3  . LYS A 128 ? 0.2736 0.3335 0.2181 0.0455  0.0149  0.0170  128  LYS A HZ3  
1634 N  N    . ALA A 129 ? 0.1286 0.1438 0.0069 0.0057  -0.0081 -0.0024 129  ALA A N    
1635 C  CA   . ALA A 129 ? 0.1260 0.1395 0.0079 0.0020  -0.0119 0.0070  129  ALA A CA   
1636 C  C    . ALA A 129 ? 0.1291 0.1301 0.0082 -0.0068 -0.0144 0.0063  129  ALA A C    
1637 O  O    . ALA A 129 ? 0.1381 0.1255 0.0091 -0.0067 -0.0191 0.0020  129  ALA A O    
1638 C  CB   . ALA A 129 ? 0.1413 0.1483 0.0075 0.0003  -0.0049 0.0121  129  ALA A CB   
1639 H  H    . ALA A 129 ? 0.1272 0.1424 0.0072 0.0022  -0.0104 -0.0020 129  ALA A H    
1640 H  HA   . ALA A 129 ? 0.1296 0.1396 0.0074 0.0005  -0.0104 0.0058  129  ALA A HA   
1641 H  HB1  . ALA A 129 ? 0.1368 0.1465 0.0074 0.0004  -0.0067 0.0103  129  ALA A HB1  
1642 H  HB2  . ALA A 129 ? 0.1359 0.1456 0.0074 0.0009  -0.0064 0.0103  129  ALA A HB2  
1643 H  HB3  . ALA A 129 ? 0.1368 0.1462 0.0074 0.0014  -0.0068 0.0105  129  ALA A HB3  
1644 N  N    . VAL A 130 ? 0.1273 0.1307 0.0070 -0.0079 -0.0089 0.0025  130  VAL A N    
1645 C  CA   . VAL A 130 ? 0.1353 0.1379 0.0188 -0.0038 -0.0033 -0.0010 130  VAL A CA   
1646 C  C    . VAL A 130 ? 0.1335 0.1442 0.0103 -0.0123 0.0006  0.0073  130  VAL A C    
1647 O  O    . VAL A 130 ? 0.1352 0.1532 0.0075 -0.0080 -0.0104 -0.0068 130  VAL A O    
1648 C  CB   . VAL A 130 ? 0.1467 0.1337 0.0218 -0.0075 -0.0041 0.0128  130  VAL A CB   
1649 C  CG1  . VAL A 130 ? 0.1563 0.1529 0.0444 -0.0056 0.0018  0.0087  130  VAL A CG1  
1650 C  CG2  . VAL A 130 ? 0.1453 0.1304 0.0229 -0.0093 0.0011  -0.0014 130  VAL A CG2  
1651 H  H    . VAL A 130 ? 0.1296 0.1315 0.0070 -0.0066 -0.0092 0.0027  130  VAL A H    
1652 H  HA   . VAL A 130 ? 0.1352 0.1370 0.0146 -0.0071 -0.0040 0.0035  130  VAL A HA   
1653 H  HB   . VAL A 130 ? 0.1450 0.1359 0.0244 -0.0063 -0.0021 0.0068  130  VAL A HB   
1654 H  HG11 . VAL A 130 ? 0.1542 0.1484 0.0373 -0.0070 0.0006  0.0099  130  VAL A HG11 
1655 H  HG12 . VAL A 130 ? 0.1553 0.1471 0.0403 -0.0065 0.0027  0.0097  130  VAL A HG12 
1656 H  HG13 . VAL A 130 ? 0.1552 0.1485 0.0374 -0.0056 0.0005  0.0097  130  VAL A HG13 
1657 H  HG21 . VAL A 130 ? 0.1455 0.1313 0.0223 -0.0089 -0.0001 0.0027  130  VAL A HG21 
1658 H  HG22 . VAL A 130 ? 0.1448 0.1313 0.0212 -0.0086 0.0002  0.0024  130  VAL A HG22 
1659 H  HG23 . VAL A 130 ? 0.1456 0.1316 0.0223 -0.0090 -0.0001 0.0026  130  VAL A HG23 
1660 N  N    . GLU A 131 ? 0.1360 0.1580 0.0063 -0.0052 -0.0004 -0.0027 131  GLU A N    
1661 C  CA   . GLU A 131 ? 0.1607 0.1847 0.0072 -0.0065 -0.0049 -0.0117 131  GLU A CA   
1662 C  C    . GLU A 131 ? 0.1484 0.1724 0.0064 -0.0088 -0.0023 -0.0028 131  GLU A C    
1663 O  O    . GLU A 131 ? 0.1657 0.1755 0.0070 -0.0023 -0.0085 -0.0061 131  GLU A O    
1664 C  CB   . GLU A 131 ? 0.1964 0.2014 0.0069 0.0111  -0.0097 -0.0047 131  GLU A CB   
1665 C  CG   . GLU A 131 ? 0.2490 0.2572 0.0580 0.0142  -0.0451 -0.0159 131  GLU A CG   
1666 C  CD   . GLU A 131 ? 0.3311 0.3464 0.1980 0.0588  -0.0830 -0.0190 131  GLU A CD   
1667 O  OE1  . GLU A 131 ? 0.4303 0.3463 0.3620 0.0676  -0.0576 -0.0216 131  GLU A OE1  
1668 O  OE2  . GLU A 131 ? 0.4027 0.5006 0.4037 0.0711  -0.1819 -0.0691 131  GLU A OE2  
1669 H  H    . GLU A 131 ? 0.1399 0.1578 0.0064 -0.0065 -0.0008 -0.0031 131  GLU A H    
1670 H  HA   . GLU A 131 ? 0.1574 0.1779 0.0067 -0.0039 -0.0048 -0.0069 131  GLU A HA   
1671 H  HB2  . GLU A 131 ? 0.1925 0.2039 0.0077 0.0070  -0.0139 -0.0087 131  GLU A HB2  
1672 H  HB3  . GLU A 131 ? 0.1906 0.2037 0.0074 0.0071  -0.0115 -0.0088 131  GLU A HB3  
1673 H  HG2  . GLU A 131 ? 0.2385 0.2490 0.0520 0.0205  -0.0397 -0.0131 131  GLU A HG2  
1674 H  HG3  . GLU A 131 ? 0.2407 0.2466 0.0572 0.0203  -0.0431 -0.0132 131  GLU A HG3  
1675 N  N    . TRP A 132 ? 0.1452 0.1621 0.0072 -0.0147 -0.0115 0.0024  132  TRP A N    
1676 C  CA   . TRP A 132 ? 0.1448 0.1460 0.0075 -0.0050 -0.0125 -0.0031 132  TRP A CA   
1677 C  C    . TRP A 132 ? 0.1366 0.1382 0.0089 -0.0064 -0.0166 -0.0075 132  TRP A C    
1678 O  O    . TRP A 132 ? 0.1442 0.1369 0.0442 -0.0063 -0.0221 -0.0154 132  TRP A O    
1679 C  CB   . TRP A 132 ? 0.1379 0.1505 0.0215 -0.0084 -0.0004 -0.0098 132  TRP A CB   
1680 C  CG   . TRP A 132 ? 0.1386 0.1526 0.0390 -0.0069 0.0030  -0.0030 132  TRP A CG   
1681 C  CD1  . TRP A 132 ? 0.1474 0.1775 0.0474 0.0106  0.0056  0.0041  132  TRP A CD1  
1682 C  CD2  . TRP A 132 ? 0.1310 0.1626 0.0475 -0.0108 0.0136  -0.0069 132  TRP A CD2  
1683 N  NE1  . TRP A 132 ? 0.1417 0.2069 0.0476 0.0171  -0.0016 0.0005  132  TRP A NE1  
1684 C  CE2  . TRP A 132 ? 0.1427 0.1666 0.0478 -0.0065 0.0112  -0.0069 132  TRP A CE2  
1685 C  CE3  . TRP A 132 ? 0.1395 0.1592 0.0492 -0.0127 0.0208  -0.0093 132  TRP A CE3  
1686 C  CZ2  . TRP A 132 ? 0.1489 0.1697 0.0640 -0.0023 0.0146  -0.0049 132  TRP A CZ2  
1687 C  CZ3  . TRP A 132 ? 0.1622 0.1490 0.0583 -0.0144 0.0274  -0.0127 132  TRP A CZ3  
1688 C  CH2  . TRP A 132 ? 0.1501 0.1502 0.0594 -0.0141 0.0284  -0.0117 132  TRP A CH2  
1689 H  H    . TRP A 132 ? 0.1457 0.1603 0.0069 -0.0109 -0.0094 -0.0003 132  TRP A H    
1690 H  HA   . TRP A 132 ? 0.1423 0.1487 0.0073 -0.0075 -0.0109 -0.0039 132  TRP A HA   
1691 H  HB2  . TRP A 132 ? 0.1401 0.1499 0.0193 -0.0071 -0.0025 -0.0066 132  TRP A HB2  
1692 H  HB3  . TRP A 132 ? 0.1398 0.1501 0.0191 -0.0071 -0.0028 -0.0069 132  TRP A HB3  
1693 H  HD1  . TRP A 132 ? 0.1446 0.1759 0.0471 0.0066  0.0030  0.0020  132  TRP A HD1  
1694 H  HE1  . TRP A 132 ? 0.1412 0.1870 0.0457 0.0103  0.0016  0.0006  132  TRP A HE1  
1695 H  HE3  . TRP A 132 ? 0.1425 0.1579 0.0496 -0.0120 0.0202  -0.0093 132  TRP A HE3  
1696 H  HZ2  . TRP A 132 ? 0.1470 0.1640 0.0584 -0.0056 0.0167  -0.0067 132  TRP A HZ2  
1697 H  HZ3  . TRP A 132 ? 0.1534 0.1523 0.0584 -0.0136 0.0260  -0.0114 132  TRP A HZ3  
1698 H  HH2  . TRP A 132 ? 0.1514 0.1537 0.0587 -0.0105 0.0257  -0.0112 132  TRP A HH2  
1699 N  N    . ALA A 133 ? 0.1466 0.1317 0.0121 -0.0124 -0.0168 -0.0183 133  ALA A N    
1700 C  CA   . ALA A 133 ? 0.1562 0.1390 0.0119 -0.0011 -0.0267 -0.0102 133  ALA A CA   
1701 C  C    . ALA A 133 ? 0.1482 0.1456 0.0140 -0.0055 -0.0128 -0.0184 133  ALA A C    
1702 O  O    . ALA A 133 ? 0.1490 0.1573 0.0516 0.0081  -0.0091 -0.0249 133  ALA A O    
1703 C  CB   . ALA A 133 ? 0.1478 0.1464 0.0211 0.0065  -0.0391 -0.0068 133  ALA A CB   
1704 H  H    . ALA A 133 ? 0.1461 0.1323 0.0109 -0.0087 -0.0191 -0.0147 133  ALA A H    
1705 H  HA   . ALA A 133 ? 0.1512 0.1395 0.0118 -0.0030 -0.0247 -0.0126 133  ALA A HA   
1706 H  HB1  . ALA A 133 ? 0.1498 0.1437 0.0166 0.0048  -0.0364 -0.0079 133  ALA A HB1  
1707 H  HB2  . ALA A 133 ? 0.1507 0.1444 0.0202 0.0040  -0.0376 -0.0070 133  ALA A HB2  
1708 H  HB3  . ALA A 133 ? 0.1505 0.1450 0.0168 0.0047  -0.0365 -0.0083 133  ALA A HB3  
1709 N  N    . GLY A 134 ? 0.1540 0.1523 0.0341 -0.0133 0.0008  -0.0171 134  GLY A N    
1710 C  CA   . GLY A 134 ? 0.1705 0.1674 0.0394 -0.0092 0.0099  -0.0258 134  GLY A CA   
1711 C  C    . GLY A 134 ? 0.1926 0.1868 0.0191 -0.0248 0.0190  -0.0281 134  GLY A C    
1712 O  O    . GLY A 134 ? 0.2204 0.2008 0.0290 -0.0253 0.0207  -0.0376 134  GLY A O    
1713 H  H    . GLY A 134 ? 0.1552 0.1535 0.0293 -0.0104 -0.0012 -0.0189 134  GLY A H    
1714 H  HA2  . GLY A 134 ? 0.1697 0.1685 0.0341 -0.0129 0.0095  -0.0240 134  GLY A HA2  
1715 H  HA3  . GLY A 134 ? 0.1706 0.1690 0.0342 -0.0132 0.0094  -0.0246 134  GLY A HA3  
1716 N  N    . ALA A 135 ? 0.1902 0.1856 0.0085 -0.0212 -0.0005 -0.0196 135  ALA A N    
1717 C  CA   . ALA A 135 ? 0.1967 0.1933 0.0124 -0.0114 -0.0121 -0.0282 135  ALA A CA   
1718 C  C    . ALA A 135 ? 0.2030 0.1976 0.0137 -0.0119 -0.0282 -0.0235 135  ALA A C    
1719 O  O    . ALA A 135 ? 0.2617 0.1976 0.0244 -0.0142 -0.0402 -0.0344 135  ALA A O    
1720 C  CB   . ALA A 135 ? 0.1985 0.1995 0.0547 -0.0076 -0.0285 -0.0294 135  ALA A CB   
1721 H  H    . ALA A 135 ? 0.1918 0.1877 0.0103 -0.0198 0.0011  -0.0233 135  ALA A H    
1722 H  HA   . ALA A 135 ? 0.1967 0.1935 0.0118 -0.0131 -0.0142 -0.0259 135  ALA A HA   
1723 H  HB1  . ALA A 135 ? 0.1984 0.1980 0.0426 -0.0086 -0.0237 -0.0290 135  ALA A HB1  
1724 H  HB2  . ALA A 135 ? 0.1981 0.1989 0.0427 -0.0088 -0.0239 -0.0297 135  ALA A HB2  
1725 H  HB3  . ALA A 135 ? 0.1986 0.1978 0.0531 -0.0089 -0.0262 -0.0288 135  ALA A HB3  
1726 N  N    . ALA A 136 ? 0.1729 0.1927 0.0111 -0.0097 -0.0239 -0.0145 136  ALA A N    
1727 C  CA   . ALA A 136 ? 0.1693 0.1825 0.0158 -0.0124 -0.0026 -0.0118 136  ALA A CA   
1728 C  C    . ALA A 136 ? 0.1697 0.1693 0.0097 -0.0061 -0.0091 -0.0213 136  ALA A C    
1729 O  O    . ALA A 136 ? 0.2040 0.1858 0.0653 -0.0086 0.0006  -0.0133 136  ALA A O    
1730 C  CB   . ALA A 136 ? 0.1668 0.1785 0.0188 -0.0074 0.0065  -0.0113 136  ALA A CB   
1731 H  H    . ALA A 136 ? 0.1788 0.1913 0.0102 -0.0109 -0.0197 -0.0161 136  ALA A H    
1732 H  HA   . ALA A 136 ? 0.1709 0.1817 0.0118 -0.0093 -0.0063 -0.0141 136  ALA A HA   
1733 H  HB1  . ALA A 136 ? 0.1677 0.1793 0.0180 -0.0086 0.0038  -0.0113 136  ALA A HB1  
1734 H  HB2  . ALA A 136 ? 0.1669 0.1795 0.0180 -0.0083 0.0039  -0.0114 136  ALA A HB2  
1735 H  HB3  . ALA A 136 ? 0.1681 0.1800 0.0182 -0.0082 0.0042  -0.0111 136  ALA A HB3  
1736 N  N    . GLY A 137 ? 0.1594 0.1565 0.0190 -0.0024 -0.0071 -0.0234 137  GLY A N    
1737 C  CA   . GLY A 137 ? 0.1635 0.1667 0.0191 0.0006  -0.0022 -0.0189 137  GLY A CA   
1738 C  C    . GLY A 137 ? 0.1661 0.1700 0.0081 0.0090  0.0037  -0.0163 137  GLY A C    
1739 O  O    . GLY A 137 ? 0.1910 0.2066 0.0431 0.0344  -0.0182 -0.0437 137  GLY A O    
1740 H  H    . GLY A 137 ? 0.1631 0.1605 0.0150 -0.0026 -0.0068 -0.0216 137  GLY A H    
1741 H  HA2  . GLY A 137 ? 0.1632 0.1652 0.0168 0.0020  -0.0024 -0.0199 137  GLY A HA2  
1742 H  HA3  . GLY A 137 ? 0.1634 0.1658 0.0164 0.0018  -0.0023 -0.0194 137  GLY A HA3  
1743 N  N    . LEU A 138 ? 0.1491 0.1560 0.0091 0.0008  -0.0049 -0.0160 138  LEU A N    
1744 C  CA   . LEU A 138 ? 0.1410 0.1411 0.0068 -0.0075 0.0002  0.0080  138  LEU A CA   
1745 C  C    . LEU A 138 ? 0.1384 0.1283 0.0065 -0.0099 0.0015  0.0048  138  LEU A C    
1746 O  O    . LEU A 138 ? 0.1483 0.1401 0.0400 -0.0148 -0.0217 0.0188  138  LEU A O    
1747 C  CB   . LEU A 138 ? 0.1372 0.1458 0.0185 -0.0048 0.0125  0.0134  138  LEU A CB   
1748 C  CG   . LEU A 138 ? 0.1362 0.1757 0.0354 -0.0094 0.0221  0.0255  138  LEU A CG   
1749 C  CD1  . LEU A 138 ? 0.1298 0.1932 0.0730 -0.0021 0.0344  0.0343  138  LEU A CD1  
1750 C  CD2  . LEU A 138 ? 0.1505 0.1840 0.0736 -0.0123 0.0343  0.0390  138  LEU A CD2  
1751 H  H    . LEU A 138 ? 0.1504 0.1550 0.0070 0.0006  -0.0017 -0.0101 138  LEU A H    
1752 H  HA   . LEU A 138 ? 0.1416 0.1422 0.0064 -0.0058 0.0018  0.0042  138  LEU A HA   
1753 H  HB2  . LEU A 138 ? 0.1378 0.1484 0.0170 -0.0057 0.0116  0.0149  138  LEU A HB2  
1754 H  HB3  . LEU A 138 ? 0.1385 0.1491 0.0174 -0.0062 0.0121  0.0147  138  LEU A HB3  
1755 H  HG   . LEU A 138 ? 0.1365 0.1713 0.0379 -0.0079 0.0221  0.0258  138  LEU A HG   
1756 H  HD11 . LEU A 138 ? 0.1338 0.1871 0.0600 -0.0038 0.0310  0.0310  138  LEU A HD11 
1757 H  HD12 . LEU A 138 ? 0.1344 0.1866 0.0663 -0.0045 0.0339  0.0309  138  LEU A HD12 
1758 H  HD13 . LEU A 138 ? 0.1334 0.1872 0.0595 -0.0049 0.0307  0.0305  138  LEU A HD13 
1759 H  HD21 . LEU A 138 ? 0.1478 0.1810 0.0635 -0.0123 0.0278  0.0362  138  LEU A HD21 
1760 H  HD22 . LEU A 138 ? 0.1487 0.1812 0.0650 -0.0107 0.0335  0.0358  138  LEU A HD22 
1761 H  HD23 . LEU A 138 ? 0.1464 0.1812 0.0612 -0.0112 0.0304  0.0350  138  LEU A HD23 
1762 N  N    . LYS A 139 ? 0.1417 0.1269 0.0069 -0.0172 -0.0027 0.0082  139  LYS A N    
1763 C  CA   . LYS A 139 ? 0.1520 0.1302 0.0078 -0.0137 -0.0037 -0.0127 139  LYS A CA   
1764 C  C    . LYS A 139 ? 0.1451 0.1394 0.0065 -0.0174 -0.0030 0.0045  139  LYS A C    
1765 O  O    . LYS A 139 ? 0.1701 0.1350 0.0081 -0.0262 0.0109  0.0096  139  LYS A O    
1766 C  CB   . LYS A 139 ? 0.1528 0.1412 0.0326 -0.0201 0.0039  -0.0138 139  LYS A CB   
1767 C  CG   . LYS A 139 ? 0.1796 0.1689 0.0430 -0.0162 0.0251  -0.0122 139  LYS A CG   
1768 C  CD   . LYS A 139 ? 0.2307 0.2018 0.0317 -0.0107 0.0038  -0.0154 139  LYS A CD   
1769 C  CE   . LYS A 139 ? 0.2533 0.2389 0.0621 0.0030  0.0182  -0.0016 139  LYS A CE   
1770 N  NZ   . LYS A 139 ? 0.3347 0.2612 0.0781 0.0078  -0.0149 -0.0046 139  LYS A NZ   
1771 H  H    . LYS A 139 ? 0.1432 0.1267 0.0064 -0.0142 -0.0020 0.0032  139  LYS A H    
1772 H  HA   . LYS A 139 ? 0.1493 0.1350 0.0067 -0.0164 -0.0020 -0.0069 139  LYS A HA   
1773 H  HB2  . LYS A 139 ? 0.1563 0.1431 0.0249 -0.0182 0.0059  -0.0152 139  LYS A HB2  
1774 H  HB3  . LYS A 139 ? 0.1558 0.1409 0.0234 -0.0187 0.0055  -0.0142 139  LYS A HB3  
1775 H  HG2  . LYS A 139 ? 0.1805 0.1672 0.0378 -0.0151 0.0155  -0.0126 139  LYS A HG2  
1776 H  HG3  . LYS A 139 ? 0.1814 0.1666 0.0381 -0.0160 0.0155  -0.0130 139  LYS A HG3  
1777 H  HD2  . LYS A 139 ? 0.2183 0.1972 0.0391 -0.0095 0.0123  -0.0117 139  LYS A HD2  
1778 H  HD3  . LYS A 139 ? 0.2195 0.1960 0.0387 -0.0098 0.0129  -0.0119 139  LYS A HD3  
1779 H  HE2  . LYS A 139 ? 0.2606 0.2356 0.0558 0.0017  0.0084  -0.0044 139  LYS A HE2  
1780 H  HE3  . LYS A 139 ? 0.2598 0.2313 0.0554 0.0005  0.0082  -0.0055 139  LYS A HE3  
1781 H  HZ1  . LYS A 139 ? 0.3134 0.2538 0.0749 0.0056  -0.0019 -0.0025 139  LYS A HZ1  
1782 H  HZ2  . LYS A 139 ? 0.3078 0.2565 0.0744 0.0065  -0.0037 -0.0017 139  LYS A HZ2  
1783 H  HZ3  . LYS A 139 ? 0.3121 0.2554 0.0807 0.0036  -0.0089 0.0003  139  LYS A HZ3  
1784 N  N    . VAL A 140 ? 0.1451 0.1340 0.0066 -0.0181 -0.0027 0.0059  140  VAL A N    
1785 C  CA   . VAL A 140 ? 0.1448 0.1335 0.0064 -0.0099 -0.0027 -0.0019 140  VAL A CA   
1786 C  C    . VAL A 140 ? 0.1385 0.1330 0.0075 -0.0090 -0.0053 0.0117  140  VAL A C    
1787 O  O    . VAL A 140 ? 0.1363 0.1358 0.0066 -0.0094 -0.0052 0.0045  140  VAL A O    
1788 C  CB   . VAL A 140 ? 0.1481 0.1394 0.0064 -0.0125 -0.0029 0.0038  140  VAL A CB   
1789 C  CG1  . VAL A 140 ? 0.1430 0.1392 0.0065 -0.0135 -0.0050 0.0006  140  VAL A CG1  
1790 C  CG2  . VAL A 140 ? 0.1489 0.1395 0.0068 -0.0112 -0.0003 0.0080  140  VAL A CG2  
1791 H  H    . VAL A 140 ? 0.1442 0.1335 0.0065 -0.0173 -0.0013 0.0056  140  VAL A H    
1792 H  HA   . VAL A 140 ? 0.1449 0.1358 0.0064 -0.0109 -0.0042 0.0020  140  VAL A HA   
1793 H  HB   . VAL A 140 ? 0.1466 0.1382 0.0064 -0.0120 -0.0028 0.0028  140  VAL A HB   
1794 H  HG11 . VAL A 140 ? 0.1445 0.1396 0.0065 -0.0131 -0.0047 0.0010  140  VAL A HG11 
1795 H  HG12 . VAL A 140 ? 0.1440 0.1391 0.0065 -0.0134 -0.0046 0.0015  140  VAL A HG12 
1796 H  HG13 . VAL A 140 ? 0.1444 0.1392 0.0064 -0.0132 -0.0045 0.0015  140  VAL A HG13 
1797 H  HG21 . VAL A 140 ? 0.1486 0.1394 0.0066 -0.0116 -0.0011 0.0069  140  VAL A HG21 
1798 H  HG22 . VAL A 140 ? 0.1486 0.1399 0.0067 -0.0117 -0.0012 0.0076  140  VAL A HG22 
1799 H  HG23 . VAL A 140 ? 0.1485 0.1394 0.0067 -0.0117 -0.0010 0.0071  140  VAL A HG23 
1800 N  N    . LEU A 141 ? 0.1267 0.1298 0.0066 -0.0031 -0.0063 -0.0012 141  LEU A N    
1801 C  CA   . LEU A 141 ? 0.1163 0.1256 0.0067 -0.0040 -0.0062 0.0023  141  LEU A CA   
1802 C  C    . LEU A 141 ? 0.1100 0.1301 0.0064 -0.0020 -0.0003 0.0031  141  LEU A C    
1803 O  O    . LEU A 141 ? 0.1080 0.1238 0.0071 -0.0043 0.0090  -0.0009 141  LEU A O    
1804 C  CB   . LEU A 141 ? 0.1344 0.1344 0.0176 0.0057  -0.0056 0.0181  141  LEU A CB   
1805 C  CG   . LEU A 141 ? 0.1578 0.1925 0.1012 0.0019  -0.0500 0.0579  141  LEU A CG   
1806 C  CD1  . LEU A 141 ? 0.1813 0.2427 0.1434 -0.0042 -0.0585 0.0507  141  LEU A CD1  
1807 C  CD2  . LEU A 141 ? 0.2116 0.1883 0.1225 -0.0121 -0.0621 0.0833  141  LEU A CD2  
1808 H  H    . LEU A 141 ? 0.1276 0.1300 0.0067 -0.0041 -0.0064 0.0021  141  LEU A H    
1809 H  HA   . LEU A 141 ? 0.1194 0.1289 0.0066 -0.0023 -0.0050 0.0042  141  LEU A HA   
1810 H  HB2  . LEU A 141 ? 0.1301 0.1356 0.0166 0.0036  -0.0117 0.0184  141  LEU A HB2  
1811 H  HB3  . LEU A 141 ? 0.1304 0.1367 0.0172 0.0026  -0.0125 0.0193  141  LEU A HB3  
1812 H  HG   . LEU A 141 ? 0.1623 0.1795 0.0859 -0.0019 -0.0443 0.0527  141  LEU A HG   
1813 H  HD11 . LEU A 141 ? 0.1751 0.2250 0.1313 -0.0024 -0.0514 0.0536  141  LEU A HD11 
1814 H  HD12 . LEU A 141 ? 0.1758 0.2248 0.1295 -0.0049 -0.0558 0.0530  141  LEU A HD12 
1815 H  HD13 . LEU A 141 ? 0.1731 0.2262 0.1230 -0.0072 -0.0503 0.0473  141  LEU A HD13 
1816 H  HD21 . LEU A 141 ? 0.1951 0.1910 0.1169 -0.0066 -0.0585 0.0753  141  LEU A HD21 
1817 H  HD22 . LEU A 141 ? 0.1948 0.1909 0.1187 -0.0086 -0.0597 0.0772  141  LEU A HD22 
1818 H  HD23 . LEU A 141 ? 0.1963 0.1906 0.1193 -0.0066 -0.0556 0.0765  141  LEU A HD23 
1819 N  N    . ILE A 142 ? 0.1163 0.1227 0.0065 -0.0026 -0.0043 0.0018  142  ILE A N    
1820 C  CA   . ILE A 142 ? 0.1252 0.1230 0.0066 -0.0029 -0.0059 0.0018  142  ILE A CA   
1821 C  C    . ILE A 142 ? 0.1211 0.1340 0.0063 -0.0011 -0.0024 0.0006  142  ILE A C    
1822 O  O    . ILE A 142 ? 0.1184 0.1436 0.0063 -0.0060 0.0016  0.0006  142  ILE A O    
1823 C  CB   . ILE A 142 ? 0.1609 0.1289 0.0075 -0.0010 -0.0129 0.0038  142  ILE A CB   
1824 C  CG1  . ILE A 142 ? 0.1822 0.1333 0.0102 -0.0010 -0.0220 0.0122  142  ILE A CG1  
1825 C  CG2  . ILE A 142 ? 0.1780 0.1353 0.0173 -0.0019 -0.0288 -0.0076 142  ILE A CG2  
1826 C  CD1  . ILE A 142 ? 0.2082 0.1432 0.0091 -0.0011 -0.0172 0.0138  142  ILE A CD1  
1827 H  H    . ILE A 142 ? 0.1175 0.1246 0.0065 -0.0025 -0.0040 0.0021  142  ILE A H    
1828 H  HA   . ILE A 142 ? 0.1266 0.1259 0.0066 -0.0023 -0.0055 0.0019  142  ILE A HA   
1829 H  HB   . ILE A 142 ? 0.1582 0.1292 0.0079 -0.0016 -0.0153 0.0031  142  ILE A HB   
1830 H  HG12 . ILE A 142 ? 0.1823 0.1342 0.0092 -0.0009 -0.0192 0.0105  142  ILE A HG12 
1831 H  HG13 . ILE A 142 ? 0.1809 0.1350 0.0092 -0.0014 -0.0188 0.0109  142  ILE A HG13 
1832 H  HG21 . ILE A 142 ? 0.1756 0.1340 0.0102 -0.0014 -0.0253 -0.0043 142  ILE A HG21 
1833 H  HG22 . ILE A 142 ? 0.1738 0.1341 0.0099 -0.0014 -0.0235 -0.0042 142  ILE A HG22 
1834 H  HG23 . ILE A 142 ? 0.1737 0.1367 0.0103 -0.0013 -0.0245 -0.0061 142  ILE A HG23 
1835 H  HD11 . ILE A 142 ? 0.1999 0.1408 0.0096 -0.0013 -0.0190 0.0138  142  ILE A HD11 
1836 H  HD12 . ILE A 142 ? 0.2015 0.1402 0.0095 -0.0005 -0.0191 0.0134  142  ILE A HD12 
1837 H  HD13 . ILE A 142 ? 0.2008 0.1402 0.0094 -0.0005 -0.0177 0.0142  142  ILE A HD13 
1838 N  N    . ASP A 143 ? 0.1133 0.1312 0.0065 0.0045  0.0042  0.0011  143  ASP A N    
1839 C  CA   . ASP A 143 ? 0.1246 0.1351 0.0064 0.0028  0.0029  -0.0032 143  ASP A CA   
1840 C  C    . ASP A 143 ? 0.1181 0.1301 0.0068 0.0019  -0.0074 0.0009  143  ASP A C    
1841 O  O    . ASP A 143 ? 0.1142 0.1405 0.0073 -0.0001 -0.0047 -0.0102 143  ASP A O    
1842 C  CB   . ASP A 143 ? 0.1390 0.1345 0.0070 0.0028  0.0007  -0.0093 143  ASP A CB   
1843 C  CG   . ASP A 143 ? 0.1359 0.1359 0.0064 -0.0053 -0.0007 0.0029  143  ASP A CG   
1844 O  OD1  . ASP A 143 ? 0.1392 0.1448 0.0100 -0.0155 0.0046  0.0214  143  ASP A OD1  
1845 O  OD2  . ASP A 143 ? 0.1192 0.1265 0.0213 -0.0037 0.0026  0.0019  143  ASP A OD2  
1846 H  H    . ASP A 143 ? 0.1155 0.1325 0.0063 0.0029  0.0022  0.0000  143  ASP A H    
1847 H  HA   . ASP A 143 ? 0.1233 0.1331 0.0063 0.0028  0.0007  -0.0026 143  ASP A HA   
1848 H  HB2  . ASP A 143 ? 0.1348 0.1343 0.0065 0.0015  0.0011  -0.0052 143  ASP A HB2  
1849 H  HB3  . ASP A 143 ? 0.1360 0.1348 0.0065 0.0013  0.0012  -0.0049 143  ASP A HB3  
1850 N  N    . LEU A 144 ? 0.1079 0.1210 0.0067 0.0023  0.0046  -0.0043 144  LEU A N    
1851 C  CA   . LEU A 144 ? 0.1024 0.1117 0.0067 0.0065  -0.0047 -0.0045 144  LEU A CA   
1852 C  C    . LEU A 144 ? 0.0988 0.1196 0.0066 0.0026  -0.0049 0.0001  144  LEU A C    
1853 O  O    . LEU A 144 ? 0.1027 0.1411 0.0309 0.0057  -0.0097 0.0016  144  LEU A O    
1854 C  CB   . LEU A 144 ? 0.1082 0.1017 0.0097 0.0060  0.0037  -0.0080 144  LEU A CB   
1855 C  CG   . LEU A 144 ? 0.1181 0.1043 0.0143 0.0038  0.0104  -0.0095 144  LEU A CG   
1856 C  CD1  . LEU A 144 ? 0.1154 0.1084 0.0276 -0.0038 0.0111  -0.0135 144  LEU A CD1  
1857 C  CD2  . LEU A 144 ? 0.1232 0.1103 0.0489 0.0078  0.0218  -0.0168 144  LEU A CD2  
1858 H  H    . LEU A 144 ? 0.1058 0.1207 0.0064 0.0037  0.0015  -0.0034 144  LEU A H    
1859 H  HA   . LEU A 144 ? 0.1027 0.1131 0.0065 0.0054  -0.0015 -0.0044 144  LEU A HA   
1860 H  HB2  . LEU A 144 ? 0.1087 0.1047 0.0097 0.0056  0.0031  -0.0078 144  LEU A HB2  
1861 H  HB3  . LEU A 144 ? 0.1084 0.1047 0.0088 0.0057  0.0030  -0.0075 144  LEU A HB3  
1862 H  HG   . LEU A 144 ? 0.1161 0.1050 0.0148 0.0036  0.0108  -0.0095 144  LEU A HG   
1863 H  HD11 . LEU A 144 ? 0.1160 0.1077 0.0247 -0.0016 0.0108  -0.0120 144  LEU A HD11 
1864 H  HD12 . LEU A 144 ? 0.1160 0.1077 0.0268 -0.0016 0.0109  -0.0133 144  LEU A HD12 
1865 H  HD13 . LEU A 144 ? 0.1154 0.1072 0.0239 -0.0018 0.0107  -0.0122 144  LEU A HD13 
1866 H  HD21 . LEU A 144 ? 0.1225 0.1088 0.0385 0.0058  0.0182  -0.0148 144  LEU A HD21 
1867 H  HD22 . LEU A 144 ? 0.1217 0.1089 0.0458 0.0064  0.0177  -0.0164 144  LEU A HD22 
1868 H  HD23 . LEU A 144 ? 0.1216 0.1092 0.0386 0.0062  0.0179  -0.0142 144  LEU A HD23 
1869 N  N    . HIS A 145 ? 0.1008 0.1308 0.0079 0.0067  -0.0035 -0.0137 145  HIS A N    
1870 C  CA   . HIS A 145 ? 0.1100 0.1308 0.0081 0.0038  0.0034  -0.0143 145  HIS A CA   
1871 C  C    . HIS A 145 ? 0.1134 0.1343 0.0069 0.0051  0.0057  -0.0063 145  HIS A C    
1872 O  O    . HIS A 145 ? 0.1418 0.1316 0.0065 -0.0014 0.0044  -0.0018 145  HIS A O    
1873 C  CB   . HIS A 145 ? 0.1163 0.1386 0.0080 -0.0013 0.0027  -0.0148 145  HIS A CB   
1874 C  CG   . HIS A 145 ? 0.1062 0.1492 0.0072 -0.0097 0.0062  -0.0094 145  HIS A CG   
1875 N  ND1  . HIS A 145 ? 0.1459 0.2173 0.0079 -0.0216 0.0096  -0.0152 145  HIS A ND1  
1876 C  CD2  . HIS A 145 ? 0.1012 0.1417 0.0075 -0.0092 0.0015  -0.0130 145  HIS A CD2  
1877 C  CE1  . HIS A 145 ? 0.1330 0.1658 0.0071 -0.0331 0.0101  -0.0010 145  HIS A CE1  
1878 N  NE2  . HIS A 145 ? 0.1430 0.1938 0.0153 -0.0085 0.0065  0.0016  145  HIS A NE2  
1879 H  H    . HIS A 145 ? 0.1020 0.1276 0.0072 0.0053  -0.0025 -0.0103 145  HIS A H    
1880 H  HA   . HIS A 145 ? 0.1097 0.1324 0.0076 0.0036  0.0023  -0.0123 145  HIS A HA   
1881 H  HB2  . HIS A 145 ? 0.1124 0.1390 0.0078 -0.0021 0.0033  -0.0136 145  HIS A HB2  
1882 H  HB3  . HIS A 145 ? 0.1127 0.1393 0.0077 -0.0022 0.0035  -0.0134 145  HIS A HB3  
1883 H  HD1  . HIS A 145 ? 0.1304 0.1304 0.1304 0.0000  0.0000  0.0000  145  HIS A HD1  
1884 H  HD2  . HIS A 145 ? 0.1056 0.1488 0.0074 -0.0085 0.0062  -0.0105 145  HIS A HD2  
1885 H  HE1  . HIS A 145 ? 0.1348 0.1770 0.0076 -0.0274 0.0123  0.0021  145  HIS A HE1  
1886 H  HE2  . HIS A 145 ? 0.1289 0.1289 0.1289 0.0000  0.0000  0.0000  145  HIS A HE2  
1887 N  N    . GLY A 146 ? 0.1376 0.1249 0.0092 0.0009  -0.0046 -0.0180 146  GLY A N    
1888 C  CA   . GLY A 146 ? 0.1360 0.1311 0.0088 -0.0063 -0.0021 -0.0174 146  GLY A CA   
1889 C  C    . GLY A 146 ? 0.1489 0.1237 0.0068 -0.0025 -0.0057 -0.0060 146  GLY A C    
1890 O  O    . GLY A 146 ? 0.1538 0.1309 0.0072 0.0031  -0.0112 -0.0023 146  GLY A O    
1891 H  H    . GLY A 146 ? 0.1314 0.1284 0.0083 0.0004  -0.0014 -0.0155 146  GLY A H    
1892 H  HA2  . GLY A 146 ? 0.1388 0.1284 0.0083 -0.0039 -0.0030 -0.0153 146  GLY A HA2  
1893 H  HA3  . GLY A 146 ? 0.1379 0.1281 0.0083 -0.0035 -0.0031 -0.0152 146  GLY A HA3  
1894 N  N    . ALA A 147 ? 0.1427 0.1283 0.0069 -0.0096 -0.0008 -0.0082 147  ALA A N    
1895 C  CA   . ALA A 147 ? 0.1360 0.1348 0.0072 -0.0121 -0.0072 -0.0070 147  ALA A CA   
1896 C  C    . ALA A 147 ? 0.1311 0.1345 0.0066 -0.0090 -0.0031 -0.0056 147  ALA A C    
1897 O  O    . ALA A 147 ? 0.1281 0.1306 0.0068 -0.0120 -0.0009 -0.0074 147  ALA A O    
1898 C  CB   . ALA A 147 ? 0.1393 0.1467 0.0095 -0.0184 0.0031  -0.0107 147  ALA A CB   
1899 H  H    . ALA A 147 ? 0.1426 0.1292 0.0070 -0.0086 -0.0031 -0.0084 147  ALA A H    
1900 H  HA   . ALA A 147 ? 0.1368 0.1348 0.0067 -0.0115 -0.0042 -0.0060 147  ALA A HA   
1901 H  HB1  . ALA A 147 ? 0.1384 0.1433 0.0070 -0.0164 -0.0002 -0.0100 147  ALA A HB1  
1902 H  HB2  . ALA A 147 ? 0.1387 0.1440 0.0069 -0.0167 -0.0003 -0.0094 147  ALA A HB2  
1903 H  HB3  . ALA A 147 ? 0.1385 0.1439 0.0093 -0.0169 0.0005  -0.0117 147  ALA A HB3  
1904 N  N    . PRO A 148 ? 0.1295 0.1260 0.0067 -0.0067 -0.0047 -0.0047 148  PRO A N    
1905 C  CA   . PRO A 148 ? 0.1314 0.1295 0.0071 -0.0031 -0.0047 -0.0088 148  PRO A CA   
1906 C  C    . PRO A 148 ? 0.1260 0.1155 0.0101 -0.0015 -0.0084 -0.0163 148  PRO A C    
1907 O  O    . PRO A 148 ? 0.1301 0.1331 0.0190 0.0007  -0.0099 -0.0185 148  PRO A O    
1908 C  CB   . PRO A 148 ? 0.1392 0.1287 0.0131 -0.0054 -0.0061 -0.0044 148  PRO A CB   
1909 C  CG   . PRO A 148 ? 0.1349 0.1418 0.0074 -0.0055 0.0047  -0.0028 148  PRO A CG   
1910 C  CD   . PRO A 148 ? 0.1318 0.1401 0.0066 -0.0017 -0.0016 0.0067  148  PRO A CD   
1911 H  HA   . PRO A 148 ? 0.1310 0.1258 0.0072 -0.0038 -0.0056 -0.0089 148  PRO A HA   
1912 H  HB2  . PRO A 148 ? 0.1372 0.1315 0.0099 -0.0048 -0.0033 -0.0051 148  PRO A HB2  
1913 H  HB3  . PRO A 148 ? 0.1366 0.1316 0.0098 -0.0049 -0.0034 -0.0051 148  PRO A HB3  
1914 H  HG2  . PRO A 148 ? 0.1349 0.1380 0.0078 -0.0051 0.0014  -0.0005 148  PRO A HG2  
1915 H  HG3  . PRO A 148 ? 0.1359 0.1383 0.0083 -0.0049 0.0011  -0.0009 148  PRO A HG3  
1916 H  HD2  . PRO A 148 ? 0.1321 0.1366 0.0063 -0.0036 -0.0008 0.0017  148  PRO A HD2  
1917 H  HD3  . PRO A 148 ? 0.1330 0.1368 0.0063 -0.0032 0.0001  0.0023  148  PRO A HD3  
1918 N  N    . GLY A 149 ? 0.1238 0.1237 0.0179 0.0049  -0.0016 -0.0175 149  GLY A N    
1919 C  CA   . GLY A 149 ? 0.1254 0.1290 0.0171 0.0044  -0.0046 -0.0242 149  GLY A CA   
1920 C  C    . GLY A 149 ? 0.1259 0.1317 0.0088 0.0039  0.0010  -0.0178 149  GLY A C    
1921 O  O    . GLY A 149 ? 0.1586 0.1396 0.0102 -0.0052 -0.0149 -0.0174 149  GLY A O    
1922 H  H    . GLY A 149 ? 0.1242 0.1227 0.0154 0.0033  -0.0040 -0.0185 149  GLY A H    
1923 H  HA2  . GLY A 149 ? 0.1260 0.1290 0.0135 0.0043  -0.0026 -0.0215 149  GLY A HA2  
1924 H  HA3  . GLY A 149 ? 0.1254 0.1284 0.0127 0.0043  -0.0026 -0.0215 149  GLY A HA3  
1925 N  N    . SER A 150 ? 0.1279 0.1336 0.0076 -0.0006 -0.0022 -0.0126 150  SER A N    
1926 C  CA   . SER A 150 ? 0.1223 0.1374 0.0079 -0.0048 0.0022  -0.0143 150  SER A CA   
1927 C  C    . SER A 150 ? 0.1234 0.1379 0.0082 -0.0107 -0.0010 -0.0155 150  SER A C    
1928 O  O    . SER A 150 ? 0.1218 0.1416 0.0093 -0.0045 -0.0043 -0.0193 150  SER A O    
1929 C  CB   . SER A 150 ? 0.1226 0.1480 0.0074 -0.0073 0.0050  -0.0113 150  SER A CB   
1930 O  OG   . SER A 150 ? 0.1209 0.1420 0.0066 -0.0111 0.0030  -0.0061 150  SER A OG   
1931 H  H    . SER A 150 ? 0.1260 0.1336 0.0078 -0.0002 -0.0009 -0.0137 150  SER A H    
1932 H  HA   . SER A 150 ? 0.1231 0.1384 0.0078 -0.0059 0.0005  -0.0141 150  SER A HA   
1933 H  HB2  . SER A 150 ? 0.1225 0.1442 0.0072 -0.0077 0.0040  -0.0107 150  SER A HB2  
1934 H  HB3  . SER A 150 ? 0.1231 0.1447 0.0072 -0.0074 0.0046  -0.0103 150  SER A HB3  
1935 H  HG   . SER A 150 ? 0.0878 0.0878 0.0878 0.0000  0.0000  0.0000  150  SER A HG   
1936 N  N    . GLN A 151 ? 0.1144 0.1329 0.0077 -0.0013 -0.0073 -0.0106 151  GLN A N    
1937 C  CA   . GLN A 151 ? 0.1175 0.1360 0.0069 0.0026  0.0020  -0.0089 151  GLN A CA   
1938 C  C    . GLN A 151 ? 0.1212 0.1352 0.0071 0.0060  -0.0073 -0.0066 151  GLN A C    
1939 O  O    . GLN A 151 ? 0.1135 0.1469 0.0073 0.0015  0.0024  -0.0115 151  GLN A O    
1940 C  CB   . GLN A 151 ? 0.1259 0.1432 0.0070 0.0040  0.0043  -0.0082 151  GLN A CB   
1941 C  CG   . GLN A 151 ? 0.1179 0.1441 0.0065 0.0046  0.0039  0.0040  151  GLN A CG   
1942 C  CD   . GLN A 151 ? 0.1183 0.1306 0.0063 0.0051  0.0000  -0.0012 151  GLN A CD   
1943 O  OE1  . GLN A 151 ? 0.1236 0.1258 0.0069 0.0059  -0.0083 0.0015  151  GLN A OE1  
1944 N  NE2  . GLN A 151 ? 0.1227 0.1316 0.0067 0.0051  -0.0071 0.0008  151  GLN A NE2  
1945 H  H    . GLN A 151 ? 0.1144 0.1346 0.0076 -0.0032 -0.0053 -0.0115 151  GLN A H    
1946 H  HA   . GLN A 151 ? 0.1190 0.1364 0.0069 0.0025  -0.0008 -0.0088 151  GLN A HA   
1947 H  HB2  . GLN A 151 ? 0.1233 0.1419 0.0067 0.0034  0.0037  -0.0058 151  GLN A HB2  
1948 H  HB3  . GLN A 151 ? 0.1224 0.1428 0.0067 0.0036  0.0038  -0.0064 151  GLN A HB3  
1949 H  HG2  . GLN A 151 ? 0.1199 0.1390 0.0064 0.0042  0.0033  0.0017  151  GLN A HG2  
1950 H  HG3  . GLN A 151 ? 0.1203 0.1406 0.0064 0.0041  0.0027  0.0008  151  GLN A HG3  
1951 H  HE21 . GLN A 151 ? 0.1214 0.1319 0.0065 0.0048  -0.0048 0.0002  151  GLN A HE21 
1952 H  HE22 . GLN A 151 ? 0.1214 0.1314 0.0065 0.0050  -0.0048 0.0000  151  GLN A HE22 
1953 N  N    . ASN A 152 ? 0.1106 0.1304 0.0073 0.0160  -0.0096 -0.0047 152  ASN A N    
1954 C  CA   . ASN A 152 ? 0.1278 0.1334 0.0063 0.0084  -0.0017 -0.0005 152  ASN A CA   
1955 C  C    . ASN A 152 ? 0.1353 0.1479 0.0063 0.0060  0.0000  -0.0012 152  ASN A C    
1956 O  O    . ASN A 152 ? 0.1434 0.1631 0.0070 0.0073  -0.0049 0.0089  152  ASN A O    
1957 C  CB   . ASN A 152 ? 0.1271 0.1377 0.0063 0.0078  0.0015  0.0010  152  ASN A CB   
1958 C  CG   . ASN A 152 ? 0.1217 0.1326 0.0072 0.0007  -0.0058 -0.0089 152  ASN A CG   
1959 O  OD1  . ASN A 152 ? 0.1289 0.1537 0.0071 0.0073  -0.0026 -0.0106 152  ASN A OD1  
1960 N  ND2  . ASN A 152 ? 0.1299 0.1451 0.0074 0.0046  -0.0075 -0.0095 152  ASN A ND2  
1961 H  H    . ASN A 152 ? 0.1137 0.1310 0.0069 0.0138  -0.0073 -0.0042 152  ASN A H    
1962 H  HA   . ASN A 152 ? 0.1262 0.1363 0.0063 0.0093  -0.0021 -0.0013 152  ASN A HA   
1963 H  HB2  . ASN A 152 ? 0.1259 0.1350 0.0063 0.0062  -0.0008 -0.0012 152  ASN A HB2  
1964 H  HB3  . ASN A 152 ? 0.1254 0.1356 0.0063 0.0063  -0.0006 -0.0018 152  ASN A HB3  
1965 H  HD21 . ASN A 152 ? 0.1278 0.1412 0.0073 0.0029  -0.0070 -0.0090 152  ASN A HD21 
1966 H  HD22 . ASN A 152 ? 0.1274 0.1411 0.0073 0.0032  -0.0068 -0.0093 152  ASN A HD22 
1967 N  N    . GLY A 153 ? 0.1290 0.1516 0.0063 0.0046  0.0010  0.0027  153  GLY A N    
1968 C  CA   . GLY A 153 ? 0.1309 0.1574 0.0074 0.0007  0.0076  -0.0101 153  GLY A CA   
1969 C  C    . GLY A 153 ? 0.1403 0.1647 0.0069 -0.0066 0.0012  -0.0094 153  GLY A C    
1970 O  O    . GLY A 153 ? 0.1310 0.1908 0.0078 -0.0095 0.0107  -0.0109 153  GLY A O    
1971 H  H    . GLY A 153 ? 0.1304 0.1488 0.0063 0.0046  0.0018  0.0011  153  GLY A H    
1972 H  HA2  . GLY A 153 ? 0.1328 0.1571 0.0068 0.0002  0.0049  -0.0069 153  GLY A HA2  
1973 H  HA3  . GLY A 153 ? 0.1340 0.1576 0.0070 -0.0002 0.0064  -0.0073 153  GLY A HA3  
1974 N  N    . PHE A 154 ? 0.1279 0.1659 0.0071 -0.0067 0.0037  -0.0104 154  PHE A N    
1975 C  CA   . PHE A 154 ? 0.1205 0.1571 0.0074 -0.0024 0.0079  -0.0096 154  PHE A CA   
1976 C  C    . PHE A 154 ? 0.1167 0.1511 0.0071 -0.0073 0.0034  -0.0106 154  PHE A C    
1977 O  O    . PHE A 154 ? 0.1273 0.1410 0.0065 -0.0176 -0.0032 -0.0034 154  PHE A O    
1978 C  CB   . PHE A 154 ? 0.1228 0.1426 0.0070 -0.0070 -0.0004 -0.0096 154  PHE A CB   
1979 C  CG   . PHE A 154 ? 0.1304 0.1478 0.0067 -0.0082 -0.0056 -0.0049 154  PHE A CG   
1980 C  CD1  . PHE A 154 ? 0.1381 0.1621 0.0069 0.0006  -0.0090 -0.0015 154  PHE A CD1  
1981 C  CD2  . PHE A 154 ? 0.1304 0.1343 0.0220 -0.0056 0.0102  -0.0033 154  PHE A CD2  
1982 C  CE1  . PHE A 154 ? 0.1466 0.1645 0.0095 0.0030  -0.0105 -0.0080 154  PHE A CE1  
1983 C  CE2  . PHE A 154 ? 0.1332 0.1462 0.0195 -0.0041 0.0020  -0.0050 154  PHE A CE2  
1984 C  CZ   . PHE A 154 ? 0.1430 0.1521 0.0261 0.0070  -0.0099 -0.0106 154  PHE A CZ   
1985 H  H    . PHE A 154 ? 0.1287 0.1631 0.0070 -0.0054 0.0043  -0.0098 154  PHE A H    
1986 H  HA   . PHE A 154 ? 0.1217 0.1545 0.0070 -0.0053 0.0050  -0.0087 154  PHE A HA   
1987 H  HB2  . PHE A 154 ? 0.1239 0.1470 0.0069 -0.0063 0.0005  -0.0094 154  PHE A HB2  
1988 H  HB3  . PHE A 154 ? 0.1232 0.1463 0.0068 -0.0068 0.0005  -0.0087 154  PHE A HB3  
1989 H  HD1  . PHE A 154 ? 0.1379 0.1593 0.0069 -0.0011 -0.0082 -0.0038 154  PHE A HD1  
1990 H  HD2  . PHE A 154 ? 0.1321 0.1408 0.0216 -0.0063 0.0073  -0.0056 154  PHE A HD2  
1991 H  HE1  . PHE A 154 ? 0.1434 0.1606 0.0097 0.0031  -0.0098 -0.0072 154  PHE A HE1  
1992 H  HE2  . PHE A 154 ? 0.1351 0.1452 0.0216 -0.0021 0.0017  -0.0062 154  PHE A HE2  
1993 H  HZ   . PHE A 154 ? 0.1402 0.1529 0.0202 0.0037  -0.0071 -0.0084 154  PHE A HZ   
1994 N  N    . ASP A 155 ? 0.1145 0.1462 0.0067 -0.0128 -0.0006 -0.0074 155  ASP A N    
1995 C  CA   . ASP A 155 ? 0.1167 0.1401 0.0066 -0.0094 0.0020  -0.0061 155  ASP A CA   
1996 C  C    . ASP A 155 ? 0.1205 0.1359 0.0066 -0.0077 -0.0008 -0.0064 155  ASP A C    
1997 O  O    . ASP A 155 ? 0.1168 0.1361 0.0065 0.0038  0.0029  -0.0033 155  ASP A O    
1998 C  CB   . ASP A 155 ? 0.1196 0.1406 0.0067 -0.0096 0.0044  -0.0057 155  ASP A CB   
1999 C  CG   . ASP A 155 ? 0.1197 0.1379 0.0066 -0.0049 -0.0034 -0.0048 155  ASP A CG   
2000 O  OD1  . ASP A 155 ? 0.1514 0.1411 0.0090 0.0035  0.0066  -0.0118 155  ASP A OD1  
2001 O  OD2  . ASP A 155 ? 0.1267 0.1469 0.0065 -0.0072 -0.0004 -0.0057 155  ASP A OD2  
2002 H  H    . ASP A 155 ? 0.1161 0.1474 0.0067 -0.0107 0.0009  -0.0080 155  ASP A H    
2003 H  HA   . ASP A 155 ? 0.1177 0.1406 0.0066 -0.0098 0.0013  -0.0065 155  ASP A HA   
2004 H  HB2  . ASP A 155 ? 0.1200 0.1401 0.0066 -0.0090 0.0024  -0.0058 155  ASP A HB2  
2005 H  HB3  . ASP A 155 ? 0.1191 0.1400 0.0065 -0.0086 0.0021  -0.0052 155  ASP A HB3  
2006 N  N    . ASN A 156 ? 0.1267 0.1396 0.0070 -0.0082 -0.0047 -0.0084 156  ASN A N    
2007 C  CA   . ASN A 156 ? 0.1214 0.1423 0.0070 -0.0132 -0.0033 -0.0084 156  ASN A CA   
2008 C  C    . ASN A 156 ? 0.1271 0.1469 0.0067 -0.0123 -0.0006 -0.0079 156  ASN A C    
2009 O  O    . ASN A 156 ? 0.1368 0.1479 0.0067 -0.0143 0.0061  -0.0055 156  ASN A O    
2010 C  CB   . ASN A 156 ? 0.1273 0.1454 0.0077 -0.0130 0.0022  -0.0138 156  ASN A CB   
2011 C  CG   . ASN A 156 ? 0.1238 0.1441 0.0090 -0.0089 0.0106  -0.0161 156  ASN A CG   
2012 O  OD1  . ASN A 156 ? 0.1247 0.1423 0.0083 -0.0044 0.0152  -0.0006 156  ASN A OD1  
2013 N  ND2  . ASN A 156 ? 0.1295 0.1544 0.0248 -0.0131 0.0073  -0.0021 156  ASN A ND2  
2014 H  H    . ASN A 156 ? 0.1238 0.1392 0.0069 -0.0090 -0.0033 -0.0078 156  ASN A H    
2015 H  HA   . ASN A 156 ? 0.1231 0.1430 0.0070 -0.0116 -0.0024 -0.0091 156  ASN A HA   
2016 H  HB2  . ASN A 156 ? 0.1253 0.1448 0.0075 -0.0119 0.0027  -0.0129 156  ASN A HB2  
2017 H  HB3  . ASN A 156 ? 0.1256 0.1448 0.0075 -0.0117 0.0025  -0.0129 156  ASN A HB3  
2018 H  HD21 . ASN A 156 ? 0.1283 0.1506 0.0144 -0.0114 0.0084  -0.0075 156  ASN A HD21 
2019 H  HD22 . ASN A 156 ? 0.1282 0.1507 0.0147 -0.0119 0.0090  -0.0074 156  ASN A HD22 
2020 N  N    . SER A 157 ? 0.1205 0.1384 0.0066 -0.0066 -0.0006 -0.0059 157  SER A N    
2021 C  CA   . SER A 157 ? 0.1266 0.1314 0.0066 -0.0047 -0.0019 -0.0053 157  SER A CA   
2022 C  C    . SER A 157 ? 0.1180 0.1328 0.0072 -0.0066 -0.0076 -0.0067 157  SER A C    
2023 O  O    . SER A 157 ? 0.1223 0.1310 0.0064 -0.0107 -0.0024 -0.0034 157  SER A O    
2024 C  CB   . SER A 157 ? 0.1205 0.1334 0.0065 -0.0064 -0.0018 -0.0045 157  SER A CB   
2025 O  OG   . SER A 157 ? 0.1322 0.1331 0.0070 -0.0088 -0.0040 -0.0084 157  SER A OG   
2026 H  H    . SER A 157 ? 0.1233 0.1387 0.0066 -0.0074 -0.0012 -0.0057 157  SER A H    
2027 H  HA   . SER A 157 ? 0.1226 0.1334 0.0066 -0.0057 -0.0023 -0.0058 157  SER A HA   
2028 H  HB2  . SER A 157 ? 0.1243 0.1325 0.0066 -0.0068 -0.0020 -0.0053 157  SER A HB2  
2029 H  HB3  . SER A 157 ? 0.1245 0.1327 0.0066 -0.0063 -0.0023 -0.0055 157  SER A HB3  
2030 H  HG   . SER A 157 ? 0.0894 0.0894 0.0894 0.0000  0.0000  0.0000  157  SER A HG   
2031 N  N    . GLY A 158 ? 0.1149 0.1338 0.0069 -0.0042 -0.0082 0.0014  158  GLY A N    
2032 C  CA   . GLY A 158 ? 0.1216 0.1345 0.0063 0.0003  -0.0017 -0.0018 158  GLY A CA   
2033 C  C    . GLY A 158 ? 0.1152 0.1420 0.0071 0.0026  0.0027  -0.0101 158  GLY A C    
2034 O  O    . GLY A 158 ? 0.1175 0.1569 0.0069 0.0041  0.0026  -0.0088 158  GLY A O    
2035 H  H    . GLY A 158 ? 0.1171 0.1329 0.0067 -0.0041 -0.0064 -0.0009 158  GLY A H    
2036 H  HA2  . GLY A 158 ? 0.1197 0.1359 0.0064 0.0000  -0.0020 -0.0025 158  GLY A HA2  
2037 H  HA3  . GLY A 158 ? 0.1187 0.1354 0.0064 -0.0005 -0.0022 -0.0023 158  GLY A HA3  
2038 N  N    . ARG A 159 ? 0.1179 0.1638 0.0074 0.0056  0.0035  -0.0123 159  ARG A N    
2039 C  CA   . ARG A 159 ? 0.1283 0.1744 0.0085 -0.0087 -0.0007 -0.0192 159  ARG A CA   
2040 C  C    . ARG A 159 ? 0.1186 0.1787 0.0098 -0.0139 -0.0026 -0.0238 159  ARG A C    
2041 O  O    . ARG A 159 ? 0.1279 0.1765 0.0078 -0.0025 0.0059  -0.0118 159  ARG A O    
2042 C  CB   . ARG A 159 ? 0.1452 0.1877 0.0223 -0.0091 -0.0150 -0.0190 159  ARG A CB   
2043 C  CG   . ARG A 159 ? 0.1845 0.2039 0.0534 -0.0046 -0.0239 -0.0463 159  ARG A CG   
2044 C  CD   . ARG A 159 ? 0.2258 0.2179 0.1164 -0.0044 -0.0323 -0.0590 159  ARG A CD   
2045 N  NE   . ARG A 159 ? 0.3057 0.2560 0.1962 0.0118  -0.0220 -0.1086 159  ARG A NE   
2046 C  CZ   . ARG A 159 ? 0.3621 0.2836 0.2811 -0.0409 -0.0288 -0.1309 159  ARG A CZ   
2047 N  NH1  . ARG A 159 ? 0.3694 0.2912 0.3418 -0.0642 -0.0460 -0.1313 159  ARG A NH1  
2048 N  NH2  . ARG A 159 ? 0.4193 0.3523 0.3417 -0.0357 0.0093  -0.1627 159  ARG A NH2  
2049 H  H    . ARG A 159 ? 0.1175 0.1595 0.0075 0.0024  0.0029  -0.0132 159  ARG A H    
2050 H  HA   . ARG A 159 ? 0.1266 0.1747 0.0084 -0.0065 -0.0021 -0.0186 159  ARG A HA   
2051 H  HB2  . ARG A 159 ? 0.1469 0.1862 0.0183 -0.0076 -0.0140 -0.0239 159  ARG A HB2  
2052 H  HB3  . ARG A 159 ? 0.1465 0.1865 0.0189 -0.0081 -0.0130 -0.0245 159  ARG A HB3  
2053 H  HG2  . ARG A 159 ? 0.1801 0.2018 0.0551 -0.0064 -0.0219 -0.0417 159  ARG A HG2  
2054 H  HG3  . ARG A 159 ? 0.1818 0.2015 0.0545 -0.0059 -0.0230 -0.0410 159  ARG A HG3  
2055 H  HD2  . ARG A 159 ? 0.2223 0.2180 0.1061 -0.0017 -0.0264 -0.0631 159  ARG A HD2  
2056 H  HD3  . ARG A 159 ? 0.2258 0.2196 0.1090 -0.0017 -0.0277 -0.0639 159  ARG A HD3  
2057 H  HE   . ARG A 159 ? 0.2924 0.2511 0.1894 0.0000  -0.0302 -0.1008 159  ARG A HE   
2058 H  HH11 . ARG A 159 ? 0.3631 0.2885 0.3293 -0.0561 -0.0430 -0.1232 159  ARG A HH11 
2059 H  HH12 . ARG A 159 ? 0.3659 0.2865 0.3237 -0.0577 -0.0410 -0.1306 159  ARG A HH12 
2060 H  HH21 . ARG A 159 ? 0.3987 0.3415 0.3191 -0.0320 -0.0045 -0.1484 159  ARG A HH21 
2061 H  HH22 . ARG A 159 ? 0.3983 0.3295 0.3175 -0.0313 -0.0089 -0.1521 159  ARG A HH22 
2062 N  N    . ARG A 160 ? 0.1222 0.1853 0.0086 -0.0138 0.0006  -0.0204 160  ARG A N    
2063 C  CA   . ARG A 160 ? 0.1539 0.1878 0.0115 -0.0149 -0.0024 -0.0302 160  ARG A CA   
2064 C  C    . ARG A 160 ? 0.1666 0.2020 0.0117 -0.0242 0.0007  -0.0322 160  ARG A C    
2065 O  O    . ARG A 160 ? 0.1822 0.1933 0.0192 -0.0118 -0.0155 -0.0316 160  ARG A O    
2066 C  CB   . ARG A 160 ? 0.1727 0.1909 0.0178 -0.0249 -0.0205 -0.0372 160  ARG A CB   
2067 C  CG   . ARG A 160 ? 0.1872 0.1976 0.0493 -0.0276 -0.0018 -0.0257 160  ARG A CG   
2068 C  CD   . ARG A 160 ? 0.1935 0.2287 0.0487 -0.0543 0.0129  -0.0343 160  ARG A CD   
2069 N  NE   . ARG A 160 ? 0.2204 0.2184 0.0183 -0.0561 0.0056  -0.0145 160  ARG A NE   
2070 C  CZ   . ARG A 160 ? 0.2054 0.1899 0.0256 -0.0380 0.0139  -0.0072 160  ARG A CZ   
2071 N  NH1  . ARG A 160 ? 0.1899 0.1689 0.0188 -0.0306 0.0166  -0.0025 160  ARG A NH1  
2072 N  NH2  . ARG A 160 ? 0.2369 0.2071 0.0374 -0.0314 0.0239  -0.0222 160  ARG A NH2  
2073 H  H    . ARG A 160 ? 0.1250 0.1838 0.0094 -0.0136 -0.0005 -0.0233 160  ARG A H    
2074 H  HA   . ARG A 160 ? 0.1506 0.1900 0.0114 -0.0166 -0.0026 -0.0301 160  ARG A HA   
2075 H  HB2  . ARG A 160 ? 0.1699 0.1912 0.0145 -0.0236 -0.0124 -0.0344 160  ARG A HB2  
2076 H  HB3  . ARG A 160 ? 0.1672 0.1897 0.0149 -0.0240 -0.0137 -0.0344 160  ARG A HB3  
2077 H  HG2  . ARG A 160 ? 0.1836 0.2005 0.0404 -0.0308 -0.0032 -0.0294 160  ARG A HG2  
2078 H  HG3  . ARG A 160 ? 0.1870 0.2026 0.0444 -0.0303 0.0003  -0.0278 160  ARG A HG3  
2079 H  HD2  . ARG A 160 ? 0.1996 0.2209 0.0414 -0.0498 0.0080  -0.0280 160  ARG A HD2  
2080 H  HD3  . ARG A 160 ? 0.1993 0.2188 0.0420 -0.0481 0.0086  -0.0270 160  ARG A HD3  
2081 H  HE   . ARG A 160 ? 0.2107 0.2143 0.0277 -0.0501 0.0095  -0.0168 160  ARG A HE   
2082 H  HH11 . ARG A 160 ? 0.1936 0.1752 0.0191 -0.0328 0.0169  -0.0051 160  ARG A HH11 
2083 H  HH12 . ARG A 160 ? 0.1928 0.1747 0.0200 -0.0335 0.0169  -0.0038 160  ARG A HH12 
2084 H  HH21 . ARG A 160 ? 0.2281 0.2028 0.0345 -0.0309 0.0182  -0.0183 160  ARG A HH21 
2085 H  HH22 . ARG A 160 ? 0.2263 0.2037 0.0337 -0.0325 0.0202  -0.0164 160  ARG A HH22 
2086 N  N    A GLY A 161 ? 0.1661 0.2258 0.0100 -0.0201 0.0012  -0.0284 161  GLY A N    
2087 N  N    B GLY A 161 ? 0.1662 0.2259 0.0100 -0.0201 0.0011  -0.0284 161  GLY A N    
2088 C  CA   A GLY A 161 ? 0.1898 0.2700 0.0124 -0.0133 -0.0116 -0.0367 161  GLY A CA   
2089 C  CA   B GLY A 161 ? 0.1900 0.2701 0.0124 -0.0133 -0.0117 -0.0367 161  GLY A CA   
2090 C  C    A GLY A 161 ? 0.2295 0.2990 0.0541 -0.0148 -0.0250 -0.0198 161  GLY A C    
2091 C  C    B GLY A 161 ? 0.2297 0.2993 0.0540 -0.0149 -0.0254 -0.0198 161  GLY A C    
2092 O  O    A GLY A 161 ? 0.2952 0.3594 0.0399 -0.0060 -0.0207 -0.0379 161  GLY A O    
2093 O  O    B GLY A 161 ? 0.2966 0.3600 0.0401 -0.0065 -0.0213 -0.0384 161  GLY A O    
2094 H  H    A GLY A 161 ? 0.1697 0.2257 0.0108 -0.0193 -0.0011 -0.0310 161  GLY A H    
2095 H  H    B GLY A 161 ? 0.1698 0.2257 0.0108 -0.0194 -0.0011 -0.0310 161  GLY A H    
2096 H  HA2  A GLY A 161 ? 0.1883 0.2628 0.0116 -0.0156 -0.0101 -0.0340 161  GLY A HA2  
2097 H  HA2  B GLY A 161 ? 0.1885 0.2629 0.0116 -0.0157 -0.0102 -0.0340 161  GLY A HA2  
2098 H  HA3  A GLY A 161 ? 0.1881 0.2600 0.0113 -0.0154 -0.0101 -0.0326 161  GLY A HA3  
2099 H  HA3  B GLY A 161 ? 0.1883 0.2600 0.0113 -0.0155 -0.0103 -0.0326 161  GLY A HA3  
2100 N  N    . ALA A 162 ? 0.1895 0.3095 0.0457 0.0078  0.0066  -0.0450 162  ALA A N    
2101 C  CA   . ALA A 162 ? 0.1978 0.2263 0.0186 -0.0180 0.0223  -0.0480 162  ALA A CA   
2102 C  C    . ALA A 162 ? 0.2009 0.2143 0.0091 -0.0165 0.0055  -0.0240 162  ALA A C    
2103 O  O    . ALA A 162 ? 0.1637 0.2320 0.0113 -0.0193 0.0165  -0.0029 162  ALA A O    
2104 C  CB   . ALA A 162 ? 0.2454 0.2433 0.0829 -0.0307 0.0686  -0.0461 162  ALA A CB   
2105 H  H    . ALA A 162 ? 0.2061 0.2828 0.0431 -0.0057 0.0030  -0.0372 162  ALA A H    
2106 H  HA   . ALA A 162 ? 0.2022 0.2364 0.0166 -0.0148 0.0234  -0.0432 162  ALA A HA   
2107 H  HB1  . ALA A 162 ? 0.2331 0.2374 0.0553 -0.0253 0.0519  -0.0485 162  ALA A HB1  
2108 H  HB2  . ALA A 162 ? 0.2297 0.2372 0.0677 -0.0274 0.0471  -0.0469 162  ALA A HB2  
2109 H  HB3  . ALA A 162 ? 0.2304 0.2401 0.0588 -0.0296 0.0550  -0.0520 162  ALA A HB3  
2110 N  N    . ILE A 163 ? 0.1693 0.1926 0.0075 -0.0217 0.0074  -0.0134 163  ILE A N    
2111 C  CA   . ILE A 163 ? 0.1667 0.1873 0.0065 -0.0147 0.0018  -0.0062 163  ILE A CA   
2112 C  C    . ILE A 163 ? 0.1684 0.1735 0.0095 -0.0222 -0.0038 -0.0220 163  ILE A C    
2113 O  O    . ILE A 163 ? 0.1791 0.1845 0.0169 -0.0344 -0.0223 -0.0111 163  ILE A O    
2114 C  CB   . ILE A 163 ? 0.1610 0.2068 0.0073 -0.0044 -0.0119 -0.0043 163  ILE A CB   
2115 C  CG1  . ILE A 163 ? 0.1741 0.2008 0.0109 0.0036  -0.0193 -0.0153 163  ILE A CG1  
2116 C  CG2  . ILE A 163 ? 0.1687 0.2290 0.0078 -0.0019 -0.0077 -0.0159 163  ILE A CG2  
2117 C  CD1  . ILE A 163 ? 0.1802 0.1973 0.0544 0.0061  -0.0223 0.0024  163  ILE A CD1  
2118 H  H    . ILE A 163 ? 0.1749 0.1961 0.0074 -0.0188 0.0055  -0.0140 163  ILE A H    
2119 H  HA   . ILE A 163 ? 0.1665 0.1882 0.0069 -0.0156 -0.0003 -0.0105 163  ILE A HA   
2120 H  HB   . ILE A 163 ? 0.1637 0.2053 0.0076 -0.0049 -0.0116 -0.0086 163  ILE A HB   
2121 H  HG12 . ILE A 163 ? 0.1711 0.2007 0.0106 0.0021  -0.0189 -0.0092 163  ILE A HG12 
2122 H  HG13 . ILE A 163 ? 0.1723 0.2014 0.0120 0.0020  -0.0195 -0.0094 163  ILE A HG13 
2123 H  HG21 . ILE A 163 ? 0.1670 0.2215 0.0074 -0.0025 -0.0080 -0.0122 163  ILE A HG21 
2124 H  HG22 . ILE A 163 ? 0.1670 0.2235 0.0075 -0.0020 -0.0088 -0.0123 163  ILE A HG22 
2125 H  HG23 . ILE A 163 ? 0.1674 0.2224 0.0075 -0.0031 -0.0090 -0.0121 163  ILE A HG23 
2126 H  HD11 . ILE A 163 ? 0.1806 0.1987 0.0473 0.0052  -0.0247 -0.0025 163  ILE A HD11 
2127 H  HD12 . ILE A 163 ? 0.1816 0.1987 0.0443 0.0062  -0.0187 -0.0023 163  ILE A HD12 
2128 H  HD13 . ILE A 163 ? 0.1791 0.1982 0.0417 0.0052  -0.0214 -0.0028 163  ILE A HD13 
2129 N  N    . GLN A 164 ? 0.1667 0.1628 0.0107 -0.0167 -0.0017 -0.0259 164  GLN A N    
2130 C  CA   . GLN A 164 ? 0.1739 0.1623 0.0076 -0.0194 0.0051  -0.0136 164  GLN A CA   
2131 C  C    . GLN A 164 ? 0.1499 0.1504 0.0099 -0.0117 0.0080  -0.0220 164  GLN A C    
2132 O  O    . GLN A 164 ? 0.1687 0.1542 0.0089 -0.0280 0.0116  -0.0181 164  GLN A O    
2133 C  CB   . GLN A 164 ? 0.1972 0.1871 0.0241 -0.0080 0.0086  -0.0194 164  GLN A CB   
2134 C  CG   . GLN A 164 ? 0.2536 0.2222 0.0410 0.0031  0.0382  -0.0210 164  GLN A CG   
2135 C  CD   . GLN A 164 ? 0.3183 0.2667 0.1515 0.0127  0.0415  -0.0519 164  GLN A CD   
2136 O  OE1  . GLN A 164 ? 0.3780 0.3896 0.3275 0.0567  0.0253  -0.0659 164  GLN A OE1  
2137 N  NE2  . GLN A 164 ? 0.4075 0.3341 0.1979 -0.0258 0.0473  -0.0548 164  GLN A NE2  
2138 H  H    . GLN A 164 ? 0.1666 0.1653 0.0096 -0.0189 -0.0014 -0.0224 164  GLN A H    
2139 H  HA   . GLN A 164 ? 0.1712 0.1632 0.0087 -0.0155 0.0052  -0.0190 164  GLN A HA   
2140 H  HB2  . GLN A 164 ? 0.1959 0.1837 0.0192 -0.0089 0.0123  -0.0183 164  GLN A HB2  
2141 H  HB3  . GLN A 164 ? 0.1973 0.1856 0.0206 -0.0083 0.0127  -0.0187 164  GLN A HB3  
2142 H  HG2  . GLN A 164 ? 0.2459 0.2161 0.0514 0.0024  0.0332  -0.0250 164  GLN A HG2  
2143 H  HG3  . GLN A 164 ? 0.2417 0.2165 0.0486 0.0024  0.0304  -0.0258 164  GLN A HG3  
2144 H  HE21 . GLN A 164 ? 0.3853 0.3089 0.1775 -0.0109 0.0412  -0.0520 164  GLN A HE21 
2145 H  HE22 . GLN A 164 ? 0.3834 0.3209 0.1828 -0.0206 0.0401  -0.0479 164  GLN A HE22 
2146 N  N    . TRP A 165 ? 0.1313 0.1484 0.0104 -0.0114 0.0146  -0.0199 165  TRP A N    
2147 C  CA   . TRP A 165 ? 0.1303 0.1476 0.0064 -0.0096 0.0019  -0.0042 165  TRP A CA   
2148 C  C    . TRP A 165 ? 0.1319 0.1468 0.0152 -0.0162 -0.0052 0.0035  165  TRP A C    
2149 O  O    . TRP A 165 ? 0.1422 0.1781 0.0199 -0.0155 -0.0065 0.0158  165  TRP A O    
2150 C  CB   . TRP A 165 ? 0.1280 0.1368 0.0079 -0.0093 0.0110  -0.0095 165  TRP A CB   
2151 C  CG   . TRP A 165 ? 0.1272 0.1336 0.0072 -0.0077 0.0042  -0.0103 165  TRP A CG   
2152 C  CD1  . TRP A 165 ? 0.1339 0.1376 0.0102 0.0028  0.0059  -0.0217 165  TRP A CD1  
2153 C  CD2  . TRP A 165 ? 0.1384 0.1442 0.0064 0.0011  -0.0002 -0.0034 165  TRP A CD2  
2154 N  NE1  . TRP A 165 ? 0.1313 0.1452 0.0079 0.0021  0.0032  -0.0143 165  TRP A NE1  
2155 C  CE2  . TRP A 165 ? 0.1379 0.1408 0.0065 -0.0026 -0.0012 -0.0051 165  TRP A CE2  
2156 C  CE3  . TRP A 165 ? 0.1522 0.1469 0.0066 0.0087  0.0001  -0.0066 165  TRP A CE3  
2157 C  CZ2  . TRP A 165 ? 0.1417 0.1380 0.0082 0.0081  -0.0105 -0.0127 165  TRP A CZ2  
2158 C  CZ3  . TRP A 165 ? 0.1628 0.1555 0.0068 0.0195  -0.0072 -0.0066 165  TRP A CZ3  
2159 C  CH2  . TRP A 165 ? 0.1541 0.1461 0.0067 0.0171  0.0025  -0.0068 165  TRP A CH2  
2160 H  H    . TRP A 165 ? 0.1354 0.1483 0.0088 -0.0115 0.0100  -0.0165 165  TRP A H    
2161 H  HA   . TRP A 165 ? 0.1302 0.1442 0.0067 -0.0106 0.0043  -0.0060 165  TRP A HA   
2162 H  HB2  . TRP A 165 ? 0.1279 0.1386 0.0072 -0.0091 0.0072  -0.0087 165  TRP A HB2  
2163 H  HB3  . TRP A 165 ? 0.1284 0.1390 0.0072 -0.0092 0.0073  -0.0088 165  TRP A HB3  
2164 H  HD1  . TRP A 165 ? 0.1313 0.1373 0.0088 0.0011  0.0048  -0.0173 165  TRP A HD1  
2165 H  HE1  . TRP A 165 ? 0.1337 0.1421 0.0077 0.0013  0.0026  -0.0135 165  TRP A HE1  
2166 H  HE3  . TRP A 165 ? 0.1502 0.1479 0.0066 0.0090  -0.0015 -0.0067 165  TRP A HE3  
2167 H  HZ2  . TRP A 165 ? 0.1429 0.1409 0.0075 0.0075  -0.0055 -0.0117 165  TRP A HZ2  
2168 H  HZ3  . TRP A 165 ? 0.1573 0.1506 0.0066 0.0160  -0.0030 -0.0067 165  TRP A HZ3  
2169 H  HH2  . TRP A 165 ? 0.1510 0.1448 0.0069 0.0158  -0.0018 -0.0091 165  TRP A HH2  
2170 N  N    . GLN A 166 ? 0.1285 0.1572 0.0065 -0.0155 0.0010  -0.0053 166  GLN A N    
2171 C  CA   . GLN A 166 ? 0.1301 0.1534 0.0068 -0.0106 0.0014  -0.0083 166  GLN A CA   
2172 C  C    . GLN A 166 ? 0.1519 0.1649 0.0314 -0.0170 -0.0177 -0.0141 166  GLN A C    
2173 O  O    . GLN A 166 ? 0.1756 0.1845 0.1113 -0.0360 -0.0091 -0.0365 166  GLN A O    
2174 C  CB   . GLN A 166 ? 0.1406 0.1426 0.0239 -0.0125 0.0065  -0.0048 166  GLN A CB   
2175 C  CG   . GLN A 166 ? 0.1482 0.1560 0.0064 0.0056  0.0035  -0.0029 166  GLN A CG   
2176 C  CD   . GLN A 166 ? 0.1529 0.1517 0.0109 0.0049  -0.0020 -0.0009 166  GLN A CD   
2177 O  OE1  . GLN A 166 ? 0.1789 0.1755 0.0193 0.0144  -0.0074 0.0173  166  GLN A OE1  
2178 N  NE2  . GLN A 166 ? 0.1485 0.1545 0.0112 0.0015  -0.0030 -0.0030 166  GLN A NE2  
2179 H  H    . GLN A 166 ? 0.1294 0.1537 0.0064 -0.0143 -0.0005 -0.0038 166  GLN A H    
2180 H  HA   . GLN A 166 ? 0.1346 0.1538 0.0066 -0.0135 0.0011  -0.0063 166  GLN A HA   
2181 H  HB2  . GLN A 166 ? 0.1397 0.1489 0.0185 -0.0077 0.0028  -0.0073 166  GLN A HB2  
2182 H  HB3  . GLN A 166 ? 0.1386 0.1483 0.0131 -0.0085 0.0042  -0.0059 166  GLN A HB3  
2183 H  HG2  . GLN A 166 ? 0.1472 0.1511 0.0064 0.0007  0.0043  -0.0009 166  GLN A HG2  
2184 H  HG3  . GLN A 166 ? 0.1486 0.1519 0.0064 0.0015  0.0033  -0.0025 166  GLN A HG3  
2185 H  HE21 . GLN A 166 ? 0.1499 0.1538 0.0109 0.0025  -0.0026 -0.0023 166  GLN A HE21 
2186 H  HE22 . GLN A 166 ? 0.1502 0.1540 0.0111 0.0024  -0.0026 -0.0023 166  GLN A HE22 
2187 N  N    . GLN A 167 ? 0.1753 0.1646 0.0216 -0.0201 -0.0098 -0.0168 167  GLN A N    
2188 C  CA   A GLN A 167 ? 0.1847 0.1636 0.0196 -0.0268 -0.0233 -0.0224 167  GLN A CA   
2189 C  CA   B GLN A 167 ? 0.1819 0.1698 0.0227 -0.0266 -0.0188 -0.0233 167  GLN A CA   
2190 C  C    . GLN A 167 ? 0.1814 0.1618 0.0171 -0.0269 -0.0256 -0.0253 167  GLN A C    
2191 O  O    . GLN A 167 ? 0.1938 0.1499 0.0168 -0.0145 -0.0322 -0.0240 167  GLN A O    
2192 C  CB   A GLN A 167 ? 0.2045 0.1688 0.0165 -0.0255 -0.0305 -0.0257 167  GLN A CB   
2193 C  CB   B GLN A 167 ? 0.1994 0.1941 0.0156 -0.0266 -0.0207 -0.0333 167  GLN A CB   
2194 C  CG   A GLN A 167 ? 0.2406 0.1704 0.0181 -0.0287 -0.0399 -0.0232 167  GLN A CG   
2195 C  CG   B GLN A 167 ? 0.2383 0.2147 0.0397 -0.0275 -0.0251 -0.0238 167  GLN A CG   
2196 C  CD   A GLN A 167 ? 0.2618 0.1868 0.0461 -0.0290 -0.0546 -0.0100 167  GLN A CD   
2197 C  CD   B GLN A 167 ? 0.2751 0.2802 0.0714 -0.0217 -0.0040 -0.0022 167  GLN A CD   
2198 O  OE1  A GLN A 167 ? 0.3078 0.1845 0.0544 -0.0448 -0.0970 0.0081  167  GLN A OE1  
2199 O  OE1  B GLN A 167 ? 0.3767 0.3233 0.1493 0.0074  -0.0084 -0.0223 167  GLN A OE1  
2200 N  NE2  A GLN A 167 ? 0.2706 0.2022 0.0572 -0.0234 -0.0631 -0.0112 167  GLN A NE2  
2201 N  NE2  B GLN A 167 ? 0.3074 0.3281 0.1508 0.0026  -0.0048 0.0265  167  GLN A NE2  
2202 H  H    . GLN A 167 ? 0.1735 0.1655 0.0229 -0.0212 -0.0152 -0.0181 167  GLN A H    
2203 H  HA   A GLN A 167 ? 0.1851 0.1643 0.0171 -0.0255 -0.0228 -0.0229 167  GLN A HA   
2204 H  HA   B GLN A 167 ? 0.1826 0.1711 0.0206 -0.0255 -0.0188 -0.0241 167  GLN A HA   
2205 H  HB2  A GLN A 167 ? 0.2058 0.1689 0.0165 -0.0265 -0.0312 -0.0250 167  GLN A HB2  
2206 H  HB2  B GLN A 167 ? 0.2006 0.1921 0.0226 -0.0268 -0.0211 -0.0290 167  GLN A HB2  
2207 H  HB3  A GLN A 167 ? 0.2068 0.1668 0.0166 -0.0267 -0.0310 -0.0252 167  GLN A HB3  
2208 H  HB3  B GLN A 167 ? 0.2011 0.1906 0.0212 -0.0268 -0.0211 -0.0292 167  GLN A HB3  
2209 H  HG2  A GLN A 167 ? 0.2337 0.1703 0.0184 -0.0283 -0.0405 -0.0229 167  GLN A HG2  
2210 H  HG2  B GLN A 167 ? 0.2324 0.2161 0.0360 -0.0257 -0.0195 -0.0224 167  GLN A HG2  
2211 H  HG3  A GLN A 167 ? 0.2342 0.1722 0.0182 -0.0281 -0.0408 -0.0222 167  GLN A HG3  
2212 H  HG3  B GLN A 167 ? 0.2308 0.2151 0.0357 -0.0259 -0.0198 -0.0227 167  GLN A HG3  
2213 H  HE21 A GLN A 167 ? 0.2685 0.1995 0.0539 -0.0240 -0.0599 -0.0100 167  GLN A HE21 
2214 H  HE21 B GLN A 167 ? 0.2984 0.3093 0.1207 -0.0074 -0.0066 0.0163  167  GLN A HE21 
2215 H  HE22 A GLN A 167 ? 0.2685 0.1976 0.0537 -0.0249 -0.0600 -0.0106 167  GLN A HE22 
2216 H  HE22 B GLN A 167 ? 0.3006 0.3086 0.1309 -0.0049 -0.0130 0.0148  167  GLN A HE22 
2217 N  N    . GLY A 168 ? 0.2026 0.1593 0.0467 -0.0266 -0.0260 -0.0397 168  GLY A N    
2218 C  CA   . GLY A 168 ? 0.2150 0.1415 0.0497 -0.0234 -0.0226 -0.0358 168  GLY A CA   
2219 C  C    . GLY A 168 ? 0.2125 0.1350 0.0493 -0.0281 -0.0172 -0.0318 168  GLY A C    
2220 O  O    . GLY A 168 ? 0.2111 0.1623 0.0548 -0.0323 -0.0091 -0.0135 168  GLY A O    
2221 H  H    . GLY A 168 ? 0.2004 0.1567 0.0403 -0.0257 -0.0235 -0.0344 168  GLY A H    
2222 H  HA2  . GLY A 168 ? 0.2117 0.1447 0.0489 -0.0251 -0.0221 -0.0357 168  GLY A HA2  
2223 H  HA3  . GLY A 168 ? 0.2124 0.1444 0.0489 -0.0253 -0.0223 -0.0357 168  GLY A HA3  
2224 N  N    . ASP A 169 ? 0.2211 0.1354 0.0434 -0.0239 -0.0226 -0.0350 169  ASP A N    
2225 C  CA   . ASP A 169 ? 0.2268 0.1382 0.0417 -0.0265 -0.0201 -0.0205 169  ASP A CA   
2226 C  C    . ASP A 169 ? 0.1934 0.1356 0.0114 -0.0169 -0.0143 -0.0177 169  ASP A C    
2227 O  O    . ASP A 169 ? 0.2053 0.1400 0.0139 -0.0213 -0.0221 -0.0136 169  ASP A O    
2228 C  CB   . ASP A 169 ? 0.2658 0.1510 0.0628 -0.0292 -0.0401 -0.0092 169  ASP A CB   
2229 C  CG   . ASP A 169 ? 0.3073 0.1720 0.1661 -0.0535 -0.0245 -0.0194 169  ASP A CG   
2230 O  OD1  . ASP A 169 ? 0.3280 0.2125 0.1912 -0.0714 -0.0083 -0.0230 169  ASP A OD1  
2231 O  OD2  . ASP A 169 ? 0.4141 0.1856 0.2668 -0.0533 -0.0097 -0.0540 169  ASP A OD2  
2232 H  H    . ASP A 169 ? 0.2200 0.1360 0.0445 -0.0253 -0.0207 -0.0310 169  ASP A H    
2233 H  HA   . ASP A 169 ? 0.2248 0.1395 0.0394 -0.0247 -0.0222 -0.0208 169  ASP A HA   
2234 H  HB2  . ASP A 169 ? 0.2627 0.1504 0.0706 -0.0329 -0.0329 -0.0140 169  ASP A HB2  
2235 H  HB3  . ASP A 169 ? 0.2598 0.1501 0.0640 -0.0325 -0.0323 -0.0148 169  ASP A HB3  
2236 N  N    . THR A 170 ? 0.1805 0.1386 0.0085 -0.0146 -0.0089 -0.0145 170  THR A N    
2237 C  CA   . THR A 170 ? 0.1530 0.1429 0.0072 -0.0081 -0.0089 -0.0069 170  THR A CA   
2238 C  C    . THR A 170 ? 0.1374 0.1458 0.0082 -0.0092 -0.0112 -0.0105 170  THR A C    
2239 O  O    . THR A 170 ? 0.1377 0.1446 0.0088 -0.0061 -0.0103 -0.0149 170  THR A O    
2240 C  CB   . THR A 170 ? 0.1447 0.1373 0.0081 -0.0078 -0.0101 -0.0113 170  THR A CB   
2241 O  OG1  . THR A 170 ? 0.1505 0.1256 0.0089 -0.0031 -0.0176 -0.0067 170  THR A OG1  
2242 C  CG2  . THR A 170 ? 0.1507 0.1318 0.0160 0.0054  -0.0088 -0.0213 170  THR A CG2  
2243 H  H    . THR A 170 ? 0.1776 0.1389 0.0085 -0.0137 -0.0100 -0.0138 170  THR A H    
2244 H  HA   . THR A 170 ? 0.1530 0.1418 0.0078 -0.0091 -0.0097 -0.0099 170  THR A HA   
2245 H  HB   . THR A 170 ? 0.1479 0.1342 0.0084 -0.0050 -0.0114 -0.0118 170  THR A HB   
2246 H  HG1  . THR A 170 ? 0.0963 0.0963 0.0963 0.0000  0.0000  0.0000  170  THR A HG1  
2247 H  HG21 . THR A 170 ? 0.1490 0.1351 0.0123 0.0015  -0.0097 -0.0204 170  THR A HG21 
2248 H  HG22 . THR A 170 ? 0.1492 0.1343 0.0107 0.0015  -0.0095 -0.0189 170  THR A HG22 
2249 H  HG23 . THR A 170 ? 0.1495 0.1340 0.0108 0.0013  -0.0093 -0.0190 170  THR A HG23 
2250 N  N    . VAL A 171 ? 0.1366 0.1508 0.0093 -0.0018 -0.0090 -0.0184 171  VAL A N    
2251 C  CA   . VAL A 171 ? 0.1388 0.1577 0.0088 -0.0022 -0.0020 -0.0192 171  VAL A CA   
2252 C  C    . VAL A 171 ? 0.1378 0.1621 0.0082 -0.0058 -0.0048 -0.0163 171  VAL A C    
2253 O  O    . VAL A 171 ? 0.1403 0.1666 0.0087 -0.0009 -0.0084 -0.0173 171  VAL A O    
2254 C  CB   . VAL A 171 ? 0.1451 0.1740 0.0246 -0.0023 -0.0095 -0.0225 171  VAL A CB   
2255 C  CG1  . VAL A 171 ? 0.1809 0.1976 0.0357 0.0131  -0.0071 -0.0256 171  VAL A CG1  
2256 C  CG2  . VAL A 171 ? 0.1399 0.1774 0.0351 0.0008  -0.0032 -0.0255 171  VAL A CG2  
2257 H  H    . VAL A 171 ? 0.1371 0.1509 0.0089 -0.0040 -0.0084 -0.0169 171  VAL A H    
2258 H  HA   . VAL A 171 ? 0.1391 0.1593 0.0090 -0.0030 -0.0053 -0.0193 171  VAL A HA   
2259 H  HB   . VAL A 171 ? 0.1468 0.1728 0.0233 0.0000  -0.0065 -0.0231 171  VAL A HB   
2260 H  HG11 . VAL A 171 ? 0.1708 0.1928 0.0327 0.0107  -0.0069 -0.0240 171  VAL A HG11 
2261 H  HG12 . VAL A 171 ? 0.1687 0.1912 0.0345 0.0085  -0.0077 -0.0265 171  VAL A HG12 
2262 H  HG13 . VAL A 171 ? 0.1716 0.1907 0.0330 0.0074  -0.0070 -0.0251 171  VAL A HG13 
2263 H  HG21 . VAL A 171 ? 0.1410 0.1763 0.0318 0.0000  -0.0051 -0.0244 171  VAL A HG21 
2264 H  HG22 . VAL A 171 ? 0.1413 0.1759 0.0314 -0.0002 -0.0052 -0.0242 171  VAL A HG22 
2265 H  HG23 . VAL A 171 ? 0.1415 0.1766 0.0318 0.0001  -0.0051 -0.0244 171  VAL A HG23 
2266 N  N    . GLU A 172 ? 0.1528 0.1493 0.0091 -0.0102 -0.0096 -0.0170 172  GLU A N    
2267 C  CA   . GLU A 172 ? 0.1673 0.1689 0.0064 -0.0181 -0.0023 -0.0038 172  GLU A CA   
2268 C  C    . GLU A 172 ? 0.1670 0.1558 0.0070 -0.0132 -0.0075 0.0079  172  GLU A C    
2269 O  O    . GLU A 172 ? 0.1535 0.1618 0.0075 -0.0044 -0.0079 0.0113  172  GLU A O    
2270 C  CB   . GLU A 172 ? 0.1847 0.1798 0.0603 -0.0285 -0.0041 -0.0086 172  GLU A CB   
2271 C  CG   . GLU A 172 ? 0.2544 0.2238 0.1199 -0.0477 0.0045  0.0146  172  GLU A CG   
2272 C  CD   . GLU A 172 ? 0.3443 0.2514 0.1872 -0.0880 -0.0487 0.0148  172  GLU A CD   
2273 O  OE1  . GLU A 172 ? 0.4581 0.3237 0.2699 -0.1595 -0.1084 -0.0008 172  GLU A OE1  
2274 O  OE2  . GLU A 172 ? 0.4644 0.3327 0.3436 -0.0393 -0.0486 0.1238  172  GLU A OE2  
2275 H  H    . GLU A 172 ? 0.1507 0.1544 0.0089 -0.0123 -0.0090 -0.0164 172  GLU A H    
2276 H  HA   . GLU A 172 ? 0.1655 0.1629 0.0076 -0.0166 -0.0051 -0.0057 172  GLU A HA   
2277 H  HB2  . GLU A 172 ? 0.1864 0.1819 0.0505 -0.0288 -0.0025 -0.0031 172  GLU A HB2  
2278 H  HB3  . GLU A 172 ? 0.1881 0.1822 0.0521 -0.0293 -0.0034 -0.0025 172  GLU A HB3  
2279 H  HG2  . GLU A 172 ? 0.2483 0.2113 0.1079 -0.0479 -0.0063 0.0078  172  GLU A HG2  
2280 H  HG3  . GLU A 172 ? 0.2442 0.2124 0.1118 -0.0488 -0.0083 0.0092  172  GLU A HG3  
2281 N  N    . GLN A 173 ? 0.1531 0.1553 0.0079 -0.0109 -0.0146 -0.0030 173  GLN A N    
2282 C  CA   . GLN A 173 ? 0.1494 0.1499 0.0066 -0.0012 -0.0051 -0.0041 173  GLN A CA   
2283 C  C    . GLN A 173 ? 0.1413 0.1403 0.0063 0.0079  -0.0004 -0.0023 173  GLN A C    
2284 O  O    . GLN A 173 ? 0.1439 0.1480 0.0120 0.0046  -0.0132 0.0200  173  GLN A O    
2285 C  CB   . GLN A 173 ? 0.1583 0.1484 0.0100 0.0014  -0.0086 -0.0216 173  GLN A CB   
2286 C  CG   . GLN A 173 ? 0.1719 0.1509 0.0369 0.0083  -0.0123 -0.0218 173  GLN A CG   
2287 C  CD   . GLN A 173 ? 0.1823 0.1668 0.0603 0.0094  0.0061  -0.0441 173  GLN A CD   
2288 O  OE1  . GLN A 173 ? 0.2087 0.2088 0.0471 0.0226  0.0064  -0.0414 173  GLN A OE1  
2289 N  NE2  . GLN A 173 ? 0.2399 0.1831 0.0953 0.0218  0.0180  -0.0524 173  GLN A NE2  
2290 H  H    . GLN A 173 ? 0.1554 0.1541 0.0071 -0.0089 -0.0108 -0.0015 173  GLN A H    
2291 H  HA   . GLN A 173 ? 0.1502 0.1480 0.0068 -0.0005 -0.0068 -0.0054 173  GLN A HA   
2292 H  HB2  . GLN A 173 ? 0.1588 0.1495 0.0091 0.0020  -0.0085 -0.0183 173  GLN A HB2  
2293 H  HB3  . GLN A 173 ? 0.1583 0.1492 0.0090 0.0021  -0.0087 -0.0179 173  GLN A HB3  
2294 H  HG2  . GLN A 173 ? 0.1696 0.1522 0.0307 0.0078  -0.0088 -0.0254 173  GLN A HG2  
2295 H  HG3  . GLN A 173 ? 0.1709 0.1529 0.0312 0.0068  -0.0082 -0.0259 173  GLN A HG3  
2296 H  HE21 . GLN A 173 ? 0.2160 0.1801 0.0848 0.0182  0.0114  -0.0521 173  GLN A HE21 
2297 H  HE22 . GLN A 173 ? 0.2180 0.1782 0.0873 0.0168  0.0102  -0.0482 173  GLN A HE22 
2298 N  N    . THR A 174 ? 0.1269 0.1391 0.0067 0.0101  0.0055  -0.0034 174  THR A N    
2299 C  CA   . THR A 174 ? 0.1250 0.1313 0.0068 -0.0017 0.0077  -0.0008 174  THR A CA   
2300 C  C    . THR A 174 ? 0.1289 0.1414 0.0065 0.0001  0.0045  0.0031  174  THR A C    
2301 O  O    . THR A 174 ? 0.1208 0.1452 0.0067 -0.0103 0.0030  0.0069  174  THR A O    
2302 C  CB   . THR A 174 ? 0.1339 0.1430 0.0066 -0.0013 0.0031  -0.0055 174  THR A CB   
2303 O  OG1  . THR A 174 ? 0.1359 0.1339 0.0066 0.0079  -0.0016 -0.0065 174  THR A OG1  
2304 C  CG2  . THR A 174 ? 0.1289 0.1485 0.0070 0.0010  0.0003  -0.0098 174  THR A CG2  
2305 H  H    . THR A 174 ? 0.1295 0.1377 0.0065 0.0065  0.0042  -0.0027 174  THR A H    
2306 H  HA   . THR A 174 ? 0.1262 0.1367 0.0066 0.0006  0.0058  -0.0013 174  THR A HA   
2307 H  HB   . THR A 174 ? 0.1322 0.1401 0.0066 0.0008  0.0023  -0.0055 174  THR A HB   
2308 H  HG1  . THR A 174 ? 0.0863 0.0863 0.0863 0.0000  0.0000  0.0000  174  THR A HG1  
2309 H  HG21 . THR A 174 ? 0.1306 0.1473 0.0068 0.0000  0.0014  -0.0086 174  THR A HG21 
2310 H  HG22 . THR A 174 ? 0.1302 0.1469 0.0068 0.0002  0.0012  -0.0083 174  THR A HG22 
2311 H  HG23 . THR A 174 ? 0.1304 0.1470 0.0067 0.0001  0.0007  -0.0077 174  THR A HG23 
2312 N  N    . LEU A 175 ? 0.1289 0.1463 0.0064 -0.0072 -0.0028 -0.0023 175  LEU A N    
2313 C  CA   . LEU A 175 ? 0.1409 0.1544 0.0063 0.0016  0.0011  0.0002  175  LEU A CA   
2314 C  C    . LEU A 175 ? 0.1405 0.1586 0.0064 -0.0019 -0.0044 -0.0013 175  LEU A C    
2315 O  O    . LEU A 175 ? 0.1455 0.1799 0.0066 -0.0106 -0.0005 -0.0070 175  LEU A O    
2316 C  CB   . LEU A 175 ? 0.1406 0.1455 0.0069 -0.0013 -0.0002 0.0092  175  LEU A CB   
2317 C  CG   . LEU A 175 ? 0.1391 0.1674 0.0146 -0.0006 -0.0025 0.0067  175  LEU A CG   
2318 C  CD1  . LEU A 175 ? 0.1547 0.1716 0.0353 -0.0035 -0.0032 0.0053  175  LEU A CD1  
2319 C  CD2  . LEU A 175 ? 0.1396 0.1702 0.0097 -0.0107 -0.0045 0.0119  175  LEU A CD2  
2320 H  H    . LEU A 175 ? 0.1293 0.1454 0.0063 -0.0048 -0.0021 -0.0018 175  LEU A H    
2321 H  HA   . LEU A 175 ? 0.1379 0.1526 0.0063 -0.0015 -0.0008 0.0011  175  LEU A HA   
2322 H  HB2  . LEU A 175 ? 0.1404 0.1512 0.0065 -0.0006 -0.0004 0.0060  175  LEU A HB2  
2323 H  HB3  . LEU A 175 ? 0.1403 0.1520 0.0066 -0.0006 -0.0003 0.0065  175  LEU A HB3  
2324 H  HG   . LEU A 175 ? 0.1420 0.1639 0.0149 -0.0029 -0.0031 0.0076  175  LEU A HG   
2325 H  HD11 . LEU A 175 ? 0.1508 0.1714 0.0304 -0.0035 -0.0024 0.0047  175  LEU A HD11 
2326 H  HD12 . LEU A 175 ? 0.1508 0.1707 0.0330 -0.0025 -0.0049 0.0051  175  LEU A HD12 
2327 H  HD13 . LEU A 175 ? 0.1499 0.1711 0.0295 -0.0028 -0.0033 0.0058  175  LEU A HD13 
2328 H  HD21 . LEU A 175 ? 0.1388 0.1689 0.0104 -0.0082 -0.0037 0.0103  175  LEU A HD21 
2329 H  HD22 . LEU A 175 ? 0.1393 0.1691 0.0094 -0.0080 -0.0035 0.0108  175  LEU A HD22 
2330 H  HD23 . LEU A 175 ? 0.1397 0.1695 0.0107 -0.0082 -0.0036 0.0103  175  LEU A HD23 
2331 N  N    . ASP A 176 ? 0.1452 0.1617 0.0064 0.0065  -0.0040 0.0023  176  ASP A N    
2332 C  CA   . ASP A 176 ? 0.1517 0.1576 0.0107 0.0070  0.0050  0.0139  176  ASP A CA   
2333 C  C    . ASP A 176 ? 0.1566 0.1689 0.0063 0.0127  0.0023  0.0013  176  ASP A C    
2334 O  O    . ASP A 176 ? 0.1598 0.1844 0.0096 0.0051  -0.0081 0.0037  176  ASP A O    
2335 C  CB   . ASP A 176 ? 0.1846 0.1667 0.0367 -0.0033 0.0011  0.0034  176  ASP A CB   
2336 C  CG   . ASP A 176 ? 0.2255 0.1746 0.0877 -0.0085 -0.0093 0.0114  176  ASP A CG   
2337 O  OD1  . ASP A 176 ? 0.2441 0.2059 0.1066 -0.0430 -0.0184 0.0314  176  ASP A OD1  
2338 O  OD2  . ASP A 176 ? 0.3029 0.2073 0.1742 0.0047  -0.0327 -0.0281 176  ASP A OD2  
2339 H  H    . ASP A 176 ? 0.1449 0.1596 0.0064 0.0041  -0.0029 0.0026  176  ASP A H    
2340 H  HA   . ASP A 176 ? 0.1549 0.1618 0.0069 0.0054  0.0039  0.0086  176  ASP A HA   
2341 H  HB2  . ASP A 176 ? 0.1820 0.1655 0.0382 -0.0014 0.0001  0.0075  176  ASP A HB2  
2342 H  HB3  . ASP A 176 ? 0.1837 0.1662 0.0389 -0.0021 0.0011  0.0069  176  ASP A HB3  
2343 N  N    . ALA A 177 ? 0.1393 0.1660 0.0063 0.0105  0.0019  0.0015  177  ALA A N    
2344 C  CA   . ALA A 177 ? 0.1244 0.1790 0.0064 0.0097  0.0034  -0.0017 177  ALA A CA   
2345 C  C    . ALA A 177 ? 0.1122 0.1633 0.0067 0.0002  -0.0068 0.0004  177  ALA A C    
2346 O  O    . ALA A 177 ? 0.1230 0.1759 0.0098 -0.0003 -0.0194 0.0069  177  ALA A O    
2347 C  CB   . ALA A 177 ? 0.1182 0.2030 0.0067 0.0159  0.0045  -0.0060 177  ALA A CB   
2348 H  H    . ALA A 177 ? 0.1397 0.1698 0.0064 0.0108  0.0030  0.0008  177  ALA A H    
2349 H  HA   . ALA A 177 ? 0.1241 0.1774 0.0063 0.0085  0.0015  -0.0016 177  ALA A HA   
2350 H  HB1  . ALA A 177 ? 0.1208 0.1957 0.0066 0.0144  0.0043  -0.0045 177  ALA A HB1  
2351 H  HB2  . ALA A 177 ? 0.1203 0.1959 0.0066 0.0140  0.0042  -0.0045 177  ALA A HB2  
2352 H  HB3  . ALA A 177 ? 0.1203 0.1956 0.0066 0.0141  0.0042  -0.0046 177  ALA A HB3  
2353 N  N    . PHE A 178 ? 0.1085 0.1522 0.0076 0.0029  -0.0105 -0.0058 178  PHE A N    
2354 C  CA   . PHE A 178 ? 0.1179 0.1362 0.0065 -0.0047 -0.0045 0.0018  178  PHE A CA   
2355 C  C    . PHE A 178 ? 0.1257 0.1451 0.0069 -0.0042 -0.0068 0.0061  178  PHE A C    
2356 O  O    . PHE A 178 ? 0.1303 0.1490 0.0107 -0.0050 0.0049  0.0040  178  PHE A O    
2357 C  CB   . PHE A 178 ? 0.1197 0.1328 0.0068 -0.0054 -0.0046 0.0068  178  PHE A CB   
2358 C  CG   . PHE A 178 ? 0.1197 0.1338 0.0098 -0.0076 -0.0080 0.0042  178  PHE A CG   
2359 C  CD1  . PHE A 178 ? 0.1489 0.1491 0.0080 -0.0039 -0.0139 -0.0067 178  PHE A CD1  
2360 C  CD2  . PHE A 178 ? 0.1273 0.1465 0.0096 -0.0135 -0.0109 -0.0016 178  PHE A CD2  
2361 C  CE1  . PHE A 178 ? 0.1474 0.1559 0.0209 -0.0075 -0.0097 -0.0111 178  PHE A CE1  
2362 C  CE2  . PHE A 178 ? 0.1417 0.1505 0.0175 -0.0097 -0.0174 -0.0027 178  PHE A CE2  
2363 C  CZ   . PHE A 178 ? 0.1445 0.1450 0.0284 -0.0041 -0.0060 -0.0114 178  PHE A CZ   
2364 H  H    . PHE A 178 ? 0.1107 0.1506 0.0072 0.0000  -0.0093 -0.0032 178  PHE A H    
2365 H  HA   . PHE A 178 ? 0.1169 0.1397 0.0067 -0.0039 -0.0061 0.0021  178  PHE A HA   
2366 H  HB2  . PHE A 178 ? 0.1192 0.1336 0.0067 -0.0059 -0.0044 0.0056  178  PHE A HB2  
2367 H  HB3  . PHE A 178 ? 0.1194 0.1338 0.0067 -0.0059 -0.0052 0.0052  178  PHE A HB3  
2368 H  HD1  . PHE A 178 ? 0.1406 0.1480 0.0076 -0.0050 -0.0119 -0.0053 178  PHE A HD1  
2369 H  HD2  . PHE A 178 ? 0.1281 0.1442 0.0100 -0.0111 -0.0107 -0.0004 178  PHE A HD2  
2370 H  HE1  . PHE A 178 ? 0.1474 0.1513 0.0174 -0.0060 -0.0116 -0.0101 178  PHE A HE1  
2371 H  HE2  . PHE A 178 ? 0.1386 0.1488 0.0177 -0.0090 -0.0133 -0.0047 178  PHE A HE2  
2372 H  HZ   . PHE A 178 ? 0.1440 0.1466 0.0229 -0.0056 -0.0093 -0.0102 178  PHE A HZ   
2373 N  N    . ASP A 179 ? 0.1416 0.1464 0.0066 -0.0115 0.0013  0.0068  179  ASP A N    
2374 C  CA   . ASP A 179 ? 0.1505 0.1488 0.0069 0.0074  0.0077  0.0054  179  ASP A CA   
2375 C  C    . ASP A 179 ? 0.1542 0.1400 0.0077 0.0062  0.0017  -0.0135 179  ASP A C    
2376 O  O    . ASP A 179 ? 0.1655 0.1410 0.0082 -0.0059 0.0150  -0.0090 179  ASP A O    
2377 C  CB   . ASP A 179 ? 0.1587 0.1642 0.0153 -0.0063 0.0026  0.0069  179  ASP A CB   
2378 C  CG   . ASP A 179 ? 0.2205 0.1817 0.0527 -0.0193 0.0373  0.0350  179  ASP A CG   
2379 O  OD1  . ASP A 179 ? 0.2918 0.2059 0.1069 -0.0300 0.0749  0.0110  179  ASP A OD1  
2380 O  OD2  . ASP A 179 ? 0.2905 0.2900 0.1046 0.0038  0.0252  0.0949  179  ASP A OD2  
2381 H  H    . ASP A 179 ? 0.1387 0.1460 0.0065 -0.0060 0.0002  0.0054  179  ASP A H    
2382 H  HA   . ASP A 179 ? 0.1495 0.1478 0.0065 0.0023  0.0052  0.0014  179  ASP A HA   
2383 H  HB2  . ASP A 179 ? 0.1605 0.1619 0.0118 -0.0046 0.0089  0.0120  179  ASP A HB2  
2384 H  HB3  . ASP A 179 ? 0.1631 0.1625 0.0126 -0.0053 0.0095  0.0124  179  ASP A HB3  
2385 N  N    . LEU A 180 ? 0.1341 0.1423 0.0066 0.0002  0.0033  -0.0056 180  LEU A N    
2386 C  CA   . LEU A 180 ? 0.1481 0.1390 0.0066 0.0054  -0.0046 0.0041  180  LEU A CA   
2387 C  C    . LEU A 180 ? 0.1405 0.1498 0.0074 -0.0012 -0.0123 0.0014  180  LEU A C    
2388 O  O    . LEU A 180 ? 0.1531 0.1257 0.0067 -0.0123 -0.0074 0.0020  180  LEU A O    
2389 C  CB   . LEU A 180 ? 0.1496 0.1400 0.0077 0.0111  -0.0129 0.0042  180  LEU A CB   
2390 C  CG   . LEU A 180 ? 0.1747 0.1450 0.0103 0.0093  -0.0257 -0.0051 180  LEU A CG   
2391 C  CD1  . LEU A 180 ? 0.1845 0.1492 0.0103 0.0025  -0.0174 -0.0184 180  LEU A CD1  
2392 C  CD2  . LEU A 180 ? 0.1953 0.1421 0.0160 0.0007  -0.0330 0.0071  180  LEU A CD2  
2393 H  H    . LEU A 180 ? 0.1422 0.1413 0.0065 0.0028  0.0010  -0.0046 180  LEU A H    
2394 H  HA   . LEU A 180 ? 0.1445 0.1413 0.0066 0.0038  -0.0054 0.0027  180  LEU A HA   
2395 H  HB2  . LEU A 180 ? 0.1544 0.1406 0.0076 0.0092  -0.0134 0.0028  180  LEU A HB2  
2396 H  HB3  . LEU A 180 ? 0.1530 0.1409 0.0078 0.0094  -0.0142 0.0024  180  LEU A HB3  
2397 H  HG   . LEU A 180 ? 0.1727 0.1444 0.0096 0.0070  -0.0233 -0.0034 180  LEU A HG   
2398 H  HD11 . LEU A 180 ? 0.1819 0.1474 0.0100 0.0041  -0.0198 -0.0149 180  LEU A HD11 
2399 H  HD12 . LEU A 180 ? 0.1837 0.1480 0.0098 0.0038  -0.0187 -0.0152 180  LEU A HD12 
2400 H  HD13 . LEU A 180 ? 0.1818 0.1481 0.0101 0.0046  -0.0200 -0.0151 180  LEU A HD13 
2401 H  HD21 . LEU A 180 ? 0.1907 0.1437 0.0119 0.0021  -0.0318 0.0039  180  LEU A HD21 
2402 H  HD22 . LEU A 180 ? 0.1907 0.1432 0.0117 0.0033  -0.0301 0.0035  180  LEU A HD22 
2403 H  HD23 . LEU A 180 ? 0.1893 0.1429 0.0116 0.0031  -0.0310 0.0032  180  LEU A HD23 
2404 N  N    . LEU A 181 ? 0.1396 0.1585 0.0064 -0.0094 -0.0018 0.0026  181  LEU A N    
2405 C  CA   . LEU A 181 ? 0.1479 0.1628 0.0076 -0.0022 -0.0098 0.0102  181  LEU A CA   
2406 C  C    . LEU A 181 ? 0.1311 0.1478 0.0075 -0.0070 -0.0038 -0.0001 181  LEU A C    
2407 O  O    . LEU A 181 ? 0.1336 0.1447 0.0119 -0.0016 -0.0138 -0.0024 181  LEU A O    
2408 C  CB   . LEU A 181 ? 0.1529 0.1786 0.0119 -0.0063 -0.0136 0.0278  181  LEU A CB   
2409 C  CG   . LEU A 181 ? 0.1540 0.1828 0.0284 -0.0159 -0.0074 0.0178  181  LEU A CG   
2410 C  CD1  . LEU A 181 ? 0.1500 0.1784 0.0177 -0.0149 -0.0082 0.0314  181  LEU A CD1  
2411 C  CD2  . LEU A 181 ? 0.1679 0.1800 0.0345 -0.0138 -0.0020 0.0304  181  LEU A CD2  
2412 H  H    . LEU A 181 ? 0.1413 0.1572 0.0067 -0.0059 -0.0064 0.0039  181  LEU A H    
2413 H  HA   . LEU A 181 ? 0.1446 0.1609 0.0073 -0.0055 -0.0075 0.0096  181  LEU A HA   
2414 H  HB2  . LEU A 181 ? 0.1520 0.1765 0.0105 -0.0082 -0.0127 0.0236  181  LEU A HB2  
2415 H  HB3  . LEU A 181 ? 0.1519 0.1753 0.0100 -0.0076 -0.0117 0.0221  181  LEU A HB3  
2416 H  HG   . LEU A 181 ? 0.1550 0.1801 0.0220 -0.0132 -0.0077 0.0243  181  LEU A HG   
2417 H  HD11 . LEU A 181 ? 0.1510 0.1789 0.0199 -0.0152 -0.0083 0.0281  181  LEU A HD11 
2418 H  HD12 . LEU A 181 ? 0.1511 0.1794 0.0202 -0.0151 -0.0084 0.0283  181  LEU A HD12 
2419 H  HD13 . LEU A 181 ? 0.1506 0.1783 0.0168 -0.0144 -0.0092 0.0292  181  LEU A HD13 
2420 H  HD21 . LEU A 181 ? 0.1653 0.1810 0.0325 -0.0146 -0.0038 0.0268  181  LEU A HD21 
2421 H  HD22 . LEU A 181 ? 0.1640 0.1816 0.0335 -0.0148 -0.0040 0.0275  181  LEU A HD22 
2422 H  HD23 . LEU A 181 ? 0.1638 0.1808 0.0327 -0.0146 -0.0037 0.0268  181  LEU A HD23 
2423 N  N    . ALA A 182 ? 0.1247 0.1318 0.0105 -0.0034 -0.0162 -0.0154 182  ALA A N    
2424 C  CA   . ALA A 182 ? 0.1365 0.1385 0.0116 0.0045  -0.0122 -0.0163 182  ALA A CA   
2425 C  C    . ALA A 182 ? 0.1175 0.1430 0.0080 -0.0014 -0.0041 -0.0130 182  ALA A C    
2426 O  O    . ALA A 182 ? 0.1581 0.1473 0.0261 -0.0011 -0.0014 -0.0281 182  ALA A O    
2427 C  CB   . ALA A 182 ? 0.1378 0.1597 0.0261 0.0066  -0.0164 -0.0220 182  ALA A CB   
2428 H  H    . ALA A 182 ? 0.1265 0.1348 0.0098 -0.0044 -0.0148 -0.0142 182  ALA A H    
2429 H  HA   . ALA A 182 ? 0.1306 0.1411 0.0117 0.0019  -0.0122 -0.0162 182  ALA A HA   
2430 H  HB1  . ALA A 182 ? 0.1382 0.1539 0.0235 0.0054  -0.0158 -0.0197 182  ALA A HB1  
2431 H  HB2  . ALA A 182 ? 0.1378 0.1543 0.0249 0.0055  -0.0144 -0.0217 182  ALA A HB2  
2432 H  HB3  . ALA A 182 ? 0.1378 0.1553 0.0224 0.0063  -0.0150 -0.0202 182  ALA A HB3  
2433 N  N    . GLU A 183 ? 0.1374 0.1395 0.0066 -0.0032 0.0003  -0.0069 183  GLU A N    
2434 C  CA   . GLU A 183 ? 0.1440 0.1563 0.0077 -0.0033 0.0138  0.0006  183  GLU A CA   
2435 C  C    . GLU A 183 ? 0.1514 0.1548 0.0066 -0.0039 0.0063  0.0000  183  GLU A C    
2436 O  O    . GLU A 183 ? 0.1751 0.1664 0.0063 -0.0125 0.0019  -0.0003 183  GLU A O    
2437 C  CB   . GLU A 183 ? 0.1558 0.1666 0.0083 -0.0047 0.0136  0.0108  183  GLU A CB   
2438 C  CG   . GLU A 183 ? 0.1660 0.1630 0.0117 -0.0075 0.0217  0.0187  183  GLU A CG   
2439 C  CD   . GLU A 183 ? 0.1650 0.1645 0.0542 -0.0134 0.0239  0.0309  183  GLU A CD   
2440 O  OE1  . GLU A 183 ? 0.1698 0.1605 0.0565 0.0095  0.0146  0.0316  183  GLU A OE1  
2441 O  OE2  . GLU A 183 ? 0.1648 0.1886 0.0393 -0.0158 0.0268  0.0330  183  GLU A OE2  
2442 H  H    . GLU A 183 ? 0.1334 0.1431 0.0067 -0.0029 0.0020  -0.0072 183  GLU A H    
2443 H  HA   . GLU A 183 ? 0.1423 0.1532 0.0074 -0.0026 0.0124  -0.0004 183  GLU A HA   
2444 H  HB2  . GLU A 183 ? 0.1550 0.1629 0.0085 -0.0050 0.0151  0.0098  183  GLU A HB2  
2445 H  HB3  . GLU A 183 ? 0.1560 0.1632 0.0084 -0.0053 0.0144  0.0103  183  GLU A HB3  
2446 H  HG2  . GLU A 183 ? 0.1638 0.1641 0.0143 -0.0078 0.0211  0.0195  183  GLU A HG2  
2447 H  HG3  . GLU A 183 ? 0.1622 0.1641 0.0134 -0.0077 0.0217  0.0192  183  GLU A HG3  
2448 N  N    . ARG A 184 ? 0.1479 0.1423 0.0069 -0.0057 0.0096  -0.0010 184  ARG A N    
2449 C  CA   . ARG A 184 ? 0.1404 0.1459 0.0068 0.0053  0.0082  0.0021  184  ARG A CA   
2450 C  C    . ARG A 184 ? 0.1378 0.1397 0.0064 0.0107  0.0027  -0.0010 184  ARG A C    
2451 O  O    . ARG A 184 ? 0.1745 0.1404 0.0086 0.0136  -0.0192 -0.0049 184  ARG A O    
2452 C  CB   . ARG A 184 ? 0.1301 0.1315 0.0072 0.0078  0.0103  0.0034  184  ARG A CB   
2453 C  CG   . ARG A 184 ? 0.1336 0.1321 0.0068 0.0047  0.0084  0.0004  184  ARG A CG   
2454 C  CD   . ARG A 184 ? 0.1361 0.1292 0.0094 0.0063  0.0202  0.0013  184  ARG A CD   
2455 N  NE   . ARG A 184 ? 0.1402 0.1187 0.0109 -0.0002 0.0142  -0.0055 184  ARG A NE   
2456 C  CZ   . ARG A 184 ? 0.1308 0.1322 0.0514 0.0019  0.0017  -0.0032 184  ARG A CZ   
2457 N  NH1  . ARG A 184 ? 0.1711 0.1287 0.0869 0.0026  0.0063  -0.0172 184  ARG A NH1  
2458 N  NH2  . ARG A 184 ? 0.1371 0.1444 0.0745 0.0053  -0.0097 0.0057  184  ARG A NH2  
2459 H  H    . ARG A 184 ? 0.1467 0.1458 0.0069 -0.0026 0.0090  0.0000  184  ARG A H    
2460 H  HA   . ARG A 184 ? 0.1396 0.1415 0.0068 0.0045  0.0079  0.0010  184  ARG A HA   
2461 H  HB2  . ARG A 184 ? 0.1332 0.1343 0.0070 0.0065  0.0093  0.0024  184  ARG A HB2  
2462 H  HB3  . ARG A 184 ? 0.1330 0.1339 0.0070 0.0068  0.0091  0.0029  184  ARG A HB3  
2463 H  HG2  . ARG A 184 ? 0.1333 0.1307 0.0073 0.0057  0.0112  0.0011  184  ARG A HG2  
2464 H  HG3  . ARG A 184 ? 0.1332 0.1309 0.0073 0.0059  0.0111  0.0018  184  ARG A HG3  
2465 H  HD2  . ARG A 184 ? 0.1369 0.1292 0.0083 0.0049  0.0162  0.0001  184  ARG A HD2  
2466 H  HD3  . ARG A 184 ? 0.1365 0.1282 0.0083 0.0044  0.0159  -0.0006 184  ARG A HD3  
2467 H  HE   . ARG A 184 ? 0.1367 0.1223 0.0184 0.0007  0.0126  -0.0036 184  ARG A HE   
2468 H  HH11 . ARG A 184 ? 0.1616 0.1306 0.0729 0.0037  0.0030  -0.0122 184  ARG A HH11 
2469 H  HH12 . ARG A 184 ? 0.1576 0.1309 0.0737 0.0023  0.0040  -0.0116 184  ARG A HH12 
2470 H  HH21 . ARG A 184 ? 0.1358 0.1415 0.0662 0.0037  -0.0056 0.0029  184  ARG A HH21 
2471 H  HH22 . ARG A 184 ? 0.1357 0.1423 0.0652 0.0050  -0.0050 0.0036  184  ARG A HH22 
2472 N  N    . TYR A 185 ? 0.1289 0.1384 0.0065 0.0026  -0.0044 -0.0026 185  TYR A N    
2473 C  CA   . TYR A 185 ? 0.1396 0.1430 0.0063 0.0025  -0.0016 0.0007  185  TYR A CA   
2474 C  C    . TYR A 185 ? 0.1435 0.1356 0.0066 0.0009  -0.0045 -0.0042 185  TYR A C    
2475 O  O    . TYR A 185 ? 0.1576 0.1443 0.0147 -0.0060 0.0079  -0.0137 185  TYR A O    
2476 C  CB   . TYR A 185 ? 0.1380 0.1482 0.0070 0.0041  -0.0089 0.0038  185  TYR A CB   
2477 C  CG   . TYR A 185 ? 0.1364 0.1477 0.0064 -0.0007 -0.0009 0.0046  185  TYR A CG   
2478 C  CD1  . TYR A 185 ? 0.1367 0.1559 0.0066 -0.0053 0.0056  0.0028  185  TYR A CD1  
2479 C  CD2  . TYR A 185 ? 0.1275 0.1542 0.0065 0.0006  -0.0008 0.0061  185  TYR A CD2  
2480 C  CE1  . TYR A 185 ? 0.1325 0.1484 0.0063 -0.0077 -0.0012 -0.0003 185  TYR A CE1  
2481 C  CE2  . TYR A 185 ? 0.1249 0.1617 0.0070 0.0069  -0.0025 0.0103  185  TYR A CE2  
2482 C  CZ   . TYR A 185 ? 0.1199 0.1384 0.0065 0.0008  0.0052  0.0019  185  TYR A CZ   
2483 O  OH   . TYR A 185 ? 0.1139 0.1372 0.0157 0.0004  0.0028  0.0005  185  TYR A OH   
2484 H  H    . TYR A 185 ? 0.1307 0.1395 0.0064 0.0037  -0.0036 -0.0020 185  TYR A H    
2485 H  HA   . TYR A 185 ? 0.1397 0.1416 0.0064 0.0026  -0.0030 -0.0003 185  TYR A HA   
2486 H  HB2  . TYR A 185 ? 0.1371 0.1471 0.0066 0.0024  -0.0058 0.0032  185  TYR A HB2  
2487 H  HB3  . TYR A 185 ? 0.1380 0.1475 0.0066 0.0024  -0.0054 0.0033  185  TYR A HB3  
2488 H  HD1  . TYR A 185 ? 0.1353 0.1528 0.0065 -0.0045 0.0023  0.0042  185  TYR A HD1  
2489 H  HD2  . TYR A 185 ? 0.1285 0.1540 0.0066 0.0015  -0.0015 0.0065  185  TYR A HD2  
2490 H  HE1  . TYR A 185 ? 0.1292 0.1474 0.0063 -0.0050 0.0012  0.0009  185  TYR A HE1  
2491 H  HE2  . TYR A 185 ? 0.1243 0.1545 0.0068 0.0038  -0.0002 0.0085  185  TYR A HE2  
2492 H  HH   . TYR A 185 ? 0.0908 0.0908 0.0908 0.0000  0.0000  0.0000  185  TYR A HH   
2493 N  N    . LEU A 186 ? 0.1452 0.1452 0.0067 0.0073  0.0046  -0.0054 186  LEU A N    
2494 C  CA   . LEU A 186 ? 0.1469 0.1649 0.0071 0.0061  0.0104  -0.0029 186  LEU A CA   
2495 C  C    . LEU A 186 ? 0.1568 0.1899 0.0098 0.0039  0.0193  -0.0134 186  LEU A C    
2496 O  O    . LEU A 186 ? 0.1897 0.2276 0.0334 0.0190  -0.0056 -0.0502 186  LEU A O    
2497 C  CB   . LEU A 186 ? 0.1469 0.1772 0.0186 0.0059  0.0169  0.0100  186  LEU A CB   
2498 C  CG   . LEU A 186 ? 0.1788 0.2154 0.0292 0.0001  -0.0013 0.0302  186  LEU A CG   
2499 C  CD1  . LEU A 186 ? 0.1653 0.2234 0.0091 0.0028  -0.0004 0.0247  186  LEU A CD1  
2500 C  CD2  . LEU A 186 ? 0.1827 0.2327 0.0151 0.0131  0.0127  0.0371  186  LEU A CD2  
2501 H  H    . LEU A 186 ? 0.1448 0.1461 0.0065 0.0054  0.0033  -0.0045 186  LEU A H    
2502 H  HA   . LEU A 186 ? 0.1486 0.1662 0.0073 0.0058  0.0118  -0.0025 186  LEU A HA   
2503 H  HB2  . LEU A 186 ? 0.1517 0.1789 0.0147 0.0050  0.0123  0.0104  186  LEU A HB2  
2504 H  HB3  . LEU A 186 ? 0.1506 0.1790 0.0139 0.0062  0.0132  0.0092  186  LEU A HB3  
2505 H  HG   . LEU A 186 ? 0.1688 0.2127 0.0213 0.0025  0.0043  0.0273  186  LEU A HG   
2506 H  HD11 . LEU A 186 ? 0.1687 0.2211 0.0093 0.0019  -0.0016 0.0255  186  LEU A HD11 
2507 H  HD12 . LEU A 186 ? 0.1688 0.2210 0.0123 0.0021  -0.0008 0.0261  186  LEU A HD12 
2508 H  HD13 . LEU A 186 ? 0.1688 0.2210 0.0124 0.0021  -0.0008 0.0259  186  LEU A HD13 
2509 H  HD21 . LEU A 186 ? 0.1807 0.2259 0.0187 0.0091  0.0084  0.0346  186  LEU A HD21 
2510 H  HD22 . LEU A 186 ? 0.1806 0.2272 0.0192 0.0089  0.0083  0.0353  186  LEU A HD22 
2511 H  HD23 . LEU A 186 ? 0.1809 0.2269 0.0179 0.0092  0.0080  0.0352  186  LEU A HD23 
2512 N  N    . GLY A 187 ? 0.1993 0.1641 0.0075 -0.0017 0.0147  -0.0025 187  GLY A N    
2513 C  CA   . GLY A 187 ? 0.2195 0.1817 0.0073 -0.0369 0.0143  -0.0004 187  GLY A CA   
2514 C  C    . GLY A 187 ? 0.2310 0.1928 0.0067 -0.0396 0.0098  -0.0028 187  GLY A C    
2515 O  O    . GLY A 187 ? 0.3195 0.2476 0.0125 -0.0984 0.0382  -0.0298 187  GLY A O    
2516 H  H    . GLY A 187 ? 0.1909 0.1715 0.0079 -0.0058 0.0162  -0.0057 187  GLY A H    
2517 H  HA2  . GLY A 187 ? 0.2171 0.1803 0.0071 -0.0282 0.0134  -0.0018 187  GLY A HA2  
2518 H  HA3  . GLY A 187 ? 0.2186 0.1820 0.0072 -0.0295 0.0139  -0.0022 187  GLY A HA3  
2519 N  N    . SER A 188 ? 0.2090 0.1788 0.0193 -0.0241 0.0092  0.0128  188  SER A N    
2520 C  CA   . SER A 188 ? 0.1921 0.1809 0.0105 -0.0132 0.0000  0.0136  188  SER A CA   
2521 C  C    . SER A 188 ? 0.1756 0.1779 0.0090 -0.0144 -0.0032 0.0214  188  SER A C    
2522 O  O    . SER A 188 ? 0.1889 0.1881 0.0107 -0.0229 -0.0063 0.0282  188  SER A O    
2523 C  CB   . SER A 188 ? 0.1942 0.1921 0.0523 -0.0166 0.0153  0.0110  188  SER A CB   
2524 O  OG   . SER A 188 ? 0.1994 0.1833 0.1170 -0.0215 0.0261  0.0237  188  SER A OG   
2525 H  H    . SER A 188 ? 0.2094 0.1835 0.0190 -0.0244 0.0078  0.0116  188  SER A H    
2526 H  HA   . SER A 188 ? 0.1917 0.1819 0.0100 -0.0163 0.0014  0.0148  188  SER A HA   
2527 H  HB2  . SER A 188 ? 0.1961 0.1904 0.0524 -0.0175 0.0133  0.0143  188  SER A HB2  
2528 H  HB3  . SER A 188 ? 0.1958 0.1889 0.0526 -0.0174 0.0137  0.0142  188  SER A HB3  
2529 H  HG   . SER A 188 ? 0.1699 0.1699 0.1699 0.0000  0.0000  0.0000  188  SER A HG   
2530 N  N    . ASP A 189 ? 0.1940 0.2082 0.0094 -0.0173 0.0005  0.0248  189  ASP A N    
2531 C  CA   . ASP A 189 ? 0.1832 0.2295 0.0165 0.0002  0.0387  0.0195  189  ASP A CA   
2532 C  C    . ASP A 189 ? 0.1912 0.1925 0.0068 -0.0108 0.0091  0.0014  189  ASP A C    
2533 O  O    . ASP A 189 ? 0.1928 0.1802 0.0146 0.0070  0.0295  -0.0021 189  ASP A O    
2534 C  CB   . ASP A 189 ? 0.2654 0.2696 0.0171 0.0349  0.0482  0.0285  189  ASP A CB   
2535 C  CG   . ASP A 189 ? 0.3307 0.3082 0.0949 0.0355  0.0462  0.0681  189  ASP A CG   
2536 O  OD1  . ASP A 189 ? 0.3342 0.4187 0.2482 0.0641  0.0780  0.0964  189  ASP A OD1  
2537 O  OD2  . ASP A 189 ? 0.4520 0.3415 0.1667 0.0091  0.0125  0.0385  189  ASP A OD2  
2538 H  H    . ASP A 189 ? 0.1836 0.2022 0.0092 -0.0113 0.0014  0.0238  189  ASP A H    
2539 H  HA   . ASP A 189 ? 0.1945 0.2181 0.0111 -0.0005 0.0246  0.0184  189  ASP A HA   
2540 H  HB2  . ASP A 189 ? 0.2448 0.2624 0.0241 0.0266  0.0452  0.0312  189  ASP A HB2  
2541 H  HB3  . ASP A 189 ? 0.2525 0.2635 0.0246 0.0271  0.0479  0.0342  189  ASP A HB3  
2542 N  N    . THR A 190 ? 0.1723 0.1624 0.0065 -0.0233 -0.0057 -0.0003 190  THR A N    
2543 C  CA   . THR A 190 ? 0.1513 0.1500 0.0064 -0.0238 -0.0008 -0.0043 190  THR A CA   
2544 C  C    . THR A 190 ? 0.1434 0.1510 0.0067 -0.0142 -0.0069 0.0028  190  THR A C    
2545 O  O    . THR A 190 ? 0.1583 0.1540 0.0069 -0.0164 0.0086  0.0030  190  THR A O    
2546 C  CB   . THR A 190 ? 0.1564 0.1509 0.0066 -0.0159 -0.0007 -0.0069 190  THR A CB   
2547 O  OG1  . THR A 190 ? 0.1794 0.1973 0.0130 -0.0217 -0.0231 -0.0231 190  THR A OG1  
2548 C  CG2  . THR A 190 ? 0.1599 0.1464 0.0066 -0.0182 0.0064  0.0000  190  THR A CG2  
2549 H  H    . THR A 190 ? 0.1695 0.1638 0.0063 -0.0202 -0.0015 -0.0004 190  THR A H    
2550 H  HA   . THR A 190 ? 0.1545 0.1514 0.0064 -0.0202 -0.0026 -0.0029 190  THR A HA   
2551 H  HB   . THR A 190 ? 0.1597 0.1548 0.0068 -0.0187 -0.0026 -0.0076 190  THR A HB   
2552 H  HG1  . THR A 190 ? 0.1366 0.1366 0.1366 0.0000  0.0000  0.0000  190  THR A HG1  
2553 H  HG21 . THR A 190 ? 0.1593 0.1480 0.0064 -0.0174 0.0044  -0.0018 190  THR A HG21 
2554 H  HG22 . THR A 190 ? 0.1589 0.1475 0.0064 -0.0172 0.0043  -0.0017 190  THR A HG22 
2555 H  HG23 . THR A 190 ? 0.1595 0.1488 0.0065 -0.0166 0.0058  -0.0002 190  THR A HG23 
2556 N  N    . VAL A 191 ? 0.1318 0.1549 0.0102 -0.0092 -0.0176 0.0157  191  VAL A N    
2557 C  CA   . VAL A 191 ? 0.1323 0.1624 0.0077 -0.0138 -0.0107 0.0098  191  VAL A CA   
2558 C  C    . VAL A 191 ? 0.1325 0.1645 0.0081 -0.0093 -0.0050 0.0165  191  VAL A C    
2559 O  O    . VAL A 191 ? 0.1526 0.2065 0.0471 -0.0080 0.0030  0.0511  191  VAL A O    
2560 C  CB   . VAL A 191 ? 0.1455 0.1502 0.0096 -0.0156 -0.0021 0.0218  191  VAL A CB   
2561 C  CG1  . VAL A 191 ? 0.1669 0.1576 0.0153 -0.0214 -0.0084 0.0112  191  VAL A CG1  
2562 C  CG2  . VAL A 191 ? 0.1626 0.1559 0.0155 -0.0168 0.0003  0.0064  191  VAL A CG2  
2563 H  H    . VAL A 191 ? 0.1351 0.1531 0.0087 -0.0112 -0.0135 0.0134  191  VAL A H    
2564 H  HA   . VAL A 191 ? 0.1345 0.1590 0.0081 -0.0124 -0.0096 0.0140  191  VAL A HA   
2565 H  HB   . VAL A 191 ? 0.1478 0.1531 0.0084 -0.0179 -0.0024 0.0177  191  VAL A HB   
2566 H  HG11 . VAL A 191 ? 0.1612 0.1576 0.0141 -0.0187 -0.0076 0.0123  191  VAL A HG11 
2567 H  HG12 . VAL A 191 ? 0.1629 0.1561 0.0117 -0.0195 -0.0072 0.0146  191  VAL A HG12 
2568 H  HG13 . VAL A 191 ? 0.1609 0.1563 0.0116 -0.0194 -0.0068 0.0145  191  VAL A HG13 
2569 H  HG21 . VAL A 191 ? 0.1574 0.1541 0.0119 -0.0159 -0.0005 0.0111  191  VAL A HG21 
2570 H  HG22 . VAL A 191 ? 0.1580 0.1544 0.0140 -0.0158 0.0006  0.0116  191  VAL A HG22 
2571 H  HG23 . VAL A 191 ? 0.1583 0.1557 0.0142 -0.0150 -0.0018 0.0095  191  VAL A HG23 
2572 N  N    . ALA A 192 ? 0.1341 0.1623 0.0075 -0.0143 -0.0096 0.0097  192  ALA A N    
2573 C  CA   . ALA A 192 ? 0.1295 0.1710 0.0066 -0.0103 -0.0053 0.0044  192  ALA A CA   
2574 C  C    . ALA A 192 ? 0.1269 0.1681 0.0064 -0.0041 -0.0015 -0.0045 192  ALA A C    
2575 O  O    . ALA A 192 ? 0.1161 0.1720 0.0076 -0.0046 0.0108  -0.0070 192  ALA A O    
2576 C  CB   . ALA A 192 ? 0.1569 0.1805 0.0370 -0.0046 -0.0122 -0.0038 192  ALA A CB   
2577 H  H    . ALA A 192 ? 0.1325 0.1646 0.0073 -0.0124 -0.0074 0.0102  192  ALA A H    
2578 H  HA   . ALA A 192 ? 0.1334 0.1707 0.0066 -0.0093 -0.0053 0.0035  192  ALA A HA   
2579 H  HB1  . ALA A 192 ? 0.1499 0.1779 0.0254 -0.0072 -0.0106 -0.0010 192  ALA A HB1  
2580 H  HB2  . ALA A 192 ? 0.1505 0.1779 0.0279 -0.0053 -0.0081 -0.0001 192  ALA A HB2  
2581 H  HB3  . ALA A 192 ? 0.1496 0.1777 0.0337 -0.0056 -0.0139 -0.0030 192  ALA A HB3  
2582 N  N    . ALA A 193 ? 0.1124 0.1519 0.0065 -0.0089 0.0044  0.0017  193  ALA A N    
2583 C  CA   . ALA A 193 ? 0.1244 0.1486 0.0064 -0.0032 0.0035  -0.0009 193  ALA A CA   
2584 C  C    . ALA A 193 ? 0.1174 0.1360 0.0063 -0.0045 -0.0010 -0.0013 193  ALA A C    
2585 O  O    . ALA A 193 ? 0.1135 0.1358 0.0068 -0.0070 -0.0029 -0.0074 193  ALA A O    
2586 C  CB   . ALA A 193 ? 0.1463 0.1462 0.0123 0.0028  -0.0025 -0.0057 193  ALA A CB   
2587 H  H    . ALA A 193 ? 0.1161 0.1546 0.0064 -0.0061 0.0029  -0.0001 193  ALA A H    
2588 H  HA   . ALA A 193 ? 0.1233 0.1464 0.0063 -0.0037 0.0021  -0.0012 193  ALA A HA   
2589 H  HB1  . ALA A 193 ? 0.1409 0.1476 0.0072 0.0014  0.0012  -0.0034 193  ALA A HB1  
2590 H  HB2  . ALA A 193 ? 0.1403 0.1481 0.0064 0.0007  -0.0007 -0.0034 193  ALA A HB2  
2591 H  HB3  . ALA A 193 ? 0.1421 0.1481 0.0064 0.0021  -0.0012 -0.0041 193  ALA A HB3  
2592 N  N    . ILE A 194 ? 0.1144 0.1423 0.0067 -0.0103 -0.0007 -0.0076 194  ILE A N    
2593 C  CA   . ILE A 194 ? 0.1146 0.1331 0.0066 -0.0020 -0.0058 -0.0020 194  ILE A CA   
2594 C  C    . ILE A 194 ? 0.1068 0.1347 0.0066 -0.0040 0.0008  0.0063  194  ILE A C    
2595 O  O    . ILE A 194 ? 0.1116 0.1355 0.0064 0.0021  0.0035  -0.0005 194  ILE A O    
2596 C  CB   . ILE A 194 ? 0.1296 0.1383 0.0067 -0.0011 -0.0072 0.0003  194  ILE A CB   
2597 C  CG1  . ILE A 194 ? 0.1402 0.1375 0.0069 0.0016  -0.0093 -0.0008 194  ILE A CG1  
2598 C  CG2  . ILE A 194 ? 0.1424 0.1384 0.0065 -0.0029 0.0054  0.0001  194  ILE A CG2  
2599 C  CD1  . ILE A 194 ? 0.1592 0.1441 0.0323 0.0111  -0.0086 0.0010  194  ILE A CD1  
2600 H  H    . ILE A 194 ? 0.1152 0.1388 0.0065 -0.0069 -0.0019 -0.0046 194  ILE A H    
2601 H  HA   . ILE A 194 ? 0.1160 0.1360 0.0064 -0.0036 -0.0038 -0.0009 194  ILE A HA   
2602 H  HB   . ILE A 194 ? 0.1302 0.1370 0.0065 -0.0011 -0.0049 -0.0003 194  ILE A HB   
2603 H  HG12 . ILE A 194 ? 0.1394 0.1387 0.0070 0.0024  -0.0097 -0.0004 194  ILE A HG12 
2604 H  HG13 . ILE A 194 ? 0.1398 0.1387 0.0069 0.0025  -0.0089 -0.0001 194  ILE A HG13 
2605 H  HG21 . ILE A 194 ? 0.1387 0.1380 0.0063 -0.0020 0.0027  0.0003  194  ILE A HG21 
2606 H  HG22 . ILE A 194 ? 0.1380 0.1372 0.0063 -0.0018 0.0024  -0.0004 194  ILE A HG22 
2607 H  HG23 . ILE A 194 ? 0.1385 0.1377 0.0063 -0.0020 0.0020  0.0003  194  ILE A HG23 
2608 H  HD11 . ILE A 194 ? 0.1550 0.1427 0.0230 0.0092  -0.0093 0.0003  194  ILE A HD11 
2609 H  HD12 . ILE A 194 ? 0.1555 0.1425 0.0259 0.0090  -0.0061 0.0017  194  ILE A HD12 
2610 H  HD13 . ILE A 194 ? 0.1539 0.1431 0.0241 0.0076  -0.0093 0.0018  194  ILE A HD13 
2611 N  N    . GLU A 195 ? 0.1063 0.1264 0.0069 0.0051  0.0017  0.0084  195  GLU A N    
2612 C  CA   . GLU A 195 ? 0.1070 0.1222 0.0066 -0.0005 -0.0029 0.0056  195  GLU A CA   
2613 C  C    . GLU A 195 ? 0.1168 0.1302 0.0064 0.0002  0.0012  0.0040  195  GLU A C    
2614 O  O    . GLU A 195 ? 0.1226 0.1286 0.0078 -0.0002 -0.0116 0.0069  195  GLU A O    
2615 C  CB   . GLU A 195 ? 0.1082 0.1389 0.0063 -0.0061 0.0010  0.0000  195  GLU A CB   
2616 C  CG   . GLU A 195 ? 0.1169 0.1433 0.0064 -0.0044 -0.0038 0.0002  195  GLU A CG   
2617 C  CD   . GLU A 195 ? 0.1148 0.1437 0.0063 -0.0025 -0.0004 0.0012  195  GLU A CD   
2618 O  OE1  . GLU A 195 ? 0.1146 0.1526 0.0095 -0.0089 0.0015  0.0213  195  GLU A OE1  
2619 O  OE2  . GLU A 195 ? 0.1316 0.1534 0.0064 -0.0018 -0.0003 0.0035  195  GLU A OE2  
2620 H  H    . GLU A 195 ? 0.1061 0.1274 0.0067 0.0017  0.0004  0.0072  195  GLU A H    
2621 H  HA   . GLU A 195 ? 0.1086 0.1275 0.0065 0.0000  -0.0003 0.0047  195  GLU A HA   
2622 H  HB2  . GLU A 195 ? 0.1097 0.1357 0.0063 -0.0044 -0.0009 0.0014  195  GLU A HB2  
2623 H  HB3  . GLU A 195 ? 0.1096 0.1356 0.0063 -0.0042 -0.0008 0.0013  195  GLU A HB3  
2624 H  HG2  . GLU A 195 ? 0.1146 0.1426 0.0063 -0.0044 -0.0019 0.0007  195  GLU A HG2  
2625 H  HG3  . GLU A 195 ? 0.1157 0.1424 0.0063 -0.0045 -0.0021 0.0005  195  GLU A HG3  
2626 N  N    . ALA A 196 ? 0.1103 0.1287 0.0066 0.0047  0.0050  -0.0032 196  ALA A N    
2627 C  CA   . ALA A 196 ? 0.1193 0.1330 0.0070 -0.0012 0.0083  -0.0031 196  ALA A CA   
2628 C  C    . ALA A 196 ? 0.1275 0.1312 0.0067 0.0027  0.0064  0.0029  196  ALA A C    
2629 O  O    . ALA A 196 ? 0.1278 0.1281 0.0067 -0.0059 0.0067  -0.0015 196  ALA A O    
2630 C  CB   . ALA A 196 ? 0.1180 0.1346 0.0064 -0.0024 0.0019  -0.0034 196  ALA A CB   
2631 H  H    . ALA A 196 ? 0.1128 0.1287 0.0065 0.0033  0.0047  -0.0013 196  ALA A H    
2632 H  HA   . ALA A 196 ? 0.1187 0.1331 0.0067 0.0003  0.0063  -0.0029 196  ALA A HA   
2633 H  HB1  . ALA A 196 ? 0.1185 0.1341 0.0065 -0.0022 0.0036  -0.0033 196  ALA A HB1  
2634 H  HB2  . ALA A 196 ? 0.1191 0.1344 0.0064 -0.0024 0.0030  -0.0029 196  ALA A HB2  
2635 H  HB3  . ALA A 196 ? 0.1185 0.1344 0.0065 -0.0022 0.0037  -0.0034 196  ALA A HB3  
2636 N  N    . ILE A 197 ? 0.1289 0.1239 0.0068 -0.0041 0.0077  0.0007  197  ILE A N    
2637 C  CA   . ILE A 197 ? 0.1300 0.1240 0.0069 -0.0060 0.0079  -0.0038 197  ILE A CA   
2638 C  C    . ILE A 197 ? 0.1280 0.1253 0.0066 -0.0068 0.0035  -0.0050 197  ILE A C    
2639 O  O    . ILE A 197 ? 0.1312 0.1270 0.0066 0.0016  0.0056  0.0018  197  ILE A O    
2640 C  CB   . ILE A 197 ? 0.1318 0.1358 0.0063 -0.0052 0.0023  -0.0014 197  ILE A CB   
2641 C  CG1  . ILE A 197 ? 0.1488 0.1328 0.0081 -0.0068 0.0106  -0.0116 197  ILE A CG1  
2642 C  CG2  . ILE A 197 ? 0.1387 0.1422 0.0067 -0.0090 -0.0077 -0.0001 197  ILE A CG2  
2643 C  CD1  . ILE A 197 ? 0.1665 0.1576 0.0343 -0.0128 0.0133  -0.0252 197  ILE A CD1  
2644 H  H    . ILE A 197 ? 0.1286 0.1255 0.0067 -0.0028 0.0074  0.0001  197  ILE A H    
2645 H  HA   . ILE A 197 ? 0.1301 0.1267 0.0066 -0.0058 0.0061  -0.0028 197  ILE A HA   
2646 H  HB   . ILE A 197 ? 0.1354 0.1329 0.0064 -0.0065 0.0034  -0.0027 197  ILE A HB   
2647 H  HG12 . ILE A 197 ? 0.1470 0.1372 0.0078 -0.0080 0.0088  -0.0116 197  ILE A HG12 
2648 H  HG13 . ILE A 197 ? 0.1469 0.1363 0.0077 -0.0081 0.0092  -0.0107 197  ILE A HG13 
2649 H  HG21 . ILE A 197 ? 0.1369 0.1415 0.0065 -0.0077 -0.0050 -0.0012 197  ILE A HG21 
2650 H  HG22 . ILE A 197 ? 0.1383 0.1410 0.0066 -0.0087 -0.0067 0.0005  197  ILE A HG22 
2651 H  HG23 . ILE A 197 ? 0.1370 0.1408 0.0065 -0.0079 -0.0049 -0.0003 197  ILE A HG23 
2652 H  HD11 . ILE A 197 ? 0.1608 0.1529 0.0221 -0.0092 0.0108  -0.0237 197  ILE A HD11 
2653 H  HD12 . ILE A 197 ? 0.1606 0.1503 0.0203 -0.0092 0.0125  -0.0197 197  ILE A HD12 
2654 H  HD13 . ILE A 197 ? 0.1618 0.1505 0.0242 -0.0117 0.0090  -0.0190 197  ILE A HD13 
2655 N  N    . ASN A 198 ? 0.1203 0.1266 0.0063 -0.0009 0.0014  -0.0001 198  ASN A N    
2656 C  CA   . ASN A 198 ? 0.1268 0.1236 0.0063 -0.0057 0.0024  -0.0005 198  ASN A CA   
2657 C  C    . ASN A 198 ? 0.1145 0.1282 0.0069 -0.0005 0.0074  -0.0039 198  ASN A C    
2658 O  O    . ASN A 198 ? 0.1303 0.1248 0.0065 0.0087  -0.0038 -0.0040 198  ASN A O    
2659 C  CB   . ASN A 198 ? 0.1221 0.1156 0.0066 -0.0045 0.0000  -0.0058 198  ASN A CB   
2660 C  CG   . ASN A 198 ? 0.1275 0.1198 0.0064 -0.0086 0.0022  0.0016  198  ASN A CG   
2661 O  OD1  . ASN A 198 ? 0.1349 0.1225 0.0063 -0.0046 -0.0001 0.0022  198  ASN A OD1  
2662 N  ND2  . ASN A 198 ? 0.1241 0.1286 0.0086 -0.0159 0.0111  0.0106  198  ASN A ND2  
2663 H  H    . ASN A 198 ? 0.1228 0.1247 0.0063 -0.0025 0.0020  -0.0013 198  ASN A H    
2664 H  HA   . ASN A 198 ? 0.1228 0.1249 0.0063 -0.0040 0.0023  -0.0014 198  ASN A HA   
2665 H  HB2  . ASN A 198 ? 0.1233 0.1180 0.0064 -0.0054 0.0000  -0.0031 198  ASN A HB2  
2666 H  HB3  . ASN A 198 ? 0.1236 0.1162 0.0065 -0.0047 0.0014  -0.0041 198  ASN A HB3  
2667 H  HD21 . ASN A 198 ? 0.1252 0.1276 0.0076 -0.0139 0.0079  0.0085  198  ASN A HD21 
2668 H  HD22 . ASN A 198 ? 0.1252 0.1252 0.0076 -0.0139 0.0082  0.0082  198  ASN A HD22 
2669 N  N    . GLU A 199 ? 0.1246 0.1460 0.0063 0.0044  -0.0022 -0.0003 199  GLU A N    
2670 C  CA   . GLU A 199 ? 0.1212 0.1528 0.0066 -0.0075 -0.0056 0.0012  199  GLU A CA   
2671 C  C    . GLU A 199 ? 0.1223 0.1439 0.0065 0.0066  0.0023  -0.0047 199  GLU A C    
2672 O  O    . GLU A 199 ? 0.1263 0.1463 0.0067 0.0023  0.0057  -0.0051 199  GLU A O    
2673 C  CB   . GLU A 199 ? 0.1253 0.1617 0.0065 -0.0154 -0.0008 -0.0050 199  GLU A CB   
2674 C  CG   . GLU A 199 ? 0.1429 0.1700 0.0072 -0.0236 0.0043  -0.0118 199  GLU A CG   
2675 C  CD   . GLU A 199 ? 0.1755 0.1891 0.0184 -0.0410 0.0235  -0.0304 199  GLU A CD   
2676 O  OE1  . GLU A 199 ? 0.2139 0.2222 0.0472 -0.0674 0.0694  -0.0553 199  GLU A OE1  
2677 O  OE2  . GLU A 199 ? 0.2213 0.1958 0.0720 -0.0452 0.0394  -0.0365 199  GLU A OE2  
2678 H  H    . GLU A 199 ? 0.1212 0.1424 0.0063 0.0005  -0.0005 -0.0010 199  GLU A H    
2679 H  HA   . GLU A 199 ? 0.1237 0.1524 0.0064 -0.0044 -0.0027 -0.0013 199  GLU A HA   
2680 H  HB2  . GLU A 199 ? 0.1277 0.1609 0.0065 -0.0150 -0.0009 -0.0048 199  GLU A HB2  
2681 H  HB3  . GLU A 199 ? 0.1281 0.1611 0.0065 -0.0152 -0.0006 -0.0050 199  GLU A HB3  
2682 H  HG2  . GLU A 199 ? 0.1441 0.1726 0.0075 -0.0239 0.0062  -0.0130 199  GLU A HG2  
2683 H  HG3  . GLU A 199 ? 0.1430 0.1708 0.0073 -0.0242 0.0048  -0.0127 199  GLU A HG3  
2684 N  N    . PRO A 200 ? 0.1248 0.1391 0.0071 0.0071  0.0008  -0.0104 200  PRO A N    
2685 C  CA   . PRO A 200 ? 0.1250 0.1395 0.0063 0.0021  -0.0017 0.0000  200  PRO A CA   
2686 C  C    . PRO A 200 ? 0.1325 0.1477 0.0064 0.0073  -0.0037 -0.0024 200  PRO A C    
2687 O  O    . PRO A 200 ? 0.1593 0.1621 0.0070 0.0315  0.0102  0.0017  200  PRO A O    
2688 C  CB   . PRO A 200 ? 0.1239 0.1378 0.0064 0.0020  0.0017  -0.0037 200  PRO A CB   
2689 C  CG   . PRO A 200 ? 0.1324 0.1443 0.0067 0.0062  0.0054  -0.0044 200  PRO A CG   
2690 C  CD   . PRO A 200 ? 0.1301 0.1459 0.0067 0.0058  -0.0033 -0.0067 200  PRO A CD   
2691 H  HA   . PRO A 200 ? 0.1263 0.1411 0.0064 0.0035  -0.0010 -0.0030 200  PRO A HA   
2692 H  HB2  . PRO A 200 ? 0.1251 0.1395 0.0064 0.0028  0.0014  -0.0032 200  PRO A HB2  
2693 H  HB3  . PRO A 200 ? 0.1257 0.1394 0.0064 0.0029  0.0017  -0.0031 200  PRO A HB3  
2694 H  HG2  . PRO A 200 ? 0.1304 0.1437 0.0065 0.0047  0.0028  -0.0051 200  PRO A HG2  
2695 H  HG3  . PRO A 200 ? 0.1298 0.1433 0.0065 0.0050  0.0026  -0.0048 200  PRO A HG3  
2696 H  HD2  . PRO A 200 ? 0.1290 0.1448 0.0066 0.0063  -0.0010 -0.0067 200  PRO A HD2  
2697 H  HD3  . PRO A 200 ? 0.1280 0.1433 0.0065 0.0071  -0.0023 -0.0055 200  PRO A HD3  
2698 N  N    . ASN A 201 ? 0.1299 0.1427 0.0067 0.0128  -0.0063 0.0025  201  ASN A N    
2699 C  CA   . ASN A 201 ? 0.1231 0.1589 0.0067 0.0105  -0.0031 0.0064  201  ASN A CA   
2700 C  C    . ASN A 201 ? 0.1202 0.1516 0.0067 0.0091  -0.0060 0.0032  201  ASN A C    
2701 O  O    . ASN A 201 ? 0.1277 0.1673 0.0064 0.0057  -0.0042 -0.0011 201  ASN A O    
2702 C  CB   . ASN A 201 ? 0.1318 0.1627 0.0063 0.0180  -0.0021 -0.0002 201  ASN A CB   
2703 C  CG   . ASN A 201 ? 0.1371 0.1806 0.0067 0.0059  -0.0016 0.0087  201  ASN A CG   
2704 O  OD1  . ASN A 201 ? 0.1311 0.1786 0.0068 0.0073  0.0007  0.0095  201  ASN A OD1  
2705 N  ND2  . ASN A 201 ? 0.1513 0.1934 0.0087 0.0053  0.0025  0.0210  201  ASN A ND2  
2706 H  H    . ASN A 201 ? 0.1289 0.1454 0.0065 0.0114  -0.0048 0.0021  201  ASN A H    
2707 H  HA   . ASN A 201 ? 0.1258 0.1564 0.0065 0.0121  -0.0039 0.0040  201  ASN A HA   
2708 H  HB2  . ASN A 201 ? 0.1307 0.1647 0.0064 0.0135  -0.0022 0.0030  201  ASN A HB2  
2709 H  HB3  . ASN A 201 ? 0.1309 0.1638 0.0064 0.0134  -0.0024 0.0027  201  ASN A HB3  
2710 H  HD21 . ASN A 201 ? 0.1470 0.1889 0.0079 0.0047  0.0015  0.0169  201  ASN A HD21 
2711 H  HD22 . ASN A 201 ? 0.1464 0.1877 0.0082 0.0051  0.0016  0.0184  201  ASN A HD22 
2712 N  N    . ILE A 202 ? 0.1227 0.1619 0.0068 0.0070  -0.0041 -0.0082 202  ILE A N    
2713 C  CA   . ILE A 202 ? 0.1256 0.1671 0.0064 0.0086  0.0016  -0.0038 202  ILE A CA   
2714 C  C    . ILE A 202 ? 0.1483 0.1631 0.0069 0.0089  0.0018  -0.0093 202  ILE A C    
2715 O  O    . ILE A 202 ? 0.1573 0.1672 0.0071 0.0070  0.0034  -0.0110 202  ILE A O    
2716 C  CB   . ILE A 202 ? 0.1347 0.1591 0.0066 0.0148  0.0056  0.0043  202  ILE A CB   
2717 C  CG1  . ILE A 202 ? 0.1458 0.1674 0.0063 0.0173  -0.0008 0.0021  202  ILE A CG1  
2718 C  CG2  . ILE A 202 ? 0.1359 0.1753 0.0117 0.0158  0.0152  0.0045  202  ILE A CG2  
2719 C  CD1  . ILE A 202 ? 0.1628 0.1705 0.0066 0.0330  0.0029  0.0075  202  ILE A CD1  
2720 H  H    . ILE A 202 ? 0.1229 0.1585 0.0066 0.0076  -0.0036 -0.0057 202  ILE A H    
2721 H  HA   . ILE A 202 ? 0.1307 0.1646 0.0064 0.0095  0.0011  -0.0041 202  ILE A HA   
2722 H  HB   . ILE A 202 ? 0.1351 0.1633 0.0065 0.0138  0.0050  0.0022  202  ILE A HB   
2723 H  HG12 . ILE A 202 ? 0.1459 0.1658 0.0064 0.0200  0.0014  0.0038  202  ILE A HG12 
2724 H  HG13 . ILE A 202 ? 0.1449 0.1658 0.0064 0.0199  0.0011  0.0036  202  ILE A HG13 
2725 H  HG21 . ILE A 202 ? 0.1358 0.1718 0.0075 0.0159  0.0121  0.0042  202  ILE A HG21 
2726 H  HG22 . ILE A 202 ? 0.1357 0.1716 0.0091 0.0156  0.0122  0.0019  202  ILE A HG22 
2727 H  HG23 . ILE A 202 ? 0.1363 0.1707 0.0074 0.0155  0.0117  0.0043  202  ILE A HG23 
2728 H  HD11 . ILE A 202 ? 0.1595 0.1698 0.0065 0.0284  0.0025  0.0059  202  ILE A HD11 
2729 H  HD12 . ILE A 202 ? 0.1577 0.1705 0.0065 0.0283  0.0019  0.0058  202  ILE A HD12 
2730 H  HD13 . ILE A 202 ? 0.1575 0.1697 0.0065 0.0282  0.0019  0.0058  202  ILE A HD13 
2731 N  N    . PRO A 203 ? 0.1531 0.1634 0.0067 0.0102  -0.0075 -0.0003 203  PRO A N    
2732 C  CA   . PRO A 203 ? 0.1540 0.1777 0.0066 0.0202  -0.0069 -0.0009 203  PRO A CA   
2733 C  C    . PRO A 203 ? 0.1597 0.1745 0.0072 0.0181  -0.0074 -0.0107 203  PRO A C    
2734 O  O    . PRO A 203 ? 0.1873 0.2206 0.0076 0.0238  -0.0070 -0.0157 203  PRO A O    
2735 C  CB   . PRO A 203 ? 0.1553 0.1796 0.0065 0.0196  -0.0043 0.0023  203  PRO A CB   
2736 C  CG   . PRO A 203 ? 0.1699 0.1731 0.0099 0.0152  -0.0081 -0.0127 203  PRO A CG   
2737 C  CD   . PRO A 203 ? 0.1676 0.1761 0.0066 0.0093  -0.0035 -0.0069 203  PRO A CD   
2738 H  HA   . PRO A 203 ? 0.1544 0.1742 0.0066 0.0176  -0.0067 -0.0021 203  PRO A HA   
2739 H  HB2  . PRO A 203 ? 0.1571 0.1787 0.0065 0.0187  -0.0055 -0.0012 203  PRO A HB2  
2740 H  HB3  . PRO A 203 ? 0.1576 0.1776 0.0065 0.0191  -0.0061 -0.0011 203  PRO A HB3  
2741 H  HG2  . PRO A 203 ? 0.1663 0.1752 0.0068 0.0148  -0.0062 -0.0077 203  PRO A HG2  
2742 H  HG3  . PRO A 203 ? 0.1672 0.1754 0.0068 0.0145  -0.0063 -0.0076 203  PRO A HG3  
2743 H  HD2  . PRO A 203 ? 0.1655 0.1721 0.0067 0.0107  -0.0051 -0.0062 203  PRO A HD2  
2744 H  HD3  . PRO A 203 ? 0.1633 0.1718 0.0066 0.0109  -0.0045 -0.0062 203  PRO A HD3  
2745 N  N    . GLY A 204 ? 0.1527 0.1815 0.0066 0.0130  0.0040  0.0059  204  GLY A N    
2746 C  CA   . GLY A 204 ? 0.1549 0.1863 0.0068 0.0196  -0.0081 0.0033  204  GLY A CA   
2747 C  C    . GLY A 204 ? 0.1552 0.1937 0.0089 0.0168  -0.0163 -0.0139 204  GLY A C    
2748 O  O    . GLY A 204 ? 0.1862 0.1999 0.0214 0.0297  -0.0035 -0.0227 204  GLY A O    
2749 H  H    . GLY A 204 ? 0.1555 0.1812 0.0063 0.0163  0.0002  0.0033  204  GLY A H    
2750 H  HA2  . GLY A 204 ? 0.1543 0.1865 0.0066 0.0172  -0.0059 0.0018  204  GLY A HA2  
2751 H  HA3  . GLY A 204 ? 0.1533 0.1868 0.0066 0.0174  -0.0070 0.0008  204  GLY A HA3  
2752 N  N    . GLY A 205 ? 0.1653 0.1770 0.0075 0.0065  -0.0115 -0.0082 205  GLY A N    
2753 C  CA   . GLY A 205 ? 0.1807 0.1767 0.0164 -0.0049 -0.0032 0.0047  205  GLY A CA   
2754 C  C    . GLY A 205 ? 0.1603 0.1657 0.0148 -0.0124 -0.0033 -0.0007 205  GLY A C    
2755 O  O    . GLY A 205 ? 0.1990 0.1773 0.0131 -0.0211 -0.0034 -0.0260 205  GLY A O    
2756 H  H    . GLY A 205 ? 0.1649 0.1790 0.0073 0.0073  -0.0103 -0.0078 205  GLY A H    
2757 H  HA2  . GLY A 205 ? 0.1753 0.1746 0.0109 -0.0048 -0.0042 0.0000  205  GLY A HA2  
2758 H  HA3  . GLY A 205 ? 0.1731 0.1764 0.0116 -0.0051 -0.0066 0.0016  205  GLY A HA3  
2759 N  N    . VAL A 206 ? 0.1349 0.1631 0.0067 -0.0006 0.0017  0.0073  206  VAL A N    
2760 C  CA   . VAL A 206 ? 0.1306 0.1560 0.0066 -0.0075 0.0039  0.0045  206  VAL A CA   
2761 C  C    . VAL A 206 ? 0.1323 0.1555 0.0064 -0.0014 -0.0003 0.0037  206  VAL A C    
2762 O  O    . VAL A 206 ? 0.1279 0.1528 0.0221 0.0021  -0.0011 0.0084  206  VAL A O    
2763 C  CB   . VAL A 206 ? 0.1275 0.1598 0.0091 -0.0158 0.0130  0.0126  206  VAL A CB   
2764 C  CG1  . VAL A 206 ? 0.1287 0.1682 0.0098 -0.0147 0.0097  0.0197  206  VAL A CG1  
2765 C  CG2  . VAL A 206 ? 0.1356 0.1606 0.0083 -0.0053 0.0071  0.0155  206  VAL A CG2  
2766 H  H    . VAL A 206 ? 0.1398 0.1627 0.0065 -0.0042 0.0011  0.0049  206  VAL A H    
2767 H  HA   . VAL A 206 ? 0.1315 0.1575 0.0067 -0.0066 0.0042  0.0063  206  VAL A HA   
2768 H  HB   . VAL A 206 ? 0.1297 0.1604 0.0083 -0.0118 0.0096  0.0129  206  VAL A HB   
2769 H  HG11 . VAL A 206 ? 0.1287 0.1662 0.0094 -0.0148 0.0106  0.0174  206  VAL A HG11 
2770 H  HG12 . VAL A 206 ? 0.1288 0.1657 0.0095 -0.0151 0.0106  0.0175  206  VAL A HG12 
2771 H  HG13 . VAL A 206 ? 0.1286 0.1657 0.0095 -0.0149 0.0107  0.0175  206  VAL A HG13 
2772 H  HG21 . VAL A 206 ? 0.1335 0.1605 0.0085 -0.0078 0.0094  0.0148  206  VAL A HG21 
2773 H  HG22 . VAL A 206 ? 0.1338 0.1608 0.0081 -0.0077 0.0080  0.0138  206  VAL A HG22 
2774 H  HG23 . VAL A 206 ? 0.1333 0.1604 0.0084 -0.0082 0.0089  0.0145  206  VAL A HG23 
2775 N  N    . ASP A 207 ? 0.1269 0.1575 0.0076 -0.0032 -0.0121 0.0030  207  ASP A N    
2776 C  CA   . ASP A 207 ? 0.1355 0.1789 0.0076 -0.0028 -0.0128 0.0005  207  ASP A CA   
2777 C  C    . ASP A 207 ? 0.1270 0.1716 0.0072 -0.0027 -0.0080 0.0080  207  ASP A C    
2778 O  O    . ASP A 207 ? 0.1309 0.1890 0.0095 -0.0014 -0.0200 -0.0012 207  ASP A O    
2779 C  CB   . ASP A 207 ? 0.1535 0.1937 0.0077 -0.0129 -0.0135 -0.0050 207  ASP A CB   
2780 C  CG   . ASP A 207 ? 0.1586 0.2270 0.0203 -0.0158 -0.0141 -0.0057 207  ASP A CG   
2781 O  OD1  . ASP A 207 ? 0.1930 0.3093 0.0820 -0.0076 -0.0406 0.0290  207  ASP A OD1  
2782 O  OD2  . ASP A 207 ? 0.1598 0.2532 0.0317 -0.0224 -0.0051 -0.0125 207  ASP A OD2  
2783 H  H    . ASP A 207 ? 0.1298 0.1603 0.0070 -0.0021 -0.0093 0.0028  207  ASP A H    
2784 H  HA   . ASP A 207 ? 0.1352 0.1755 0.0073 -0.0047 -0.0114 0.0010  207  ASP A HA   
2785 H  HB2  . ASP A 207 ? 0.1495 0.1942 0.0076 -0.0102 -0.0122 -0.0061 207  ASP A HB2  
2786 H  HB3  . ASP A 207 ? 0.1494 0.1948 0.0078 -0.0102 -0.0139 -0.0033 207  ASP A HB3  
2787 N  N    . GLN A 208 ? 0.1335 0.1776 0.0066 -0.0046 -0.0059 -0.0013 208  GLN A N    
2788 C  CA   . GLN A 208 ? 0.1300 0.1767 0.0141 -0.0031 0.0031  -0.0075 208  GLN A CA   
2789 C  C    . GLN A 208 ? 0.1275 0.1794 0.0080 -0.0084 -0.0127 -0.0072 208  GLN A C    
2790 O  O    . GLN A 208 ? 0.1208 0.1775 0.0102 -0.0083 -0.0191 -0.0097 208  GLN A O    
2791 C  CB   . GLN A 208 ? 0.1624 0.1844 0.0339 0.0023  0.0113  0.0009  208  GLN A CB   
2792 C  CG   . GLN A 208 ? 0.2113 0.1999 0.0579 0.0125  0.0267  -0.0090 208  GLN A CG   
2793 C  CD   . GLN A 208 ? 0.2677 0.2245 0.0667 0.0197  0.0472  0.0010  208  GLN A CD   
2794 O  OE1  . GLN A 208 ? 0.3124 0.1808 0.0932 0.0195  0.0346  0.0419  208  GLN A OE1  
2795 N  NE2  . GLN A 208 ? 0.3523 0.2565 0.0962 0.0323  0.0617  -0.0169 208  GLN A NE2  
2796 H  H    . GLN A 208 ? 0.1315 0.1760 0.0064 -0.0039 -0.0043 -0.0004 208  GLN A H    
2797 H  HA   . GLN A 208 ? 0.1342 0.1786 0.0106 -0.0036 -0.0010 -0.0049 208  GLN A HA   
2798 H  HB2  . GLN A 208 ? 0.1596 0.1843 0.0314 0.0028  0.0122  -0.0029 208  GLN A HB2  
2799 H  HB3  . GLN A 208 ? 0.1604 0.1843 0.0315 0.0030  0.0125  -0.0029 208  GLN A HB3  
2800 H  HG2  . GLN A 208 ? 0.2044 0.1994 0.0531 0.0126  0.0236  -0.0062 208  GLN A HG2  
2801 H  HG3  . GLN A 208 ? 0.2060 0.1987 0.0522 0.0116  0.0271  -0.0046 208  GLN A HG3  
2802 H  HE21 . GLN A 208 ? 0.3167 0.2456 0.0947 0.0246  0.0605  -0.0147 208  GLN A HE21 
2803 H  HE22 . GLN A 208 ? 0.3187 0.2502 0.0866 0.0250  0.0576  -0.0115 208  GLN A HE22 
2804 N  N    . GLY A 209 ? 0.1242 0.1685 0.0067 -0.0127 -0.0066 0.0035  209  GLY A N    
2805 C  CA   . GLY A 209 ? 0.1214 0.1729 0.0069 -0.0184 -0.0075 -0.0032 209  GLY A CA   
2806 C  C    . GLY A 209 ? 0.1255 0.1671 0.0069 -0.0152 -0.0075 -0.0030 209  GLY A C    
2807 O  O    . GLY A 209 ? 0.1373 0.1680 0.0068 -0.0041 0.0031  0.0079  209  GLY A O    
2808 H  H    . GLY A 209 ? 0.1245 0.1722 0.0068 -0.0128 -0.0079 -0.0002 209  GLY A H    
2809 H  HA2  . GLY A 209 ? 0.1227 0.1705 0.0068 -0.0164 -0.0075 -0.0018 209  GLY A HA2  
2810 H  HA3  . GLY A 209 ? 0.1218 0.1701 0.0069 -0.0171 -0.0080 -0.0020 209  GLY A HA3  
2811 N  N    . LYS A 210 ? 0.1313 0.1703 0.0068 -0.0054 -0.0072 -0.0037 210  LYS A N    
2812 C  CA   . LYS A 210 ? 0.1453 0.1643 0.0063 -0.0128 -0.0019 -0.0015 210  LYS A CA   
2813 C  C    . LYS A 210 ? 0.1324 0.1471 0.0065 -0.0063 -0.0020 0.0055  210  LYS A C    
2814 O  O    . LYS A 210 ? 0.1471 0.1653 0.0068 0.0009  -0.0041 0.0082  210  LYS A O    
2815 C  CB   . LYS A 210 ? 0.1678 0.1739 0.0101 -0.0156 -0.0032 -0.0168 210  LYS A CB   
2816 C  CG   . LYS A 210 ? 0.2073 0.1918 0.0627 -0.0272 -0.0135 -0.0305 210  LYS A CG   
2817 C  CD   . LYS A 210 ? 0.2890 0.2252 0.0880 -0.0321 -0.0106 -0.0556 210  LYS A CD   
2818 C  CE   . LYS A 210 ? 0.3679 0.2650 0.1923 -0.0493 -0.0257 -0.1064 210  LYS A CE   
2819 N  NZ   . LYS A 210 ? 0.4387 0.3338 0.2693 -0.0220 -0.0213 -0.1094 210  LYS A NZ   
2820 H  H    . LYS A 210 ? 0.1330 0.1683 0.0066 -0.0096 -0.0060 -0.0030 210  LYS A H    
2821 H  HA   . LYS A 210 ? 0.1431 0.1632 0.0064 -0.0110 -0.0028 -0.0024 210  LYS A HA   
2822 H  HB2  . LYS A 210 ? 0.1680 0.1737 0.0154 -0.0172 -0.0043 -0.0144 210  LYS A HB2  
2823 H  HB3  . LYS A 210 ? 0.1680 0.1740 0.0162 -0.0168 -0.0047 -0.0149 210  LYS A HB3  
2824 H  HG2  . LYS A 210 ? 0.2077 0.1930 0.0525 -0.0237 -0.0108 -0.0326 210  LYS A HG2  
2825 H  HG3  . LYS A 210 ? 0.2077 0.1917 0.0506 -0.0246 -0.0098 -0.0311 210  LYS A HG3  
2826 H  HD2  . LYS A 210 ? 0.2750 0.2203 0.0950 -0.0338 -0.0131 -0.0556 210  LYS A HD2  
2827 H  HD3  . LYS A 210 ? 0.2772 0.2215 0.0962 -0.0347 -0.0124 -0.0567 210  LYS A HD3  
2828 H  HE2  . LYS A 210 ? 0.3551 0.2684 0.1766 -0.0375 -0.0219 -0.0975 210  LYS A HE2  
2829 H  HE3  . LYS A 210 ? 0.3595 0.2656 0.1719 -0.0419 -0.0182 -0.0937 210  LYS A HE3  
2830 H  HZ1  . LYS A 210 ? 0.4202 0.3140 0.2414 -0.0320 -0.0202 -0.1098 210  LYS A HZ1  
2831 H  HZ2  . LYS A 210 ? 0.4152 0.3160 0.2472 -0.0276 -0.0236 -0.1145 210  LYS A HZ2  
2832 H  HZ3  . LYS A 210 ? 0.4220 0.3191 0.2427 -0.0213 -0.0175 -0.1046 210  LYS A HZ3  
2833 N  N    . LEU A 211 ? 0.1293 0.1474 0.0069 -0.0112 0.0043  0.0079  211  LEU A N    
2834 C  CA   . LEU A 211 ? 0.1208 0.1371 0.0068 -0.0079 0.0078  0.0000  211  LEU A CA   
2835 C  C    . LEU A 211 ? 0.1207 0.1492 0.0064 -0.0103 -0.0021 0.0024  211  LEU A C    
2836 O  O    . LEU A 211 ? 0.1232 0.1470 0.0069 -0.0021 -0.0081 0.0031  211  LEU A O    
2837 C  CB   . LEU A 211 ? 0.1309 0.1416 0.0067 -0.0141 0.0071  -0.0017 211  LEU A CB   
2838 C  CG   . LEU A 211 ? 0.1172 0.1393 0.0066 -0.0148 0.0000  0.0068  211  LEU A CG   
2839 C  CD1  . LEU A 211 ? 0.1322 0.1381 0.0082 -0.0158 -0.0121 0.0111  211  LEU A CD1  
2840 C  CD2  . LEU A 211 ? 0.1084 0.1455 0.0069 -0.0081 0.0041  0.0076  211  LEU A CD2  
2841 H  H    . LEU A 211 ? 0.1280 0.1449 0.0066 -0.0092 0.0033  0.0056  211  LEU A H    
2842 H  HA   . LEU A 211 ? 0.1232 0.1416 0.0065 -0.0094 0.0046  0.0018  211  LEU A HA   
2843 H  HB2  . LEU A 211 ? 0.1250 0.1399 0.0067 -0.0126 0.0066  0.0000  211  LEU A HB2  
2844 H  HB3  . LEU A 211 ? 0.1267 0.1408 0.0066 -0.0137 0.0061  0.0002  211  LEU A HB3  
2845 H  HG   . LEU A 211 ? 0.1207 0.1406 0.0066 -0.0135 0.0001  0.0060  211  LEU A HG   
2846 H  HD11 . LEU A 211 ? 0.1276 0.1384 0.0075 -0.0155 -0.0086 0.0099  211  LEU A HD11 
2847 H  HD12 . LEU A 211 ? 0.1285 0.1386 0.0078 -0.0158 -0.0102 0.0108  211  LEU A HD12 
2848 H  HD13 . LEU A 211 ? 0.1277 0.1382 0.0075 -0.0155 -0.0085 0.0100  211  LEU A HD13 
2849 H  HD21 . LEU A 211 ? 0.1102 0.1435 0.0068 -0.0094 0.0028  0.0075  211  LEU A HD21 
2850 H  HD22 . LEU A 211 ? 0.1110 0.1437 0.0068 -0.0098 0.0029  0.0074  211  LEU A HD22 
2851 H  HD23 . LEU A 211 ? 0.1113 0.1441 0.0069 -0.0095 0.0032  0.0077  211  LEU A HD23 
2852 N  N    . GLN A 212 ? 0.1248 0.1659 0.0063 -0.0072 -0.0012 0.0000  212  GLN A N    
2853 C  CA   . GLN A 212 ? 0.1197 0.1564 0.0070 -0.0085 0.0002  -0.0102 212  GLN A CA   
2854 C  C    . GLN A 212 ? 0.1181 0.1521 0.0077 0.0009  -0.0115 -0.0052 212  GLN A C    
2855 O  O    . GLN A 212 ? 0.1317 0.1436 0.0068 0.0013  -0.0077 -0.0012 212  GLN A O    
2856 C  CB   . GLN A 212 ? 0.1182 0.1551 0.0067 0.0022  0.0023  -0.0077 212  GLN A CB   
2857 C  CG   . GLN A 212 ? 0.1310 0.1672 0.0070 -0.0052 0.0047  -0.0091 212  GLN A CG   
2858 C  CD   . GLN A 212 ? 0.1469 0.1825 0.0392 0.0067  0.0212  0.0029  212  GLN A CD   
2859 O  OE1  . GLN A 212 ? 0.1578 0.2615 0.2335 0.0068  0.0290  0.0412  212  GLN A OE1  
2860 N  NE2  . GLN A 212 ? 0.1477 0.1797 0.0139 0.0111  0.0038  0.0125  212  GLN A NE2  
2861 H  H    . GLN A 212 ? 0.1219 0.1591 0.0063 -0.0081 -0.0018 -0.0014 212  GLN A H    
2862 H  HA   . GLN A 212 ? 0.1194 0.1554 0.0067 -0.0056 -0.0021 -0.0076 212  GLN A HA   
2863 H  HB2  . GLN A 212 ? 0.1213 0.1583 0.0068 -0.0016 0.0025  -0.0082 212  GLN A HB2  
2864 H  HB3  . GLN A 212 ? 0.1210 0.1583 0.0068 -0.0017 0.0030  -0.0085 212  GLN A HB3  
2865 H  HG2  . GLN A 212 ? 0.1285 0.1637 0.0070 -0.0022 0.0056  -0.0086 212  GLN A HG2  
2866 H  HG3  . GLN A 212 ? 0.1292 0.1655 0.0070 -0.0013 0.0067  -0.0071 212  GLN A HG3  
2867 H  HE21 . GLN A 212 ? 0.1470 0.1805 0.0204 0.0102  0.0086  0.0097  212  GLN A HE21 
2868 H  HE22 . GLN A 212 ? 0.1443 0.1801 0.0195 0.0111  0.0067  0.0107  212  GLN A HE22 
2869 N  N    . GLU A 213 ? 0.1164 0.1486 0.0067 -0.0022 -0.0064 -0.0014 213  GLU A N    
2870 C  CA   . GLU A 213 ? 0.1106 0.1533 0.0064 -0.0051 0.0035  -0.0003 213  GLU A CA   
2871 C  C    . GLU A 213 ? 0.1076 0.1426 0.0077 -0.0107 0.0041  0.0105  213  GLU A C    
2872 O  O    . GLU A 213 ? 0.1431 0.1544 0.0074 -0.0108 0.0098  0.0069  213  GLU A O    
2873 C  CB   . GLU A 213 ? 0.1234 0.1606 0.0181 -0.0015 -0.0002 -0.0096 213  GLU A CB   
2874 C  CG   . GLU A 213 ? 0.1364 0.1909 0.0825 0.0036  -0.0039 -0.0154 213  GLU A CG   
2875 C  CD   . GLU A 213 ? 0.2009 0.2390 0.1925 -0.0029 -0.0324 -0.0679 213  GLU A CD   
2876 O  OE1  . GLU A 213 ? 0.2503 0.3007 0.3203 -0.0054 -0.0426 -0.1373 213  GLU A OE1  
2877 O  OE2  . GLU A 213 ? 0.2862 0.3746 0.3608 -0.0002 -0.0911 -0.0725 213  GLU A OE2  
2878 H  H    . GLU A 213 ? 0.1159 0.1509 0.0066 -0.0022 -0.0054 -0.0024 213  GLU A H    
2879 H  HA   . GLU A 213 ? 0.1108 0.1513 0.0064 -0.0046 0.0034  -0.0005 213  GLU A HA   
2880 H  HB2  . GLU A 213 ? 0.1215 0.1629 0.0210 -0.0015 0.0005  -0.0084 213  GLU A HB2  
2881 H  HB3  . GLU A 213 ? 0.1215 0.1623 0.0212 -0.0016 0.0001  -0.0079 213  GLU A HB3  
2882 H  HG2  . GLU A 213 ? 0.1406 0.1866 0.0743 0.0012  -0.0071 -0.0210 213  GLU A HG2  
2883 H  HG3  . GLU A 213 ? 0.1399 0.1862 0.0724 0.0011  -0.0067 -0.0208 213  GLU A HG3  
2884 N  N    . TYR A 214 ? 0.1092 0.1429 0.0069 -0.0094 0.0049  0.0065  214  TYR A N    
2885 C  CA   . TYR A 214 ? 0.1177 0.1341 0.0064 -0.0098 0.0039  -0.0019 214  TYR A CA   
2886 C  C    . TYR A 214 ? 0.1107 0.1341 0.0066 -0.0051 0.0057  -0.0019 214  TYR A C    
2887 O  O    . TYR A 214 ? 0.1216 0.1393 0.0067 -0.0051 -0.0068 -0.0019 214  TYR A O    
2888 C  CB   . TYR A 214 ? 0.1228 0.1385 0.0068 -0.0050 0.0062  -0.0054 214  TYR A CB   
2889 C  CG   . TYR A 214 ? 0.1171 0.1270 0.0079 -0.0057 0.0124  -0.0059 214  TYR A CG   
2890 C  CD1  . TYR A 214 ? 0.1263 0.1205 0.0098 -0.0083 0.0204  -0.0041 214  TYR A CD1  
2891 C  CD2  . TYR A 214 ? 0.1234 0.1329 0.0074 -0.0044 0.0104  -0.0053 214  TYR A CD2  
2892 C  CE1  . TYR A 214 ? 0.1283 0.1261 0.0086 -0.0066 0.0157  -0.0064 214  TYR A CE1  
2893 C  CE2  . TYR A 214 ? 0.1179 0.1221 0.0080 -0.0005 0.0128  -0.0051 214  TYR A CE2  
2894 C  CZ   . TYR A 214 ? 0.1163 0.1236 0.0084 -0.0004 0.0145  -0.0052 214  TYR A CZ   
2895 O  OH   . TYR A 214 ? 0.1158 0.1254 0.0066 0.0062  0.0056  -0.0023 214  TYR A OH   
2896 H  H    . TYR A 214 ? 0.1111 0.1408 0.0067 -0.0097 0.0047  0.0050  214  TYR A H    
2897 H  HA   . TYR A 214 ? 0.1163 0.1364 0.0065 -0.0079 0.0047  -0.0008 214  TYR A HA   
2898 H  HB2  . TYR A 214 ? 0.1203 0.1351 0.0069 -0.0063 0.0073  -0.0047 214  TYR A HB2  
2899 H  HB3  . TYR A 214 ? 0.1203 0.1354 0.0069 -0.0064 0.0073  -0.0050 214  TYR A HB3  
2900 H  HD1  . TYR A 214 ? 0.1240 0.1224 0.0089 -0.0078 0.0172  -0.0050 214  TYR A HD1  
2901 H  HD2  . TYR A 214 ? 0.1209 0.1298 0.0077 -0.0043 0.0117  -0.0058 214  TYR A HD2  
2902 H  HE1  . TYR A 214 ? 0.1250 0.1252 0.0089 -0.0059 0.0166  -0.0060 214  TYR A HE1  
2903 H  HE2  . TYR A 214 ? 0.1187 0.1243 0.0079 -0.0016 0.0127  -0.0052 214  TYR A HE2  
2904 H  HH   . TYR A 214 ? 0.0824 0.0824 0.0824 0.0000  0.0000  0.0000  214  TYR A HH   
2905 N  N    . TYR A 215 ? 0.1234 0.1313 0.0063 -0.0071 0.0016  -0.0020 215  TYR A N    
2906 C  CA   . TYR A 215 ? 0.1055 0.1226 0.0066 -0.0007 0.0022  -0.0050 215  TYR A CA   
2907 C  C    . TYR A 215 ? 0.1171 0.1262 0.0064 -0.0009 -0.0030 -0.0002 215  TYR A C    
2908 O  O    . TYR A 215 ? 0.1153 0.1240 0.0070 -0.0011 -0.0039 -0.0079 215  TYR A O    
2909 C  CB   . TYR A 215 ? 0.1179 0.1323 0.0065 0.0048  0.0036  -0.0037 215  TYR A CB   
2910 C  CG   . TYR A 215 ? 0.1152 0.1376 0.0064 0.0052  0.0009  -0.0036 215  TYR A CG   
2911 C  CD1  . TYR A 215 ? 0.1146 0.1321 0.0063 0.0033  0.0024  0.0009  215  TYR A CD1  
2912 C  CD2  . TYR A 215 ? 0.1128 0.1354 0.0069 0.0047  0.0062  -0.0056 215  TYR A CD2  
2913 C  CE1  . TYR A 215 ? 0.1061 0.1417 0.0076 0.0045  0.0098  -0.0065 215  TYR A CE1  
2914 C  CE2  . TYR A 215 ? 0.1070 0.1436 0.0063 -0.0013 -0.0011 0.0024  215  TYR A CE2  
2915 C  CZ   . TYR A 215 ? 0.1105 0.1367 0.0072 -0.0003 0.0084  -0.0057 215  TYR A CZ   
2916 O  OH   . TYR A 215 ? 0.1141 0.1579 0.0069 -0.0049 0.0059  0.0062  215  TYR A OH   
2917 H  H    . TYR A 215 ? 0.1158 0.1299 0.0064 -0.0049 0.0024  -0.0024 215  TYR A H    
2918 H  HA   . TYR A 215 ? 0.1103 0.1266 0.0064 -0.0013 0.0009  -0.0033 215  TYR A HA   
2919 H  HB2  . TYR A 215 ? 0.1156 0.1310 0.0065 0.0038  0.0033  -0.0039 215  TYR A HB2  
2920 H  HB3  . TYR A 215 ? 0.1144 0.1306 0.0065 0.0036  0.0029  -0.0042 215  TYR A HB3  
2921 H  HD1  . TYR A 215 ? 0.1123 0.1336 0.0064 0.0047  0.0035  -0.0011 215  TYR A HD1  
2922 H  HD2  . TYR A 215 ? 0.1108 0.1376 0.0065 0.0038  0.0036  -0.0034 215  TYR A HD2  
2923 H  HE1  . TYR A 215 ? 0.1071 0.1380 0.0071 0.0038  0.0079  -0.0045 215  TYR A HE1  
2924 H  HE2  . TYR A 215 ? 0.1091 0.1399 0.0064 0.0004  0.0029  -0.0013 215  TYR A HE2  
2925 H  HH   . TYR A 215 ? 0.0918 0.0918 0.0918 0.0000  0.0000  0.0000  215  TYR A HH   
2926 N  N    . GLY A 216 ? 0.1170 0.1313 0.0063 0.0035  0.0017  0.0013  216  GLY A N    
2927 C  CA   . GLY A 216 ? 0.1255 0.1336 0.0079 -0.0008 0.0058  0.0127  216  GLY A CA   
2928 C  C    . GLY A 216 ? 0.1297 0.1390 0.0069 0.0018  -0.0007 0.0091  216  GLY A C    
2929 O  O    . GLY A 216 ? 0.1378 0.1483 0.0077 -0.0014 -0.0009 0.0142  216  GLY A O    
2930 H  H    . GLY A 216 ? 0.1178 0.1303 0.0063 0.0011  0.0002  0.0026  216  GLY A H    
2931 H  HA2  . GLY A 216 ? 0.1242 0.1357 0.0071 0.0004  0.0030  0.0099  216  GLY A HA2  
2932 H  HA3  . GLY A 216 ? 0.1248 0.1346 0.0070 0.0010  0.0034  0.0092  216  GLY A HA3  
2933 N  N    . SER A 217 ? 0.1346 0.1433 0.0065 0.0027  -0.0022 0.0044  217  SER A N    
2934 C  CA   . SER A 217 ? 0.1186 0.1501 0.0065 0.0021  -0.0021 0.0049  217  SER A CA   
2935 C  C    . SER A 217 ? 0.1217 0.1514 0.0068 0.0019  -0.0055 0.0056  217  SER A C    
2936 O  O    . SER A 217 ? 0.1369 0.1513 0.0065 -0.0009 0.0016  0.0056  217  SER A O    
2937 C  CB   . SER A 217 ? 0.1327 0.1468 0.0239 0.0022  -0.0131 -0.0047 217  SER A CB   
2938 O  OG   . SER A 217 ? 0.1538 0.1492 0.0841 -0.0113 -0.0124 -0.0284 217  SER A OG   
2939 H  H    . SER A 217 ? 0.1297 0.1437 0.0065 0.0023  -0.0019 0.0056  217  SER A H    
2940 H  HA   . SER A 217 ? 0.1236 0.1477 0.0065 0.0013  -0.0032 0.0045  217  SER A HA   
2941 H  HB2  . SER A 217 ? 0.1325 0.1475 0.0286 -0.0004 -0.0100 -0.0062 217  SER A HB2  
2942 H  HB3  . SER A 217 ? 0.1316 0.1466 0.0285 0.0008  -0.0110 -0.0057 217  SER A HB3  
2943 H  HG   . SER A 217 ? 0.1341 0.1341 0.1341 0.0000  0.0000  0.0000  217  SER A HG   
2944 N  N    . VAL A 218 ? 0.1081 0.1485 0.0063 0.0059  0.0006  0.0012  218  VAL A N    
2945 C  CA   . VAL A 218 ? 0.1079 0.1435 0.0080 0.0004  0.0131  0.0017  218  VAL A CA   
2946 C  C    . VAL A 218 ? 0.1189 0.1404 0.0063 0.0021  0.0000  -0.0003 218  VAL A C    
2947 O  O    . VAL A 218 ? 0.1177 0.1411 0.0072 -0.0007 -0.0027 0.0106  218  VAL A O    
2948 C  CB   . VAL A 218 ? 0.1293 0.1575 0.0083 -0.0074 0.0155  0.0023  218  VAL A CB   
2949 C  CG1  . VAL A 218 ? 0.1473 0.1608 0.0109 -0.0120 0.0228  0.0098  218  VAL A CG1  
2950 C  CG2  . VAL A 218 ? 0.1394 0.1675 0.0107 -0.0047 0.0238  0.0047  218  VAL A CG2  
2951 H  H    . VAL A 218 ? 0.1113 0.1480 0.0064 0.0037  0.0017  0.0029  218  VAL A H    
2952 H  HA   . VAL A 218 ? 0.1132 0.1458 0.0070 0.0009  0.0086  0.0016  218  VAL A HA   
2953 H  HB   . VAL A 218 ? 0.1286 0.1563 0.0089 -0.0059 0.0175  0.0040  218  VAL A HB   
2954 H  HG11 . VAL A 218 ? 0.1422 0.1597 0.0102 -0.0115 0.0213  0.0072  218  VAL A HG11 
2955 H  HG12 . VAL A 218 ? 0.1419 0.1601 0.0100 -0.0116 0.0204  0.0080  218  VAL A HG12 
2956 H  HG13 . VAL A 218 ? 0.1408 0.1590 0.0104 -0.0117 0.0213  0.0083  218  VAL A HG13 
2957 H  HG21 . VAL A 218 ? 0.1366 0.1649 0.0099 -0.0052 0.0212  0.0035  218  VAL A HG21 
2958 H  HG22 . VAL A 218 ? 0.1369 0.1653 0.0101 -0.0045 0.0216  0.0045  218  VAL A HG22 
2959 H  HG23 . VAL A 218 ? 0.1372 0.1647 0.0100 -0.0059 0.0217  0.0036  218  VAL A HG23 
2960 N  N    . TYR A 219 ? 0.1293 0.1406 0.0073 0.0087  0.0029  -0.0110 219  TYR A N    
2961 C  CA   . TYR A 219 ? 0.1240 0.1347 0.0077 0.0019  0.0097  -0.0085 219  TYR A CA   
2962 C  C    . TYR A 219 ? 0.1306 0.1497 0.0063 0.0051  -0.0008 0.0009  219  TYR A C    
2963 O  O    . TYR A 219 ? 0.1346 0.1552 0.0071 -0.0050 0.0083  -0.0070 219  TYR A O    
2964 C  CB   . TYR A 219 ? 0.1350 0.1367 0.0069 0.0029  0.0089  0.0022  219  TYR A CB   
2965 C  CG   . TYR A 219 ? 0.1163 0.1381 0.0064 0.0016  0.0024  -0.0018 219  TYR A CG   
2966 C  CD1  . TYR A 219 ? 0.1191 0.1303 0.0099 -0.0006 0.0115  0.0032  219  TYR A CD1  
2967 C  CD2  . TYR A 219 ? 0.1229 0.1385 0.0066 0.0068  0.0063  0.0004  219  TYR A CD2  
2968 C  CE1  . TYR A 219 ? 0.1240 0.1435 0.0066 0.0082  0.0017  0.0062  219  TYR A CE1  
2969 C  CE2  . TYR A 219 ? 0.1335 0.1295 0.0063 0.0043  -0.0006 -0.0018 219  TYR A CE2  
2970 C  CZ   . TYR A 219 ? 0.1311 0.1440 0.0066 0.0176  0.0064  0.0011  219  TYR A CZ   
2971 O  OH   . TYR A 219 ? 0.1606 0.1697 0.0081 0.0225  0.0166  0.0014  219  TYR A OH   
2972 H  H    . TYR A 219 ? 0.1250 0.1393 0.0068 0.0056  0.0034  -0.0077 219  TYR A H    
2973 H  HA   . TYR A 219 ? 0.1269 0.1375 0.0069 0.0029  0.0061  -0.0058 219  TYR A HA   
2974 H  HB2  . TYR A 219 ? 0.1276 0.1357 0.0068 0.0023  0.0079  0.0000  219  TYR A HB2  
2975 H  HB3  . TYR A 219 ? 0.1286 0.1376 0.0068 0.0034  0.0080  -0.0005 219  TYR A HB3  
2976 H  HD1  . TYR A 219 ? 0.1198 0.1332 0.0067 0.0019  0.0068  0.0025  219  TYR A HD1  
2977 H  HD2  . TYR A 219 ? 0.1240 0.1365 0.0064 0.0052  0.0036  -0.0007 219  TYR A HD2  
2978 H  HE1  . TYR A 219 ? 0.1242 0.1401 0.0067 0.0079  0.0052  0.0045  219  TYR A HE1  
2979 H  HE2  . TYR A 219 ? 0.1306 0.1325 0.0063 0.0077  0.0027  -0.0005 219  TYR A HE2  
2980 H  HH   . TYR A 219 ? 0.1138 0.1138 0.1138 0.0000  0.0000  0.0000  219  TYR A HH   
2981 N  N    . GLY A 220 ? 0.1364 0.1577 0.0068 -0.0028 0.0056  0.0059  220  GLY A N    
2982 C  CA   . GLY A 220 ? 0.1441 0.1547 0.0071 -0.0003 0.0097  0.0036  220  GLY A CA   
2983 C  C    . GLY A 220 ? 0.1533 0.1562 0.0070 0.0105  0.0049  0.0096  220  GLY A C    
2984 O  O    . GLY A 220 ? 0.1634 0.1903 0.0081 0.0043  0.0010  0.0185  220  GLY A O    
2985 H  H    . GLY A 220 ? 0.1362 0.1547 0.0066 -0.0002 0.0047  0.0039  220  GLY A H    
2986 H  HA2  . GLY A 220 ? 0.1441 0.1558 0.0069 0.0012  0.0073  0.0056  220  GLY A HA2  
2987 H  HA3  . GLY A 220 ? 0.1439 0.1554 0.0069 0.0010  0.0074  0.0054  220  GLY A HA3  
2988 N  N    . ILE A 221 ? 0.1410 0.1576 0.0067 0.0040  0.0061  0.0051  221  ILE A N    
2989 C  CA   . ILE A 221 ? 0.1451 0.1565 0.0069 0.0101  0.0047  0.0089  221  ILE A CA   
2990 C  C    . ILE A 221 ? 0.1336 0.1572 0.0075 -0.0015 -0.0037 0.0130  221  ILE A C    
2991 O  O    . ILE A 221 ? 0.1573 0.1846 0.0127 0.0006  -0.0186 0.0270  221  ILE A O    
2992 C  CB   . ILE A 221 ? 0.1459 0.1742 0.0063 0.0211  -0.0005 0.0008  221  ILE A CB   
2993 C  CG1  . ILE A 221 ? 0.1612 0.1648 0.0274 0.0233  0.0025  0.0008  221  ILE A CG1  
2994 C  CG2  . ILE A 221 ? 0.1529 0.1925 0.0073 0.0221  -0.0088 0.0077  221  ILE A CG2  
2995 C  CD1  . ILE A 221 ? 0.1793 0.1694 0.0265 0.0230  0.0034  -0.0090 221  ILE A CD1  
2996 H  H    . ILE A 221 ? 0.1448 0.1574 0.0068 0.0068  0.0061  0.0064  221  ILE A H    
2997 H  HA   . ILE A 221 ? 0.1421 0.1588 0.0068 0.0085  0.0025  0.0081  221  ILE A HA   
2998 H  HB   . ILE A 221 ? 0.1490 0.1723 0.0064 0.0192  -0.0004 0.0033  221  ILE A HB   
2999 H  HG12 . ILE A 221 ? 0.1608 0.1678 0.0172 0.0227  0.0018  -0.0010 221  ILE A HG12 
3000 H  HG13 . ILE A 221 ? 0.1609 0.1680 0.0171 0.0225  0.0019  -0.0011 221  ILE A HG13 
3001 H  HG21 . ILE A 221 ? 0.1512 0.1868 0.0069 0.0217  -0.0065 0.0059  221  ILE A HG21 
3002 H  HG22 . ILE A 221 ? 0.1511 0.1880 0.0069 0.0221  -0.0063 0.0064  221  ILE A HG22 
3003 H  HG23 . ILE A 221 ? 0.1520 0.1862 0.0070 0.0211  -0.0074 0.0061  221  ILE A HG23 
3004 H  HD11 . ILE A 221 ? 0.1758 0.1686 0.0264 0.0227  0.0032  -0.0060 221  ILE A HD11 
3005 H  HD12 . ILE A 221 ? 0.1742 0.1695 0.0273 0.0226  0.0033  -0.0069 221  ILE A HD12 
3006 H  HD13 . ILE A 221 ? 0.1741 0.1682 0.0268 0.0228  0.0031  -0.0062 221  ILE A HD13 
3007 N  N    . VAL A 222 ? 0.1429 0.1544 0.0084 -0.0061 -0.0145 0.0094  222  VAL A N    
3008 C  CA   . VAL A 222 ? 0.1552 0.1766 0.0071 -0.0045 -0.0070 -0.0089 222  VAL A CA   
3009 C  C    . VAL A 222 ? 0.1943 0.2239 0.0069 -0.0076 -0.0101 -0.0039 222  VAL A C    
3010 O  O    . VAL A 222 ? 0.2034 0.2357 0.0103 -0.0148 -0.0211 0.0216  222  VAL A O    
3011 C  CB   . VAL A 222 ? 0.1535 0.1734 0.0077 -0.0022 -0.0083 -0.0121 222  VAL A CB   
3012 C  CG1  . VAL A 222 ? 0.1634 0.1747 0.0089 -0.0075 -0.0146 -0.0135 222  VAL A CG1  
3013 C  CG2  . VAL A 222 ? 0.1505 0.1603 0.0069 0.0053  -0.0059 -0.0078 222  VAL A CG2  
3014 H  H    . VAL A 222 ? 0.1423 0.1593 0.0076 -0.0038 -0.0117 0.0072  222  VAL A H    
3015 H  HA   . VAL A 222 ? 0.1568 0.1771 0.0070 -0.0048 -0.0094 -0.0046 222  VAL A HA   
3016 H  HB   . VAL A 222 ? 0.1542 0.1718 0.0076 -0.0020 -0.0089 -0.0109 222  VAL A HB   
3017 H  HG11 . VAL A 222 ? 0.1617 0.1746 0.0084 -0.0061 -0.0126 -0.0132 222  VAL A HG11 
3018 H  HG12 . VAL A 222 ? 0.1626 0.1747 0.0086 -0.0061 -0.0140 -0.0130 222  VAL A HG12 
3019 H  HG13 . VAL A 222 ? 0.1610 0.1748 0.0085 -0.0059 -0.0129 -0.0133 222  VAL A HG13 
3020 H  HG21 . VAL A 222 ? 0.1512 0.1629 0.0070 0.0032  -0.0066 -0.0081 222  VAL A HG21 
3021 H  HG22 . VAL A 222 ? 0.1511 0.1645 0.0069 0.0034  -0.0064 -0.0078 222  VAL A HG22 
3022 H  HG23 . VAL A 222 ? 0.1509 0.1640 0.0070 0.0033  -0.0066 -0.0086 222  VAL A HG23 
3023 N  N    . ASN A 223 ? 0.1996 0.2603 0.0064 -0.0157 -0.0034 0.0027  223  ASN A N    
3024 C  CA   . ASN A 223 ? 0.2199 0.2892 0.0105 -0.0285 0.0298  -0.0007 223  ASN A CA   
3025 C  C    . ASN A 223 ? 0.2385 0.2972 0.0175 -0.0480 0.0413  0.0243  223  ASN A C    
3026 O  O    . ASN A 223 ? 0.3000 0.3422 0.0095 -0.0566 0.0273  0.0090  223  ASN A O    
3027 C  CB   . ASN A 223 ? 0.2303 0.3469 0.0170 -0.0263 0.0371  0.0167  223  ASN A CB   
3028 C  CG   . ASN A 223 ? 0.2702 0.3773 0.1172 -0.0590 -0.0326 0.0758  223  ASN A CG   
3029 O  OD1  . ASN A 223 ? 0.3535 0.4573 0.2381 -0.1523 0.0067  0.0966  223  ASN A OD1  
3030 N  ND2  . ASN A 223 ? 0.3120 0.4802 0.2946 -0.0222 -0.0138 0.0994  223  ASN A ND2  
3031 H  H    . ASN A 223 ? 0.1975 0.2535 0.0063 -0.0170 -0.0034 -0.0005 223  ASN A H    
3032 H  HA   . ASN A 223 ? 0.2189 0.2895 0.0094 -0.0295 0.0239  0.0073  223  ASN A HA   
3033 H  HB2  . ASN A 223 ? 0.2318 0.3319 0.0250 -0.0331 0.0228  0.0223  223  ASN A HB2  
3034 H  HB3  . ASN A 223 ? 0.2302 0.3322 0.0233 -0.0349 0.0268  0.0253  223  ASN A HB3  
3035 H  HD21 . ASN A 223 ? 0.3075 0.4461 0.2077 -0.0229 -0.0169 0.0928  223  ASN A HD21 
3036 H  HD22 . ASN A 223 ? 0.2979 0.4515 0.2098 -0.0367 -0.0192 0.0924  223  ASN A HD22 
3037 N  N    . LYS A 224 ? 0.2422 0.2864 0.0222 -0.0595 0.0095  0.0400  224  LYS A N    
3038 C  CA   . LYS A 224 ? 0.2611 0.2766 0.0706 -0.0613 0.0281  0.0598  224  LYS A CA   
3039 C  C    . LYS A 224 ? 0.2522 0.2562 0.0239 -0.0352 0.0258  0.0567  224  LYS A C    
3040 O  O    . LYS A 224 ? 0.2834 0.3615 0.0362 -0.0771 -0.0068 0.0925  224  LYS A O    
3041 C  CB   . LYS A 224 ? 0.3115 0.2828 0.1076 -0.0541 0.0222  0.0574  224  LYS A CB   
3042 C  CG   . LYS A 224 ? 0.3432 0.3149 0.1668 -0.0411 0.0177  0.0628  224  LYS A CG   
3043 C  CD   . LYS A 224 ? 0.3869 0.3424 0.2495 -0.0529 0.0611  0.0141  224  LYS A CD   
3044 C  CE   . LYS A 224 ? 0.4062 0.3681 0.2140 -0.0883 0.0574  -0.0335 224  LYS A CE   
3045 N  NZ   . LYS A 224 ? 0.3736 0.3397 0.2645 -0.1309 0.0640  -0.0588 224  LYS A NZ   
3046 H  H    . LYS A 224 ? 0.2431 0.2849 0.0223 -0.0563 0.0217  0.0403  224  LYS A H    
3047 H  HA   . LYS A 224 ? 0.2600 0.2755 0.0527 -0.0553 0.0243  0.0552  224  LYS A HA   
3048 H  HB2  . LYS A 224 ? 0.3035 0.2864 0.1078 -0.0529 0.0239  0.0587  224  LYS A HB2  
3049 H  HB3  . LYS A 224 ? 0.3035 0.2853 0.1066 -0.0515 0.0207  0.0576  224  LYS A HB3  
3050 H  HG2  . LYS A 224 ? 0.3393 0.3098 0.1658 -0.0465 0.0249  0.0527  224  LYS A HG2  
3051 H  HG3  . LYS A 224 ? 0.3440 0.3102 0.1667 -0.0456 0.0232  0.0515  224  LYS A HG3  
3052 H  HD2  . LYS A 224 ? 0.3812 0.3445 0.2255 -0.0583 0.0493  0.0156  224  LYS A HD2  
3053 H  HD3  . LYS A 224 ? 0.3870 0.3419 0.2214 -0.0568 0.0517  0.0164  224  LYS A HD3  
3054 H  HE2  . LYS A 224 ? 0.3941 0.3564 0.2339 -0.0899 0.0601  -0.0288 224  LYS A HE2  
3055 H  HE3  . LYS A 224 ? 0.3954 0.3541 0.2320 -0.0859 0.0592  -0.0269 224  LYS A HE3  
3056 H  HZ1  . LYS A 224 ? 0.3758 0.3470 0.2497 -0.1207 0.0593  -0.0525 224  LYS A HZ1  
3057 H  HZ2  . LYS A 224 ? 0.3821 0.3500 0.2515 -0.1200 0.0623  -0.0533 224  LYS A HZ2  
3058 H  HZ3  . LYS A 224 ? 0.3807 0.3466 0.2504 -0.1175 0.0599  -0.0516 224  LYS A HZ3  
3059 N  N    . TYR A 225 ? 0.2115 0.1889 0.0138 -0.0077 0.0275  0.0252  225  TYR A N    
3060 C  CA   . TYR A 225 ? 0.2062 0.1711 0.0187 0.0110  0.0167  0.0209  225  TYR A CA   
3061 C  C    . TYR A 225 ? 0.2067 0.1648 0.0096 0.0228  -0.0001 0.0226  225  TYR A C    
3062 O  O    . TYR A 225 ? 0.2539 0.1756 0.0220 0.0207  -0.0306 0.0268  225  TYR A O    
3063 C  CB   . TYR A 225 ? 0.1924 0.1762 0.0233 0.0097  0.0161  0.0135  225  TYR A CB   
3064 C  CG   . TYR A 225 ? 0.1825 0.1700 0.0072 0.0142  -0.0014 0.0117  225  TYR A CG   
3065 C  CD1  . TYR A 225 ? 0.1947 0.1700 0.0082 0.0214  -0.0007 0.0174  225  TYR A CD1  
3066 C  CD2  . TYR A 225 ? 0.1784 0.1623 0.0091 0.0152  -0.0134 0.0150  225  TYR A CD2  
3067 C  CE1  . TYR A 225 ? 0.1758 0.1589 0.0156 0.0150  -0.0069 0.0311  225  TYR A CE1  
3068 C  CE2  . TYR A 225 ? 0.1848 0.1761 0.0110 0.0210  -0.0266 0.0081  225  TYR A CE2  
3069 C  CZ   . TYR A 225 ? 0.1767 0.1787 0.0182 0.0138  -0.0080 0.0206  225  TYR A CZ   
3070 O  OH   . TYR A 225 ? 0.2107 0.1867 0.0515 0.0192  -0.0393 0.0076  225  TYR A OH   
3071 H  H    . TYR A 225 ? 0.2169 0.1957 0.0146 -0.0086 0.0241  0.0313  225  TYR A H    
3072 H  HA   . TYR A 225 ? 0.2052 0.1752 0.0133 0.0090  0.0154  0.0212  225  TYR A HA   
3073 H  HB2  . TYR A 225 ? 0.1927 0.1762 0.0178 0.0106  0.0122  0.0119  225  TYR A HB2  
3074 H  HB3  . TYR A 225 ? 0.1940 0.1740 0.0157 0.0115  0.0126  0.0146  225  TYR A HB3  
3075 H  HD1  . TYR A 225 ? 0.1869 0.1675 0.0086 0.0181  -0.0027 0.0188  225  TYR A HD1  
3076 H  HD2  . TYR A 225 ? 0.1808 0.1645 0.0090 0.0169  -0.0135 0.0146  225  TYR A HD2  
3077 H  HE1  . TYR A 225 ? 0.1800 0.1618 0.0120 0.0173  -0.0068 0.0282  225  TYR A HE1  
3078 H  HE2  . TYR A 225 ? 0.1816 0.1732 0.0095 0.0177  -0.0189 0.0122  225  TYR A HE2  
3079 H  HH   . TYR A 225 ? 0.1536 0.1536 0.1536 0.0000  0.0000  0.0000  225  TYR A HH   
3080 N  N    . ASN A 226 ? 0.1858 0.1651 0.0088 0.0197  0.0070  0.0196  226  ASN A N    
3081 C  CA   . ASN A 226 ? 0.1733 0.1661 0.0091 0.0176  0.0128  0.0181  226  ASN A CA   
3082 C  C    . ASN A 226 ? 0.1877 0.1781 0.0101 0.0185  0.0087  0.0248  226  ASN A C    
3083 O  O    . ASN A 226 ? 0.1992 0.1788 0.0086 0.0070  0.0076  0.0189  226  ASN A O    
3084 C  CB   . ASN A 226 ? 0.1697 0.1790 0.0074 0.0185  0.0016  0.0137  226  ASN A CB   
3085 C  CG   . ASN A 226 ? 0.1704 0.1960 0.0134 0.0135  0.0089  -0.0014 226  ASN A CG   
3086 O  OD1  . ASN A 226 ? 0.1990 0.1886 0.0249 0.0259  0.0114  0.0020  226  ASN A OD1  
3087 N  ND2  . ASN A 226 ? 0.1830 0.2231 0.0834 0.0112  0.0088  -0.0305 226  ASN A ND2  
3088 H  H    . ASN A 226 ? 0.1881 0.1657 0.0091 0.0196  0.0082  0.0204  226  ASN A H    
3089 H  HA   . ASN A 226 ? 0.1775 0.1709 0.0090 0.0182  0.0103  0.0194  226  ASN A HA   
3090 H  HB2  . ASN A 226 ? 0.1701 0.1789 0.0072 0.0183  0.0053  0.0121  226  ASN A HB2  
3091 H  HB3  . ASN A 226 ? 0.1707 0.1797 0.0073 0.0174  0.0057  0.0120  226  ASN A HB3  
3092 H  HD21 . ASN A 226 ? 0.1810 0.2135 0.0574 0.0109  0.0072  -0.0175 226  ASN A HD21 
3093 H  HD22 . ASN A 226 ? 0.1793 0.2150 0.0589 0.0126  0.0092  -0.0169 226  ASN A HD22 
3094 N  N    . ALA A 227 ? 0.1966 0.2058 0.0147 0.0320  0.0144  0.0400  227  ALA A N    
3095 C  CA   . ALA A 227 ? 0.1937 0.2214 0.0254 0.0294  0.0270  0.0325  227  ALA A CA   
3096 C  C    . ALA A 227 ? 0.2042 0.2086 0.0147 0.0543  0.0314  0.0339  227  ALA A C    
3097 O  O    . ALA A 227 ? 0.2239 0.2151 0.0164 0.0609  0.0065  0.0328  227  ALA A O    
3098 C  CB   . ALA A 227 ? 0.1914 0.2340 0.0693 0.0161  0.0374  0.0183  227  ALA A CB   
3099 H  H    . ALA A 227 ? 0.1929 0.1979 0.0140 0.0271  0.0160  0.0367  227  ALA A H    
3100 H  HA   . ALA A 227 ? 0.1961 0.2175 0.0248 0.0317  0.0271  0.0332  227  ALA A HA   
3101 H  HB1  . ALA A 227 ? 0.1952 0.2317 0.0573 0.0186  0.0357  0.0224  227  ALA A HB1  
3102 H  HB2  . ALA A 227 ? 0.1935 0.2307 0.0574 0.0200  0.0346  0.0231  227  ALA A HB2  
3103 H  HB3  . ALA A 227 ? 0.1932 0.2307 0.0641 0.0203  0.0358  0.0247  227  ALA A HB3  
3104 N  N    . GLY A 228 ? 0.2300 0.2152 0.0124 0.0513  0.0331  0.0229  228  GLY A N    
3105 C  CA   . GLY A 228 ? 0.2424 0.1969 0.0092 0.0439  0.0204  0.0181  228  GLY A CA   
3106 C  C    . GLY A 228 ? 0.2304 0.1674 0.0083 0.0297  0.0126  0.0161  228  GLY A C    
3107 O  O    . GLY A 228 ? 0.3033 0.1676 0.0310 0.0160  0.0398  0.0146  228  GLY A O    
3108 H  H    . GLY A 228 ? 0.2263 0.2095 0.0120 0.0497  0.0301  0.0241  228  GLY A H    
3109 H  HA2  . GLY A 228 ? 0.2376 0.1937 0.0096 0.0415  0.0219  0.0191  228  GLY A HA2  
3110 H  HA3  . GLY A 228 ? 0.2375 0.1930 0.0098 0.0422  0.0229  0.0191  228  GLY A HA3  
3111 N  N    . THR A 229 ? 0.1673 0.1675 0.0076 0.0100  0.0122  0.0085  229  THR A N    
3112 C  CA   . THR A 229 ? 0.1561 0.1684 0.0075 0.0023  0.0010  0.0138  229  THR A CA   
3113 C  C    . THR A 229 ? 0.1326 0.1589 0.0066 -0.0003 0.0030  0.0066  229  THR A C    
3114 O  O    . THR A 229 ? 0.1441 0.1753 0.0090 -0.0182 0.0070  0.0187  229  THR A O    
3115 C  CB   . THR A 229 ? 0.1530 0.1703 0.0100 0.0066  -0.0016 0.0244  229  THR A CB   
3116 O  OG1  . THR A 229 ? 0.1757 0.2059 0.0290 0.0205  -0.0122 0.0511  229  THR A OG1  
3117 C  CG2  . THR A 229 ? 0.1546 0.1757 0.0148 0.0042  0.0092  0.0138  229  THR A CG2  
3118 H  H    . THR A 229 ? 0.1750 0.1676 0.0076 0.0126  0.0097  0.0117  229  THR A H    
3119 H  HA   . THR A 229 ? 0.1526 0.1663 0.0074 0.0041  0.0030  0.0131  229  THR A HA   
3120 H  HB   . THR A 229 ? 0.1558 0.1741 0.0099 0.0067  -0.0011 0.0244  229  THR A HB   
3121 H  HG1  . THR A 229 ? 0.1448 0.1448 0.1448 0.0000  0.0000  0.0000  229  THR A HG1  
3122 H  HG21 . THR A 229 ? 0.1545 0.1743 0.0130 0.0049  0.0064  0.0171  229  THR A HG21 
3123 H  HG22 . THR A 229 ? 0.1545 0.1742 0.0130 0.0049  0.0064  0.0170  229  THR A HG22 
3124 H  HG23 . THR A 229 ? 0.1554 0.1742 0.0153 0.0043  0.0080  0.0161  229  THR A HG23 
3125 N  N    . SER A 230 ? 0.1285 0.1485 0.0074 -0.0011 -0.0107 0.0054  230  SER A N    
3126 C  CA   . SER A 230 ? 0.1195 0.1472 0.0072 0.0013  -0.0089 -0.0061 230  SER A CA   
3127 C  C    . SER A 230 ? 0.1250 0.1479 0.0063 0.0048  0.0004  0.0005  230  SER A C    
3128 O  O    . SER A 230 ? 0.1218 0.1609 0.0064 0.0074  -0.0039 0.0001  230  SER A O    
3129 C  CB   . SER A 230 ? 0.1339 0.1492 0.0065 0.0061  0.0021  -0.0053 230  SER A CB   
3130 O  OG   . SER A 230 ? 0.1706 0.1482 0.0072 0.0136  0.0038  -0.0101 230  SER A OG   
3131 H  H    . SER A 230 ? 0.1270 0.1503 0.0068 -0.0005 -0.0071 0.0029  230  SER A H    
3132 H  HA   . SER A 230 ? 0.1235 0.1481 0.0065 0.0023  -0.0051 -0.0023 230  SER A HA   
3133 H  HB2  . SER A 230 ? 0.1354 0.1485 0.0066 0.0062  -0.0002 -0.0064 230  SER A HB2  
3134 H  HB3  . SER A 230 ? 0.1366 0.1485 0.0066 0.0063  0.0000  -0.0067 230  SER A HB3  
3135 H  HG   . SER A 230 ? 0.1097 0.1097 0.1097 0.0000  0.0000  0.0000  230  SER A HG   
3136 N  N    . VAL A 231 ? 0.1135 0.1471 0.0064 0.0061  0.0030  0.0010  231  VAL A N    
3137 C  CA   . VAL A 231 ? 0.1267 0.1314 0.0068 0.0033  0.0062  0.0047  231  VAL A CA   
3138 C  C    . VAL A 231 ? 0.1122 0.1376 0.0079 0.0074  0.0081  0.0121  231  VAL A C    
3139 O  O    . VAL A 231 ? 0.1420 0.1389 0.0125 0.0176  0.0243  0.0185  231  VAL A O    
3140 C  CB   . VAL A 231 ? 0.1338 0.1510 0.0192 -0.0052 0.0028  0.0046  231  VAL A CB   
3141 C  CG1  . VAL A 231 ? 0.1641 0.1615 0.0326 -0.0171 0.0038  -0.0041 231  VAL A CG1  
3142 C  CG2  . VAL A 231 ? 0.1476 0.1584 0.0390 -0.0119 0.0000  0.0061  231  VAL A CG2  
3143 H  H    . VAL A 231 ? 0.1174 0.1434 0.0064 0.0059  0.0035  0.0014  231  VAL A H    
3144 H  HA   . VAL A 231 ? 0.1223 0.1388 0.0068 0.0033  0.0054  0.0055  231  VAL A HA   
3145 H  HB   . VAL A 231 ? 0.1380 0.1487 0.0190 -0.0056 0.0034  0.0035  231  VAL A HB   
3146 H  HG11 . VAL A 231 ? 0.1574 0.1594 0.0286 -0.0148 0.0031  -0.0014 231  VAL A HG11 
3147 H  HG12 . VAL A 231 ? 0.1547 0.1605 0.0307 -0.0137 0.0040  -0.0035 231  VAL A HG12 
3148 H  HG13 . VAL A 231 ? 0.1553 0.1593 0.0288 -0.0129 0.0035  -0.0016 231  VAL A HG13 
3149 H  HG21 . VAL A 231 ? 0.1439 0.1567 0.0330 -0.0096 0.0009  0.0061  231  VAL A HG21 
3150 H  HG22 . VAL A 231 ? 0.1435 0.1574 0.0357 -0.0099 0.0005  0.0077  231  VAL A HG22 
3151 H  HG23 . VAL A 231 ? 0.1448 0.1571 0.0327 -0.0106 0.0008  0.0060  231  VAL A HG23 
3152 N  N    . VAL A 232 ? 0.1064 0.1338 0.0075 0.0078  0.0033  0.0119  232  VAL A N    
3153 C  CA   . VAL A 232 ? 0.1169 0.1321 0.0070 0.0040  0.0071  0.0057  232  VAL A CA   
3154 C  C    . VAL A 232 ? 0.1045 0.1318 0.0069 0.0102  0.0079  0.0020  232  VAL A C    
3155 O  O    . VAL A 232 ? 0.1098 0.1366 0.0069 0.0193  0.0015  0.0092  232  VAL A O    
3156 C  CB   . VAL A 232 ? 0.1211 0.1425 0.0067 -0.0075 0.0065  -0.0022 232  VAL A CB   
3157 C  CG1  . VAL A 232 ? 0.1219 0.1423 0.0071 -0.0145 0.0095  0.0010  232  VAL A CG1  
3158 C  CG2  . VAL A 232 ? 0.1215 0.1535 0.0065 -0.0100 0.0004  -0.0059 232  VAL A CG2  
3159 H  H    . VAL A 232 ? 0.1096 0.1334 0.0074 0.0076  0.0051  0.0106  232  VAL A H    
3160 H  HA   . VAL A 232 ? 0.1134 0.1342 0.0069 0.0041  0.0065  0.0049  232  VAL A HA   
3161 H  HB   . VAL A 232 ? 0.1204 0.1424 0.0066 -0.0069 0.0060  -0.0006 232  VAL A HB   
3162 H  HG11 . VAL A 232 ? 0.1219 0.1429 0.0069 -0.0128 0.0086  0.0003  232  VAL A HG11 
3163 H  HG12 . VAL A 232 ? 0.1215 0.1433 0.0070 -0.0123 0.0089  0.0015  232  VAL A HG12 
3164 H  HG13 . VAL A 232 ? 0.1212 0.1426 0.0069 -0.0127 0.0085  0.0002  232  VAL A HG13 
3165 H  HG21 . VAL A 232 ? 0.1216 0.1506 0.0065 -0.0093 0.0023  -0.0049 232  VAL A HG21 
3166 H  HG22 . VAL A 232 ? 0.1215 0.1515 0.0066 -0.0091 0.0023  -0.0060 232  VAL A HG22 
3167 H  HG23 . VAL A 232 ? 0.1218 0.1511 0.0065 -0.0096 0.0023  -0.0048 232  VAL A HG23 
3168 N  N    . TYR A 233 ? 0.1094 0.1213 0.0067 0.0131  0.0043  -0.0042 233  TYR A N    
3169 C  CA   . TYR A 233 ? 0.1076 0.1340 0.0065 0.0097  0.0035  -0.0029 233  TYR A CA   
3170 C  C    . TYR A 233 ? 0.0985 0.1264 0.0071 0.0102  0.0087  0.0018  233  TYR A C    
3171 O  O    . TYR A 233 ? 0.1051 0.1302 0.0064 0.0085  0.0036  0.0020  233  TYR A O    
3172 C  CB   . TYR A 233 ? 0.1048 0.1293 0.0068 0.0002  0.0074  0.0007  233  TYR A CB   
3173 C  CG   . TYR A 233 ? 0.1059 0.1335 0.0073 -0.0012 0.0095  0.0025  233  TYR A CG   
3174 C  CD1  . TYR A 233 ? 0.1060 0.1328 0.0094 -0.0057 0.0156  0.0023  233  TYR A CD1  
3175 C  CD2  . TYR A 233 ? 0.1037 0.1277 0.0073 -0.0015 0.0099  0.0011  233  TYR A CD2  
3176 C  CE1  . TYR A 233 ? 0.1094 0.1281 0.0076 -0.0029 0.0104  0.0050  233  TYR A CE1  
3177 C  CE2  . TYR A 233 ? 0.1126 0.1382 0.0099 -0.0050 0.0188  0.0047  233  TYR A CE2  
3178 C  CZ   . TYR A 233 ? 0.1128 0.1282 0.0079 -0.0024 0.0126  0.0038  233  TYR A CZ   
3179 O  OH   . TYR A 233 ? 0.1271 0.1386 0.0107 -0.0130 0.0226  0.0020  233  TYR A OH   
3180 H  H    . TYR A 233 ? 0.1076 0.1242 0.0067 0.0125  0.0053  -0.0030 233  TYR A H    
3181 H  HA   . TYR A 233 ? 0.1062 0.1302 0.0066 0.0083  0.0053  -0.0013 233  TYR A HA   
3182 H  HB2  . TYR A 233 ? 0.1056 0.1312 0.0068 0.0021  0.0070  0.0003  233  TYR A HB2  
3183 H  HB3  . TYR A 233 ? 0.1056 0.1313 0.0068 0.0021  0.0069  0.0002  233  TYR A HB3  
3184 H  HD1  . TYR A 233 ? 0.1070 0.1318 0.0080 -0.0038 0.0126  0.0029  233  TYR A HD1  
3185 H  HD2  . TYR A 233 ? 0.1058 0.1300 0.0077 -0.0016 0.0116  0.0023  233  TYR A HD2  
3186 H  HE1  . TYR A 233 ? 0.1093 0.1287 0.0079 -0.0032 0.0120  0.0041  233  TYR A HE1  
3187 H  HE2  . TYR A 233 ? 0.1108 0.1330 0.0085 -0.0037 0.0147  0.0036  233  TYR A HE2  
3188 H  HH   . TYR A 233 ? 0.0920 0.0920 0.0920 0.0000  0.0000  0.0000  233  TYR A HH   
3189 N  N    . GLY A 234 ? 0.1257 0.1348 0.0064 0.0131  0.0025  0.0037  234  GLY A N    
3190 C  CA   . GLY A 234 ? 0.1193 0.1309 0.0069 0.0031  0.0070  0.0050  234  GLY A CA   
3191 C  C    . GLY A 234 ? 0.1218 0.1291 0.0063 -0.0004 0.0015  0.0017  234  GLY A C    
3192 O  O    . GLY A 234 ? 0.1231 0.1312 0.0063 -0.0024 -0.0007 0.0009  234  GLY A O    
3193 H  H    . GLY A 234 ? 0.1170 0.1322 0.0066 0.0099  0.0050  0.0035  234  GLY A H    
3194 H  HA2  . GLY A 234 ? 0.1211 0.1310 0.0066 0.0045  0.0048  0.0039  234  GLY A HA2  
3195 H  HA3  . GLY A 234 ? 0.1208 0.1310 0.0066 0.0049  0.0051  0.0038  234  GLY A HA3  
3196 N  N    . ASP A 235 ? 0.1130 0.1255 0.0067 -0.0016 0.0069  0.0008  235  ASP A N    
3197 C  CA   . ASP A 235 ? 0.1117 0.1343 0.0067 0.0045  0.0064  -0.0013 235  ASP A CA   
3198 C  C    . ASP A 235 ? 0.1130 0.1380 0.0065 0.0027  0.0033  -0.0039 235  ASP A C    
3199 O  O    . ASP A 235 ? 0.1107 0.1547 0.0063 0.0066  0.0005  -0.0005 235  ASP A O    
3200 C  CB   . ASP A 235 ? 0.1274 0.1390 0.0063 0.0059  0.0021  0.0019  235  ASP A CB   
3201 C  CG   . ASP A 235 ? 0.1369 0.1382 0.0064 0.0033  -0.0010 0.0035  235  ASP A CG   
3202 O  OD1  . ASP A 235 ? 0.1416 0.1635 0.0067 -0.0011 0.0037  0.0072  235  ASP A OD1  
3203 O  OD2  . ASP A 235 ? 0.1697 0.1484 0.0282 -0.0032 -0.0021 0.0050  235  ASP A OD2  
3204 H  H    . ASP A 235 ? 0.1140 0.1277 0.0066 -0.0007 0.0055  0.0006  235  ASP A H    
3205 H  HA   . ASP A 235 ? 0.1134 0.1338 0.0066 0.0026  0.0060  -0.0004 235  ASP A HA   
3206 H  HB2  . ASP A 235 ? 0.1255 0.1377 0.0064 0.0050  0.0027  0.0014  235  ASP A HB2  
3207 H  HB3  . ASP A 235 ? 0.1255 0.1376 0.0064 0.0050  0.0026  0.0014  235  ASP A HB3  
3208 N  N    . GLY A 236 ? 0.1172 0.1389 0.0066 0.0120  -0.0057 -0.0001 236  GLY A N    
3209 C  CA   . GLY A 236 ? 0.1247 0.1477 0.0066 0.0069  0.0030  -0.0058 236  GLY A CA   
3210 C  C    . GLY A 236 ? 0.1239 0.1558 0.0064 0.0067  0.0032  -0.0015 236  GLY A C    
3211 O  O    . GLY A 236 ? 0.1427 0.1528 0.0063 0.0066  0.0011  0.0004  236  GLY A O    
3212 H  H    . GLY A 236 ? 0.1150 0.1402 0.0064 0.0085  -0.0030 -0.0021 236  GLY A H    
3213 H  HA2  . GLY A 236 ? 0.1235 0.1476 0.0064 0.0078  0.0009  -0.0034 236  GLY A HA2  
3214 H  HA3  . GLY A 236 ? 0.1227 0.1472 0.0064 0.0081  0.0008  -0.0034 236  GLY A HA3  
3215 N  N    . PHE A 237 ? 0.1354 0.1540 0.0067 0.0042  0.0049  0.0065  237  PHE A N    
3216 C  CA   . PHE A 237 ? 0.1426 0.1567 0.0090 0.0056  0.0108  0.0172  237  PHE A CA   
3217 C  C    . PHE A 237 ? 0.1468 0.1645 0.0087 0.0156  0.0052  0.0193  237  PHE A C    
3218 O  O    . PHE A 237 ? 0.1907 0.2086 0.0203 0.0446  0.0162  0.0507  237  PHE A O    
3219 C  CB   . PHE A 237 ? 0.1480 0.1531 0.0076 0.0031  0.0107  0.0090  237  PHE A CB   
3220 C  CG   . PHE A 237 ? 0.1423 0.1435 0.0234 0.0021  0.0177  0.0056  237  PHE A CG   
3221 C  CD1  . PHE A 237 ? 0.1569 0.1645 0.1168 0.0053  -0.0090 -0.0029 237  PHE A CD1  
3222 C  CD2  . PHE A 237 ? 0.1588 0.1528 0.1269 0.0026  0.0071  -0.0145 237  PHE A CD2  
3223 C  CE1  . PHE A 237 ? 0.1502 0.1681 0.1501 0.0021  -0.0006 -0.0184 237  PHE A CE1  
3224 C  CE2  . PHE A 237 ? 0.1685 0.1598 0.1557 0.0096  0.0054  -0.0171 237  PHE A CE2  
3225 C  CZ   . PHE A 237 ? 0.1511 0.1654 0.1270 0.0098  0.0154  -0.0169 237  PHE A CZ   
3226 H  H    . PHE A 237 ? 0.1326 0.1539 0.0066 0.0044  0.0038  0.0050  237  PHE A H    
3227 H  HA   . PHE A 237 ? 0.1429 0.1571 0.0080 0.0069  0.0086  0.0139  237  PHE A HA   
3228 H  HB2  . PHE A 237 ? 0.1454 0.1516 0.0081 0.0034  0.0124  0.0102  237  PHE A HB2  
3229 H  HB3  . PHE A 237 ? 0.1456 0.1518 0.0081 0.0035  0.0125  0.0105  237  PHE A HB3  
3230 H  HD1  . PHE A 237 ? 0.1512 0.1609 0.0922 0.0033  0.0014  -0.0034 237  PHE A HD1  
3231 H  HD2  . PHE A 237 ? 0.1546 0.1516 0.0943 0.0042  0.0100  -0.0081 237  PHE A HD2  
3232 H  HE1  . PHE A 237 ? 0.1512 0.1652 0.1350 0.0038  0.0014  -0.0142 237  PHE A HE1  
3233 H  HE2  . PHE A 237 ? 0.1614 0.1594 0.1393 0.0078  0.0083  -0.0160 237  PHE A HE2  
3234 H  HZ   . PHE A 237 ? 0.1531 0.1646 0.1347 0.0078  0.0095  -0.0169 237  PHE A HZ   
3235 N  N    . LEU A 238 ? 0.1371 0.1475 0.0070 0.0199  0.0043  0.0092  238  LEU A N    
3236 C  CA   . LEU A 238 ? 0.1457 0.1510 0.0067 0.0180  0.0034  0.0073  238  LEU A CA   
3237 C  C    . LEU A 238 ? 0.1305 0.1582 0.0076 0.0192  0.0115  0.0083  238  LEU A C    
3238 O  O    . LEU A 238 ? 0.1454 0.1717 0.0068 0.0243  -0.0051 0.0057  238  LEU A O    
3239 C  CB   . LEU A 238 ? 0.1562 0.1679 0.0243 0.0120  0.0040  0.0025  238  LEU A CB   
3240 C  CG   . LEU A 238 ? 0.1960 0.1698 0.0860 0.0059  -0.0080 0.0000  238  LEU A CG   
3241 C  CD1  . LEU A 238 ? 0.1931 0.1896 0.1407 -0.0042 -0.0118 -0.0051 238  LEU A CD1  
3242 C  CD2  . LEU A 238 ? 0.2259 0.1916 0.0910 0.0024  -0.0286 -0.0264 238  LEU A CD2  
3243 H  H    . LEU A 238 ? 0.1413 0.1504 0.0074 0.0184  0.0041  0.0122  238  LEU A H    
3244 H  HA   . LEU A 238 ? 0.1436 0.1549 0.0068 0.0178  0.0053  0.0072  238  LEU A HA   
3245 H  HB2  . LEU A 238 ? 0.1594 0.1635 0.0262 0.0127  0.0010  0.0038  238  LEU A HB2  
3246 H  HB3  . LEU A 238 ? 0.1592 0.1636 0.0282 0.0128  0.0015  0.0035  238  LEU A HB3  
3247 H  HG   . LEU A 238 ? 0.1901 0.1758 0.0766 0.0051  -0.0084 -0.0041 238  LEU A HG   
3248 H  HD11 . LEU A 238 ? 0.1944 0.1863 0.1250 -0.0009 -0.0100 -0.0022 238  LEU A HD11 
3249 H  HD12 . LEU A 238 ? 0.1956 0.1840 0.1250 -0.0014 -0.0096 -0.0030 238  LEU A HD12 
3250 H  HD13 . LEU A 238 ? 0.1939 0.1836 0.1333 -0.0005 -0.0089 -0.0020 238  LEU A HD13 
3251 H  HD21 . LEU A 238 ? 0.2207 0.1853 0.0889 0.0052  -0.0236 -0.0185 238  LEU A HD21 
3252 H  HD22 . LEU A 238 ? 0.2201 0.1868 0.0896 0.0018  -0.0217 -0.0187 238  LEU A HD22 
3253 H  HD23 . LEU A 238 ? 0.2181 0.1846 0.0893 0.0034  -0.0223 -0.0185 238  LEU A HD23 
3254 N  N    . PRO A 239 ? 0.1476 0.1742 0.0066 0.0290  -0.0047 0.0041  239  PRO A N    
3255 C  CA   . PRO A 239 ? 0.1437 0.1667 0.0066 0.0211  0.0067  0.0002  239  PRO A CA   
3256 C  C    . PRO A 239 ? 0.1294 0.1445 0.0077 0.0164  0.0108  -0.0060 239  PRO A C    
3257 O  O    . PRO A 239 ? 0.1375 0.1577 0.0074 0.0014  0.0071  -0.0100 239  PRO A O    
3258 C  CB   . PRO A 239 ? 0.1521 0.1775 0.0399 0.0304  -0.0018 -0.0054 239  PRO A CB   
3259 C  CG   . PRO A 239 ? 0.1792 0.1985 0.0411 0.0352  -0.0123 -0.0008 239  PRO A CG   
3260 C  CD   . PRO A 239 ? 0.1714 0.1885 0.0086 0.0333  -0.0171 0.0064  239  PRO A CD   
3261 H  HA   . PRO A 239 ? 0.1420 0.1643 0.0091 0.0228  0.0042  -0.0011 239  PRO A HA   
3262 H  HB2  . PRO A 239 ? 0.1552 0.1779 0.0308 0.0290  -0.0021 -0.0033 239  PRO A HB2  
3263 H  HB3  . PRO A 239 ? 0.1547 0.1780 0.0308 0.0290  -0.0017 -0.0031 239  PRO A HB3  
3264 H  HG2  . PRO A 239 ? 0.1744 0.1909 0.0306 0.0334  -0.0103 -0.0006 239  PRO A HG2  
3265 H  HG3  . PRO A 239 ? 0.1730 0.1921 0.0317 0.0352  -0.0129 -0.0018 239  PRO A HG3  
3266 H  HD2  . PRO A 239 ? 0.1674 0.1876 0.0078 0.0330  -0.0137 0.0043  239  PRO A HD2  
3267 H  HD3  . PRO A 239 ? 0.1660 0.1860 0.0076 0.0326  -0.0129 0.0044  239  PRO A HD3  
3268 N  N    . VAL A 240 ? 0.1368 0.1433 0.0073 0.0095  0.0096  0.0075  240  VAL A N    
3269 C  CA   . VAL A 240 ? 0.1279 0.1380 0.0072 0.0085  0.0104  0.0008  240  VAL A CA   
3270 C  C    . VAL A 240 ? 0.1293 0.1478 0.0067 0.0061  0.0068  0.0013  240  VAL A C    
3271 O  O    . VAL A 240 ? 0.1304 0.1594 0.0106 0.0083  0.0156  0.0057  240  VAL A O    
3272 C  CB   . VAL A 240 ? 0.1282 0.1451 0.0136 0.0092  0.0047  -0.0021 240  VAL A CB   
3273 C  CG1  . VAL A 240 ? 0.1285 0.1525 0.0220 0.0048  0.0081  -0.0024 240  VAL A CG1  
3274 C  CG2  . VAL A 240 ? 0.1395 0.1522 0.0306 0.0165  -0.0036 0.0056  240  VAL A CG2  
3275 H  H    . VAL A 240 ? 0.1326 0.1422 0.0071 0.0106  0.0101  0.0028  240  VAL A H    
3276 H  HA   . VAL A 240 ? 0.1298 0.1407 0.0069 0.0088  0.0087  0.0015  240  VAL A HA   
3277 H  HB   . VAL A 240 ? 0.1295 0.1459 0.0131 0.0095  0.0055  -0.0003 240  VAL A HB   
3278 H  HG11 . VAL A 240 ? 0.1285 0.1503 0.0198 0.0062  0.0071  -0.0025 240  VAL A HG11 
3279 H  HG12 . VAL A 240 ? 0.1285 0.1507 0.0212 0.0062  0.0073  -0.0032 240  VAL A HG12 
3280 H  HG13 . VAL A 240 ? 0.1287 0.1504 0.0200 0.0063  0.0073  -0.0024 240  VAL A HG13 
3281 H  HG21 . VAL A 240 ? 0.1375 0.1504 0.0254 0.0147  -0.0003 0.0037  240  VAL A HG21 
3282 H  HG22 . VAL A 240 ? 0.1365 0.1507 0.0248 0.0140  -0.0009 0.0034  240  VAL A HG22 
3283 H  HG23 . VAL A 240 ? 0.1386 0.1501 0.0256 0.0139  -0.0022 0.0034  240  VAL A HG23 
3284 N  N    . GLU A 241 ? 0.1284 0.1580 0.0081 0.0118  0.0110  0.0118  241  GLU A N    
3285 C  CA   . GLU A 241 ? 0.1314 0.1614 0.0082 0.0219  0.0097  0.0120  241  GLU A CA   
3286 C  C    . GLU A 241 ? 0.1195 0.1684 0.0139 0.0233  0.0070  0.0162  241  GLU A C    
3287 O  O    . GLU A 241 ? 0.1208 0.1779 0.0251 0.0219  0.0172  0.0302  241  GLU A O    
3288 C  CB   . GLU A 241 ? 0.1487 0.1647 0.0390 0.0307  0.0179  0.0035  241  GLU A CB   
3289 C  CG   . GLU A 241 ? 0.1464 0.1555 0.0483 0.0303  0.0134  0.0163  241  GLU A CG   
3290 C  CD   . GLU A 241 ? 0.1406 0.1722 0.0412 0.0215  0.0069  0.0120  241  GLU A CD   
3291 O  OE1  . GLU A 241 ? 0.1390 0.1637 0.0192 0.0059  0.0105  0.0078  241  GLU A OE1  
3292 O  OE2  . GLU A 241 ? 0.1607 0.1998 0.0476 0.0224  0.0036  0.0142  241  GLU A OE2  
3293 H  H    . GLU A 241 ? 0.1292 0.1547 0.0077 0.0122  0.0102  0.0099  241  GLU A H    
3294 H  HA   . GLU A 241 ? 0.1309 0.1623 0.0082 0.0214  0.0106  0.0119  241  GLU A HA   
3295 H  HB2  . GLU A 241 ? 0.1442 0.1621 0.0323 0.0284  0.0144  0.0087  241  GLU A HB2  
3296 H  HB3  . GLU A 241 ? 0.1444 0.1628 0.0321 0.0292  0.0152  0.0090  241  GLU A HB3  
3297 H  HG2  . GLU A 241 ? 0.1452 0.1616 0.0444 0.0288  0.0130  0.0125  241  GLU A HG2  
3298 H  HG3  . GLU A 241 ? 0.1443 0.1600 0.0445 0.0298  0.0130  0.0124  241  GLU A HG3  
3299 N  N    . SER A 242 ? 0.1404 0.1911 0.0199 0.0064  0.0188  0.0000  242  SER A N    
3300 C  CA   . SER A 242 ? 0.1392 0.2034 0.0313 -0.0024 0.0170  -0.0151 242  SER A CA   
3301 C  C    . SER A 242 ? 0.1316 0.1980 0.0333 -0.0113 0.0115  -0.0125 242  SER A C    
3302 O  O    . SER A 242 ? 0.1465 0.2450 0.0405 -0.0411 0.0061  -0.0301 242  SER A O    
3303 C  CB   . SER A 242 ? 0.1558 0.2073 0.0584 -0.0035 0.0311  -0.0374 242  SER A CB   
3304 O  OG   . SER A 242 ? 0.1894 0.2049 0.0641 0.0007  0.0135  -0.0124 242  SER A OG   
3305 H  H    . SER A 242 ? 0.1349 0.1866 0.0205 0.0094  0.0149  0.0012  242  SER A H    
3306 H  HA   . SER A 242 ? 0.1401 0.2002 0.0336 -0.0020 0.0186  -0.0146 242  SER A HA   
3307 H  HB2  . SER A 242 ? 0.1576 0.2061 0.0528 -0.0026 0.0234  -0.0271 242  SER A HB2  
3308 H  HB3  . SER A 242 ? 0.1581 0.2092 0.0549 -0.0017 0.0233  -0.0293 242  SER A HB3  
3309 H  HG   . SER A 242 ? 0.1581 0.1581 0.1581 0.0000  0.0000  0.0000  242  SER A HG   
3310 N  N    . TRP A 243 ? 0.1134 0.1665 0.0259 -0.0045 0.0183  0.0024  243  TRP A N    
3311 C  CA   . TRP A 243 ? 0.1257 0.1460 0.0106 -0.0011 0.0207  -0.0103 243  TRP A CA   
3312 C  C    . TRP A 243 ? 0.1247 0.1453 0.0086 -0.0046 0.0158  -0.0052 243  TRP A C    
3313 O  O    . TRP A 243 ? 0.1212 0.1364 0.0121 -0.0017 0.0187  -0.0045 243  TRP A O    
3314 C  CB   . TRP A 243 ? 0.1249 0.1552 0.0111 -0.0041 0.0226  -0.0094 243  TRP A CB   
3315 C  CG   . TRP A 243 ? 0.1163 0.1509 0.0100 0.0028  0.0194  -0.0057 243  TRP A CG   
3316 C  CD1  . TRP A 243 ? 0.1114 0.1509 0.0092 0.0128  0.0174  0.0001  243  TRP A CD1  
3317 C  CD2  . TRP A 243 ? 0.1186 0.1507 0.0075 0.0096  0.0115  0.0000  243  TRP A CD2  
3318 N  NE1  . TRP A 243 ? 0.1120 0.1508 0.0074 0.0114  0.0095  -0.0049 243  TRP A NE1  
3319 C  CE2  . TRP A 243 ? 0.1209 0.1507 0.0068 0.0123  0.0073  -0.0017 243  TRP A CE2  
3320 C  CE3  . TRP A 243 ? 0.1322 0.1405 0.0106 0.0102  0.0165  -0.0156 243  TRP A CE3  
3321 C  CZ2  . TRP A 243 ? 0.1295 0.1597 0.0064 0.0118  0.0009  -0.0042 243  TRP A CZ2  
3322 C  CZ3  . TRP A 243 ? 0.1236 0.1367 0.0132 0.0140  0.0061  -0.0039 243  TRP A CZ3  
3323 C  CH2  . TRP A 243 ? 0.1386 0.1464 0.0112 0.0123  0.0089  -0.0088 243  TRP A CH2  
3324 H  H    . TRP A 243 ? 0.1192 0.1664 0.0229 -0.0059 0.0178  -0.0035 243  TRP A H    
3325 H  HA   . TRP A 243 ? 0.1231 0.1502 0.0100 -0.0036 0.0199  -0.0076 243  TRP A HA   
3326 H  HB2  . TRP A 243 ? 0.1231 0.1524 0.0107 -0.0017 0.0214  -0.0085 243  TRP A HB2  
3327 H  HB3  . TRP A 243 ? 0.1230 0.1519 0.0107 -0.0018 0.0213  -0.0085 243  TRP A HB3  
3328 H  HD1  . TRP A 243 ? 0.1129 0.1505 0.0088 0.0102  0.0159  -0.0023 243  TRP A HD1  
3329 H  HE1  . TRP A 243 ? 0.1145 0.1507 0.0075 0.0118  0.0106  -0.0031 243  TRP A HE1  
3330 H  HE3  . TRP A 243 ? 0.1254 0.1419 0.0091 0.0116  0.0150  -0.0099 243  TRP A HE3  
3331 H  HZ2  . TRP A 243 ? 0.1290 0.1543 0.0066 0.0120  0.0045  -0.0046 243  TRP A HZ2  
3332 H  HZ3  . TRP A 243 ? 0.1284 0.1395 0.0088 0.0123  0.0098  -0.0073 243  TRP A HZ3  
3333 H  HH2  . TRP A 243 ? 0.1323 0.1467 0.0070 0.0126  0.0067  -0.0067 243  TRP A HH2  
3334 N  N    . ASN A 244 ? 0.1251 0.1457 0.0095 -0.0003 0.0191  -0.0037 244  ASN A N    
3335 C  CA   . ASN A 244 ? 0.1175 0.1463 0.0076 0.0035  0.0113  -0.0039 244  ASN A CA   
3336 C  C    . ASN A 244 ? 0.1175 0.1491 0.0074 -0.0019 0.0083  0.0084  244  ASN A C    
3337 O  O    . ASN A 244 ? 0.1325 0.1736 0.0073 -0.0063 0.0113  -0.0016 244  ASN A O    
3338 C  CB   . ASN A 244 ? 0.1259 0.1504 0.0068 0.0097  0.0040  0.0077  244  ASN A CB   
3339 C  CG   . ASN A 244 ? 0.1318 0.1484 0.0068 0.0150  -0.0007 0.0081  244  ASN A CG   
3340 O  OD1  . ASN A 244 ? 0.1349 0.1466 0.0172 0.0172  0.0063  0.0130  244  ASN A OD1  
3341 N  ND2  . ASN A 244 ? 0.1455 0.1541 0.0098 0.0186  -0.0191 0.0024  244  ASN A ND2  
3342 H  H    . ASN A 244 ? 0.1233 0.1459 0.0087 -0.0003 0.0164  -0.0035 244  ASN A H    
3343 H  HA   . ASN A 244 ? 0.1204 0.1472 0.0074 0.0029  0.0110  0.0008  244  ASN A HA   
3344 H  HB2  . ASN A 244 ? 0.1249 0.1490 0.0066 0.0094  0.0038  0.0051  244  ASN A HB2  
3345 H  HB3  . ASN A 244 ? 0.1251 0.1490 0.0066 0.0094  0.0043  0.0052  244  ASN A HB3  
3346 H  HD21 . ASN A 244 ? 0.1415 0.1522 0.0077 0.0173  -0.0124 0.0044  244  ASN A HD21 
3347 H  HD22 . ASN A 244 ? 0.1412 0.1524 0.0077 0.0175  -0.0126 0.0045  244  ASN A HD22 
3348 N  N    . GLY A 245 ? 0.1111 0.1514 0.0071 -0.0060 0.0089  0.0020  245  GLY A N    
3349 C  CA   . GLY A 245 ? 0.1163 0.1470 0.0076 -0.0034 0.0119  -0.0013 245  GLY A CA   
3350 C  C    . GLY A 245 ? 0.1173 0.1431 0.0094 -0.0011 0.0185  -0.0015 245  GLY A C    
3351 O  O    . GLY A 245 ? 0.1195 0.1449 0.0631 -0.0021 0.0292  0.0053  245  GLY A O    
3352 H  H    . GLY A 245 ? 0.1134 0.1493 0.0071 -0.0048 0.0088  0.0020  245  GLY A H    
3353 H  HA2  . GLY A 245 ? 0.1153 0.1473 0.0077 -0.0036 0.0124  -0.0003 245  GLY A HA2  
3354 H  HA3  . GLY A 245 ? 0.1153 0.1474 0.0077 -0.0035 0.0125  -0.0004 245  GLY A HA3  
3355 N  N    . PHE A 246 ? 0.1180 0.1413 0.0223 -0.0050 0.0219  0.0087  246  PHE A N    
3356 C  CA   . PHE A 246 ? 0.1210 0.1390 0.0084 -0.0003 0.0148  0.0049  246  PHE A CA   
3357 C  C    . PHE A 246 ? 0.1258 0.1451 0.0078 0.0063  0.0132  -0.0005 246  PHE A C    
3358 O  O    . PHE A 246 ? 0.1273 0.1507 0.0068 -0.0004 0.0062  0.0055  246  PHE A O    
3359 C  CB   . PHE A 246 ? 0.1237 0.1322 0.0090 -0.0055 0.0175  0.0022  246  PHE A CB   
3360 C  CG   . PHE A 246 ? 0.1224 0.1436 0.0078 -0.0004 0.0124  0.0055  246  PHE A CG   
3361 C  CD1  . PHE A 246 ? 0.1314 0.1404 0.0088 -0.0026 0.0166  0.0057  246  PHE A CD1  
3362 C  CD2  . PHE A 246 ? 0.1196 0.1447 0.0075 -0.0042 0.0119  0.0003  246  PHE A CD2  
3363 C  CE1  . PHE A 246 ? 0.1285 0.1421 0.0087 0.0037  0.0162  -0.0056 246  PHE A CE1  
3364 C  CE2  . PHE A 246 ? 0.1197 0.1509 0.0071 0.0018  0.0098  -0.0005 246  PHE A CE2  
3365 C  CZ   . PHE A 246 ? 0.1356 0.1452 0.0076 0.0086  0.0129  0.0000  246  PHE A CZ   
3366 H  H    . PHE A 246 ? 0.1179 0.1403 0.0132 -0.0037 0.0197  0.0056  246  PHE A H    
3367 H  HA   . PHE A 246 ? 0.1219 0.1392 0.0088 -0.0009 0.0164  0.0040  246  PHE A HA   
3368 H  HB2  . PHE A 246 ? 0.1234 0.1361 0.0088 -0.0033 0.0167  0.0037  246  PHE A HB2  
3369 H  HB3  . PHE A 246 ? 0.1221 0.1355 0.0086 -0.0040 0.0160  0.0037  246  PHE A HB3  
3370 H  HD1  . PHE A 246 ? 0.1299 0.1416 0.0084 -0.0006 0.0158  0.0030  246  PHE A HD1  
3371 H  HD2  . PHE A 246 ? 0.1201 0.1448 0.0075 -0.0024 0.0115  0.0011  246  PHE A HD2  
3372 H  HE1  . PHE A 246 ? 0.1303 0.1421 0.0083 0.0030  0.0155  -0.0016 246  PHE A HE1  
3373 H  HE2  . PHE A 246 ? 0.1214 0.1480 0.0073 0.0020  0.0106  -0.0001 246  PHE A HE2  
3374 H  HZ   . PHE A 246 ? 0.1296 0.1451 0.0077 0.0059  0.0129  -0.0013 246  PHE A HZ   
3375 N  N    . LYS A 247 ? 0.1202 0.1396 0.0073 -0.0009 0.0103  0.0020  247  LYS A N    
3376 C  CA   . LYS A 247 ? 0.1175 0.1339 0.0071 0.0036  0.0094  0.0019  247  LYS A CA   
3377 C  C    . LYS A 247 ? 0.1156 0.1322 0.0070 0.0025  0.0090  0.0005  247  LYS A C    
3378 O  O    . LYS A 247 ? 0.1203 0.1446 0.0128 0.0011  0.0097  0.0090  247  LYS A O    
3379 C  CB   . LYS A 247 ? 0.1244 0.1415 0.0085 0.0089  0.0159  0.0041  247  LYS A CB   
3380 C  CG   . LYS A 247 ? 0.1187 0.1546 0.0090 0.0104  0.0173  0.0021  247  LYS A CG   
3381 C  CD   . LYS A 247 ? 0.1145 0.1564 0.0136 0.0197  0.0278  0.0004  247  LYS A CD   
3382 C  CE   . LYS A 247 ? 0.1172 0.1633 0.0186 0.0265  0.0241  0.0082  247  LYS A CE   
3383 N  NZ   . LYS A 247 ? 0.1188 0.1611 0.0300 0.0207  0.0090  0.0143  247  LYS A NZ   
3384 H  H    . LYS A 247 ? 0.1199 0.1391 0.0073 0.0011  0.0109  0.0014  247  LYS A H    
3385 H  HA   . LYS A 247 ? 0.1188 0.1360 0.0073 0.0036  0.0106  0.0020  247  LYS A HA   
3386 H  HB2  . LYS A 247 ? 0.1216 0.1422 0.0083 0.0079  0.0149  0.0033  247  LYS A HB2  
3387 H  HB3  . LYS A 247 ? 0.1223 0.1422 0.0085 0.0081  0.0157  0.0035  247  LYS A HB3  
3388 H  HG2  . LYS A 247 ? 0.1187 0.1518 0.0094 0.0119  0.0185  0.0020  247  LYS A HG2  
3389 H  HG3  . LYS A 247 ? 0.1200 0.1521 0.0095 0.0118  0.0191  0.0023  247  LYS A HG3  
3390 H  HD2  . LYS A 247 ? 0.1158 0.1571 0.0119 0.0189  0.0247  0.0022  247  LYS A HD2  
3391 H  HD3  . LYS A 247 ? 0.1151 0.1573 0.0120 0.0191  0.0249  0.0025  247  LYS A HD3  
3392 H  HE2  . LYS A 247 ? 0.1169 0.1612 0.0197 0.0235  0.0219  0.0081  247  LYS A HE2  
3393 H  HE3  . LYS A 247 ? 0.1174 0.1609 0.0189 0.0234  0.0219  0.0077  247  LYS A HE3  
3394 H  HZ1  . LYS A 247 ? 0.1177 0.1618 0.0266 0.0225  0.0139  0.0124  247  LYS A HZ1  
3395 H  HZ2  . LYS A 247 ? 0.1182 0.1620 0.0280 0.0226  0.0141  0.0130  247  LYS A HZ2  
3396 H  HZ3  . LYS A 247 ? 0.1182 0.1619 0.0268 0.0225  0.0138  0.0125  247  LYS A HZ3  
3397 N  N    . THR A 248 ? 0.1233 0.1273 0.0076 0.0010  0.0118  0.0044  248  THR A N    
3398 C  CA   . THR A 248 ? 0.1240 0.1345 0.0082 0.0022  0.0148  0.0010  248  THR A CA   
3399 C  C    . THR A 248 ? 0.1248 0.1407 0.0077 0.0061  0.0125  0.0049  248  THR A C    
3400 O  O    . THR A 248 ? 0.1174 0.1525 0.0129 0.0087  0.0247  -0.0106 248  THR A O    
3401 C  CB   . THR A 248 ? 0.1202 0.1375 0.0098 0.0067  0.0195  0.0061  248  THR A CB   
3402 O  OG1  . THR A 248 ? 0.1462 0.1392 0.0075 0.0137  0.0128  0.0031  248  THR A OG1  
3403 C  CG2  . THR A 248 ? 0.1233 0.1429 0.0095 0.0130  0.0086  0.0102  248  THR A CG2  
3404 H  H    . THR A 248 ? 0.1219 0.1303 0.0076 0.0019  0.0120  0.0028  248  THR A H    
3405 H  HA   . THR A 248 ? 0.1230 0.1347 0.0082 0.0034  0.0147  0.0034  248  THR A HA   
3406 H  HB   . THR A 248 ? 0.1231 0.1376 0.0087 0.0070  0.0164  0.0055  248  THR A HB   
3407 H  HG1  . THR A 248 ? 0.1002 0.1002 0.1002 0.0000  0.0000  0.0000  248  THR A HG1  
3408 H  HG21 . THR A 248 ? 0.1218 0.1407 0.0081 0.0118  0.0115  0.0095  248  THR A HG21 
3409 H  HG22 . THR A 248 ? 0.1233 0.1413 0.0085 0.0117  0.0118  0.0091  248  THR A HG22 
3410 H  HG23 . THR A 248 ? 0.1225 0.1411 0.0107 0.0113  0.0115  0.0092  248  THR A HG23 
3411 N  N    . GLU A 249 ? 0.1176 0.1428 0.0101 0.0007  0.0189  0.0092  249  GLU A N    
3412 C  CA   . GLU A 249 ? 0.1327 0.1478 0.0122 0.0091  0.0268  0.0077  249  GLU A CA   
3413 C  C    . GLU A 249 ? 0.1367 0.1506 0.0103 0.0096  0.0213  0.0099  249  GLU A C    
3414 O  O    . GLU A 249 ? 0.1451 0.1497 0.0069 0.0107  0.0076  0.0057  249  GLU A O    
3415 C  CB   . GLU A 249 ? 0.1457 0.1530 0.0121 0.0067  0.0261  0.0131  249  GLU A CB   
3416 C  CG   . GLU A 249 ? 0.1350 0.1526 0.0091 0.0116  0.0185  0.0065  249  GLU A CG   
3417 C  CD   . GLU A 249 ? 0.1447 0.1520 0.0077 0.0066  0.0135  -0.0024 249  GLU A CD   
3418 O  OE1  . GLU A 249 ? 0.1571 0.1633 0.0199 0.0180  -0.0013 0.0042  249  GLU A OE1  
3419 O  OE2  . GLU A 249 ? 0.1355 0.1495 0.0359 -0.0023 0.0182  -0.0026 249  GLU A OE2  
3420 H  H    . GLU A 249 ? 0.1212 0.1425 0.0101 0.0030  0.0196  0.0081  249  GLU A H    
3421 H  HA   . GLU A 249 ? 0.1307 0.1480 0.0115 0.0071  0.0245  0.0091  249  GLU A HA   
3422 H  HB2  . GLU A 249 ? 0.1416 0.1517 0.0110 0.0083  0.0238  0.0103  249  GLU A HB2  
3423 H  HB3  . GLU A 249 ? 0.1404 0.1517 0.0112 0.0084  0.0243  0.0101  249  GLU A HB3  
3424 H  HG2  . GLU A 249 ? 0.1375 0.1524 0.0093 0.0098  0.0194  0.0057  249  GLU A HG2  
3425 H  HG3  . GLU A 249 ? 0.1388 0.1523 0.0091 0.0094  0.0189  0.0058  249  GLU A HG3  
3426 N  N    . GLY A 250 ? 0.1437 0.1429 0.0170 0.0068  0.0057  -0.0049 250  GLY A N    
3427 C  CA   . GLY A 250 ? 0.1603 0.1328 0.0101 0.0102  0.0102  -0.0050 250  GLY A CA   
3428 C  C    . GLY A 250 ? 0.1573 0.1453 0.0115 -0.0081 0.0124  0.0044  250  GLY A C    
3429 O  O    . GLY A 250 ? 0.1555 0.1852 0.0079 -0.0110 0.0121  0.0097  250  GLY A O    
3430 H  H    . GLY A 250 ? 0.1456 0.1425 0.0111 0.0079  0.0118  -0.0012 250  GLY A H    
3431 H  HA2  . GLY A 250 ? 0.1555 0.1361 0.0115 0.0058  0.0096  -0.0022 250  GLY A HA2  
3432 H  HA3  . GLY A 250 ? 0.1554 0.1378 0.0104 0.0055  0.0101  -0.0026 250  GLY A HA3  
3433 N  N    . SER A 251 ? 0.1607 0.1560 0.0199 -0.0074 0.0070  -0.0015 251  SER A N    
3434 C  CA   . SER A 251 ? 0.1607 0.1621 0.0216 -0.0041 0.0068  -0.0068 251  SER A CA   
3435 C  C    . SER A 251 ? 0.1487 0.1553 0.0077 -0.0044 0.0117  -0.0084 251  SER A C    
3436 O  O    . SER A 251 ? 0.1511 0.1840 0.0286 -0.0145 0.0203  0.0059  251  SER A O    
3437 C  CB   . SER A 251 ? 0.1853 0.1785 0.0275 -0.0081 0.0026  -0.0141 251  SER A CB   
3438 O  OG   . SER A 251 ? 0.2190 0.2235 0.1081 -0.0093 0.0228  -0.0291 251  SER A OG   
3439 H  H    . SER A 251 ? 0.1603 0.1546 0.0199 -0.0068 0.0075  -0.0008 251  SER A H    
3440 H  HA   . SER A 251 ? 0.1621 0.1627 0.0173 -0.0051 0.0068  -0.0082 251  SER A HA   
3441 H  HB2  . SER A 251 ? 0.1828 0.1797 0.0357 -0.0077 0.0080  -0.0139 251  SER A HB2  
3442 H  HB3  . SER A 251 ? 0.1837 0.1800 0.0363 -0.0077 0.0075  -0.0144 251  SER A HB3  
3443 H  HG   . SER A 251 ? 0.1915 0.1915 0.1915 0.0000  0.0000  0.0000  251  SER A HG   
3444 N  N    . LYS A 252 ? 0.1372 0.1506 0.0091 0.0090  0.0192  0.0026  252  LYS A N    
3445 C  CA   . LYS A 252 ? 0.1259 0.1533 0.0069 0.0118  0.0076  0.0046  252  LYS A CA   
3446 C  C    . LYS A 252 ? 0.1251 0.1364 0.0070 0.0115  0.0083  0.0055  252  LYS A C    
3447 O  O    . LYS A 252 ? 0.1417 0.1607 0.0067 0.0336  0.0017  0.0080  252  LYS A O    
3448 C  CB   . LYS A 252 ? 0.1327 0.1649 0.0068 0.0075  0.0024  0.0086  252  LYS A CB   
3449 C  CG   . LYS A 252 ? 0.1448 0.1735 0.0221 0.0021  -0.0034 0.0069  252  LYS A CG   
3450 C  CD   . LYS A 252 ? 0.1624 0.1827 0.0346 0.0048  -0.0127 0.0090  252  LYS A CD   
3451 C  CE   . LYS A 252 ? 0.1823 0.1912 0.0583 0.0110  -0.0123 -0.0021 252  LYS A CE   
3452 N  NZ   . LYS A 252 ? 0.1928 0.2078 0.0641 -0.0044 0.0067  0.0341  252  LYS A NZ   
3453 H  H    . LYS A 252 ? 0.1361 0.1525 0.0080 0.0068  0.0147  0.0005  252  LYS A H    
3454 H  HA   . LYS A 252 ? 0.1276 0.1517 0.0069 0.0108  0.0077  0.0054  252  LYS A HA   
3455 H  HB2  . LYS A 252 ? 0.1333 0.1636 0.0066 0.0075  0.0027  0.0070  252  LYS A HB2  
3456 H  HB3  . LYS A 252 ? 0.1328 0.1635 0.0067 0.0076  0.0024  0.0074  252  LYS A HB3  
3457 H  HG2  . LYS A 252 ? 0.1451 0.1731 0.0200 0.0037  -0.0037 0.0079  252  LYS A HG2  
3458 H  HG3  . LYS A 252 ? 0.1450 0.1726 0.0214 0.0041  -0.0039 0.0083  252  LYS A HG3  
3459 H  HD2  . LYS A 252 ? 0.1612 0.1814 0.0351 0.0057  -0.0101 0.0062  252  LYS A HD2  
3460 H  HD3  . LYS A 252 ? 0.1612 0.1817 0.0359 0.0054  -0.0102 0.0063  252  LYS A HD3  
3461 H  HE2  . LYS A 252 ? 0.1819 0.1925 0.0536 0.0076  -0.0090 0.0083  252  LYS A HE2  
3462 H  HE3  . LYS A 252 ? 0.1792 0.1917 0.0563 0.0062  -0.0091 0.0088  252  LYS A HE3  
3463 H  HZ1  . LYS A 252 ? 0.1888 0.2029 0.0614 0.0005  0.0009  0.0229  252  LYS A HZ1  
3464 H  HZ2  . LYS A 252 ? 0.1882 0.2027 0.0620 0.0000  0.0007  0.0229  252  LYS A HZ2  
3465 H  HZ3  . LYS A 252 ? 0.1887 0.2066 0.0621 0.0000  0.0005  0.0241  252  LYS A HZ3  
3466 N  N    . VAL A 253 ? 0.1185 0.1326 0.0065 0.0113  0.0035  0.0047  253  VAL A N    
3467 C  CA   . VAL A 253 ? 0.1198 0.1383 0.0101 0.0100  0.0205  0.0042  253  VAL A CA   
3468 C  C    . VAL A 253 ? 0.1265 0.1377 0.0072 0.0155  0.0091  0.0067  253  VAL A C    
3469 O  O    . VAL A 253 ? 0.1423 0.1302 0.0121 0.0148  0.0280  0.0012  253  VAL A O    
3470 C  CB   . VAL A 253 ? 0.1281 0.1364 0.0078 0.0063  0.0132  0.0042  253  VAL A CB   
3471 C  CG1  . VAL A 253 ? 0.1272 0.1458 0.0073 0.0112  0.0108  0.0045  253  VAL A CG1  
3472 C  CG2  . VAL A 253 ? 0.1433 0.1389 0.0083 0.0017  0.0164  0.0016  253  VAL A CG2  
3473 H  H    . VAL A 253 ? 0.1202 0.1346 0.0070 0.0113  0.0084  0.0047  253  VAL A H    
3474 H  HA   . VAL A 253 ? 0.1224 0.1366 0.0080 0.0108  0.0135  0.0049  253  VAL A HA   
3475 H  HB   . VAL A 253 ? 0.1289 0.1389 0.0081 0.0071  0.0146  0.0038  253  VAL A HB   
3476 H  HG11 . VAL A 253 ? 0.1273 0.1431 0.0075 0.0099  0.0116  0.0043  253  VAL A HG11 
3477 H  HG12 . VAL A 253 ? 0.1275 0.1437 0.0075 0.0098  0.0116  0.0041  253  VAL A HG12 
3478 H  HG13 . VAL A 253 ? 0.1278 0.1433 0.0075 0.0100  0.0117  0.0044  253  VAL A HG13 
3479 H  HG21 . VAL A 253 ? 0.1395 0.1385 0.0082 0.0034  0.0157  0.0027  253  VAL A HG21 
3480 H  HG22 . VAL A 253 ? 0.1388 0.1385 0.0081 0.0031  0.0153  0.0027  253  VAL A HG22 
3481 H  HG23 . VAL A 253 ? 0.1396 0.1389 0.0081 0.0024  0.0153  0.0026  253  VAL A HG23 
3482 N  N    . VAL A 254 ? 0.1217 0.1299 0.0076 0.0043  0.0099  0.0081  254  VAL A N    
3483 C  CA   . VAL A 254 ? 0.1200 0.1368 0.0076 0.0026  0.0121  0.0015  254  VAL A CA   
3484 C  C    . VAL A 254 ? 0.1106 0.1253 0.0079 0.0082  0.0125  0.0051  254  VAL A C    
3485 O  O    . VAL A 254 ? 0.1187 0.1248 0.0074 0.0116  0.0030  0.0112  254  VAL A O    
3486 C  CB   . VAL A 254 ? 0.1183 0.1481 0.0077 0.0007  0.0079  0.0108  254  VAL A CB   
3487 C  CG1  . VAL A 254 ? 0.1098 0.1622 0.0075 -0.0075 0.0008  0.0133  254  VAL A CG1  
3488 C  CG2  . VAL A 254 ? 0.1277 0.1534 0.0072 -0.0033 0.0029  0.0108  254  VAL A CG2  
3489 H  H    . VAL A 254 ? 0.1222 0.1330 0.0075 0.0067  0.0103  0.0063  254  VAL A H    
3490 H  HA   . VAL A 254 ? 0.1185 0.1354 0.0076 0.0035  0.0112  0.0051  254  VAL A HA   
3491 H  HB   . VAL A 254 ? 0.1184 0.1489 0.0073 -0.0007 0.0066  0.0092  254  VAL A HB   
3492 H  HG11 . VAL A 254 ? 0.1123 0.1590 0.0074 -0.0058 0.0026  0.0124  254  VAL A HG11 
3493 H  HG12 . VAL A 254 ? 0.1119 0.1581 0.0074 -0.0052 0.0027  0.0124  254  VAL A HG12 
3494 H  HG13 . VAL A 254 ? 0.1104 0.1581 0.0073 -0.0057 0.0017  0.0122  254  VAL A HG13 
3495 H  HG21 . VAL A 254 ? 0.1253 0.1522 0.0073 -0.0022 0.0045  0.0109  254  VAL A HG21 
3496 H  HG22 . VAL A 254 ? 0.1251 0.1523 0.0072 -0.0020 0.0044  0.0106  254  VAL A HG22 
3497 H  HG23 . VAL A 254 ? 0.1254 0.1527 0.0073 -0.0026 0.0043  0.0109  254  VAL A HG23 
3498 N  N    . MET A 255 ? 0.1098 0.1273 0.0087 0.0070  0.0147  0.0069  255  MET A N    
3499 C  CA   . MET A 255 ? 0.0960 0.1279 0.0088 0.0064  0.0134  0.0085  255  MET A CA   
3500 C  C    . MET A 255 ? 0.1011 0.1257 0.0088 0.0071  0.0144  0.0074  255  MET A C    
3501 O  O    . MET A 255 ? 0.1178 0.1351 0.0112 -0.0096 0.0233  0.0002  255  MET A O    
3502 C  CB   . MET A 255 ? 0.1026 0.1349 0.0081 0.0088  0.0093  0.0117  255  MET A CB   
3503 C  CG   . MET A 255 ? 0.0987 0.1429 0.0078 0.0155  0.0106  0.0085  255  MET A CG   
3504 S  SD   . MET A 255 ? 0.1149 0.1549 0.0132 0.0052  0.0055  -0.0024 255  MET A SD   
3505 C  CE   . MET A 255 ? 0.1242 0.1567 0.0072 0.0034  -0.0073 -0.0081 255  MET A CE   
3506 H  H    . MET A 255 ? 0.1070 0.1273 0.0085 0.0070  0.0138  0.0069  255  MET A H    
3507 H  HA   . MET A 255 ? 0.1008 0.1284 0.0085 0.0070  0.0130  0.0084  255  MET A HA   
3508 H  HB2  . MET A 255 ? 0.1004 0.1353 0.0081 0.0096  0.0105  0.0103  255  MET A HB2  
3509 H  HB3  . MET A 255 ? 0.1005 0.1351 0.0081 0.0095  0.0101  0.0105  255  MET A HB3  
3510 H  HG2  . MET A 255 ? 0.1018 0.1426 0.0076 0.0125  0.0102  0.0067  255  MET A HG2  
3511 H  HG3  . MET A 255 ? 0.1011 0.1421 0.0075 0.0131  0.0087  0.0082  255  MET A HG3  
3512 H  HE1  . MET A 255 ? 0.1221 0.1560 0.0072 0.0040  -0.0041 -0.0066 255  MET A HE1  
3513 H  HE2  . MET A 255 ? 0.1227 0.1558 0.0071 0.0043  -0.0040 -0.0064 255  MET A HE2  
3514 H  HE3  . MET A 255 ? 0.1221 0.1558 0.0072 0.0039  -0.0041 -0.0067 255  MET A HE3  
3515 N  N    . ASP A 256 ? 0.1071 0.1222 0.0072 0.0027  0.0094  0.0028  256  ASP A N    
3516 C  CA   . ASP A 256 ? 0.1096 0.1213 0.0068 -0.0009 0.0069  0.0010  256  ASP A CA   
3517 C  C    . ASP A 256 ? 0.1139 0.1199 0.0063 -0.0017 0.0005  0.0018  256  ASP A C    
3518 O  O    . ASP A 256 ? 0.1316 0.1181 0.0063 -0.0041 0.0016  0.0005  256  ASP A O    
3519 C  CB   . ASP A 256 ? 0.1153 0.1280 0.0064 0.0024  0.0019  -0.0026 256  ASP A CB   
3520 C  CG   . ASP A 256 ? 0.1198 0.1246 0.0063 -0.0007 -0.0025 -0.0001 256  ASP A CG   
3521 O  OD1  . ASP A 256 ? 0.1189 0.1232 0.0117 0.0021  -0.0038 0.0021  256  ASP A OD1  
3522 O  OD2  . ASP A 256 ? 0.1324 0.1302 0.0072 0.0083  0.0077  0.0076  256  ASP A OD2  
3523 H  H    . ASP A 256 ? 0.1062 0.1226 0.0074 0.0028  0.0099  0.0034  256  ASP A H    
3524 H  HA   . ASP A 256 ? 0.1112 0.1219 0.0066 0.0000  0.0053  0.0006  256  ASP A HA   
3525 H  HB2  . ASP A 256 ? 0.1150 0.1257 0.0063 0.0008  0.0021  -0.0008 256  ASP A HB2  
3526 H  HB3  . ASP A 256 ? 0.1151 0.1258 0.0063 0.0009  0.0023  -0.0010 256  ASP A HB3  
3527 N  N    . THR A 257 ? 0.1396 0.1182 0.0066 0.0010  0.0060  0.0026  257  THR A N    
3528 C  CA   . THR A 257 ? 0.1357 0.1235 0.0073 0.0073  -0.0010 0.0107  257  THR A CA   
3529 C  C    . THR A 257 ? 0.1296 0.1234 0.0065 0.0029  0.0035  0.0034  257  THR A C    
3530 O  O    . THR A 257 ? 0.1360 0.1284 0.0068 -0.0094 0.0068  0.0036  257  THR A O    
3531 C  CB   . THR A 257 ? 0.1485 0.1395 0.0188 0.0225  0.0067  0.0204  257  THR A CB   
3532 O  OG1  . THR A 257 ? 0.1570 0.1873 0.0200 0.0199  0.0043  0.0137  257  THR A OG1  
3533 C  CG2  . THR A 257 ? 0.1527 0.1509 0.0187 0.0245  0.0267  0.0189  257  THR A CG2  
3534 H  H    . THR A 257 ? 0.1314 0.1184 0.0064 0.0014  0.0029  0.0028  257  THR A H    
3535 H  HA   . THR A 257 ? 0.1364 0.1242 0.0070 0.0073  0.0023  0.0087  257  THR A HA   
3536 H  HB   . THR A 257 ? 0.1483 0.1441 0.0116 0.0197  0.0074  0.0172  257  THR A HB   
3537 H  HG1  . THR A 257 ? 0.1257 0.1257 0.1257 0.0000  0.0000  0.0000  257  THR A HG1  
3538 H  HG21 . THR A 257 ? 0.1516 0.1472 0.0193 0.0231  0.0209  0.0192  257  THR A HG21 
3539 H  HG22 . THR A 257 ? 0.1502 0.1465 0.0187 0.0230  0.0213  0.0195  257  THR A HG22 
3540 H  HG23 . THR A 257 ? 0.1510 0.1464 0.0213 0.0231  0.0215  0.0188  257  THR A HG23 
3541 N  N    . HIS A 258 ? 0.1295 0.1391 0.0064 -0.0007 -0.0004 0.0033  258  HIS A N    
3542 C  CA   . HIS A 258 ? 0.1354 0.1304 0.0072 -0.0060 -0.0006 0.0106  258  HIS A CA   
3543 C  C    . HIS A 258 ? 0.1427 0.1404 0.0083 -0.0117 -0.0011 0.0163  258  HIS A C    
3544 O  O    . HIS A 258 ? 0.1880 0.1547 0.0204 -0.0364 -0.0366 0.0253  258  HIS A O    
3545 C  CB   . HIS A 258 ? 0.1260 0.1358 0.0077 -0.0038 0.0071  0.0111  258  HIS A CB   
3546 C  CG   . HIS A 258 ? 0.1198 0.1396 0.0070 -0.0027 0.0055  0.0072  258  HIS A CG   
3547 N  ND1  . HIS A 258 ? 0.1280 0.1407 0.0071 -0.0007 0.0002  0.0104  258  HIS A ND1  
3548 C  CD2  . HIS A 258 ? 0.1266 0.1477 0.0074 -0.0007 0.0108  0.0037  258  HIS A CD2  
3549 C  CE1  . HIS A 258 ? 0.1259 0.1293 0.0064 0.0039  0.0034  -0.0004 258  HIS A CE1  
3550 N  NE2  . HIS A 258 ? 0.1160 0.1343 0.0070 0.0025  0.0059  -0.0070 258  HIS A NE2  
3551 H  H    . HIS A 258 ? 0.1304 0.1329 0.0065 -0.0013 0.0000  0.0047  258  HIS A H    
3552 H  HA   . HIS A 258 ? 0.1335 0.1348 0.0071 -0.0057 0.0006  0.0102  258  HIS A HA   
3553 H  HB2  . HIS A 258 ? 0.1275 0.1359 0.0076 -0.0034 0.0063  0.0109  258  HIS A HB2  
3554 H  HB3  . HIS A 258 ? 0.1263 0.1355 0.0074 -0.0041 0.0054  0.0102  258  HIS A HB3  
3555 H  HD1  . HIS A 258 ? 0.0932 0.0932 0.0932 0.0000  0.0000  0.0000  258  HIS A HD1  
3556 H  HD2  . HIS A 258 ? 0.1227 0.1426 0.0069 -0.0008 0.0080  0.0029  258  HIS A HD2  
3557 H  HE1  . HIS A 258 ? 0.1239 0.1316 0.0064 0.0028  0.0033  0.0004  258  HIS A HE1  
3558 H  HE2  . HIS A 258 ? 0.0850 0.0850 0.0850 0.0000  0.0000  0.0000  258  HIS A HE2  
3559 N  N    . HIS A 259 ? 0.1409 0.1379 0.0084 -0.0081 -0.0014 0.0168  259  HIS A N    
3560 C  CA   . HIS A 259 ? 0.1332 0.1336 0.0114 -0.0073 0.0007  0.0253  259  HIS A CA   
3561 C  C    . HIS A 259 ? 0.1225 0.1476 0.0112 -0.0060 -0.0029 0.0263  259  HIS A C    
3562 O  O    . HIS A 259 ? 0.1260 0.1549 0.0101 -0.0121 -0.0006 0.0237  259  HIS A O    
3563 C  CB   . HIS A 259 ? 0.1351 0.1478 0.0108 0.0014  0.0131  0.0212  259  HIS A CB   
3564 C  CG   . HIS A 259 ? 0.1349 0.1526 0.0287 0.0087  0.0238  0.0353  259  HIS A CG   
3565 N  ND1  . HIS A 259 ? 0.1364 0.1594 0.0332 0.0128  0.0281  0.0312  259  HIS A ND1  
3566 C  CD2  . HIS A 259 ? 0.1395 0.1519 0.0414 0.0159  0.0165  0.0317  259  HIS A CD2  
3567 C  CE1  . HIS A 259 ? 0.1368 0.1695 0.0342 0.0111  0.0255  0.0434  259  HIS A CE1  
3568 N  NE2  . HIS A 259 ? 0.1485 0.1530 0.0417 0.0088  0.0360  0.0539  259  HIS A NE2  
3569 H  H    . HIS A 259 ? 0.1384 0.1375 0.0088 -0.0088 -0.0019 0.0182  259  HIS A H    
3570 H  HA   . HIS A 259 ? 0.1339 0.1398 0.0103 -0.0058 0.0018  0.0231  259  HIS A HA   
3571 H  HB2  . HIS A 259 ? 0.1343 0.1447 0.0121 0.0007  0.0124  0.0253  259  HIS A HB2  
3572 H  HB3  . HIS A 259 ? 0.1340 0.1447 0.0120 0.0006  0.0119  0.0252  259  HIS A HB3  
3573 H  HD1  . HIS A 259 ? 0.1139 0.1139 0.1139 0.0000  0.0000  0.0000  259  HIS A HD1  
3574 H  HD2  . HIS A 259 ? 0.1388 0.1521 0.0377 0.0121  0.0219  0.0371  259  HIS A HD2  
3575 H  HE1  . HIS A 259 ? 0.1377 0.1631 0.0343 0.0115  0.0271  0.0432  259  HIS A HE1  
3576 H  HE2  . HIS A 259 ? 0.1208 0.1208 0.1208 0.0000  0.0000  0.0000  259  HIS A HE2  
3577 N  N    . TYR A 260 ? 0.1087 0.1357 0.0094 -0.0052 -0.0113 0.0159  260  TYR A N    
3578 C  CA   . TYR A 260 ? 0.1118 0.1446 0.0086 -0.0046 -0.0084 0.0155  260  TYR A CA   
3579 C  C    . TYR A 260 ? 0.1133 0.1485 0.0097 0.0000  -0.0034 0.0215  260  TYR A C    
3580 O  O    . TYR A 260 ? 0.1114 0.1655 0.0108 -0.0016 0.0022  0.0265  260  TYR A O    
3581 C  CB   . TYR A 260 ? 0.1124 0.1482 0.0084 -0.0072 -0.0001 0.0173  260  TYR A CB   
3582 C  CG   . TYR A 260 ? 0.1136 0.1478 0.0065 -0.0035 0.0008  0.0056  260  TYR A CG   
3583 C  CD1  . TYR A 260 ? 0.1138 0.1478 0.0072 -0.0037 -0.0005 0.0113  260  TYR A CD1  
3584 C  CD2  . TYR A 260 ? 0.1319 0.1428 0.0069 -0.0043 -0.0050 0.0077  260  TYR A CD2  
3585 C  CE1  . TYR A 260 ? 0.1058 0.1565 0.0075 0.0015  -0.0073 0.0102  260  TYR A CE1  
3586 C  CE2  . TYR A 260 ? 0.1248 0.1382 0.0095 0.0003  -0.0029 0.0166  260  TYR A CE2  
3587 C  CZ   . TYR A 260 ? 0.1251 0.1531 0.0075 0.0115  -0.0068 0.0102  260  TYR A CZ   
3588 O  OH   . TYR A 260 ? 0.1258 0.1722 0.0081 0.0271  0.0003  0.0170  260  TYR A OH   
3589 H  H    . TYR A 260 ? 0.1104 0.1398 0.0094 -0.0058 -0.0095 0.0178  260  TYR A H    
3590 H  HA   . TYR A 260 ? 0.1104 0.1435 0.0087 -0.0052 -0.0073 0.0164  260  TYR A HA   
3591 H  HB2  . TYR A 260 ? 0.1132 0.1474 0.0077 -0.0054 -0.0017 0.0142  260  TYR A HB2  
3592 H  HB3  . TYR A 260 ? 0.1125 0.1473 0.0077 -0.0057 -0.0017 0.0142  260  TYR A HB3  
3593 H  HD1  . TYR A 260 ? 0.1120 0.1486 0.0070 -0.0027 -0.0016 0.0100  260  TYR A HD1  
3594 H  HD2  . TYR A 260 ? 0.1258 0.1439 0.0070 -0.0033 -0.0033 0.0092  260  TYR A HD2  
3595 H  HE1  . TYR A 260 ? 0.1097 0.1531 0.0074 0.0016  -0.0062 0.0101  260  TYR A HE1  
3596 H  HE2  . TYR A 260 ? 0.1260 0.1407 0.0078 0.0009  -0.0041 0.0133  260  TYR A HE2  
3597 H  HH   . TYR A 260 ? 0.1012 0.1012 0.1012 0.0000  0.0000  0.0000  260  TYR A HH   
3598 N  N    . HIS A 261 ? 0.1030 0.1455 0.0103 -0.0024 -0.0099 0.0205  261  HIS A N    
3599 C  CA   . HIS A 261 ? 0.1232 0.1524 0.0091 0.0066  -0.0018 0.0199  261  HIS A CA   
3600 C  C    . HIS A 261 ? 0.1134 0.1668 0.0112 0.0091  0.0039  0.0278  261  HIS A C    
3601 O  O    . HIS A 261 ? 0.1496 0.1877 0.0191 0.0199  0.0002  0.0437  261  HIS A O    
3602 C  CB   . HIS A 261 ? 0.1347 0.1529 0.0165 0.0103  0.0137  0.0222  261  HIS A CB   
3603 C  CG   . HIS A 261 ? 0.1371 0.1475 0.0119 0.0112  0.0128  0.0219  261  HIS A CG   
3604 N  ND1  . HIS A 261 ? 0.1387 0.1430 0.0142 0.0075  0.0118  0.0226  261  HIS A ND1  
3605 C  CD2  . HIS A 261 ? 0.1639 0.1358 0.0331 0.0120  0.0243  0.0409  261  HIS A CD2  
3606 C  CE1  . HIS A 261 ? 0.1495 0.1432 0.0139 0.0082  0.0155  0.0189  261  HIS A CE1  
3607 N  NE2  . HIS A 261 ? 0.1564 0.1424 0.0102 0.0068  0.0107  0.0209  261  HIS A NE2  
3608 H  H    . HIS A 261 ? 0.1056 0.1474 0.0099 -0.0001 -0.0079 0.0204  261  HIS A H    
3609 H  HA   . HIS A 261 ? 0.1201 0.1532 0.0096 0.0058  0.0004  0.0221  261  HIS A HA   
3610 H  HB2  . HIS A 261 ? 0.1344 0.1517 0.0129 0.0097  0.0107  0.0216  261  HIS A HB2  
3611 H  HB3  . HIS A 261 ? 0.1327 0.1526 0.0144 0.0097  0.0097  0.0208  261  HIS A HB3  
3612 H  HD1  . HIS A 261 ? 0.1015 0.1015 0.1015 0.0000  0.0000  0.0000  261  HIS A HD1  
3613 H  HD2  . HIS A 261 ? 0.1538 0.1361 0.0207 0.0099  0.0182  0.0327  261  HIS A HD2  
3614 H  HE1  . HIS A 261 ? 0.1486 0.1429 0.0138 0.0078  0.0138  0.0205  261  HIS A HE1  
3615 H  HE2  . HIS A 261 ? 0.1067 0.1067 0.1067 0.0000  0.0000  0.0000  261  HIS A HE2  
3616 N  N    . MET A 262 ? 0.1165 0.1663 0.0098 0.0067  0.0091  0.0216  262  MET A N    
3617 C  CA   . MET A 262 ? 0.1201 0.1656 0.0084 -0.0038 0.0094  0.0145  262  MET A CA   
3618 C  C    . MET A 262 ? 0.1151 0.1652 0.0081 -0.0029 -0.0012 0.0169  262  MET A C    
3619 O  O    . MET A 262 ? 0.1296 0.1890 0.0068 -0.0086 0.0050  0.0071  262  MET A O    
3620 C  CB   . MET A 262 ? 0.1239 0.1649 0.0077 -0.0065 0.0036  0.0144  262  MET A CB   
3621 C  CG   . MET A 262 ? 0.1147 0.1575 0.0068 -0.0081 -0.0015 0.0084  262  MET A CG   
3622 S  SD   . MET A 262 ? 0.1267 0.1589 0.0073 -0.0033 -0.0001 0.0125  262  MET A SD   
3623 C  CE   . MET A 262 ? 0.1546 0.1670 0.0214 -0.0041 -0.0019 0.0071  262  MET A CE   
3624 H  H    . MET A 262 ? 0.1165 0.1652 0.0098 0.0048  0.0078  0.0221  262  MET A H    
3625 H  HA   . MET A 262 ? 0.1193 0.1657 0.0084 -0.0019 0.0064  0.0164  262  MET A HA   
3626 H  HB2  . MET A 262 ? 0.1219 0.1631 0.0075 -0.0065 0.0019  0.0137  262  MET A HB2  
3627 H  HB3  . MET A 262 ? 0.1213 0.1640 0.0076 -0.0059 0.0035  0.0135  262  MET A HB3  
3628 H  HG2  . MET A 262 ? 0.1179 0.1578 0.0069 -0.0076 -0.0005 0.0098  262  MET A HG2  
3629 H  HG3  . MET A 262 ? 0.1171 0.1589 0.0070 -0.0068 -0.0001 0.0103  262  MET A HG3  
3630 H  HE1  . MET A 262 ? 0.1494 0.1650 0.0128 -0.0048 -0.0024 0.0093  262  MET A HE1  
3631 H  HE2  . MET A 262 ? 0.1468 0.1666 0.0130 -0.0051 -0.0013 0.0083  262  MET A HE2  
3632 H  HE3  . MET A 262 ? 0.1467 0.1650 0.0202 -0.0045 -0.0024 0.0100  262  MET A HE3  
3633 N  N    . PHE A 263 ? 0.1203 0.1688 0.0072 -0.0075 0.0021  0.0120  263  PHE A N    
3634 C  CA   . PHE A 263 ? 0.1294 0.1673 0.0172 -0.0114 0.0015  0.0076  263  PHE A CA   
3635 C  C    . PHE A 263 ? 0.1426 0.1767 0.0522 -0.0157 -0.0094 0.0040  263  PHE A C    
3636 O  O    . PHE A 263 ? 0.1772 0.1908 0.1134 -0.0187 -0.0359 -0.0076 263  PHE A O    
3637 C  CB   . PHE A 263 ? 0.1385 0.1704 0.0253 -0.0110 0.0063  0.0111  263  PHE A CB   
3638 C  CG   . PHE A 263 ? 0.1302 0.1729 0.0093 -0.0172 0.0143  0.0129  263  PHE A CG   
3639 C  CD1  . PHE A 263 ? 0.1561 0.1983 0.0093 -0.0031 0.0192  0.0096  263  PHE A CD1  
3640 C  CD2  . PHE A 263 ? 0.1526 0.1770 0.0152 -0.0096 0.0017  -0.0007 263  PHE A CD2  
3641 C  CE1  . PHE A 263 ? 0.1454 0.2016 0.0126 0.0009  0.0264  0.0161  263  PHE A CE1  
3642 C  CE2  . PHE A 263 ? 0.1544 0.1804 0.0076 -0.0161 0.0104  0.0037  263  PHE A CE2  
3643 C  CZ   . PHE A 263 ? 0.1503 0.1968 0.0124 -0.0092 0.0183  0.0131  263  PHE A CZ   
3644 H  H    . PHE A 263 ? 0.1206 0.1674 0.0073 -0.0066 0.0017  0.0122  263  PHE A H    
3645 H  HA   . PHE A 263 ? 0.1299 0.1695 0.0197 -0.0107 0.0018  0.0083  263  PHE A HA   
3646 H  HB2  . PHE A 263 ? 0.1360 0.1707 0.0205 -0.0131 0.0058  0.0113  263  PHE A HB2  
3647 H  HB3  . PHE A 263 ? 0.1349 0.1712 0.0201 -0.0124 0.0069  0.0112  263  PHE A HB3  
3648 H  HD1  . PHE A 263 ? 0.1461 0.1906 0.0093 -0.0062 0.0180  0.0100  263  PHE A HD1  
3649 H  HD2  . PHE A 263 ? 0.1486 0.1774 0.0121 -0.0135 0.0064  0.0044  263  PHE A HD2  
3650 H  HE1  . PHE A 263 ? 0.1470 0.1980 0.0110 -0.0017 0.0231  0.0130  263  PHE A HE1  
3651 H  HE2  . PHE A 263 ? 0.1529 0.1829 0.0075 -0.0129 0.0101  0.0043  263  PHE A HE2  
3652 H  HZ   . PHE A 263 ? 0.1506 0.1931 0.0105 -0.0086 0.0184  0.0114  263  PHE A HZ   
3653 N  N    . ASP A 264 ? 0.1410 0.1832 0.0580 -0.0093 -0.0242 0.0084  264  ASP A N    
3654 C  CA   . ASP A 264 ? 0.1556 0.2019 0.0490 -0.0105 -0.0243 0.0209  264  ASP A CA   
3655 C  C    . ASP A 264 ? 0.1942 0.2113 0.0373 -0.0131 -0.0247 0.0179  264  ASP A C    
3656 O  O    . ASP A 264 ? 0.1788 0.2035 0.0377 -0.0230 -0.0437 0.0220  264  ASP A O    
3657 C  CB   . ASP A 264 ? 0.1490 0.2065 0.0785 -0.0166 -0.0114 0.0213  264  ASP A CB   
3658 C  CG   . ASP A 264 ? 0.1679 0.2065 0.1340 -0.0184 -0.0211 0.0212  264  ASP A CG   
3659 O  OD1  . ASP A 264 ? 0.1875 0.2521 0.2366 -0.0358 -0.0312 0.0206  264  ASP A OD1  
3660 O  OD2  . ASP A 264 ? 0.2087 0.2079 0.1653 -0.0377 -0.0259 0.0255  264  ASP A OD2  
3661 H  H    . ASP A 264 ? 0.1432 0.1841 0.0526 -0.0116 -0.0201 0.0099  264  ASP A H    
3662 H  HA   . ASP A 264 ? 0.1578 0.2003 0.0543 -0.0115 -0.0219 0.0180  264  ASP A HA   
3663 H  HB2  . ASP A 264 ? 0.1541 0.2043 0.0805 -0.0159 -0.0161 0.0220  264  ASP A HB2  
3664 H  HB3  . ASP A 264 ? 0.1543 0.2053 0.0811 -0.0155 -0.0163 0.0215  264  ASP A HB3  
3665 N  N    . ASN A 265 ? 0.1777 0.2182 0.0263 -0.0081 -0.0118 0.0080  265  ASN A N    
3666 C  CA   . ASN A 265 ? 0.1883 0.2163 0.0145 -0.0044 -0.0047 0.0048  265  ASN A CA   
3667 C  C    . ASN A 265 ? 0.1879 0.2046 0.0265 0.0027  -0.0141 0.0257  265  ASN A C    
3668 O  O    . ASN A 265 ? 0.1925 0.2236 0.1006 -0.0089 -0.0022 0.0205  265  ASN A O    
3669 C  CB   . ASN A 265 ? 0.2083 0.2246 0.0235 0.0120  -0.0147 -0.0132 265  ASN A CB   
3670 C  CG   . ASN A 265 ? 0.2387 0.2593 0.0466 0.0251  -0.0350 -0.0309 265  ASN A CG   
3671 O  OD1  . ASN A 265 ? 0.2792 0.2910 0.0680 0.0838  -0.0322 -0.0060 265  ASN A OD1  
3672 N  ND2  . ASN A 265 ? 0.2494 0.2898 0.0620 0.0207  -0.0523 -0.0408 265  ASN A ND2  
3673 H  H    . ASN A 265 ? 0.1833 0.2157 0.0266 -0.0085 -0.0133 0.0094  265  ASN A H    
3674 H  HA   . ASN A 265 ? 0.1891 0.2161 0.0210 -0.0006 -0.0099 0.0062  265  ASN A HA   
3675 H  HB2  . ASN A 265 ? 0.2087 0.2288 0.0254 0.0104  -0.0160 -0.0119 265  ASN A HB2  
3676 H  HB3  . ASN A 265 ? 0.2086 0.2282 0.0251 0.0103  -0.0159 -0.0114 265  ASN A HB3  
3677 H  HD21 . ASN A 265 ? 0.2472 0.2806 0.0574 0.0208  -0.0456 -0.0374 265  ASN A HD21 
3678 H  HD22 . ASN A 265 ? 0.2473 0.2830 0.0581 0.0206  -0.0472 -0.0356 265  ASN A HD22 
3679 N  N    . GLY A 266 ? 0.1754 0.2155 0.0524 0.0066  -0.0288 0.0382  266  GLY A N    
3680 C  CA   . GLY A 266 ? 0.1893 0.2122 0.0409 0.0167  -0.0359 0.0330  266  GLY A CA   
3681 C  C    . GLY A 266 ? 0.1878 0.1993 0.0551 0.0154  -0.0316 0.0307  266  GLY A C    
3682 O  O    . GLY A 266 ? 0.2104 0.2007 0.0594 0.0005  -0.0356 0.0308  266  GLY A O    
3683 H  H    . GLY A 266 ? 0.1815 0.2117 0.0429 0.0074  -0.0263 0.0337  266  GLY A H    
3684 H  HA2  . GLY A 266 ? 0.1861 0.2095 0.0458 0.0138  -0.0331 0.0345  266  GLY A HA2  
3685 H  HA3  . GLY A 266 ? 0.1875 0.2100 0.0468 0.0141  -0.0338 0.0338  266  GLY A HA3  
3686 N  N    . LEU A 267 ? 0.1594 0.1903 0.0408 0.0096  -0.0115 0.0320  267  LEU A N    
3687 C  CA   . LEU A 267 ? 0.1524 0.1778 0.0612 0.0102  -0.0193 0.0293  267  LEU A CA   
3688 C  C    . LEU A 267 ? 0.1599 0.1609 0.0365 0.0072  -0.0189 0.0303  267  LEU A C    
3689 O  O    . LEU A 267 ? 0.1514 0.1566 0.0625 -0.0062 -0.0097 0.0306  267  LEU A O    
3690 C  CB   . LEU A 267 ? 0.1476 0.1838 0.0528 0.0085  -0.0162 0.0236  267  LEU A CB   
3691 C  CG   . LEU A 267 ? 0.1516 0.2044 0.0715 0.0124  -0.0072 0.0158  267  LEU A CG   
3692 C  CD1  . LEU A 267 ? 0.1470 0.2073 0.0594 0.0081  0.0059  0.0158  267  LEU A CD1  
3693 C  CD2  . LEU A 267 ? 0.1857 0.2127 0.1271 -0.0064 0.0109  0.0071  267  LEU A CD2  
3694 H  H    . LEU A 267 ? 0.1637 0.1893 0.0487 0.0109  -0.0177 0.0311  267  LEU A H    
3695 H  HA   . LEU A 267 ? 0.1550 0.1782 0.0515 0.0091  -0.0171 0.0288  267  LEU A HA   
3696 H  HB2  . LEU A 267 ? 0.1492 0.1858 0.0580 0.0098  -0.0152 0.0229  267  LEU A HB2  
3697 H  HB3  . LEU A 267 ? 0.1480 0.1859 0.0568 0.0091  -0.0166 0.0226  267  LEU A HB3  
3698 H  HG   . LEU A 267 ? 0.1530 0.2014 0.0711 0.0076  -0.0050 0.0158  267  LEU A HG   
3699 H  HD11 . LEU A 267 ? 0.1464 0.2063 0.0628 0.0090  0.0027  0.0159  267  LEU A HD11 
3700 H  HD12 . LEU A 267 ? 0.1481 0.2064 0.0632 0.0092  0.0023  0.0158  267  LEU A HD12 
3701 H  HD13 . LEU A 267 ? 0.1479 0.2061 0.0629 0.0093  0.0021  0.0157  267  LEU A HD13 
3702 H  HD21 . LEU A 267 ? 0.1752 0.2148 0.1116 -0.0001 0.0058  0.0058  267  LEU A HD21 
3703 H  HD22 . LEU A 267 ? 0.1793 0.2115 0.1113 0.0019  0.0088  0.0105  267  LEU A HD22 
3704 H  HD23 . LEU A 267 ? 0.1778 0.2111 0.1095 0.0008  0.0037  0.0092  267  LEU A HD23 
3705 N  N    . ILE A 268 ? 0.1397 0.1714 0.0398 0.0029  -0.0160 0.0151  268  ILE A N    
3706 C  CA   . ILE A 268 ? 0.1447 0.1787 0.0248 -0.0013 -0.0164 0.0242  268  ILE A CA   
3707 C  C    . ILE A 268 ? 0.1540 0.1940 0.0183 0.0014  0.0000  0.0335  268  ILE A C    
3708 O  O    . ILE A 268 ? 0.1583 0.1970 0.0187 -0.0129 0.0053  0.0382  268  ILE A O    
3709 C  CB   . ILE A 268 ? 0.1483 0.1719 0.0231 -0.0027 -0.0129 0.0148  268  ILE A CB   
3710 C  CG1  . ILE A 268 ? 0.1533 0.1864 0.0370 -0.0057 -0.0004 0.0138  268  ILE A CG1  
3711 C  CG2  . ILE A 268 ? 0.1640 0.1808 0.0230 -0.0122 -0.0079 0.0094  268  ILE A CG2  
3712 C  CD1  . ILE A 268 ? 0.1703 0.1877 0.0146 -0.0091 0.0068  0.0170  268  ILE A CD1  
3713 H  H    . ILE A 268 ? 0.1449 0.1699 0.0353 0.0022  -0.0171 0.0202  268  ILE A H    
3714 H  HA   . ILE A 268 ? 0.1452 0.1780 0.0237 -0.0005 -0.0142 0.0219  268  ILE A HA   
3715 H  HB   . ILE A 268 ? 0.1512 0.1767 0.0255 -0.0049 -0.0103 0.0158  268  ILE A HB   
3716 H  HG12 . ILE A 268 ? 0.1561 0.1842 0.0302 -0.0050 -0.0019 0.0144  268  ILE A HG12 
3717 H  HG13 . ILE A 268 ? 0.1559 0.1832 0.0359 -0.0054 -0.0007 0.0156  268  ILE A HG13 
3718 H  HG21 . ILE A 268 ? 0.1602 0.1786 0.0235 -0.0092 -0.0094 0.0113  268  ILE A HG21 
3719 H  HG22 . ILE A 268 ? 0.1619 0.1787 0.0234 -0.0097 -0.0091 0.0111  268  ILE A HG22 
3720 H  HG23 . ILE A 268 ? 0.1599 0.1791 0.0232 -0.0095 -0.0093 0.0114  268  ILE A HG23 
3721 H  HD11 . ILE A 268 ? 0.1655 0.1869 0.0152 -0.0082 0.0044  0.0157  268  ILE A HD11 
3722 H  HD12 . ILE A 268 ? 0.1652 0.1865 0.0195 -0.0085 0.0049  0.0163  268  ILE A HD12 
3723 H  HD13 . ILE A 268 ? 0.1672 0.1868 0.0197 -0.0081 0.0053  0.0161  268  ILE A HD13 
3724 N  N    . ALA A 269 ? 0.1759 0.1985 0.0236 -0.0020 -0.0109 0.0405  269  ALA A N    
3725 C  CA   . ALA A 269 ? 0.1976 0.2006 0.0264 -0.0015 -0.0082 0.0437  269  ALA A CA   
3726 C  C    . ALA A 269 ? 0.2043 0.1991 0.0541 0.0043  -0.0081 0.0536  269  ALA A C    
3727 O  O    . ALA A 269 ? 0.2864 0.2074 0.0768 0.0141  -0.0166 0.0738  269  ALA A O    
3728 C  CB   . ALA A 269 ? 0.2296 0.1868 0.0429 0.0023  -0.0301 0.0256  269  ALA A CB   
3729 H  H    . ALA A 269 ? 0.1743 0.1971 0.0231 -0.0007 -0.0078 0.0389  269  ALA A H    
3730 H  HA   . ALA A 269 ? 0.1973 0.1975 0.0327 0.0001  -0.0111 0.0414  269  ALA A HA   
3731 H  HB1  . ALA A 269 ? 0.2215 0.1933 0.0400 0.0015  -0.0238 0.0292  269  ALA A HB1  
3732 H  HB2  . ALA A 269 ? 0.2219 0.1893 0.0380 0.0009  -0.0234 0.0291  269  ALA A HB2  
3733 H  HB3  . ALA A 269 ? 0.2247 0.1912 0.0396 0.0008  -0.0254 0.0308  269  ALA A HB3  
3734 N  N    . MET A 270 ? 0.1816 0.1703 0.0524 0.0078  -0.0048 0.0538  270  MET A N    
3735 C  CA   . MET A 270 ? 0.1734 0.1830 0.0588 0.0134  -0.0069 0.0514  270  MET A CA   
3736 C  C    . MET A 270 ? 0.1764 0.1711 0.0450 0.0108  0.0009  0.0515  270  MET A C    
3737 O  O    . MET A 270 ? 0.1641 0.1848 0.0712 0.0113  0.0015  0.0547  270  MET A O    
3738 C  CB   . MET A 270 ? 0.1672 0.1880 0.0521 0.0127  -0.0117 0.0417  270  MET A CB   
3739 C  CG   . MET A 270 ? 0.1749 0.2070 0.0593 0.0151  -0.0184 0.0317  270  MET A CG   
3740 S  SD   . MET A 270 ? 0.1812 0.2014 0.0873 -0.0042 0.0013  0.0192  270  MET A SD   
3741 C  CE   . MET A 270 ? 0.1942 0.2484 0.0994 0.0116  -0.0133 0.0204  270  MET A CE   
3742 H  H    . MET A 270 ? 0.1840 0.1750 0.0519 0.0081  -0.0060 0.0554  270  MET A H    
3743 H  HA   . MET A 270 ? 0.1752 0.1797 0.0542 0.0120  -0.0059 0.0505  270  MET A HA   
3744 H  HB2  . MET A 270 ? 0.1699 0.1895 0.0547 0.0137  -0.0122 0.0422  270  MET A HB2  
3745 H  HB3  . MET A 270 ? 0.1703 0.1898 0.0546 0.0134  -0.0120 0.0413  270  MET A HB3  
3746 H  HG2  . MET A 270 ? 0.1739 0.2006 0.0623 0.0115  -0.0134 0.0325  270  MET A HG2  
3747 H  HG3  . MET A 270 ? 0.1743 0.2017 0.0628 0.0111  -0.0132 0.0326  270  MET A HG3  
3748 H  HE1  . MET A 270 ? 0.1913 0.2377 0.0979 0.0064  -0.0092 0.0190  270  MET A HE1  
3749 H  HE2  . MET A 270 ? 0.1911 0.2380 0.0988 0.0069  -0.0098 0.0220  270  MET A HE2  
3750 H  HE3  . MET A 270 ? 0.1929 0.2360 0.0997 0.0078  -0.0118 0.0194  270  MET A HE3  
3751 N  N    . ASP A 271 ? 0.1774 0.1751 0.0536 0.0067  0.0061  0.0464  271  ASP A N    
3752 C  CA   . ASP A 271 ? 0.1798 0.1784 0.0573 -0.0068 0.0182  0.0422  271  ASP A CA   
3753 C  C    . ASP A 271 ? 0.1649 0.1779 0.0597 -0.0093 0.0206  0.0549  271  ASP A C    
3754 O  O    . ASP A 271 ? 0.1641 0.1618 0.0638 -0.0219 0.0123  0.0427  271  ASP A O    
3755 C  CB   . ASP A 271 ? 0.1980 0.1892 0.0546 -0.0131 0.0047  0.0458  271  ASP A CB   
3756 C  CG   . ASP A 271 ? 0.2229 0.1955 0.1011 0.0038  0.0086  0.0517  271  ASP A CG   
3757 O  OD1  . ASP A 271 ? 0.2478 0.2025 0.1180 0.0201  0.0167  0.0811  271  ASP A OD1  
3758 O  OD2  . ASP A 271 ? 0.3006 0.2411 0.1716 0.0248  0.0275  0.0865  271  ASP A OD2  
3759 H  H    . ASP A 271 ? 0.1771 0.1748 0.0523 0.0052  0.0068  0.0470  271  ASP A H    
3760 H  HA   . ASP A 271 ? 0.1792 0.1795 0.0565 -0.0052 0.0139  0.0461  271  ASP A HA   
3761 H  HB2  . ASP A 271 ? 0.1955 0.1878 0.0621 -0.0095 0.0082  0.0457  271  ASP A HB2  
3762 H  HB3  . ASP A 271 ? 0.1972 0.1876 0.0567 -0.0083 0.0094  0.0456  271  ASP A HB3  
3763 N  N    . ILE A 272 ? 0.1713 0.1854 0.0886 -0.0205 0.0160  0.0617  272  ILE A N    
3764 C  CA   . ILE A 272 ? 0.1775 0.1894 0.0898 -0.0165 0.0033  0.0597  272  ILE A CA   
3765 C  C    . ILE A 272 ? 0.1611 0.1835 0.0930 -0.0145 -0.0061 0.0530  272  ILE A C    
3766 O  O    . ILE A 272 ? 0.1486 0.1616 0.1120 -0.0081 0.0128  0.0464  272  ILE A O    
3767 C  CB   . ILE A 272 ? 0.1820 0.2133 0.1266 -0.0176 -0.0045 0.0546  272  ILE A CB   
3768 C  CG1  . ILE A 272 ? 0.1933 0.2319 0.1272 -0.0106 -0.0354 0.0674  272  ILE A CG1  
3769 C  CG2  . ILE A 272 ? 0.1747 0.2030 0.1403 -0.0291 -0.0050 0.0529  272  ILE A CG2  
3770 C  CD1  . ILE A 272 ? 0.2182 0.2403 0.1438 -0.0213 -0.0259 0.0600  272  ILE A CD1  
3771 H  H    . ILE A 272 ? 0.1701 0.1839 0.0810 -0.0178 0.0150  0.0599  272  ILE A H    
3772 H  HA   . ILE A 272 ? 0.1738 0.1899 0.0960 -0.0170 0.0025  0.0583  272  ILE A HA   
3773 H  HB   . ILE A 272 ? 0.1813 0.2093 0.1213 -0.0179 -0.0080 0.0574  272  ILE A HB   
3774 H  HG12 . ILE A 272 ? 0.1945 0.2288 0.1303 -0.0152 -0.0265 0.0626  272  ILE A HG12 
3775 H  HG13 . ILE A 272 ? 0.1960 0.2291 0.1304 -0.0152 -0.0263 0.0630  272  ILE A HG13 
3776 H  HG21 . ILE A 272 ? 0.1768 0.2055 0.1367 -0.0260 -0.0050 0.0534  272  ILE A HG21 
3777 H  HG22 . ILE A 272 ? 0.1775 0.2058 0.1391 -0.0260 -0.0044 0.0534  272  ILE A HG22 
3778 H  HG23 . ILE A 272 ? 0.1756 0.2057 0.1372 -0.0267 -0.0057 0.0531  272  ILE A HG23 
3779 H  HD11 . ILE A 272 ? 0.2119 0.2382 0.1399 -0.0186 -0.0291 0.0630  272  ILE A HD11 
3780 H  HD12 . ILE A 272 ? 0.2124 0.2368 0.1388 -0.0169 -0.0274 0.0625  272  ILE A HD12 
3781 H  HD13 . ILE A 272 ? 0.2111 0.2376 0.1430 -0.0179 -0.0279 0.0625  272  ILE A HD13 
3782 N  N    . ASP A 273 ? 0.1645 0.1777 0.1130 -0.0141 0.0057  0.0489  273  ASP A N    
3783 C  CA   . ASP A 273 ? 0.1926 0.1660 0.1173 -0.0036 0.0004  0.0472  273  ASP A CA   
3784 C  C    . ASP A 273 ? 0.1790 0.1537 0.0788 0.0039  0.0027  0.0466  273  ASP A C    
3785 O  O    . ASP A 273 ? 0.1813 0.1816 0.0854 -0.0026 0.0190  0.0302  273  ASP A O    
3786 C  CB   . ASP A 273 ? 0.2252 0.1732 0.1748 -0.0023 -0.0217 0.0677  273  ASP A CB   
3787 C  CG   . ASP A 273 ? 0.2931 0.2067 0.2211 -0.0245 -0.0567 0.0725  273  ASP A CG   
3788 O  OD1  . ASP A 273 ? 0.3247 0.2676 0.2797 -0.0712 -0.0746 0.0278  273  ASP A OD1  
3789 O  OD2  . ASP A 273 ? 0.4359 0.3000 0.3243 -0.1007 0.0001  0.1139  273  ASP A OD2  
3790 H  H    . ASP A 273 ? 0.1695 0.1769 0.1082 -0.0124 0.0021  0.0504  273  ASP A H    
3791 H  HA   . ASP A 273 ? 0.1881 0.1670 0.1164 -0.0041 -0.0013 0.0506  273  ASP A HA   
3792 H  HB2  . ASP A 273 ? 0.2268 0.1767 0.1711 -0.0065 -0.0220 0.0635  273  ASP A HB2  
3793 H  HB3  . ASP A 273 ? 0.2257 0.1765 0.1657 -0.0062 -0.0215 0.0630  273  ASP A HB3  
3794 N  N    . SER A 274 ? 0.1825 0.1550 0.0814 0.0032  0.0011  0.0384  274  SER A N    
3795 C  CA   . SER A 274 ? 0.1533 0.1717 0.0709 0.0024  -0.0019 0.0544  274  SER A CA   
3796 C  C    . SER A 274 ? 0.1322 0.1620 0.0488 0.0009  0.0036  0.0427  274  SER A C    
3797 O  O    . SER A 274 ? 0.1583 0.1785 0.0577 -0.0150 0.0150  0.0393  274  SER A O    
3798 C  CB   . SER A 274 ? 0.1807 0.1917 0.0810 0.0196  -0.0165 0.0448  274  SER A CB   
3799 O  OG   . SER A 274 ? 0.2530 0.2221 0.1051 0.0275  -0.0355 0.0655  274  SER A OG   
3800 H  H    . SER A 274 ? 0.1768 0.1591 0.0807 0.0037  -0.0011 0.0436  274  SER A H    
3801 H  HA   . SER A 274 ? 0.1582 0.1696 0.0693 0.0050  -0.0025 0.0474  274  SER A HA   
3802 H  HB2  . SER A 274 ? 0.1817 0.1903 0.0814 0.0174  -0.0153 0.0509  274  SER A HB2  
3803 H  HB3  . SER A 274 ? 0.1832 0.1905 0.0816 0.0169  -0.0158 0.0512  274  SER A HB3  
3804 H  HG   . SER A 274 ? 0.2041 0.2041 0.2041 0.0000  0.0000  0.0000  274  SER A HG   
3805 N  N    . HIS A 275 ? 0.1292 0.1688 0.0410 -0.0084 -0.0056 0.0436  275  HIS A N    
3806 C  CA   . HIS A 275 ? 0.1357 0.1542 0.0377 -0.0012 0.0051  0.0347  275  HIS A CA   
3807 C  C    . HIS A 275 ? 0.1464 0.1417 0.0439 -0.0003 0.0123  0.0378  275  HIS A C    
3808 O  O    . HIS A 275 ? 0.1688 0.1450 0.0707 -0.0027 0.0329  0.0369  275  HIS A O    
3809 C  CB   . HIS A 275 ? 0.1312 0.1574 0.0274 -0.0023 0.0015  0.0266  275  HIS A CB   
3810 C  CG   . HIS A 275 ? 0.1450 0.1593 0.0201 -0.0027 0.0034  0.0386  275  HIS A CG   
3811 N  ND1  . HIS A 275 ? 0.1537 0.1644 0.0389 -0.0074 -0.0034 0.0368  275  HIS A ND1  
3812 C  CD2  . HIS A 275 ? 0.1531 0.1712 0.0341 0.0045  0.0078  0.0503  275  HIS A CD2  
3813 C  CE1  . HIS A 275 ? 0.1456 0.1674 0.0238 -0.0029 -0.0018 0.0453  275  HIS A CE1  
3814 N  NE2  . HIS A 275 ? 0.1550 0.1673 0.0369 0.0027  0.0042  0.0432  275  HIS A NE2  
3815 H  H    . HIS A 275 ? 0.1314 0.1639 0.0421 -0.0046 -0.0007 0.0414  275  HIS A H    
3816 H  HA   . HIS A 275 ? 0.1356 0.1558 0.0373 -0.0026 0.0038  0.0355  275  HIS A HA   
3817 H  HB2  . HIS A 275 ? 0.1350 0.1568 0.0286 -0.0025 0.0028  0.0309  275  HIS A HB2  
3818 H  HB3  . HIS A 275 ? 0.1353 0.1578 0.0302 -0.0024 0.0031  0.0299  275  HIS A HB3  
3819 H  HD1  . HIS A 275 ? 0.1230 0.1230 0.1230 0.0000  0.0000  0.0000  275  HIS A HD1  
3820 H  HD2  . HIS A 275 ? 0.1520 0.1689 0.0317 0.0030  0.0058  0.0456  275  HIS A HD2  
3821 H  HE1  . HIS A 275 ? 0.1492 0.1670 0.0301 -0.0024 -0.0006 0.0429  275  HIS A HE1  
3822 H  HE2  . HIS A 275 ? 0.1269 0.1269 0.1269 0.0000  0.0000  0.0000  275  HIS A HE2  
3823 N  N    . ILE A 276 ? 0.1688 0.1440 0.0677 -0.0009 0.0165  0.0336  276  ILE A N    
3824 C  CA   . ILE A 276 ? 0.1916 0.1629 0.0631 0.0072  0.0107  0.0328  276  ILE A CA   
3825 C  C    . ILE A 276 ? 0.1879 0.1555 0.0510 0.0050  0.0226  0.0340  276  ILE A C    
3826 O  O    . ILE A 276 ? 0.1812 0.1692 0.0605 0.0035  0.0193  0.0440  276  ILE A O    
3827 C  CB   . ILE A 276 ? 0.2036 0.1719 0.0653 0.0089  -0.0041 0.0278  276  ILE A CB   
3828 C  CG1  . ILE A 276 ? 0.2179 0.2123 0.0730 -0.0074 -0.0063 0.0197  276  ILE A CG1  
3829 C  CG2  . ILE A 276 ? 0.2223 0.1649 0.0822 0.0086  -0.0061 0.0073  276  ILE A CG2  
3830 C  CD1  . ILE A 276 ? 0.2299 0.2444 0.0864 -0.0288 0.0024  0.0295  276  ILE A CD1  
3831 H  H    . ILE A 276 ? 0.1665 0.1474 0.0596 0.0006  0.0139  0.0347  276  ILE A H    
3832 H  HA   . ILE A 276 ? 0.1878 0.1594 0.0626 0.0051  0.0119  0.0320  276  ILE A HA   
3833 H  HB   . ILE A 276 ? 0.2067 0.1725 0.0654 0.0061  -0.0021 0.0271  276  ILE A HB   
3834 H  HG12 . ILE A 276 ? 0.2163 0.2092 0.0759 -0.0077 -0.0035 0.0220  276  ILE A HG12 
3835 H  HG13 . ILE A 276 ? 0.2154 0.2071 0.0739 -0.0074 -0.0034 0.0236  276  ILE A HG13 
3836 H  HG21 . ILE A 276 ? 0.2171 0.1695 0.0805 0.0084  -0.0054 0.0105  276  ILE A HG21 
3837 H  HG22 . ILE A 276 ? 0.2186 0.1676 0.0779 0.0078  -0.0048 0.0128  276  ILE A HG22 
3838 H  HG23 . ILE A 276 ? 0.2169 0.1672 0.0779 0.0075  -0.0055 0.0126  276  ILE A HG23 
3839 H  HD11 . ILE A 276 ? 0.2268 0.2337 0.0867 -0.0222 -0.0014 0.0274  276  ILE A HD11 
3840 H  HD12 . ILE A 276 ? 0.2268 0.2357 0.0853 -0.0227 0.0000  0.0244  276  ILE A HD12 
3841 H  HD13 . ILE A 276 ? 0.2288 0.2336 0.0834 -0.0226 -0.0005 0.0262  276  ILE A HD13 
3842 N  N    . ASP A 277 ? 0.1925 0.1566 0.0680 0.0133  0.0316  0.0539  277  ASP A N    
3843 C  CA   . ASP A 277 ? 0.1889 0.1847 0.0793 0.0170  0.0287  0.0496  277  ASP A CA   
3844 C  C    . ASP A 277 ? 0.1706 0.1735 0.0604 0.0290  0.0313  0.0664  277  ASP A C    
3845 O  O    . ASP A 277 ? 0.1689 0.1668 0.0656 0.0138  0.0402  0.0367  277  ASP A O    
3846 C  CB   . ASP A 277 ? 0.2337 0.2172 0.0904 0.0256  0.0216  0.0592  277  ASP A CB   
3847 C  CG   . ASP A 277 ? 0.2999 0.2531 0.1515 0.0164  0.0265  0.0545  277  ASP A CG   
3848 O  OD1  . ASP A 277 ? 0.3853 0.2331 0.2184 0.0132  -0.0010 0.0632  277  ASP A OD1  
3849 O  OD2  . ASP A 277 ? 0.3800 0.3121 0.2048 0.0298  0.0246  0.1074  277  ASP A OD2  
3850 H  H    . ASP A 277 ? 0.1896 0.1609 0.0634 0.0109  0.0302  0.0493  277  ASP A H    
3851 H  HA   . ASP A 277 ? 0.1931 0.1807 0.0753 0.0199  0.0284  0.0550  277  ASP A HA   
3852 H  HB2  . ASP A 277 ? 0.2300 0.2125 0.0962 0.0217  0.0244  0.0560  277  ASP A HB2  
3853 H  HB3  . ASP A 277 ? 0.2313 0.2123 0.0958 0.0221  0.0247  0.0560  277  ASP A HB3  
3854 N  N    . ALA A 278 ? 0.1472 0.1680 0.0706 0.0246  0.0171  0.0574  278  ALA A N    
3855 C  CA   . ALA A 278 ? 0.1579 0.1621 0.0665 0.0124  0.0199  0.0427  278  ALA A CA   
3856 C  C    . ALA A 278 ? 0.1408 0.1513 0.0622 -0.0004 0.0157  0.0348  278  ALA A C    
3857 O  O    . ALA A 278 ? 0.1398 0.1636 0.0636 -0.0119 0.0112  0.0373  278  ALA A O    
3858 C  CB   . ALA A 278 ? 0.1449 0.1707 0.0653 0.0083  0.0136  0.0454  278  ALA A CB   
3859 H  H    . ALA A 278 ? 0.1546 0.1676 0.0674 0.0225  0.0214  0.0561  278  ALA A H    
3860 H  HA   . ALA A 278 ? 0.1537 0.1625 0.0662 0.0114  0.0185  0.0445  278  ALA A HA   
3861 H  HB1  . ALA A 278 ? 0.1481 0.1685 0.0655 0.0096  0.0153  0.0447  278  ALA A HB1  
3862 H  HB2  . ALA A 278 ? 0.1481 0.1683 0.0652 0.0096  0.0153  0.0449  278  ALA A HB2  
3863 H  HB3  . ALA A 278 ? 0.1465 0.1683 0.0654 0.0097  0.0149  0.0447  278  ALA A HB3  
3864 N  N    . VAL A 279 ? 0.1313 0.1583 0.0448 -0.0033 0.0312  0.0367  279  VAL A N    
3865 C  CA   . VAL A 279 ? 0.1386 0.1626 0.0444 -0.0025 0.0227  0.0297  279  VAL A CA   
3866 C  C    . VAL A 279 ? 0.1314 0.1555 0.0710 -0.0035 0.0252  0.0166  279  VAL A C    
3867 O  O    . VAL A 279 ? 0.1592 0.1549 0.0665 -0.0050 0.0112  0.0209  279  VAL A O    
3868 C  CB   . VAL A 279 ? 0.1413 0.1770 0.0523 0.0004  0.0250  0.0280  279  VAL A CB   
3869 C  CG1  . VAL A 279 ? 0.1618 0.1953 0.0562 0.0081  0.0172  0.0360  279  VAL A CG1  
3870 C  CG2  . VAL A 279 ? 0.1563 0.1959 0.0417 0.0023  0.0275  0.0327  279  VAL A CG2  
3871 H  H    . VAL A 279 ? 0.1326 0.1568 0.0480 -0.0043 0.0273  0.0359  279  VAL A H    
3872 H  HA   . VAL A 279 ? 0.1365 0.1629 0.0509 -0.0023 0.0253  0.0286  279  VAL A HA   
3873 H  HB   . VAL A 279 ? 0.1465 0.1788 0.0494 0.0013  0.0237  0.0308  279  VAL A HB   
3874 H  HG11 . VAL A 279 ? 0.1558 0.1918 0.0554 0.0065  0.0194  0.0328  279  VAL A HG11 
3875 H  HG12 . VAL A 279 ? 0.1561 0.1907 0.0558 0.0047  0.0190  0.0340  279  VAL A HG12 
3876 H  HG13 . VAL A 279 ? 0.1572 0.1896 0.0553 0.0057  0.0202  0.0331  279  VAL A HG13 
3877 H  HG21 . VAL A 279 ? 0.1532 0.1900 0.0447 0.0023  0.0274  0.0315  279  VAL A HG21 
3878 H  HG22 . VAL A 279 ? 0.1516 0.1886 0.0419 0.0019  0.0267  0.0318  279  VAL A HG22 
3879 H  HG23 . VAL A 279 ? 0.1517 0.1916 0.0445 0.0022  0.0268  0.0311  279  VAL A HG23 
3880 N  N    . CYS A 280 ? 0.1536 0.1537 0.0790 0.0000  0.0336  0.0247  280  CYS A N    
3881 C  CA   . CYS A 280 ? 0.1492 0.1710 0.1033 0.0004  0.0403  0.0183  280  CYS A CA   
3882 C  C    . CYS A 280 ? 0.1546 0.1632 0.0864 0.0086  0.0425  0.0337  280  CYS A C    
3883 O  O    . CYS A 280 ? 0.1716 0.1467 0.0913 0.0001  0.0559  0.0266  280  CYS A O    
3884 C  CB   . CYS A 280 ? 0.1814 0.1879 0.1266 0.0037  0.0496  0.0183  280  CYS A CB   
3885 S  SG   . CYS A 280 ? 0.2472 0.2455 0.1995 -0.0163 0.0495  -0.0085 280  CYS A SG   
3886 H  H    . CYS A 280 ? 0.1460 0.1571 0.0805 -0.0013 0.0333  0.0220  280  CYS A H    
3887 H  HA   . CYS A 280 ? 0.1561 0.1682 0.1021 0.0021  0.0412  0.0217  280  CYS A HA   
3888 H  HB2  . CYS A 280 ? 0.1785 0.1890 0.1264 0.0002  0.0469  0.0150  280  CYS A HB2  
3889 H  HB3  . CYS A 280 ? 0.1780 0.1889 0.1269 0.0004  0.0474  0.0147  280  CYS A HB3  
3890 N  N    . GLN A 281 ? 0.1511 0.1728 0.0755 0.0070  0.0329  0.0468  281  GLN A N    
3891 C  CA   . GLN A 281 ? 0.1419 0.1913 0.0969 0.0262  0.0255  0.0401  281  GLN A CA   
3892 C  C    . GLN A 281 ? 0.1251 0.1938 0.0534 0.0131  0.0167  0.0409  281  GLN A C    
3893 O  O    . GLN A 281 ? 0.1345 0.2086 0.0824 0.0126  0.0284  0.0595  281  GLN A O    
3894 C  CB   . GLN A 281 ? 0.1923 0.2267 0.1090 0.0169  0.0245  0.0523  281  GLN A CB   
3895 C  CG   . GLN A 281 ? 0.2783 0.2836 0.2004 0.0212  0.0108  0.0724  281  GLN A CG   
3896 C  CD   . GLN A 281 ? 0.4718 0.3953 0.2396 0.0100  -0.0089 0.0787  281  GLN A CD   
3897 O  OE1  . GLN A 281 ? 0.7654 0.4911 0.3126 0.0172  -0.0699 0.0243  281  GLN A OE1  
3898 N  NE2  . GLN A 281 ? 0.5132 0.4352 0.3041 -0.0210 0.0533  0.1317  281  GLN A NE2  
3899 H  H    . GLN A 281 ? 0.1481 0.1741 0.0806 0.0103  0.0359  0.0432  281  GLN A H    
3900 H  HA   . GLN A 281 ? 0.1433 0.1907 0.0827 0.0203  0.0267  0.0424  281  GLN A HA   
3901 H  HB2  . GLN A 281 ? 0.1878 0.2216 0.1162 0.0194  0.0217  0.0525  281  GLN A HB2  
3902 H  HB3  . GLN A 281 ? 0.1866 0.2219 0.1158 0.0207  0.0226  0.0523  281  GLN A HB3  
3903 H  HG2  . GLN A 281 ? 0.2729 0.2751 0.1717 0.0166  0.0104  0.0688  281  GLN A HG2  
3904 H  HG3  . GLN A 281 ? 0.2706 0.2748 0.1700 0.0210  0.0148  0.0691  281  GLN A HG3  
3905 H  HE21 . GLN A 281 ? 0.4905 0.4287 0.2859 -0.0085 0.0325  0.1228  281  GLN A HE21 
3906 H  HE22 . GLN A 281 ? 0.4966 0.4226 0.2905 -0.0098 0.0311  0.1152  281  GLN A HE22 
3907 N  N    . PHE A 282 ? 0.1132 0.1826 0.0601 0.0079  0.0091  0.0339  282  PHE A N    
3908 C  CA   . PHE A 282 ? 0.1166 0.1698 0.0355 -0.0034 0.0086  0.0247  282  PHE A CA   
3909 C  C    . PHE A 282 ? 0.1145 0.1541 0.0396 -0.0051 0.0131  0.0266  282  PHE A C    
3910 O  O    . PHE A 282 ? 0.1206 0.1505 0.0568 -0.0127 0.0146  0.0273  282  PHE A O    
3911 C  CB   . PHE A 282 ? 0.1301 0.1734 0.0584 -0.0016 0.0111  0.0175  282  PHE A CB   
3912 C  CG   . PHE A 282 ? 0.1338 0.1743 0.0411 0.0029  0.0200  0.0265  282  PHE A CG   
3913 C  CD1  . PHE A 282 ? 0.1542 0.1849 0.0741 -0.0086 0.0116  0.0436  282  PHE A CD1  
3914 C  CD2  . PHE A 282 ? 0.1583 0.1832 0.0459 0.0197  0.0169  0.0332  282  PHE A CD2  
3915 C  CE1  . PHE A 282 ? 0.1637 0.1986 0.1173 -0.0085 0.0272  0.0556  282  PHE A CE1  
3916 C  CE2  . PHE A 282 ? 0.1757 0.2022 0.0609 0.0341  0.0167  0.0430  282  PHE A CE2  
3917 C  CZ   . PHE A 282 ? 0.1865 0.1838 0.1005 0.0146  0.0337  0.0623  282  PHE A CZ   
3918 H  H    . PHE A 282 ? 0.1171 0.1812 0.0524 0.0064  0.0108  0.0332  282  PHE A H    
3919 H  HA   . PHE A 282 ? 0.1169 0.1691 0.0433 -0.0026 0.0090  0.0249  282  PHE A HA   
3920 H  HB2  . PHE A 282 ? 0.1278 0.1727 0.0567 -0.0009 0.0110  0.0215  282  PHE A HB2  
3921 H  HB3  . PHE A 282 ? 0.1278 0.1726 0.0503 -0.0008 0.0122  0.0215  282  PHE A HB3  
3922 H  HD1  . PHE A 282 ? 0.1496 0.1840 0.0703 -0.0048 0.0166  0.0415  282  PHE A HD1  
3923 H  HD2  . PHE A 282 ? 0.1540 0.1839 0.0482 0.0180  0.0178  0.0339  282  PHE A HD2  
3924 H  HE1  . PHE A 282 ? 0.1657 0.1927 0.0998 -0.0016 0.0251  0.0545  282  PHE A HE1  
3925 H  HE2  . PHE A 282 ? 0.1708 0.1929 0.0613 0.0261  0.0187  0.0453  282  PHE A HE2  
3926 H  HZ   . PHE A 282 ? 0.1774 0.1859 0.0921 0.0144  0.0277  0.0579  282  PHE A HZ   
3927 N  N    . ALA A 283 ? 0.1345 0.1393 0.0662 -0.0072 0.0090  0.0306  283  ALA A N    
3928 C  CA   . ALA A 283 ? 0.1355 0.1371 0.0673 -0.0062 0.0122  0.0339  283  ALA A CA   
3929 C  C    . ALA A 283 ? 0.1382 0.1360 0.0779 -0.0007 0.0261  0.0218  283  ALA A C    
3930 O  O    . ALA A 283 ? 0.1354 0.1444 0.0639 0.0018  0.0216  0.0193  283  ALA A O    
3931 C  CB   . ALA A 283 ? 0.1600 0.1393 0.0724 -0.0156 0.0126  0.0385  283  ALA A CB   
3932 H  H    . ALA A 283 ? 0.1298 0.1436 0.0594 -0.0059 0.0105  0.0301  283  ALA A H    
3933 H  HA   . ALA A 283 ? 0.1396 0.1365 0.0692 -0.0068 0.0141  0.0324  283  ALA A HA   
3934 H  HB1  . ALA A 283 ? 0.1528 0.1387 0.0723 -0.0128 0.0121  0.0370  283  ALA A HB1  
3935 H  HB2  . ALA A 283 ? 0.1554 0.1389 0.0712 -0.0137 0.0120  0.0370  283  ALA A HB2  
3936 H  HB3  . ALA A 283 ? 0.1528 0.1388 0.0711 -0.0128 0.0124  0.0370  283  ALA A HB3  
3937 N  N    . HIS A 284 ? 0.1344 0.1618 0.0778 0.0102  0.0289  0.0363  284  HIS A N    
3938 C  CA   . HIS A 284 ? 0.1390 0.1839 0.1127 0.0060  0.0233  0.0334  284  HIS A CA   
3939 C  C    . HIS A 284 ? 0.1418 0.1976 0.1065 0.0014  0.0087  0.0366  284  HIS A C    
3940 O  O    . HIS A 284 ? 0.1437 0.2225 0.1057 -0.0115 0.0130  0.0383  284  HIS A O    
3941 C  CB   . HIS A 284 ? 0.1405 0.1891 0.1231 0.0253  0.0259  0.0392  284  HIS A CB   
3942 C  CG   . HIS A 284 ? 0.1697 0.1841 0.1692 0.0174  0.0176  0.0458  284  HIS A CG   
3943 N  ND1  . HIS A 284 ? 0.2319 0.1906 0.2024 0.0117  -0.0032 0.0377  284  HIS A ND1  
3944 C  CD2  . HIS A 284 ? 0.1920 0.2130 0.1912 0.0018  0.0282  0.0403  284  HIS A CD2  
3945 C  CE1  . HIS A 284 ? 0.2509 0.1965 0.2370 0.0181  -0.0228 0.0269  284  HIS A CE1  
3946 N  NE2  . HIS A 284 ? 0.2038 0.2260 0.2475 0.0020  0.0142  0.0059  284  HIS A NE2  
3947 H  H    . HIS A 284 ? 0.1350 0.1573 0.0817 0.0054  0.0286  0.0333  284  HIS A H    
3948 H  HA   . HIS A 284 ? 0.1394 0.1814 0.1098 0.0093  0.0217  0.0355  284  HIS A HA   
3949 H  HB2  . HIS A 284 ? 0.1443 0.1868 0.1244 0.0193  0.0251  0.0392  284  HIS A HB2  
3950 H  HB3  . HIS A 284 ? 0.1409 0.1866 0.1281 0.0202  0.0239  0.0392  284  HIS A HB3  
3951 H  HD1  . HIS A 284 ? 0.2132 0.2132 0.2132 0.0000  0.0000  0.0000  284  HIS A HD1  
3952 H  HD2  . HIS A 284 ? 0.1894 0.2084 0.1911 0.0062  0.0247  0.0364  284  HIS A HD2  
3953 H  HE1  . HIS A 284 ? 0.2364 0.2026 0.2331 0.0130  -0.0084 0.0252  284  HIS A HE1  
3954 H  HE2  . HIS A 284 ? 0.2434 0.2434 0.2434 0.0000  0.0000  0.0000  284  HIS A HE2  
3955 N  N    . GLN A 285 ? 0.1382 0.1934 0.1006 0.0084  0.0088  0.0443  285  GLN A N    
3956 C  CA   . GLN A 285 ? 0.1417 0.2227 0.0782 -0.0046 -0.0074 0.0656  285  GLN A CA   
3957 C  C    . GLN A 285 ? 0.1334 0.2095 0.0163 -0.0094 -0.0096 0.0439  285  GLN A C    
3958 O  O    . GLN A 285 ? 0.1374 0.2453 0.0472 -0.0129 -0.0067 0.0606  285  GLN A O    
3959 C  CB   . GLN A 285 ? 0.2000 0.2615 0.0834 -0.0170 -0.0109 0.0863  285  GLN A CB   
3960 C  CG   . GLN A 285 ? 0.2783 0.3015 0.1399 -0.0145 -0.0469 0.1202  285  GLN A CG   
3961 C  CD   . GLN A 285 ? 0.4677 0.3720 0.1714 -0.0136 -0.0173 0.1357  285  GLN A CD   
3962 O  OE1  . GLN A 285 ? 0.7065 0.4976 0.1081 -0.0228 -0.0175 0.1153  285  GLN A OE1  
3963 N  NE2  . GLN A 285 ? 0.5895 0.3758 0.2793 0.0118  -0.0122 0.1607  285  GLN A NE2  
3964 H  H    . GLN A 285 ? 0.1389 0.2008 0.0967 0.0037  0.0060  0.0475  285  GLN A H    
3965 H  HA   . GLN A 285 ? 0.1457 0.2181 0.0659 -0.0048 -0.0050 0.0596  285  GLN A HA   
3966 H  HB2  . GLN A 285 ? 0.1950 0.2548 0.0892 -0.0135 -0.0161 0.0867  285  GLN A HB2  
3967 H  HB3  . GLN A 285 ? 0.1932 0.2550 0.0885 -0.0120 -0.0151 0.0869  285  GLN A HB3  
3968 H  HG2  . GLN A 285 ? 0.2767 0.2955 0.1235 -0.0159 -0.0313 0.1133  285  GLN A HG2  
3969 H  HG3  . GLN A 285 ? 0.2719 0.2944 0.1239 -0.0135 -0.0292 0.1129  285  GLN A HG3  
3970 H  HE21 . GLN A 285 ? 0.5327 0.3801 0.2450 0.0019  -0.0175 0.1569  285  GLN A HE21 
3971 H  HE22 . GLN A 285 ? 0.5435 0.3771 0.2635 0.0042  -0.0241 0.1488  285  GLN A HE22 
3972 N  N    . HIS A 286 ? 0.1172 0.1823 0.0343 -0.0134 0.0044  0.0229  286  HIS A N    
3973 C  CA   . HIS A 286 ? 0.1214 0.1730 0.0268 -0.0129 0.0093  0.0164  286  HIS A CA   
3974 C  C    . HIS A 286 ? 0.1096 0.1608 0.0188 -0.0107 0.0217  0.0053  286  HIS A C    
3975 O  O    . HIS A 286 ? 0.1112 0.1549 0.0187 -0.0071 0.0169  0.0139  286  HIS A O    
3976 C  CB   . HIS A 286 ? 0.1321 0.1779 0.0140 -0.0195 0.0113  0.0142  286  HIS A CB   
3977 C  CG   . HIS A 286 ? 0.1540 0.1978 0.0178 -0.0270 0.0035  0.0087  286  HIS A CG   
3978 N  ND1  . HIS A 286 ? 0.1555 0.1988 0.0222 -0.0349 -0.0049 0.0152  286  HIS A ND1  
3979 C  CD2  . HIS A 286 ? 0.1596 0.2183 0.0371 -0.0416 0.0012  0.0215  286  HIS A CD2  
3980 C  CE1  . HIS A 286 ? 0.1861 0.2334 0.0329 -0.0347 -0.0266 0.0240  286  HIS A CE1  
3981 N  NE2  . HIS A 286 ? 0.2060 0.2500 0.0294 -0.0429 -0.0086 0.0104  286  HIS A NE2  
3982 H  H    . HIS A 286 ? 0.1201 0.1847 0.0284 -0.0135 0.0021  0.0263  286  HIS A H    
3983 H  HA   . HIS A 286 ? 0.1209 0.1736 0.0240 -0.0136 0.0111  0.0153  286  HIS A HA   
3984 H  HB2  . HIS A 286 ? 0.1334 0.1803 0.0179 -0.0199 0.0092  0.0137  286  HIS A HB2  
3985 H  HB3  . HIS A 286 ? 0.1339 0.1797 0.0176 -0.0194 0.0092  0.0139  286  HIS A HB3  
3986 H  HD1  . HIS A 286 ? 0.1271 0.1271 0.1271 0.0000  0.0000  0.0000  286  HIS A HD1  
3987 H  HD2  . HIS A 286 ? 0.1648 0.2167 0.0307 -0.0404 0.0001  0.0164  286  HIS A HD2  
3988 H  HE1  . HIS A 286 ? 0.1825 0.2274 0.0302 -0.0360 -0.0169 0.0188  286  HIS A HE1  
3989 H  HE2  . HIS A 286 ? 0.1746 0.1746 0.1746 0.0000  0.0000  0.0000  286  HIS A HE2  
3990 N  N    . LEU A 287 ? 0.1046 0.1588 0.0097 -0.0051 0.0162  0.0099  287  LEU A N    
3991 C  CA   . LEU A 287 ? 0.1137 0.1445 0.0096 -0.0050 0.0172  0.0078  287  LEU A CA   
3992 C  C    . LEU A 287 ? 0.1156 0.1477 0.0158 -0.0063 0.0210  0.0148  287  LEU A C    
3993 O  O    . LEU A 287 ? 0.1333 0.1481 0.0278 -0.0064 0.0382  0.0091  287  LEU A O    
3994 C  CB   . LEU A 287 ? 0.1133 0.1535 0.0108 -0.0051 0.0129  0.0108  287  LEU A CB   
3995 C  CG   . LEU A 287 ? 0.1224 0.1534 0.0386 -0.0051 0.0201  0.0135  287  LEU A CG   
3996 C  CD1  . LEU A 287 ? 0.1351 0.1564 0.0525 -0.0101 0.0141  0.0177  287  LEU A CD1  
3997 C  CD2  . LEU A 287 ? 0.1321 0.1531 0.0426 0.0009  0.0228  0.0094  287  LEU A CD2  
3998 H  H    . LEU A 287 ? 0.1081 0.1559 0.0108 -0.0064 0.0178  0.0086  287  LEU A H    
3999 H  HA   . LEU A 287 ? 0.1124 0.1481 0.0100 -0.0051 0.0173  0.0103  287  LEU A HA   
4000 H  HB2  . LEU A 287 ? 0.1154 0.1520 0.0145 -0.0050 0.0154  0.0109  287  LEU A HB2  
4001 H  HB3  . LEU A 287 ? 0.1158 0.1517 0.0108 -0.0047 0.0148  0.0116  287  LEU A HB3  
4002 H  HG   . LEU A 287 ? 0.1238 0.1541 0.0376 -0.0049 0.0185  0.0121  287  LEU A HG   
4003 H  HD11 . LEU A 287 ? 0.1336 0.1557 0.0500 -0.0090 0.0140  0.0166  287  LEU A HD11 
4004 H  HD12 . LEU A 287 ? 0.1317 0.1558 0.0498 -0.0087 0.0160  0.0158  287  LEU A HD12 
4005 H  HD13 . LEU A 287 ? 0.1314 0.1562 0.0483 -0.0087 0.0156  0.0164  287  LEU A HD13 
4006 H  HD21 . LEU A 287 ? 0.1298 0.1535 0.0416 -0.0003 0.0224  0.0109  287  LEU A HD21 
4007 H  HD22 . LEU A 287 ? 0.1293 0.1534 0.0429 -0.0007 0.0221  0.0103  287  LEU A HD22 
4008 H  HD23 . LEU A 287 ? 0.1297 0.1533 0.0418 -0.0008 0.0219  0.0107  287  LEU A HD23 
4009 N  N    . GLU A 288 ? 0.1368 0.1462 0.0412 -0.0001 0.0375  0.0107  288  GLU A N    
4010 C  CA   . GLU A 288 ? 0.1448 0.1625 0.0138 -0.0035 0.0301  -0.0004 288  GLU A CA   
4011 C  C    . GLU A 288 ? 0.1351 0.1531 0.0227 -0.0017 0.0341  0.0017  288  GLU A C    
4012 O  O    . GLU A 288 ? 0.1645 0.1706 0.0425 -0.0041 0.0461  -0.0300 288  GLU A O    
4013 C  CB   . GLU A 288 ? 0.1486 0.1662 0.0383 -0.0029 0.0283  -0.0171 288  GLU A CB   
4014 C  CG   . GLU A 288 ? 0.1560 0.1804 0.0709 -0.0044 0.0303  -0.0126 288  GLU A CG   
4015 C  CD   . GLU A 288 ? 0.1759 0.1843 0.1082 0.0038  0.0300  -0.0220 288  GLU A CD   
4016 O  OE1  . GLU A 288 ? 0.2095 0.1738 0.1394 0.0012  0.0248  -0.0041 288  GLU A OE1  
4017 O  OE2  . GLU A 288 ? 0.2207 0.2068 0.1515 -0.0165 0.0222  -0.0395 288  GLU A OE2  
4018 H  H    . GLU A 288 ? 0.1324 0.1514 0.0292 -0.0019 0.0305  0.0078  288  GLU A H    
4019 H  HA   . GLU A 288 ? 0.1414 0.1578 0.0173 -0.0019 0.0300  0.0014  288  GLU A HA   
4020 H  HB2  . GLU A 288 ? 0.1490 0.1679 0.0401 -0.0033 0.0294  -0.0125 288  GLU A HB2  
4021 H  HB3  . GLU A 288 ? 0.1484 0.1677 0.0382 -0.0031 0.0297  -0.0123 288  GLU A HB3  
4022 H  HG2  . GLU A 288 ? 0.1576 0.1770 0.0694 -0.0024 0.0297  -0.0158 288  GLU A HG2  
4023 H  HG3  . GLU A 288 ? 0.1580 0.1768 0.0685 -0.0027 0.0293  -0.0151 288  GLU A HG3  
4024 N  N    . ALA A 289 ? 0.1236 0.1451 0.0292 0.0012  0.0365  0.0008  289  ALA A N    
4025 C  CA   . ALA A 289 ? 0.1173 0.1458 0.0194 0.0101  0.0240  0.0049  289  ALA A CA   
4026 C  C    . ALA A 289 ? 0.1136 0.1445 0.0128 0.0068  0.0264  0.0029  289  ALA A C    
4027 O  O    . ALA A 289 ? 0.1168 0.1544 0.0249 -0.0001 0.0334  -0.0006 289  ALA A O    
4028 C  CB   . ALA A 289 ? 0.1123 0.1571 0.0206 0.0159  0.0161  0.0101  289  ALA A CB   
4029 H  H    . ALA A 289 ? 0.1231 0.1472 0.0245 0.0028  0.0336  0.0021  289  ALA A H    
4030 H  HA   . ALA A 289 ? 0.1168 0.1474 0.0183 0.0088  0.0259  0.0045  289  ALA A HA   
4031 H  HB1  . ALA A 289 ? 0.1140 0.1537 0.0202 0.0140  0.0187  0.0084  289  ALA A HB1  
4032 H  HB2  . ALA A 289 ? 0.1139 0.1542 0.0204 0.0140  0.0185  0.0082  289  ALA A HB2  
4033 H  HB3  . ALA A 289 ? 0.1140 0.1538 0.0203 0.0139  0.0185  0.0085  289  ALA A HB3  
4034 N  N    . SER A 290 ? 0.1156 0.1485 0.0117 -0.0003 0.0184  0.0180  290  SER A N    
4035 C  CA   . SER A 290 ? 0.1177 0.1451 0.0098 0.0012  0.0160  0.0129  290  SER A CA   
4036 C  C    . SER A 290 ? 0.1148 0.1420 0.0079 0.0025  0.0127  0.0048  290  SER A C    
4037 O  O    . SER A 290 ? 0.1224 0.1414 0.0114 0.0034  0.0207  0.0042  290  SER A O    
4038 C  CB   . SER A 290 ? 0.1144 0.1522 0.0111 -0.0028 0.0220  0.0048  290  SER A CB   
4039 O  OG   . SER A 290 ? 0.1295 0.1536 0.0230 0.0018  0.0262  0.0092  290  SER A OG   
4040 H  H    . SER A 290 ? 0.1153 0.1466 0.0112 0.0014  0.0202  0.0129  290  SER A H    
4041 H  HA   . SER A 290 ? 0.1164 0.1464 0.0098 0.0008  0.0171  0.0109  290  SER A HA   
4042 H  HB2  . SER A 290 ? 0.1178 0.1506 0.0110 -0.0009 0.0220  0.0074  290  SER A HB2  
4043 H  HB3  . SER A 290 ? 0.1175 0.1501 0.0110 -0.0015 0.0213  0.0073  290  SER A HB3  
4044 H  HG   . SER A 290 ? 0.1062 0.1062 0.1062 0.0000  0.0000  0.0000  290  SER A HG   
4045 N  N    . ASP A 291 ? 0.1187 0.1368 0.0087 0.0117  0.0165  0.0019  291  ASP A N    
4046 C  CA   . ASP A 291 ? 0.1136 0.1398 0.0083 0.0088  0.0140  0.0065  291  ASP A CA   
4047 C  C    . ASP A 291 ? 0.1172 0.1412 0.0077 0.0113  0.0121  0.0048  291  ASP A C    
4048 O  O    . ASP A 291 ? 0.1212 0.1470 0.0093 0.0100  0.0166  0.0107  291  ASP A O    
4049 C  CB   . ASP A 291 ? 0.1076 0.1368 0.0072 0.0119  0.0094  0.0026  291  ASP A CB   
4050 C  CG   . ASP A 291 ? 0.1084 0.1311 0.0072 0.0063  0.0005  0.0109  291  ASP A CG   
4051 O  OD1  . ASP A 291 ? 0.1052 0.1429 0.0259 0.0007  -0.0023 -0.0037 291  ASP A OD1  
4052 O  OD2  . ASP A 291 ? 0.1050 0.1312 0.0131 0.0037  0.0060  0.0117  291  ASP A OD2  
4053 H  H    . ASP A 291 ? 0.1165 0.1383 0.0083 0.0086  0.0146  0.0033  291  ASP A H    
4054 H  HA   . ASP A 291 ? 0.1141 0.1397 0.0080 0.0101  0.0133  0.0049  291  ASP A HA   
4055 H  HB2  . ASP A 291 ? 0.1093 0.1367 0.0074 0.0101  0.0097  0.0053  291  ASP A HB2  
4056 H  HB3  . ASP A 291 ? 0.1092 0.1362 0.0072 0.0099  0.0088  0.0053  291  ASP A HB3  
4057 N  N    . LYS A 292 ? 0.1165 0.1370 0.0068 0.0079  0.0053  0.0064  292  LYS A N    
4058 C  CA   . LYS A 292 ? 0.1171 0.1351 0.0066 0.0091  0.0029  0.0058  292  LYS A CA   
4059 C  C    . LYS A 292 ? 0.1202 0.1343 0.0073 0.0071  0.0088  0.0067  292  LYS A C    
4060 O  O    . LYS A 292 ? 0.1258 0.1411 0.0090 0.0044  0.0175  0.0048  292  LYS A O    
4061 C  CB   . LYS A 292 ? 0.1283 0.1422 0.0064 0.0064  0.0019  0.0033  292  LYS A CB   
4062 C  CG   . LYS A 292 ? 0.1235 0.1375 0.0063 0.0058  0.0025  0.0000  292  LYS A CG   
4063 C  CD   . LYS A 292 ? 0.1209 0.1361 0.0323 0.0015  0.0012  -0.0042 292  LYS A CD   
4064 C  CE   . LYS A 292 ? 0.1211 0.1412 0.0347 0.0049  0.0024  0.0022  292  LYS A CE   
4065 N  NZ   . LYS A 292 ? 0.1132 0.1361 0.0234 0.0034  0.0018  0.0092  292  LYS A NZ   
4066 H  H    . LYS A 292 ? 0.1165 0.1372 0.0070 0.0087  0.0072  0.0066  292  LYS A H    
4067 H  HA   . LYS A 292 ? 0.1200 0.1368 0.0066 0.0083  0.0033  0.0054  292  LYS A HA   
4068 H  HB2  . LYS A 292 ? 0.1246 0.1394 0.0064 0.0068  0.0027  0.0034  292  LYS A HB2  
4069 H  HB3  . LYS A 292 ? 0.1253 0.1395 0.0064 0.0067  0.0029  0.0032  292  LYS A HB3  
4070 H  HG2  . LYS A 292 ? 0.1238 0.1382 0.0063 0.0049  0.0024  0.0006  292  LYS A HG2  
4071 H  HG3  . LYS A 292 ? 0.1234 0.1382 0.0065 0.0051  0.0021  0.0002  292  LYS A HG3  
4072 H  HD2  . LYS A 292 ? 0.1217 0.1375 0.0251 0.0033  0.0018  -0.0018 292  LYS A HD2  
4073 H  HD3  . LYS A 292 ? 0.1217 0.1378 0.0252 0.0035  0.0017  -0.0019 292  LYS A HD3  
4074 H  HE2  . LYS A 292 ? 0.1194 0.1398 0.0314 0.0042  0.0017  0.0019  292  LYS A HE2  
4075 H  HE3  . LYS A 292 ? 0.1193 0.1395 0.0314 0.0036  0.0018  0.0026  292  LYS A HE3  
4076 H  HZ1  . LYS A 292 ? 0.1154 0.1372 0.0255 0.0036  0.0019  0.0072  292  LYS A HZ1  
4077 H  HZ2  . LYS A 292 ? 0.1151 0.1363 0.0254 0.0031  0.0023  0.0078  292  LYS A HZ2  
4078 H  HZ3  . LYS A 292 ? 0.1153 0.1372 0.0242 0.0035  0.0016  0.0070  292  LYS A HZ3  
4079 N  N    . PRO A 293 ? 0.1148 0.1288 0.0081 0.0110  0.0099  0.0113  293  PRO A N    
4080 C  CA   . PRO A 293 ? 0.1180 0.1291 0.0066 0.0117  0.0057  0.0021  293  PRO A CA   
4081 C  C    . PRO A 293 ? 0.1204 0.1239 0.0065 0.0066  0.0037  0.0042  293  PRO A C    
4082 O  O    . PRO A 293 ? 0.1128 0.1192 0.0174 0.0111  0.0006  -0.0009 293  PRO A O    
4083 C  CB   . PRO A 293 ? 0.1300 0.1423 0.0069 0.0106  0.0045  0.0081  293  PRO A CB   
4084 C  CG   . PRO A 293 ? 0.1407 0.1595 0.0124 0.0063  0.0080  0.0083  293  PRO A CG   
4085 C  CD   . PRO A 293 ? 0.1272 0.1451 0.0075 0.0097  0.0099  0.0079  293  PRO A CD   
4086 H  HA   . PRO A 293 ? 0.1198 0.1297 0.0068 0.0103  0.0059  0.0051  293  PRO A HA   
4087 H  HB2  . PRO A 293 ? 0.1289 0.1421 0.0068 0.0098  0.0055  0.0068  293  PRO A HB2  
4088 H  HB3  . PRO A 293 ? 0.1289 0.1421 0.0069 0.0101  0.0056  0.0069  293  PRO A HB3  
4089 H  HG2  . PRO A 293 ? 0.1352 0.1547 0.0074 0.0068  0.0087  0.0066  293  PRO A HG2  
4090 H  HG3  . PRO A 293 ? 0.1351 0.1545 0.0073 0.0070  0.0074  0.0098  293  PRO A HG3  
4091 H  HD2  . PRO A 293 ? 0.1263 0.1435 0.0076 0.0094  0.0098  0.0089  293  PRO A HD2  
4092 H  HD3  . PRO A 293 ? 0.1257 0.1433 0.0076 0.0095  0.0099  0.0088  293  PRO A HD3  
4093 N  N    . VAL A 294 ? 0.1132 0.1279 0.0099 -0.0045 0.0106  -0.0027 294  VAL A N    
4094 C  CA   . VAL A 294 ? 0.1135 0.1395 0.0101 0.0035  0.0120  0.0035  294  VAL A CA   
4095 C  C    . VAL A 294 ? 0.1244 0.1356 0.0193 -0.0036 0.0107  0.0041  294  VAL A C    
4096 O  O    . VAL A 294 ? 0.1385 0.1453 0.0751 -0.0042 0.0029  0.0091  294  VAL A O    
4097 C  CB   . VAL A 294 ? 0.1248 0.1540 0.0262 0.0031  0.0007  0.0127  294  VAL A CB   
4098 C  CG1  . VAL A 294 ? 0.1321 0.1398 0.0094 -0.0008 -0.0047 0.0187  294  VAL A CG1  
4099 C  CG2  . VAL A 294 ? 0.1314 0.1690 0.0364 -0.0014 0.0024  0.0160  294  VAL A CG2  
4100 H  H    . VAL A 294 ? 0.1150 0.1277 0.0071 -0.0001 0.0091  -0.0001 294  VAL A H    
4101 H  HA   . VAL A 294 ? 0.1170 0.1384 0.0137 0.0004  0.0098  0.0037  294  VAL A HA   
4102 H  HB   . VAL A 294 ? 0.1249 0.1514 0.0209 0.0017  0.0023  0.0127  294  VAL A HB   
4103 H  HG11 . VAL A 294 ? 0.1299 0.1421 0.0128 0.0005  -0.0035 0.0173  294  VAL A HG11 
4104 H  HG12 . VAL A 294 ? 0.1300 0.1431 0.0128 0.0004  -0.0035 0.0173  294  VAL A HG12 
4105 H  HG13 . VAL A 294 ? 0.1292 0.1429 0.0108 0.0009  -0.0048 0.0183  294  VAL A HG13 
4106 H  HG21 . VAL A 294 ? 0.1296 0.1647 0.0352 -0.0004 0.0024  0.0141  294  VAL A HG21 
4107 H  HG22 . VAL A 294 ? 0.1299 0.1643 0.0350 -0.0005 0.0010  0.0155  294  VAL A HG22 
4108 H  HG23 . VAL A 294 ? 0.1291 0.1655 0.0334 0.0001  0.0019  0.0150  294  VAL A HG23 
4109 N  N    . ILE A 295 ? 0.1222 0.1372 0.0104 -0.0061 0.0215  -0.0047 295  ILE A N    
4110 C  CA   . ILE A 295 ? 0.1205 0.1491 0.0072 -0.0062 0.0094  -0.0045 295  ILE A CA   
4111 C  C    . ILE A 295 ? 0.1252 0.1425 0.0069 -0.0041 0.0079  -0.0044 295  ILE A C    
4112 O  O    . ILE A 295 ? 0.1275 0.1386 0.0079 -0.0143 0.0137  -0.0001 295  ILE A O    
4113 C  CB   . ILE A 295 ? 0.1185 0.1684 0.0066 -0.0130 -0.0012 0.0068  295  ILE A CB   
4114 C  CG1  . ILE A 295 ? 0.1401 0.1791 0.0169 -0.0040 -0.0019 0.0141  295  ILE A CG1  
4115 C  CG2  . ILE A 295 ? 0.1321 0.1904 0.0069 -0.0123 -0.0075 0.0065  295  ILE A CG2  
4116 C  CD1  . ILE A 295 ? 0.1466 0.1789 0.0278 -0.0028 -0.0021 0.0125  295  ILE A CD1  
4117 H  H    . ILE A 295 ? 0.1222 0.1389 0.0087 -0.0057 0.0165  -0.0025 295  ILE A H    
4118 H  HA   . ILE A 295 ? 0.1214 0.1483 0.0071 -0.0070 0.0097  -0.0027 295  ILE A HA   
4119 H  HB   . ILE A 295 ? 0.1214 0.1692 0.0065 -0.0110 0.0003  0.0058  295  ILE A HB   
4120 H  HG12 . ILE A 295 ? 0.1372 0.1759 0.0153 -0.0050 -0.0022 0.0116  295  ILE A HG12 
4121 H  HG13 . ILE A 295 ? 0.1354 0.1755 0.0171 -0.0059 -0.0020 0.0118  295  ILE A HG13 
4122 H  HG21 . ILE A 295 ? 0.1300 0.1837 0.0068 -0.0115 -0.0058 0.0064  295  ILE A HG21 
4123 H  HG22 . ILE A 295 ? 0.1282 0.1850 0.0068 -0.0122 -0.0054 0.0070  295  ILE A HG22 
4124 H  HG23 . ILE A 295 ? 0.1288 0.1837 0.0067 -0.0124 -0.0052 0.0066  295  ILE A HG23 
4125 H  HD11 . ILE A 295 ? 0.1446 0.1792 0.0273 -0.0031 -0.0028 0.0126  295  ILE A HD11 
4126 H  HD12 . ILE A 295 ? 0.1453 0.1792 0.0251 -0.0028 -0.0023 0.0129  295  ILE A HD12 
4127 H  HD13 . ILE A 295 ? 0.1447 0.1791 0.0251 -0.0031 -0.0022 0.0129  295  ILE A HD13 
4128 N  N    . VAL A 296 ? 0.1198 0.1343 0.0066 -0.0057 0.0052  -0.0038 296  VAL A N    
4129 C  CA   . VAL A 296 ? 0.1178 0.1300 0.0069 -0.0057 0.0077  0.0030  296  VAL A CA   
4130 C  C    . VAL A 296 ? 0.1147 0.1352 0.0077 -0.0024 0.0119  -0.0034 296  VAL A C    
4131 O  O    . VAL A 296 ? 0.1190 0.1524 0.0073 -0.0035 0.0106  0.0015  296  VAL A O    
4132 C  CB   . VAL A 296 ? 0.1246 0.1282 0.0068 -0.0007 0.0031  0.0073  296  VAL A CB   
4133 C  CG1  . VAL A 296 ? 0.1279 0.1409 0.0073 -0.0006 0.0059  0.0100  296  VAL A CG1  
4134 C  CG2  . VAL A 296 ? 0.1269 0.1333 0.0145 -0.0023 -0.0008 0.0156  296  VAL A CG2  
4135 H  H    . VAL A 296 ? 0.1204 0.1337 0.0067 -0.0058 0.0061  -0.0033 296  VAL A H    
4136 H  HA   . VAL A 296 ? 0.1187 0.1316 0.0068 -0.0043 0.0073  0.0011  296  VAL A HA   
4137 H  HB   . VAL A 296 ? 0.1237 0.1314 0.0069 -0.0022 0.0037  0.0080  296  VAL A HB   
4138 H  HG11 . VAL A 296 ? 0.1274 0.1375 0.0072 -0.0001 0.0056  0.0095  296  VAL A HG11 
4139 H  HG12 . VAL A 296 ? 0.1273 0.1373 0.0072 -0.0008 0.0053  0.0091  296  VAL A HG12 
4140 H  HG13 . VAL A 296 ? 0.1271 0.1380 0.0071 -0.0005 0.0052  0.0089  296  VAL A HG13 
4141 H  HG21 . VAL A 296 ? 0.1263 0.1319 0.0103 -0.0019 0.0001  0.0134  296  VAL A HG21 
4142 H  HG22 . VAL A 296 ? 0.1268 0.1320 0.0138 -0.0022 -0.0013 0.0143  296  VAL A HG22 
4143 H  HG23 . VAL A 296 ? 0.1267 0.1320 0.0102 -0.0016 0.0003  0.0137  296  VAL A HG23 
4144 N  N    . GLY A 297 ? 0.1000 0.1292 0.0064 -0.0059 0.0033  -0.0022 297  GLY A N    
4145 C  CA   . GLY A 297 ? 0.1121 0.1262 0.0063 -0.0033 -0.0017 0.0018  297  GLY A CA   
4146 C  C    . GLY A 297 ? 0.1134 0.1241 0.0081 -0.0060 0.0003  0.0144  297  GLY A C    
4147 O  O    . GLY A 297 ? 0.1079 0.1292 0.0073 -0.0046 0.0013  0.0111  297  GLY A O    
4148 H  H    . GLY A 297 ? 0.1038 0.1294 0.0064 -0.0054 0.0035  -0.0018 297  GLY A H    
4149 H  HA2  . GLY A 297 ? 0.1091 0.1264 0.0064 -0.0048 -0.0006 0.0030  297  GLY A HA2  
4150 H  HA3  . GLY A 297 ? 0.1094 0.1269 0.0064 -0.0043 -0.0002 0.0036  297  GLY A HA3  
4151 N  N    . GLU A 298 ? 0.1107 0.1309 0.0093 -0.0038 0.0029  0.0189  298  GLU A N    
4152 C  CA   . GLU A 298 ? 0.1108 0.1281 0.0092 -0.0067 0.0036  0.0181  298  GLU A CA   
4153 C  C    . GLU A 298 ? 0.1195 0.1415 0.0083 -0.0001 -0.0027 0.0160  298  GLU A C    
4154 O  O    . GLU A 298 ? 0.1045 0.1483 0.0235 -0.0105 0.0019  0.0143  298  GLU A O    
4155 C  CB   . GLU A 298 ? 0.1194 0.1449 0.0075 -0.0008 0.0041  0.0119  298  GLU A CB   
4156 C  CG   . GLU A 298 ? 0.1194 0.1502 0.0071 0.0038  0.0080  0.0061  298  GLU A CG   
4157 C  CD   . GLU A 298 ? 0.1321 0.1718 0.0064 0.0052  -0.0007 0.0039  298  GLU A CD   
4158 O  OE1  . GLU A 298 ? 0.1842 0.1931 0.0101 0.0361  0.0115  0.0257  298  GLU A OE1  
4159 O  OE2  . GLU A 298 ? 0.1238 0.1678 0.0065 -0.0044 -0.0027 -0.0044 298  GLU A OE2  
4160 H  H    . GLU A 298 ? 0.1109 0.1286 0.0088 -0.0048 0.0023  0.0173  298  GLU A H    
4161 H  HA   . GLU A 298 ? 0.1139 0.1337 0.0086 -0.0039 0.0023  0.0167  298  GLU A HA   
4162 H  HB2  . GLU A 298 ? 0.1174 0.1417 0.0076 -0.0011 0.0047  0.0123  298  GLU A HB2  
4163 H  HB3  . GLU A 298 ? 0.1178 0.1419 0.0076 -0.0007 0.0044  0.0123  298  GLU A HB3  
4164 H  HG2  . GLU A 298 ? 0.1233 0.1532 0.0069 0.0030  0.0061  0.0071  298  GLU A HG2  
4165 H  HG3  . GLU A 298 ? 0.1216 0.1530 0.0069 0.0027  0.0055  0.0072  298  GLU A HG3  
4166 N  N    . TRP A 299 ? 0.1171 0.1358 0.0076 -0.0039 -0.0036 0.0123  299  TRP A N    
4167 C  CA   . TRP A 299 ? 0.1238 0.1341 0.0085 0.0005  -0.0061 0.0154  299  TRP A CA   
4168 C  C    . TRP A 299 ? 0.1168 0.1263 0.0064 -0.0041 -0.0002 0.0040  299  TRP A C    
4169 O  O    . TRP A 299 ? 0.1206 0.1347 0.0101 -0.0004 -0.0004 0.0220  299  TRP A O    
4170 C  CB   . TRP A 299 ? 0.1274 0.1343 0.0083 -0.0010 -0.0037 0.0156  299  TRP A CB   
4171 C  CG   . TRP A 299 ? 0.1247 0.1325 0.0067 0.0004  0.0009  0.0073  299  TRP A CG   
4172 C  CD1  . TRP A 299 ? 0.1342 0.1246 0.0070 0.0025  0.0057  0.0077  299  TRP A CD1  
4173 C  CD2  . TRP A 299 ? 0.1265 0.1297 0.0072 -0.0043 0.0037  0.0097  299  TRP A CD2  
4174 N  NE1  . TRP A 299 ? 0.1362 0.1331 0.0072 -0.0018 0.0105  0.0025  299  TRP A NE1  
4175 C  CE2  . TRP A 299 ? 0.1385 0.1313 0.0064 0.0009  0.0023  0.0026  299  TRP A CE2  
4176 C  CE3  . TRP A 299 ? 0.1260 0.1295 0.0094 0.0042  0.0052  0.0190  299  TRP A CE3  
4177 C  CZ2  . TRP A 299 ? 0.1489 0.1329 0.0099 -0.0043 0.0049  0.0094  299  TRP A CZ2  
4178 C  CZ3  . TRP A 299 ? 0.1383 0.1383 0.0129 0.0004  0.0098  0.0161  299  TRP A CZ3  
4179 C  CH2  . TRP A 299 ? 0.1391 0.1317 0.0131 -0.0012 0.0075  0.0074  299  TRP A CH2  
4180 H  H    . TRP A 299 ? 0.1187 0.1365 0.0079 -0.0021 -0.0038 0.0139  299  TRP A H    
4181 H  HA   . TRP A 299 ? 0.1220 0.1330 0.0078 -0.0013 -0.0033 0.0132  299  TRP A HA   
4182 H  HB2  . TRP A 299 ? 0.1260 0.1328 0.0080 -0.0003 -0.0031 0.0143  299  TRP A HB2  
4183 H  HB3  . TRP A 299 ? 0.1262 0.1337 0.0079 -0.0002 -0.0032 0.0138  299  TRP A HB3  
4184 H  HD1  . TRP A 299 ? 0.1322 0.1283 0.0069 0.0008  0.0056  0.0066  299  TRP A HD1  
4185 H  HE1  . TRP A 299 ? 0.1359 0.1308 0.0068 -0.0001 0.0073  0.0039  299  TRP A HE1  
4186 H  HE3  . TRP A 299 ? 0.1285 0.1312 0.0086 0.0014  0.0060  0.0160  299  TRP A HE3  
4187 H  HZ2  . TRP A 299 ? 0.1436 0.1321 0.0096 -0.0023 0.0055  0.0073  299  TRP A HZ2  
4188 H  HZ3  . TRP A 299 ? 0.1354 0.1347 0.0110 0.0011  0.0079  0.0145  299  TRP A HZ3  
4189 H  HH2  . TRP A 299 ? 0.1406 0.1327 0.0119 -0.0019 0.0070  0.0095  299  TRP A HH2  
4190 N  N    . THR A 300 ? 0.1119 0.1351 0.0076 0.0030  0.0001  0.0131  300  THR A N    
4191 C  CA   . THR A 300 ? 0.1100 0.1347 0.0065 -0.0017 -0.0049 -0.0005 300  THR A CA   
4192 C  C    . THR A 300 ? 0.1093 0.1342 0.0068 0.0025  0.0068  0.0023  300  THR A C    
4193 O  O    . THR A 300 ? 0.1189 0.1465 0.0092 0.0055  0.0151  0.0116  300  THR A O    
4194 C  CB   . THR A 300 ? 0.1089 0.1353 0.0066 -0.0023 -0.0012 0.0066  300  THR A CB   
4195 O  OG1  . THR A 300 ? 0.1075 0.1406 0.0089 -0.0044 0.0007  -0.0030 300  THR A OG1  
4196 C  CG2  . THR A 300 ? 0.1067 0.1276 0.0072 -0.0070 -0.0039 0.0098  300  THR A CG2  
4197 H  H    . THR A 300 ? 0.1118 0.1322 0.0068 0.0009  -0.0016 0.0081  300  THR A H    
4198 H  HA   . THR A 300 ? 0.1098 0.1347 0.0064 -0.0001 -0.0015 0.0040  300  THR A HA   
4199 H  HB   . THR A 300 ? 0.1085 0.1345 0.0065 -0.0035 -0.0021 0.0044  300  THR A HB   
4200 H  HG1  . THR A 300 ? 0.0895 0.0895 0.0895 0.0000  0.0000  0.0000  300  THR A HG1  
4201 H  HG21 . THR A 300 ? 0.1073 0.1299 0.0070 -0.0059 -0.0033 0.0090  300  THR A HG21 
4202 H  HG22 . THR A 300 ? 0.1072 0.1288 0.0070 -0.0061 -0.0030 0.0091  300  THR A HG22 
4203 H  HG23 . THR A 300 ? 0.1069 0.1297 0.0070 -0.0058 -0.0032 0.0089  300  THR A HG23 
4204 N  N    . GLY A 301 ? 0.1116 0.1318 0.0077 0.0012  -0.0040 0.0126  301  GLY A N    
4205 C  CA   . GLY A 301 ? 0.1140 0.1335 0.0078 -0.0079 -0.0015 0.0136  301  GLY A CA   
4206 C  C    . GLY A 301 ? 0.1087 0.1319 0.0077 -0.0090 0.0030  0.0126  301  GLY A C    
4207 O  O    . GLY A 301 ? 0.1390 0.1313 0.0098 -0.0053 0.0173  0.0116  301  GLY A O    
4208 H  H    . GLY A 301 ? 0.1106 0.1319 0.0071 0.0003  -0.0008 0.0103  301  GLY A H    
4209 H  HA2  . GLY A 301 ? 0.1129 0.1334 0.0077 -0.0064 -0.0012 0.0133  301  GLY A HA2  
4210 H  HA3  . GLY A 301 ? 0.1125 0.1329 0.0077 -0.0060 -0.0010 0.0132  301  GLY A HA3  
4211 N  N    . ALA A 302 ? 0.1195 0.1309 0.0071 -0.0088 0.0026  0.0095  302  ALA A N    
4212 C  CA   . ALA A 302 ? 0.1154 0.1350 0.0072 -0.0089 0.0068  0.0071  302  ALA A CA   
4213 C  C    . ALA A 302 ? 0.1180 0.1360 0.0085 -0.0056 0.0073  0.0145  302  ALA A C    
4214 O  O    . ALA A 302 ? 0.1255 0.1597 0.0091 -0.0180 0.0104  0.0151  302  ALA A O    
4215 C  CB   . ALA A 302 ? 0.1258 0.1305 0.0073 -0.0099 0.0044  0.0099  302  ALA A CB   
4216 H  H    . ALA A 302 ? 0.1159 0.1315 0.0072 -0.0086 0.0034  0.0100  302  ALA A H    
4217 H  HA   . ALA A 302 ? 0.1184 0.1334 0.0074 -0.0086 0.0057  0.0095  302  ALA A HA   
4218 H  HB1  . ALA A 302 ? 0.1228 0.1322 0.0072 -0.0096 0.0052  0.0090  302  ALA A HB1  
4219 H  HB2  . ALA A 302 ? 0.1233 0.1320 0.0073 -0.0097 0.0054  0.0090  302  ALA A HB2  
4220 H  HB3  . ALA A 302 ? 0.1227 0.1320 0.0072 -0.0096 0.0052  0.0090  302  ALA A HB3  
4221 N  N    . VAL A 303 ? 0.1181 0.1514 0.0077 -0.0046 0.0041  0.0131  303  VAL A N    
4222 C  CA   . VAL A 303 ? 0.1235 0.1532 0.0124 0.0095  0.0044  0.0190  303  VAL A CA   
4223 C  C    . VAL A 303 ? 0.1339 0.1471 0.0104 -0.0001 0.0045  0.0236  303  VAL A C    
4224 O  O    . VAL A 303 ? 0.1454 0.1654 0.0184 0.0071  -0.0043 0.0126  303  VAL A O    
4225 C  CB   . VAL A 303 ? 0.1621 0.1698 0.0193 0.0240  -0.0062 -0.0014 303  VAL A CB   
4226 C  CG1  . VAL A 303 ? 0.1764 0.1805 0.0160 0.0240  -0.0081 -0.0024 303  VAL A CG1  
4227 C  CG2  . VAL A 303 ? 0.1776 0.1615 0.0282 0.0205  -0.0141 0.0025  303  VAL A CG2  
4228 H  H    . VAL A 303 ? 0.1186 0.1474 0.0081 -0.0022 0.0052  0.0145  303  VAL A H    
4229 H  HA   . VAL A 303 ? 0.1284 0.1535 0.0081 0.0062  0.0035  0.0162  303  VAL A HA   
4230 H  HB   . VAL A 303 ? 0.1588 0.1662 0.0192 0.0199  -0.0048 0.0039  303  VAL A HB   
4231 H  HG11 . VAL A 303 ? 0.1723 0.1773 0.0174 0.0238  -0.0070 -0.0021 303  VAL A HG11 
4232 H  HG12 . VAL A 303 ? 0.1730 0.1777 0.0173 0.0244  -0.0078 -0.0023 303  VAL A HG12 
4233 H  HG13 . VAL A 303 ? 0.1723 0.1785 0.0172 0.0238  -0.0074 -0.0023 303  VAL A HG13 
4234 H  HG21 . VAL A 303 ? 0.1729 0.1632 0.0262 0.0216  -0.0116 0.0017  303  VAL A HG21 
4235 H  HG22 . VAL A 303 ? 0.1728 0.1640 0.0283 0.0212  -0.0119 0.0026  303  VAL A HG22 
4236 H  HG23 . VAL A 303 ? 0.1730 0.1637 0.0262 0.0210  -0.0108 0.0018  303  VAL A HG23 
4237 N  N    . THR A 304 ? 0.1320 0.1430 0.0074 -0.0078 0.0066  0.0096  304  THR A N    
4238 C  CA   . THR A 304 ? 0.1122 0.1430 0.0071 -0.0077 0.0003  0.0105  304  THR A CA   
4239 C  C    . THR A 304 ? 0.1140 0.1375 0.0086 -0.0045 0.0103  0.0128  304  THR A C    
4240 O  O    . THR A 304 ? 0.1205 0.1232 0.0102 -0.0052 0.0082  0.0193  304  THR A O    
4241 C  CB   . THR A 304 ? 0.1297 0.1506 0.0074 -0.0143 0.0060  0.0103  304  THR A CB   
4242 O  OG1  . THR A 304 ? 0.1262 0.1526 0.0122 -0.0143 0.0164  0.0206  304  THR A OG1  
4243 C  CG2  . THR A 304 ? 0.1410 0.1540 0.0092 -0.0199 0.0136  0.0130  304  THR A CG2  
4244 H  H    . THR A 304 ? 0.1285 0.1439 0.0078 -0.0060 0.0060  0.0128  304  THR A H    
4245 H  HA   . THR A 304 ? 0.1143 0.1433 0.0072 -0.0075 0.0014  0.0111  304  THR A HA   
4246 H  HB   . THR A 304 ? 0.1271 0.1496 0.0080 -0.0140 0.0077  0.0121  304  THR A HB   
4247 H  HG1  . THR A 304 ? 0.0990 0.0990 0.0990 0.0000  0.0000  0.0000  304  THR A HG1  
4248 H  HG21 . THR A 304 ? 0.1365 0.1528 0.0088 -0.0187 0.0123  0.0123  304  THR A HG21 
4249 H  HG22 . THR A 304 ? 0.1374 0.1528 0.0086 -0.0184 0.0116  0.0121  304  THR A HG22 
4250 H  HG23 . THR A 304 ? 0.1386 0.1531 0.0087 -0.0189 0.0122  0.0120  304  THR A HG23 
4251 N  N    . ASP A 305 ? 0.1109 0.1486 0.0087 -0.0038 0.0026  0.0181  305  ASP A N    
4252 C  CA   . ASP A 305 ? 0.1127 0.1461 0.0083 -0.0120 0.0040  0.0156  305  ASP A CA   
4253 C  C    . ASP A 305 ? 0.1104 0.1416 0.0084 -0.0093 -0.0043 0.0164  305  ASP A C    
4254 O  O    . ASP A 305 ? 0.1212 0.1417 0.0077 -0.0081 -0.0069 0.0121  305  ASP A O    
4255 C  CB   . ASP A 305 ? 0.1226 0.1523 0.0092 -0.0179 0.0105  0.0150  305  ASP A CB   
4256 C  CG   . ASP A 305 ? 0.1272 0.1441 0.0081 -0.0176 0.0021  0.0150  305  ASP A CG   
4257 O  OD1  . ASP A 305 ? 0.1243 0.1371 0.0082 -0.0129 -0.0106 0.0121  305  ASP A OD1  
4258 O  OD2  . ASP A 305 ? 0.1366 0.1464 0.0070 -0.0060 0.0026  0.0096  305  ASP A OD2  
4259 H  H    . ASP A 305 ? 0.1119 0.1447 0.0086 -0.0052 0.0031  0.0175  305  ASP A H    
4260 H  HA   . ASP A 305 ? 0.1137 0.1469 0.0083 -0.0108 0.0035  0.0157  305  ASP A HA   
4261 H  HB2  . ASP A 305 ? 0.1210 0.1502 0.0085 -0.0164 0.0071  0.0150  305  ASP A HB2  
4262 H  HB3  . ASP A 305 ? 0.1200 0.1492 0.0086 -0.0161 0.0076  0.0150  305  ASP A HB3  
4263 N  N    . CYS A 306 ? 0.1127 0.1409 0.0073 -0.0166 -0.0008 0.0116  306  CYS A N    
4264 C  CA   . CYS A 306 ? 0.1116 0.1553 0.0072 -0.0147 -0.0076 0.0086  306  CYS A CA   
4265 C  C    . CYS A 306 ? 0.1060 0.1419 0.0067 -0.0143 -0.0012 0.0076  306  CYS A C    
4266 O  O    . CYS A 306 ? 0.1173 0.1589 0.0074 -0.0142 0.0086  0.0068  306  CYS A O    
4267 C  CB   . CYS A 306 ? 0.1228 0.1678 0.0103 -0.0228 0.0002  0.0249  306  CYS A CB   
4268 S  SG   . CYS A 306 ? 0.1404 0.1794 0.0180 -0.0147 0.0091  0.0384  306  CYS A SG   
4269 H  H    . CYS A 306 ? 0.1120 0.1436 0.0074 -0.0141 -0.0028 0.0120  306  CYS A H    
4270 H  HA   . CYS A 306 ? 0.1126 0.1510 0.0071 -0.0164 -0.0039 0.0101  306  CYS A HA   
4271 H  HB2  . CYS A 306 ? 0.1216 0.1656 0.0097 -0.0194 -0.0008 0.0233  306  CYS A HB2  
4272 H  HB3  . CYS A 306 ? 0.1223 0.1653 0.0095 -0.0194 -0.0008 0.0225  306  CYS A HB3  
4273 N  N    . ALA A 307 ? 0.1161 0.1394 0.0076 -0.0038 0.0053  0.0117  307  ALA A N    
4274 C  CA   . ALA A 307 ? 0.1103 0.1510 0.0073 -0.0103 0.0024  0.0113  307  ALA A CA   
4275 C  C    . ALA A 307 ? 0.1194 0.1519 0.0077 -0.0094 0.0023  0.0136  307  ALA A C    
4276 O  O    . ALA A 307 ? 0.1155 0.1631 0.0067 -0.0146 0.0052  0.0037  307  ALA A O    
4277 C  CB   . ALA A 307 ? 0.1105 0.1478 0.0065 -0.0068 0.0038  0.0027  307  ALA A CB   
4278 H  H    . ALA A 307 ? 0.1118 0.1426 0.0072 -0.0077 0.0031  0.0104  307  ALA A H    
4279 H  HA   . ALA A 307 ? 0.1121 0.1484 0.0071 -0.0091 0.0029  0.0099  307  ALA A HA   
4280 H  HB1  . ALA A 307 ? 0.1107 0.1486 0.0066 -0.0079 0.0035  0.0049  307  ALA A HB1  
4281 H  HB2  . ALA A 307 ? 0.1105 0.1475 0.0066 -0.0077 0.0035  0.0045  307  ALA A HB2  
4282 H  HB3  . ALA A 307 ? 0.1107 0.1486 0.0066 -0.0077 0.0034  0.0050  307  ALA A HB3  
4283 N  N    . LYS A 308 ? 0.1219 0.1642 0.0063 -0.0144 0.0000  0.0031  308  LYS A N    
4284 C  CA   . LYS A 308 ? 0.1283 0.1639 0.0064 -0.0104 -0.0026 -0.0013 308  LYS A CA   
4285 C  C    . LYS A 308 ? 0.1249 0.1682 0.0064 -0.0080 -0.0001 0.0043  308  LYS A C    
4286 O  O    . LYS A 308 ? 0.1345 0.1553 0.0073 -0.0125 0.0016  0.0117  308  LYS A O    
4287 C  CB   . LYS A 308 ? 0.1342 0.1705 0.0209 -0.0063 0.0028  0.0016  308  LYS A CB   
4288 C  CG   . LYS A 308 ? 0.1516 0.1747 0.0506 -0.0051 -0.0028 -0.0141 308  LYS A CG   
4289 C  CD   . LYS A 308 ? 0.1725 0.2061 0.1343 0.0064  -0.0045 -0.0132 308  LYS A CD   
4290 C  CE   . LYS A 308 ? 0.1731 0.2110 0.1726 0.0104  0.0151  -0.0105 308  LYS A CE   
4291 N  NZ   . LYS A 308 ? 0.1665 0.2284 0.1946 0.0023  0.0285  0.0005  308  LYS A NZ   
4292 H  H    . LYS A 308 ? 0.1218 0.1606 0.0064 -0.0129 -0.0003 0.0044  308  LYS A H    
4293 H  HA   . LYS A 308 ? 0.1270 0.1659 0.0063 -0.0103 -0.0010 0.0010  308  LYS A HA   
4294 H  HB2  . LYS A 308 ? 0.1356 0.1689 0.0169 -0.0075 0.0002  -0.0025 308  LYS A HB2  
4295 H  HB3  . LYS A 308 ? 0.1357 0.1692 0.0203 -0.0074 0.0007  -0.0029 308  LYS A HB3  
4296 H  HG2  . LYS A 308 ? 0.1492 0.1777 0.0521 -0.0034 -0.0016 -0.0095 308  LYS A HG2  
4297 H  HG3  . LYS A 308 ? 0.1494 0.1779 0.0513 -0.0033 -0.0019 -0.0094 308  LYS A HG3  
4298 H  HD2  . LYS A 308 ? 0.1659 0.2005 0.1119 0.0057  0.0004  -0.0133 308  LYS A HD2  
4299 H  HD3  . LYS A 308 ? 0.1660 0.1989 0.1202 0.0035  0.0018  -0.0168 308  LYS A HD3  
4300 H  HE2  . LYS A 308 ? 0.1714 0.2131 0.1662 0.0076  0.0134  -0.0090 308  LYS A HE2  
4301 H  HE3  . LYS A 308 ? 0.1715 0.2132 0.1685 0.0072  0.0140  -0.0101 308  LYS A HE3  
4302 H  HZ1  . LYS A 308 ? 0.1692 0.2234 0.1904 0.0044  0.0246  -0.0039 308  LYS A HZ1  
4303 H  HZ2  . LYS A 308 ? 0.1691 0.2238 0.1873 0.0050  0.0237  -0.0031 308  LYS A HZ2  
4304 H  HZ3  . LYS A 308 ? 0.1696 0.2242 0.1896 0.0039  0.0231  -0.0017 308  LYS A HZ3  
4305 N  N    . TYR A 309 ? 0.1173 0.1592 0.0063 -0.0113 -0.0003 0.0001  309  TYR A N    
4306 C  CA   . TYR A 309 ? 0.1191 0.1581 0.0064 -0.0128 -0.0042 0.0002  309  TYR A CA   
4307 C  C    . TYR A 309 ? 0.1167 0.1533 0.0071 -0.0057 -0.0088 0.0042  309  TYR A C    
4308 O  O    . TYR A 309 ? 0.1251 0.1460 0.0068 -0.0058 -0.0078 0.0016  309  TYR A O    
4309 C  CB   . TYR A 309 ? 0.1214 0.1561 0.0065 -0.0063 0.0053  -0.0007 309  TYR A CB   
4310 C  CG   . TYR A 309 ? 0.1219 0.1578 0.0069 -0.0079 0.0055  0.0063  309  TYR A CG   
4311 C  CD1  . TYR A 309 ? 0.1397 0.1611 0.0063 -0.0032 0.0005  0.0017  309  TYR A CD1  
4312 C  CD2  . TYR A 309 ? 0.1182 0.1639 0.0064 -0.0073 0.0034  -0.0008 309  TYR A CD2  
4313 C  CE1  . TYR A 309 ? 0.1381 0.1665 0.0069 -0.0026 0.0064  -0.0076 309  TYR A CE1  
4314 C  CE2  . TYR A 309 ? 0.1271 0.1725 0.0076 0.0013  0.0099  -0.0087 309  TYR A CE2  
4315 C  CZ   . TYR A 309 ? 0.1305 0.1765 0.0099 0.0106  0.0193  -0.0081 309  TYR A CZ   
4316 O  OH   . TYR A 309 ? 0.1489 0.2449 0.0452 0.0426  0.0244  0.0003  309  TYR A OH   
4317 H  H    . TYR A 309 ? 0.1195 0.1618 0.0063 -0.0108 -0.0013 -0.0009 309  TYR A H    
4318 H  HA   . TYR A 309 ? 0.1185 0.1562 0.0064 -0.0104 -0.0034 -0.0007 309  TYR A HA   
4319 H  HB2  . TYR A 309 ? 0.1209 0.1568 0.0063 -0.0083 0.0026  0.0003  309  TYR A HB2  
4320 H  HB3  . TYR A 309 ? 0.1211 0.1572 0.0064 -0.0079 0.0028  0.0008  309  TYR A HB3  
4321 H  HD1  . TYR A 309 ? 0.1340 0.1614 0.0063 -0.0036 0.0020  0.0012  309  TYR A HD1  
4322 H  HD2  . TYR A 309 ? 0.1213 0.1643 0.0065 -0.0053 0.0052  -0.0010 309  TYR A HD2  
4323 H  HE1  . TYR A 309 ? 0.1368 0.1673 0.0072 0.0004  0.0072  -0.0058 309  TYR A HE1  
4324 H  HE2  . TYR A 309 ? 0.1260 0.1711 0.0075 0.0010  0.0108  -0.0067 309  TYR A HE2  
4325 H  HH   . TYR A 309 ? 0.1563 0.1563 0.1563 0.0000  0.0000  0.0000  309  TYR A HH   
4326 N  N    . LEU A 310 ? 0.1077 0.1583 0.0071 -0.0055 -0.0032 0.0102  310  LEU A N    
4327 C  CA   . LEU A 310 ? 0.1120 0.1689 0.0065 0.0070  0.0010  0.0064  310  LEU A CA   
4328 C  C    . LEU A 310 ? 0.1229 0.1571 0.0064 0.0046  0.0007  0.0032  310  LEU A C    
4329 O  O    . LEU A 310 ? 0.1195 0.1498 0.0063 -0.0001 0.0000  0.0025  310  LEU A O    
4330 C  CB   . LEU A 310 ? 0.1111 0.1691 0.0066 0.0017  -0.0018 0.0072  310  LEU A CB   
4331 C  CG   . LEU A 310 ? 0.1169 0.1742 0.0069 0.0040  -0.0052 0.0077  310  LEU A CG   
4332 C  CD1  . LEU A 310 ? 0.1283 0.1794 0.0081 0.0102  -0.0129 0.0079  310  LEU A CD1  
4333 C  CD2  . LEU A 310 ? 0.1235 0.1689 0.0065 0.0012  -0.0021 0.0057  310  LEU A CD2  
4334 H  H    . LEU A 310 ? 0.1101 0.1574 0.0069 -0.0041 -0.0031 0.0086  310  LEU A H    
4335 H  HA   . LEU A 310 ? 0.1131 0.1648 0.0065 0.0030  -0.0002 0.0063  310  LEU A HA   
4336 H  HB2  . LEU A 310 ? 0.1121 0.1698 0.0066 0.0029  -0.0020 0.0068  310  LEU A HB2  
4337 H  HB3  . LEU A 310 ? 0.1127 0.1705 0.0066 0.0031  -0.0016 0.0063  310  LEU A HB3  
4338 H  HG   . LEU A 310 ? 0.1186 0.1727 0.0069 0.0039  -0.0053 0.0072  310  LEU A HG   
4339 H  HD11 . LEU A 310 ? 0.1270 0.1779 0.0078 0.0080  -0.0115 0.0081  310  LEU A HD11 
4340 H  HD12 . LEU A 310 ? 0.1258 0.1782 0.0077 0.0087  -0.0104 0.0081  310  LEU A HD12 
4341 H  HD13 . LEU A 310 ? 0.1251 0.1776 0.0076 0.0081  -0.0104 0.0079  310  LEU A HD13 
4342 H  HD21 . LEU A 310 ? 0.1214 0.1699 0.0066 0.0016  -0.0027 0.0065  310  LEU A HD21 
4343 H  HD22 . LEU A 310 ? 0.1216 0.1703 0.0066 0.0020  -0.0029 0.0064  310  LEU A HD22 
4344 H  HD23 . LEU A 310 ? 0.1213 0.1701 0.0066 0.0019  -0.0029 0.0063  310  LEU A HD23 
4345 N  N    . ASN A 311 ? 0.1200 0.1550 0.0071 -0.0035 -0.0061 0.0087  311  ASN A N    
4346 C  CA   . ASN A 311 ? 0.1126 0.1582 0.0073 0.0011  -0.0029 0.0118  311  ASN A CA   
4347 C  C    . ASN A 311 ? 0.1213 0.1566 0.0068 -0.0053 -0.0008 0.0090  311  ASN A C    
4348 O  O    . ASN A 311 ? 0.1372 0.1753 0.0233 -0.0113 -0.0198 0.0019  311  ASN A O    
4349 C  CB   . ASN A 311 ? 0.1169 0.1608 0.0071 -0.0053 -0.0074 0.0075  311  ASN A CB   
4350 C  CG   . ASN A 311 ? 0.1188 0.1543 0.0086 -0.0057 -0.0093 0.0154  311  ASN A CG   
4351 O  OD1  . ASN A 311 ? 0.1673 0.1626 0.0315 -0.0191 -0.0026 0.0231  311  ASN A OD1  
4352 N  ND2  . ASN A 311 ? 0.1225 0.1328 0.0074 -0.0098 -0.0072 0.0095  311  ASN A ND2  
4353 H  H    . ASN A 311 ? 0.1186 0.1561 0.0068 -0.0007 -0.0035 0.0081  311  ASN A H    
4354 H  HA   . ASN A 311 ? 0.1162 0.1575 0.0070 -0.0020 -0.0037 0.0098  311  ASN A HA   
4355 H  HB2  . ASN A 311 ? 0.1163 0.1587 0.0074 -0.0041 -0.0069 0.0102  311  ASN A HB2  
4356 H  HB3  . ASN A 311 ? 0.1157 0.1584 0.0074 -0.0046 -0.0073 0.0099  311  ASN A HB3  
4357 H  HD21 . ASN A 311 ? 0.1208 0.1376 0.0076 -0.0094 -0.0074 0.0107  311  ASN A HD21 
4358 H  HD22 . ASN A 311 ? 0.1216 0.1362 0.0073 -0.0088 -0.0073 0.0093  311  ASN A HD22 
4359 N  N    . GLY A 312 ? 0.1181 0.1538 0.0065 -0.0052 0.0018  0.0051  312  GLY A N    
4360 C  CA   . GLY A 312 ? 0.1260 0.1562 0.0068 -0.0001 -0.0025 0.0084  312  GLY A CA   
4361 C  C    . GLY A 312 ? 0.1427 0.1479 0.0072 -0.0088 0.0062  0.0089  312  GLY A C    
4362 O  O    . GLY A 312 ? 0.1501 0.1629 0.0088 0.0004  0.0071  0.0185  312  GLY A O    
4363 H  H    . GLY A 312 ? 0.1200 0.1545 0.0066 -0.0045 -0.0002 0.0063  312  GLY A H    
4364 H  HA2  . GLY A 312 ? 0.1275 0.1541 0.0067 -0.0032 0.0005  0.0077  312  GLY A HA2  
4365 H  HA3  . GLY A 312 ? 0.1276 0.1541 0.0067 -0.0032 0.0004  0.0077  312  GLY A HA3  
4366 N  N    . LYS A 313 ? 0.1258 0.1516 0.0076 -0.0077 0.0076  0.0102  313  LYS A N    
4367 C  CA   . LYS A 313 ? 0.1218 0.1528 0.0063 -0.0049 -0.0026 -0.0003 313  LYS A CA   
4368 C  C    . LYS A 313 ? 0.1398 0.1657 0.0068 -0.0154 0.0079  0.0014  313  LYS A C    
4369 O  O    . LYS A 313 ? 0.1496 0.1753 0.0194 -0.0211 0.0111  -0.0125 313  LYS A O    
4370 C  CB   . LYS A 313 ? 0.1250 0.1600 0.0070 -0.0084 -0.0061 0.0081  313  LYS A CB   
4371 C  CG   . LYS A 313 ? 0.1276 0.1689 0.0218 -0.0136 0.0001  0.0065  313  LYS A CG   
4372 C  CD   . LYS A 313 ? 0.1196 0.1774 0.0359 -0.0098 0.0056  0.0136  313  LYS A CD   
4373 C  CE   . LYS A 313 ? 0.1258 0.1982 0.0414 -0.0079 0.0100  0.0060  313  LYS A CE   
4374 N  NZ   . LYS A 313 ? 0.1295 0.2078 0.0589 0.0023  0.0139  0.0017  313  LYS A NZ   
4375 H  H    . LYS A 313 ? 0.1281 0.1485 0.0074 -0.0082 0.0058  0.0103  313  LYS A H    
4376 H  HA   . LYS A 313 ? 0.1266 0.1559 0.0064 -0.0080 0.0010  0.0038  313  LYS A HA   
4377 H  HB2  . LYS A 313 ? 0.1247 0.1598 0.0069 -0.0088 -0.0042 0.0053  313  LYS A HB2  
4378 H  HB3  . LYS A 313 ? 0.1248 0.1599 0.0079 -0.0086 -0.0040 0.0057  313  LYS A HB3  
4379 H  HG2  . LYS A 313 ? 0.1254 0.1682 0.0199 -0.0115 -0.0002 0.0082  313  LYS A HG2  
4380 H  HG3  . LYS A 313 ? 0.1254 0.1683 0.0201 -0.0114 -0.0002 0.0083  313  LYS A HG3  
4381 H  HD2  . LYS A 313 ? 0.1231 0.1796 0.0337 -0.0100 0.0057  0.0110  313  LYS A HD2  
4382 H  HD3  . LYS A 313 ? 0.1226 0.1782 0.0324 -0.0108 0.0057  0.0111  313  LYS A HD3  
4383 H  HE2  . LYS A 313 ? 0.1249 0.1946 0.0434 -0.0062 0.0096  0.0069  313  LYS A HE2  
4384 H  HE3  . LYS A 313 ? 0.1250 0.1947 0.0435 -0.0061 0.0096  0.0069  313  LYS A HE3  
4385 H  HZ1  . LYS A 313 ? 0.1292 0.2063 0.0544 0.0003  0.0118  0.0019  313  LYS A HZ1  
4386 H  HZ2  . LYS A 313 ? 0.1289 0.2061 0.0541 0.0001  0.0131  0.0038  313  LYS A HZ2  
4387 H  HZ3  . LYS A 313 ? 0.1283 0.2050 0.0533 -0.0003 0.0127  0.0029  313  LYS A HZ3  
4388 N  N    . GLY A 314 ? 0.1673 0.1973 0.0078 -0.0072 0.0156  0.0021  314  GLY A N    
4389 C  CA   . GLY A 314 ? 0.1784 0.1920 0.0073 0.0120  0.0129  -0.0028 314  GLY A CA   
4390 C  C    . GLY A 314 ? 0.1799 0.2004 0.0082 0.0116  0.0183  0.0004  314  GLY A C    
4391 O  O    . GLY A 314 ? 0.2444 0.2314 0.0063 0.0281  0.0020  0.0027  314  GLY A O    
4392 H  H    . GLY A 314 ? 0.1615 0.1883 0.0075 -0.0038 0.0134  0.0016  314  GLY A H    
4393 H  HA2  . GLY A 314 ? 0.1781 0.1950 0.0074 0.0079  0.0137  -0.0012 314  GLY A HA2  
4394 H  HA3  . GLY A 314 ? 0.1758 0.1942 0.0075 0.0070  0.0145  -0.0011 314  GLY A HA3  
4395 N  N    . ASN A 315 ? 0.1487 0.1879 0.0067 0.0154  -0.0027 0.0080  315  ASN A N    
4396 C  CA   . ASN A 315 ? 0.1587 0.1697 0.0068 0.0097  -0.0075 0.0044  315  ASN A CA   
4397 C  C    . ASN A 315 ? 0.1503 0.1747 0.0064 0.0055  0.0009  0.0041  315  ASN A C    
4398 O  O    . ASN A 315 ? 0.1736 0.1812 0.0077 0.0025  -0.0148 0.0045  315  ASN A O    
4399 C  CB   . ASN A 315 ? 0.1577 0.1716 0.0146 0.0025  -0.0112 0.0231  315  ASN A CB   
4400 C  CG   . ASN A 315 ? 0.1778 0.1759 0.0089 -0.0100 -0.0107 0.0094  315  ASN A CG   
4401 O  OD1  . ASN A 315 ? 0.2133 0.2303 0.0408 -0.0333 -0.0010 0.0348  315  ASN A OD1  
4402 N  ND2  . ASN A 315 ? 0.1682 0.1680 0.0085 -0.0054 -0.0074 0.0174  315  ASN A ND2  
4403 H  H    . ASN A 315 ? 0.1571 0.1856 0.0065 0.0130  0.0005  0.0055  315  ASN A H    
4404 H  HA   . ASN A 315 ? 0.1554 0.1742 0.0069 0.0084  -0.0063 0.0071  315  ASN A HA   
4405 H  HB2  . ASN A 315 ? 0.1622 0.1722 0.0154 0.0021  -0.0089 0.0177  315  ASN A HB2  
4406 H  HB3  . ASN A 315 ? 0.1610 0.1708 0.0095 0.0029  -0.0107 0.0168  315  ASN A HB3  
4407 H  HD21 . ASN A 315 ? 0.1707 0.1694 0.0083 -0.0062 -0.0086 0.0162  315  ASN A HD21 
4408 H  HD22 . ASN A 315 ? 0.1708 0.1689 0.0082 -0.0062 -0.0085 0.0155  315  ASN A HD22 
4409 N  N    . GLY A 316 ? 0.1474 0.1671 0.0070 0.0057  -0.0098 0.0008  316  GLY A N    
4410 C  CA   . GLY A 316 ? 0.1445 0.1590 0.0082 0.0026  -0.0076 0.0147  316  GLY A CA   
4411 C  C    . GLY A 316 ? 0.1413 0.1616 0.0079 -0.0005 0.0009  0.0159  316  GLY A C    
4412 O  O    . GLY A 316 ? 0.1504 0.1550 0.0127 0.0050  0.0246  0.0171  316  GLY A O    
4413 H  H    . GLY A 316 ? 0.1462 0.1667 0.0069 0.0044  -0.0081 0.0041  316  GLY A H    
4414 H  HA2  . GLY A 316 ? 0.1444 0.1617 0.0075 0.0026  -0.0061 0.0118  316  GLY A HA2  
4415 H  HA3  . GLY A 316 ? 0.1444 0.1617 0.0075 0.0025  -0.0058 0.0119  316  GLY A HA3  
4416 N  N    . ALA A 317 ? 0.1343 0.1590 0.0080 -0.0073 0.0055  0.0146  317  ALA A N    
4417 C  CA   . ALA A 317 ? 0.1359 0.1507 0.0093 -0.0113 0.0013  0.0207  317  ALA A CA   
4418 C  C    . ALA A 317 ? 0.1161 0.1597 0.0076 -0.0160 -0.0104 0.0083  317  ALA A C    
4419 O  O    . ALA A 317 ? 0.1455 0.1838 0.0083 -0.0107 -0.0049 0.0184  317  ALA A O    
4420 C  CB   . ALA A 317 ? 0.1428 0.1666 0.0083 -0.0141 0.0012  0.0179  317  ALA A CB   
4421 H  H    . ALA A 317 ? 0.1357 0.1575 0.0083 -0.0068 0.0042  0.0166  317  ALA A H    
4422 H  HA   . ALA A 317 ? 0.1309 0.1559 0.0084 -0.0128 0.0011  0.0177  317  ALA A HA   
4423 H  HB1  . ALA A 317 ? 0.1411 0.1624 0.0087 -0.0138 0.0009  0.0190  317  ALA A HB1  
4424 H  HB2  . ALA A 317 ? 0.1418 0.1623 0.0085 -0.0139 0.0017  0.0183  317  ALA A HB2  
4425 H  HB3  . ALA A 317 ? 0.1415 0.1624 0.0085 -0.0130 0.0006  0.0183  317  ALA A HB3  
4426 N  N    . ARG A 318 ? 0.1115 0.1563 0.0084 -0.0121 -0.0128 0.0109  318  ARG A N    
4427 C  CA   . ARG A 318 ? 0.1101 0.1558 0.0096 -0.0136 -0.0121 0.0180  318  ARG A CA   
4428 C  C    . ARG A 318 ? 0.1278 0.1557 0.0092 -0.0130 -0.0153 0.0138  318  ARG A C    
4429 O  O    . ARG A 318 ? 0.1375 0.1722 0.0107 -0.0087 -0.0111 0.0245  318  ARG A O    
4430 C  CB   . ARG A 318 ? 0.1089 0.1586 0.0089 -0.0114 -0.0145 0.0105  318  ARG A CB   
4431 C  CG   . ARG A 318 ? 0.1093 0.1637 0.0110 -0.0136 -0.0190 0.0161  318  ARG A CG   
4432 C  CD   . ARG A 318 ? 0.1146 0.1688 0.0152 -0.0170 -0.0113 0.0230  318  ARG A CD   
4433 N  NE   . ARG A 318 ? 0.1121 0.1705 0.0221 -0.0199 -0.0024 0.0200  318  ARG A NE   
4434 C  CZ   . ARG A 318 ? 0.1193 0.1653 0.0151 -0.0169 0.0107  0.0167  318  ARG A CZ   
4435 N  NH1  . ARG A 318 ? 0.1250 0.1612 0.0073 -0.0166 0.0105  0.0021  318  ARG A NH1  
4436 N  NH2  . ARG A 318 ? 0.1205 0.1697 0.0130 -0.0250 0.0114  0.0173  318  ARG A NH2  
4437 H  H    . ARG A 318 ? 0.1126 0.1571 0.0084 -0.0133 -0.0121 0.0118  318  ARG A H    
4438 H  HA   . ARG A 318 ? 0.1132 0.1566 0.0091 -0.0127 -0.0130 0.0149  318  ARG A HA   
4439 H  HB2  . ARG A 318 ? 0.1095 0.1595 0.0094 -0.0124 -0.0147 0.0140  318  ARG A HB2  
4440 H  HB3  . ARG A 318 ? 0.1101 0.1601 0.0093 -0.0128 -0.0148 0.0135  318  ARG A HB3  
4441 H  HG2  . ARG A 318 ? 0.1098 0.1640 0.0104 -0.0144 -0.0177 0.0153  318  ARG A HG2  
4442 H  HG3  . ARG A 318 ? 0.1101 0.1630 0.0102 -0.0136 -0.0164 0.0161  318  ARG A HG3  
4443 H  HD2  . ARG A 318 ? 0.1133 0.1681 0.0153 -0.0165 -0.0101 0.0210  318  ARG A HD2  
4444 H  HD3  . ARG A 318 ? 0.1129 0.1680 0.0147 -0.0169 -0.0110 0.0208  318  ARG A HD3  
4445 H  HE   . ARG A 318 ? 0.1129 0.1689 0.0186 -0.0188 -0.0015 0.0198  318  ARG A HE   
4446 H  HH11 . ARG A 318 ? 0.1232 0.1625 0.0075 -0.0164 0.0096  0.0066  318  ARG A HH11 
4447 H  HH12 . ARG A 318 ? 0.1234 0.1618 0.0075 -0.0165 0.0099  0.0065  318  ARG A HH12 
4448 H  HH21 . ARG A 318 ? 0.1204 0.1689 0.0138 -0.0228 0.0114  0.0166  318  ARG A HH21 
4449 H  HH22 . ARG A 318 ? 0.1202 0.1685 0.0138 -0.0225 0.0111  0.0171  318  ARG A HH22 
4450 N  N    . TYR A 319 ? 0.1451 0.1571 0.0118 -0.0124 -0.0216 0.0198  319  TYR A N    
4451 C  CA   . TYR A 319 ? 0.1439 0.1541 0.0099 -0.0159 -0.0193 0.0138  319  TYR A CA   
4452 C  C    . TYR A 319 ? 0.1497 0.1550 0.0125 -0.0178 -0.0104 0.0141  319  TYR A C    
4453 O  O    . TYR A 319 ? 0.1713 0.1638 0.0105 -0.0228 -0.0182 0.0207  319  TYR A O    
4454 C  CB   . TYR A 319 ? 0.1562 0.1594 0.0130 -0.0235 -0.0270 0.0207  319  TYR A CB   
4455 C  CG   . TYR A 319 ? 0.1698 0.1597 0.0101 -0.0264 -0.0226 0.0137  319  TYR A CG   
4456 C  CD1  . TYR A 319 ? 0.1811 0.1627 0.0142 -0.0254 -0.0340 0.0136  319  TYR A CD1  
4457 C  CD2  . TYR A 319 ? 0.1875 0.1740 0.0459 -0.0397 -0.0327 0.0263  319  TYR A CD2  
4458 C  CE1  . TYR A 319 ? 0.1977 0.1593 0.0293 -0.0224 -0.0336 0.0104  319  TYR A CE1  
4459 C  CE2  . TYR A 319 ? 0.2015 0.1629 0.0350 -0.0438 -0.0239 0.0262  319  TYR A CE2  
4460 C  CZ   . TYR A 319 ? 0.2200 0.1537 0.0517 -0.0391 -0.0327 0.0179  319  TYR A CZ   
4461 O  OH   . TYR A 319 ? 0.3091 0.1720 0.1230 -0.0548 -0.0432 0.0028  319  TYR A OH   
4462 H  H    . TYR A 319 ? 0.1397 0.1543 0.0113 -0.0126 -0.0201 0.0189  319  TYR A H    
4463 H  HA   . TYR A 319 ? 0.1465 0.1554 0.0104 -0.0163 -0.0198 0.0163  319  TYR A HA   
4464 H  HB2  . TYR A 319 ? 0.1563 0.1583 0.0116 -0.0220 -0.0246 0.0172  319  TYR A HB2  
4465 H  HB3  . TYR A 319 ? 0.1568 0.1586 0.0115 -0.0225 -0.0242 0.0175  319  TYR A HB3  
4466 H  HD1  . TYR A 319 ? 0.1819 0.1612 0.0125 -0.0252 -0.0316 0.0134  319  TYR A HD1  
4467 H  HD2  . TYR A 319 ? 0.1867 0.1682 0.0272 -0.0383 -0.0295 0.0235  319  TYR A HD2  
4468 H  HE1  . TYR A 319 ? 0.1968 0.1585 0.0298 -0.0261 -0.0331 0.0126  319  TYR A HE1  
4469 H  HE2  . TYR A 319 ? 0.2004 0.1631 0.0407 -0.0422 -0.0276 0.0242  319  TYR A HE2  
4470 H  HH   . TYR A 319 ? 0.2152 0.2152 0.2152 0.0000  0.0000  0.0000  319  TYR A HH   
4471 N  N    . ASP A 320 ? 0.1455 0.1569 0.0133 -0.0173 -0.0017 0.0230  320  ASP A N    
4472 C  CA   . ASP A 320 ? 0.1499 0.1686 0.0127 -0.0163 0.0045  0.0198  320  ASP A CA   
4473 C  C    . ASP A 320 ? 0.1593 0.1766 0.0099 -0.0217 0.0062  0.0228  320  ASP A C    
4474 O  O    . ASP A 320 ? 0.1728 0.2250 0.0158 -0.0322 0.0139  0.0393  320  ASP A O    
4475 C  CB   . ASP A 320 ? 0.1460 0.1948 0.0063 -0.0160 0.0000  -0.0009 320  ASP A CB   
4476 C  CG   . ASP A 320 ? 0.1490 0.2165 0.0072 -0.0059 -0.0112 0.0036  320  ASP A CG   
4477 O  OD1  . ASP A 320 ? 0.1483 0.2061 0.0083 -0.0056 -0.0051 0.0147  320  ASP A OD1  
4478 O  OD2  . ASP A 320 ? 0.1463 0.2778 0.0851 0.0090  -0.0051 -0.0022 320  ASP A OD2  
4479 H  H    . ASP A 320 ? 0.1473 0.1572 0.0120 -0.0170 -0.0028 0.0210  320  ASP A H    
4480 H  HA   . ASP A 320 ? 0.1502 0.1709 0.0097 -0.0176 0.0025  0.0175  320  ASP A HA   
4481 H  HB2  . ASP A 320 ? 0.1470 0.1930 0.0064 -0.0144 -0.0009 0.0048  320  ASP A HB2  
4482 H  HB3  . ASP A 320 ? 0.1469 0.1916 0.0064 -0.0149 -0.0026 0.0023  320  ASP A HB3  
4483 N  N    . GLY A 321 ? 0.1521 0.1672 0.0074 -0.0186 0.0052  0.0117  321  GLY A N    
4484 C  CA   . GLY A 321 ? 0.1534 0.1816 0.0067 -0.0085 0.0039  0.0067  321  GLY A CA   
4485 C  C    . GLY A 321 ? 0.1559 0.1802 0.0071 -0.0121 -0.0004 0.0118  321  GLY A C    
4486 O  O    . GLY A 321 ? 0.2279 0.1864 0.0170 -0.0121 -0.0216 -0.0069 321  GLY A O    
4487 H  H    . GLY A 321 ? 0.1525 0.1719 0.0076 -0.0169 0.0061  0.0126  321  GLY A H    
4488 H  HA2  . GLY A 321 ? 0.1534 0.1779 0.0069 -0.0118 0.0032  0.0091  321  GLY A HA2  
4489 H  HA3  . GLY A 321 ? 0.1538 0.1783 0.0068 -0.0117 0.0030  0.0087  321  GLY A HA3  
4490 N  N    . SER A 322 ? 0.1456 0.1756 0.0076 -0.0060 0.0063  0.0131  322  SER A N    
4491 C  CA   . SER A 322 ? 0.1372 0.1805 0.0085 -0.0015 0.0046  0.0186  322  SER A CA   
4492 C  C    . SER A 322 ? 0.1460 0.1789 0.0075 -0.0017 0.0049  0.0136  322  SER A C    
4493 O  O    . SER A 322 ? 0.1633 0.1814 0.0933 -0.0035 0.0255  0.0396  322  SER A O    
4494 C  CB   . SER A 322 ? 0.1281 0.1933 0.0171 -0.0038 0.0101  0.0200  322  SER A CB   
4495 O  OG   . SER A 322 ? 0.1336 0.2027 0.0156 -0.0100 0.0118  0.0301  322  SER A OG   
4496 H  H    . SER A 322 ? 0.1464 0.1775 0.0075 -0.0066 0.0042  0.0135  322  SER A H    
4497 H  HA   . SER A 322 ? 0.1395 0.1814 0.0082 -0.0030 0.0058  0.0168  322  SER A HA   
4498 H  HB2  . SER A 322 ? 0.1316 0.1920 0.0137 -0.0045 0.0092  0.0221  322  SER A HB2  
4499 H  HB3  . SER A 322 ? 0.1319 0.1927 0.0138 -0.0042 0.0089  0.0217  322  SER A HB3  
4500 H  HG   . SER A 322 ? 0.1204 0.1204 0.1204 0.0000  0.0000  0.0000  322  SER A HG   
4501 N  N    . TYR A 323 ? 0.1389 0.1596 0.0123 -0.0073 0.0037  0.0156  323  TYR A N    
4502 C  CA   . TYR A 323 ? 0.1434 0.1561 0.0069 -0.0083 0.0059  0.0066  323  TYR A CA   
4503 C  C    . TYR A 323 ? 0.1357 0.1481 0.0070 -0.0041 0.0091  -0.0038 323  TYR A C    
4504 O  O    . TYR A 323 ? 0.1380 0.1440 0.0080 0.0003  -0.0088 -0.0122 323  TYR A O    
4505 C  CB   . TYR A 323 ? 0.1512 0.1736 0.0066 -0.0116 0.0029  0.0067  323  TYR A CB   
4506 C  CG   . TYR A 323 ? 0.1610 0.1741 0.0073 -0.0226 -0.0107 -0.0005 323  TYR A CG   
4507 C  CD1  . TYR A 323 ? 0.1720 0.1787 0.0162 -0.0317 0.0017  -0.0182 323  TYR A CD1  
4508 C  CD2  . TYR A 323 ? 0.1645 0.1798 0.0091 -0.0283 -0.0195 0.0118  323  TYR A CD2  
4509 C  CE1  . TYR A 323 ? 0.1769 0.2064 0.0080 -0.0375 0.0117  -0.0154 323  TYR A CE1  
4510 C  CE2  . TYR A 323 ? 0.1916 0.1910 0.0153 -0.0386 -0.0159 0.0192  323  TYR A CE2  
4511 C  CZ   . TYR A 323 ? 0.1976 0.2074 0.0070 -0.0455 0.0109  0.0003  323  TYR A CZ   
4512 O  OH   . TYR A 323 ? 0.2613 0.2429 0.0409 -0.0860 0.0239  0.0140  323  TYR A OH   
4513 H  H    . TYR A 323 ? 0.1415 0.1618 0.0076 -0.0060 0.0046  0.0131  323  TYR A H    
4514 H  HA   . TYR A 323 ? 0.1421 0.1575 0.0068 -0.0075 0.0058  0.0062  323  TYR A HA   
4515 H  HB2  . TYR A 323 ? 0.1518 0.1696 0.0065 -0.0133 0.0007  0.0053  323  TYR A HB2  
4516 H  HB3  . TYR A 323 ? 0.1513 0.1702 0.0065 -0.0135 0.0005  0.0054  323  TYR A HB3  
4517 H  HD1  . TYR A 323 ? 0.1705 0.1840 0.0118 -0.0310 0.0008  -0.0129 323  TYR A HD1  
4518 H  HD2  . TYR A 323 ? 0.1675 0.1808 0.0082 -0.0289 -0.0161 0.0101  323  TYR A HD2  
4519 H  HE1  . TYR A 323 ? 0.1777 0.2007 0.0091 -0.0380 0.0089  -0.0123 323  TYR A HE1  
4520 H  HE2  . TYR A 323 ? 0.1848 0.1903 0.0089 -0.0369 -0.0109 0.0133  323  TYR A HE2  
4521 H  HH   . TYR A 323 ? 0.1905 0.1905 0.1905 0.0000  0.0000  0.0000  323  TYR A HH   
4522 N  N    . ALA A 324 ? 0.1274 0.1369 0.0068 0.0022  0.0058  -0.0051 324  ALA A N    
4523 C  CA   . ALA A 324 ? 0.1287 0.1559 0.0244 -0.0005 -0.0004 0.0009  324  ALA A CA   
4524 C  C    . ALA A 324 ? 0.1298 0.1532 0.0194 0.0014  -0.0123 -0.0048 324  ALA A C    
4525 O  O    . ALA A 324 ? 0.1269 0.1757 0.0232 -0.0004 -0.0222 -0.0010 324  ALA A O    
4526 C  CB   . ALA A 324 ? 0.1397 0.1657 0.0299 -0.0060 -0.0003 0.0034  324  ALA A CB   
4527 H  H    . ALA A 324 ? 0.1289 0.1410 0.0066 0.0014  0.0056  -0.0036 324  ALA A H    
4528 H  HA   . ALA A 324 ? 0.1304 0.1541 0.0189 -0.0001 -0.0010 -0.0005 324  ALA A HA   
4529 H  HB1  . ALA A 324 ? 0.1375 0.1630 0.0284 -0.0041 0.0000  0.0025  324  ALA A HB1  
4530 H  HB2  . ALA A 324 ? 0.1367 0.1634 0.0288 -0.0044 0.0000  0.0020  324  ALA A HB2  
4531 H  HB3  . ALA A 324 ? 0.1365 0.1637 0.0281 -0.0041 -0.0001 0.0027  324  ALA A HB3  
4532 N  N    . ALA A 325 ? 0.1431 0.1698 0.0240 -0.0004 -0.0237 0.0114  325  ALA A N    
4533 C  CA   . ALA A 325 ? 0.1689 0.1746 0.0124 0.0040  -0.0307 0.0064  325  ALA A CA   
4534 C  C    . ALA A 325 ? 0.1700 0.1737 0.0187 -0.0020 -0.0451 0.0014  325  ALA A C    
4535 O  O    . ALA A 325 ? 0.1972 0.1822 0.0389 0.0103  -0.0551 0.0021  325  ALA A O    
4536 C  CB   . ALA A 325 ? 0.1778 0.1801 0.0192 -0.0030 -0.0344 0.0023  325  ALA A CB   
4537 H  H    . ALA A 325 ? 0.1440 0.1657 0.0186 0.0010  -0.0219 0.0060  325  ALA A H    
4538 H  HA   . ALA A 325 ? 0.1658 0.1745 0.0140 0.0008  -0.0333 0.0059  325  ALA A HA   
4539 H  HB1  . ALA A 325 ? 0.1753 0.1797 0.0173 -0.0006 -0.0341 0.0020  325  ALA A HB1  
4540 H  HB2  . ALA A 325 ? 0.1752 0.1795 0.0155 -0.0010 -0.0339 0.0034  325  ALA A HB2  
4541 H  HB3  . ALA A 325 ? 0.1758 0.1787 0.0156 -0.0008 -0.0341 0.0032  325  ALA A HB3  
4542 N  N    . ASP A 326 ? 0.1708 0.1630 0.0150 -0.0029 -0.0374 0.0060  326  ASP A N    
4543 C  CA   . ASP A 326 ? 0.1668 0.1628 0.0255 -0.0047 -0.0485 0.0016  326  ASP A CA   
4544 C  C    . ASP A 326 ? 0.1859 0.1840 0.0414 -0.0116 -0.0489 0.0120  326  ASP A C    
4545 O  O    . ASP A 326 ? 0.1797 0.2127 0.0454 -0.0267 -0.0276 0.0272  326  ASP A O    
4546 C  CB   . ASP A 326 ? 0.1724 0.1709 0.0254 -0.0070 -0.0459 -0.0025 326  ASP A CB   
4547 C  CG   . ASP A 326 ? 0.1969 0.2265 0.0207 -0.0126 -0.0523 0.0017  326  ASP A CG   
4548 O  OD1  . ASP A 326 ? 0.1947 0.1902 0.0254 -0.0125 -0.0256 -0.0095 326  ASP A OD1  
4549 O  OD2  . ASP A 326 ? 0.2351 0.4178 0.0387 -0.0513 -0.0852 0.0352  326  ASP A OD2  
4550 H  H    . ASP A 326 ? 0.1689 0.1645 0.0172 -0.0024 -0.0418 0.0049  326  ASP A H    
4551 H  HA   . ASP A 326 ? 0.1696 0.1679 0.0249 -0.0053 -0.0467 0.0037  326  ASP A HA   
4552 H  HB2  . ASP A 326 ? 0.1744 0.1777 0.0241 -0.0069 -0.0481 -0.0005 326  ASP A HB2  
4553 H  HB3  . ASP A 326 ? 0.1753 0.1753 0.0242 -0.0078 -0.0479 -0.0012 326  ASP A HB3  
4554 N  N    . LYS A 327 ? 0.2210 0.1750 0.0551 -0.0104 -0.0620 0.0269  327  LYS A N    
4555 C  CA   . LYS A 327 ? 0.2633 0.1935 0.0961 -0.0309 -0.0520 0.0299  327  LYS A CA   
4556 C  C    . LYS A 327 ? 0.2329 0.1803 0.0826 -0.0425 -0.0325 0.0287  327  LYS A C    
4557 O  O    . LYS A 327 ? 0.2126 0.2183 0.1009 -0.0482 -0.0316 0.0281  327  LYS A O    
4558 C  CB   . LYS A 327 ? 0.3208 0.1995 0.1460 -0.0351 -0.0803 0.0377  327  LYS A CB   
4559 C  CG   . LYS A 327 ? 0.3910 0.2651 0.2082 -0.0503 -0.0862 0.0795  327  LYS A CG   
4560 C  CD   . LYS A 327 ? 0.4635 0.3137 0.3180 -0.0422 -0.1013 0.1224  327  LYS A CD   
4561 C  CE   . LYS A 327 ? 0.5209 0.3805 0.4161 -0.1178 -0.0695 0.1237  327  LYS A CE   
4562 N  NZ   . LYS A 327 ? 0.6140 0.5060 0.4903 -0.1241 -0.0328 0.0805  327  LYS A NZ   
4563 H  H    . LYS A 327 ? 0.2189 0.1805 0.0577 -0.0146 -0.0572 0.0233  327  LYS A H    
4564 H  HA   . LYS A 327 ? 0.2538 0.1878 0.0901 -0.0296 -0.0553 0.0309  327  LYS A HA   
4565 H  HB2  . LYS A 327 ? 0.3129 0.2067 0.1385 -0.0372 -0.0749 0.0422  327  LYS A HB2  
4566 H  HB3  . LYS A 327 ? 0.3156 0.2091 0.1418 -0.0366 -0.0749 0.0436  327  LYS A HB3  
4567 H  HG2  . LYS A 327 ? 0.3791 0.2513 0.2057 -0.0429 -0.0840 0.0772  327  LYS A HG2  
4568 H  HG3  . LYS A 327 ? 0.3792 0.2499 0.2049 -0.0449 -0.0887 0.0766  327  LYS A HG3  
4569 H  HD2  . LYS A 327 ? 0.4533 0.3116 0.3090 -0.0568 -0.0874 0.1150  327  LYS A HD2  
4570 H  HD3  . LYS A 327 ? 0.4555 0.3096 0.3046 -0.0589 -0.0949 0.1124  327  LYS A HD3  
4571 H  HE2  . LYS A 327 ? 0.5243 0.3862 0.3998 -0.1024 -0.0711 0.1161  327  LYS A HE2  
4572 H  HE3  . LYS A 327 ? 0.5213 0.3819 0.3989 -0.0977 -0.0693 0.1155  327  LYS A HE3  
4573 H  HZ1  . LYS A 327 ? 0.5935 0.4649 0.4715 -0.1174 -0.0346 0.0978  327  LYS A HZ1  
4574 H  HZ2  . LYS A 327 ? 0.5909 0.4728 0.4648 -0.1266 -0.0445 0.0967  327  LYS A HZ2  
4575 H  HZ3  . LYS A 327 ? 0.5889 0.4850 0.4655 -0.1108 -0.0454 0.0918  327  LYS A HZ3  
4576 N  N    . ALA A 328 ? 0.2351 0.2037 0.0416 -0.0303 -0.0316 0.0247  328  ALA A N    
4577 C  CA   . ALA A 328 ? 0.2306 0.1848 0.0451 -0.0385 -0.0312 0.0388  328  ALA A CA   
4578 C  C    . ALA A 328 ? 0.2267 0.1853 0.0770 -0.0344 -0.0429 0.0427  328  ALA A C    
4579 O  O    . ALA A 328 ? 0.2730 0.1837 0.1217 -0.0330 -0.0640 0.0504  328  ALA A O    
4580 C  CB   . ALA A 328 ? 0.2405 0.2204 0.0885 -0.0297 -0.0174 0.0431  328  ALA A CB   
4581 H  H    . ALA A 328 ? 0.2334 0.1938 0.0454 -0.0339 -0.0292 0.0272  328  ALA A H    
4582 H  HA   . ALA A 328 ? 0.2322 0.1894 0.0501 -0.0344 -0.0315 0.0426  328  ALA A HA   
4583 H  HB1  . ALA A 328 ? 0.2413 0.2100 0.0780 -0.0305 -0.0176 0.0429  328  ALA A HB1  
4584 H  HB2  . ALA A 328 ? 0.2380 0.2124 0.0751 -0.0331 -0.0211 0.0422  328  ALA A HB2  
4585 H  HB3  . ALA A 328 ? 0.2380 0.2123 0.0806 -0.0324 -0.0208 0.0371  328  ALA A HB3  
4586 N  N    . ILE A 329 ? 0.2203 0.1661 0.0754 -0.0288 -0.0439 0.0545  329  ILE A N    
4587 C  CA   . ILE A 329 ? 0.2666 0.1757 0.0851 -0.0471 -0.0577 0.0459  329  ILE A CA   
4588 C  C    . ILE A 329 ? 0.2666 0.1916 0.1064 -0.0553 -0.0710 0.0544  329  ILE A C    
4589 O  O    . ILE A 329 ? 0.3161 0.1959 0.2606 -0.0885 -0.1202 0.0582  329  ILE A O    
4590 C  CB   . ILE A 329 ? 0.2927 0.1869 0.0821 -0.0376 -0.0560 0.0274  329  ILE A CB   
4591 C  CG1  . ILE A 329 ? 0.3034 0.2115 0.1357 -0.0274 -0.0342 0.0167  329  ILE A CG1  
4592 C  CG2  . ILE A 329 ? 0.3189 0.2106 0.0856 -0.0431 -0.0636 0.0039  329  ILE A CG2  
4593 C  CD1  . ILE A 329 ? 0.2737 0.2206 0.1189 0.0006  -0.0414 0.0269  329  ILE A CD1  
4594 H  H    . ILE A 329 ? 0.2321 0.1674 0.0744 -0.0329 -0.0474 0.0539  329  ILE A H    
4595 H  HA   . ILE A 329 ? 0.2613 0.1790 0.0870 -0.0433 -0.0559 0.0455  329  ILE A HA   
4596 H  HB   . ILE A 329 ? 0.2917 0.1898 0.0896 -0.0367 -0.0552 0.0275  329  ILE A HB   
4597 H  HG12 . ILE A 329 ? 0.2965 0.2122 0.1179 -0.0267 -0.0399 0.0203  329  ILE A HG12 
4598 H  HG13 . ILE A 329 ? 0.2936 0.2093 0.1187 -0.0239 -0.0410 0.0240  329  ILE A HG13 
4599 H  HG21 . ILE A 329 ? 0.3117 0.2076 0.0883 -0.0431 -0.0600 0.0083  329  ILE A HG21 
4600 H  HG22 . ILE A 329 ? 0.3129 0.2043 0.0869 -0.0416 -0.0608 0.0112  329  ILE A HG22 
4601 H  HG23 . ILE A 329 ? 0.3121 0.2045 0.0881 -0.0412 -0.0621 0.0107  329  ILE A HG23 
4602 H  HD11 . ILE A 329 ? 0.2813 0.2175 0.1230 -0.0074 -0.0395 0.0251  329  ILE A HD11 
4603 H  HD12 . ILE A 329 ? 0.2804 0.2142 0.1232 -0.0051 -0.0403 0.0256  329  ILE A HD12 
4604 H  HD13 . ILE A 329 ? 0.2805 0.2170 0.1236 -0.0074 -0.0398 0.0244  329  ILE A HD13 
4605 N  N    . GLY A 330 ? 0.2397 0.1756 0.0754 -0.0714 -0.0627 0.0596  330  GLY A N    
4606 C  CA   . GLY A 330 ? 0.2317 0.2143 0.0842 -0.0653 -0.0497 0.0606  330  GLY A CA   
4607 C  C    . GLY A 330 ? 0.2026 0.1932 0.0872 -0.0826 -0.0115 0.0516  330  GLY A C    
4608 O  O    . GLY A 330 ? 0.2321 0.2595 0.2109 -0.0987 -0.0099 -0.0205 330  GLY A O    
4609 H  H    . GLY A 330 ? 0.2430 0.1784 0.0836 -0.0673 -0.0609 0.0587  330  GLY A H    
4610 H  HA2  . GLY A 330 ? 0.2281 0.2038 0.0871 -0.0691 -0.0456 0.0546  330  GLY A HA2  
4611 H  HA3  . GLY A 330 ? 0.2271 0.2002 0.0859 -0.0703 -0.0441 0.0584  330  GLY A HA3  
4612 N  N    . ASP A 331 ? 0.2324 0.2123 0.1108 -0.0796 -0.0600 0.0548  331  ASP A N    
4613 C  CA   . ASP A 331 ? 0.2357 0.2261 0.0667 -0.0635 -0.0410 0.0415  331  ASP A CA   
4614 C  C    . ASP A 331 ? 0.1830 0.2389 0.0420 -0.0552 -0.0137 0.0267  331  ASP A C    
4615 O  O    . ASP A 331 ? 0.2002 0.2072 0.0569 -0.0556 -0.0436 0.0356  331  ASP A O    
4616 C  CB   . ASP A 331 ? 0.2541 0.2338 0.0815 -0.0550 -0.0099 0.0437  331  ASP A CB   
4617 C  CG   . ASP A 331 ? 0.2501 0.2403 0.1092 -0.0521 -0.0029 0.0617  331  ASP A CG   
4618 O  OD1  . ASP A 331 ? 0.2660 0.3207 0.1617 -0.0339 -0.0068 0.1014  331  ASP A OD1  
4619 O  OD2  . ASP A 331 ? 0.3199 0.2422 0.2168 -0.0308 0.0490  0.0593  331  ASP A OD2  
4620 H  H    . ASP A 331 ? 0.2259 0.2116 0.0950 -0.0761 -0.0425 0.0514  331  ASP A H    
4621 H  HA   . ASP A 331 ? 0.2257 0.2261 0.0709 -0.0639 -0.0335 0.0400  331  ASP A HA   
4622 H  HB2  . ASP A 331 ? 0.2484 0.2331 0.0830 -0.0564 -0.0158 0.0468  331  ASP A HB2  
4623 H  HB3  . ASP A 331 ? 0.2485 0.2336 0.0848 -0.0565 -0.0155 0.0459  331  ASP A HB3  
4624 N  N    . CYS A 332 ? 0.1591 0.2360 0.0166 -0.0506 0.0032  0.0457  332  CYS A N    
4625 C  CA   . CYS A 332 ? 0.1586 0.2306 0.0112 -0.0412 -0.0059 0.0332  332  CYS A CA   
4626 C  C    . CYS A 332 ? 0.1653 0.2586 0.0076 -0.0239 -0.0022 0.0183  332  CYS A C    
4627 O  O    . CYS A 332 ? 0.2098 0.2275 0.0778 -0.0016 -0.0590 0.0256  332  CYS A O    
4628 C  CB   . CYS A 332 ? 0.1653 0.2299 0.0115 -0.0341 0.0008  0.0333  332  CYS A CB   
4629 S  SG   . CYS A 332 ? 0.1664 0.2067 0.0151 -0.0219 0.0055  0.0359  332  CYS A SG   
4630 H  H    . CYS A 332 ? 0.1645 0.2342 0.0134 -0.0495 -0.0019 0.0393  332  CYS A H    
4631 H  HA   . CYS A 332 ? 0.1612 0.2352 0.0113 -0.0386 -0.0021 0.0335  332  CYS A HA   
4632 H  HB2  . CYS A 332 ? 0.1633 0.2249 0.0111 -0.0328 0.0006  0.0318  332  CYS A HB2  
4633 H  HB3  . CYS A 332 ? 0.1634 0.2253 0.0117 -0.0325 -0.0008 0.0339  332  CYS A HB3  
4634 N  N    . SER A 333 ? 0.1630 0.3601 0.0332 -0.0473 -0.0064 0.0205  333  SER A N    
4635 C  CA   . SER A 333 ? 0.2067 0.3842 0.0707 -0.0334 -0.0229 0.0048  333  SER A CA   
4636 C  C    . SER A 333 ? 0.2036 0.3588 0.0767 -0.0284 -0.0220 0.0070  333  SER A C    
4637 O  O    . SER A 333 ? 0.2920 0.4309 0.1831 0.0205  -0.0973 0.0051  333  SER A O    
4638 C  CB   . SER A 333 ? 0.2365 0.4431 0.0826 -0.0570 -0.0039 0.0156  333  SER A CB   
4639 O  OG   . SER A 333 ? 0.4868 0.4734 0.0140 -0.0647 -0.0046 0.0598  333  SER A OG   
4640 H  H    . SER A 333 ? 0.1728 0.3331 0.0344 -0.0401 -0.0052 0.0140  333  SER A H    
4641 H  HA   . SER A 333 ? 0.1997 0.3813 0.0639 -0.0387 -0.0157 0.0107  333  SER A HA   
4642 H  HB2  . SER A 333 ? 0.2616 0.4347 0.0676 -0.0501 -0.0070 0.0234  333  SER A HB2  
4643 H  HB3  . SER A 333 ? 0.2509 0.4324 0.0672 -0.0478 -0.0054 0.0225  333  SER A HB3  
4644 H  HG   . SER A 333 ? 0.3691 0.3691 0.3691 0.0000  0.0000  0.0000  333  SER A HG   
4645 N  N    . SER A 334 ? 0.1369 0.2850 0.0403 -0.0482 -0.0037 0.0337  334  SER A N    
4646 C  CA   . SER A 334 ? 0.1499 0.2729 0.0420 -0.0504 -0.0022 0.0351  334  SER A CA   
4647 C  C    . SER A 334 ? 0.1456 0.2209 0.0107 -0.0340 -0.0104 0.0205  334  SER A C    
4648 O  O    . SER A 334 ? 0.1649 0.2409 0.0130 -0.0488 -0.0209 0.0224  334  SER A O    
4649 C  CB   . SER A 334 ? 0.2135 0.2605 0.1279 -0.0506 0.0103  0.0655  334  SER A CB   
4650 O  OG   . SER A 334 ? 0.3275 0.3439 0.2071 -0.0731 0.0074  0.1081  334  SER A OG   
4651 H  H    . SER A 334 ? 0.1472 0.2925 0.0448 -0.0431 -0.0088 0.0298  334  SER A H    
4652 H  HA   . SER A 334 ? 0.1521 0.2614 0.0425 -0.0458 -0.0029 0.0357  334  SER A HA   
4653 H  HB2  . SER A 334 ? 0.2079 0.2746 0.1084 -0.0542 0.0081  0.0646  334  SER A HB2  
4654 H  HB3  . SER A 334 ? 0.2039 0.2748 0.1180 -0.0528 0.0096  0.0674  334  SER A HB3  
4655 H  HG   . SER A 334 ? 0.3301 0.3301 0.3301 0.0000  0.0000  0.0000  334  SER A HG   
4656 N  N    . LEU A 335 ? 0.1397 0.1670 0.0100 -0.0293 -0.0121 0.0226  335  LEU A N    
4657 C  CA   . LEU A 335 ? 0.1272 0.1643 0.0175 -0.0217 -0.0077 0.0179  335  LEU A CA   
4658 C  C    . LEU A 335 ? 0.1134 0.1573 0.0098 -0.0179 -0.0069 0.0223  335  LEU A C    
4659 O  O    . LEU A 335 ? 0.1306 0.1664 0.0088 -0.0169 0.0049  0.0185  335  LEU A O    
4660 C  CB   . LEU A 335 ? 0.1239 0.1626 0.0225 -0.0216 -0.0075 0.0209  335  LEU A CB   
4661 C  CG   . LEU A 335 ? 0.1480 0.1608 0.0174 -0.0184 -0.0114 0.0123  335  LEU A CG   
4662 C  CD1  . LEU A 335 ? 0.1506 0.1659 0.0394 -0.0061 0.0037  0.0208  335  LEU A CD1  
4663 C  CD2  . LEU A 335 ? 0.1600 0.1561 0.0157 -0.0107 -0.0090 0.0126  335  LEU A CD2  
4664 H  H    . LEU A 335 ? 0.1371 0.1773 0.0094 -0.0286 -0.0120 0.0210  335  LEU A H    
4665 H  HA   . LEU A 335 ? 0.1269 0.1638 0.0147 -0.0221 -0.0079 0.0211  335  LEU A HA   
4666 H  HB2  . LEU A 335 ? 0.1300 0.1627 0.0224 -0.0209 -0.0075 0.0190  335  LEU A HB2  
4667 H  HB3  . LEU A 335 ? 0.1286 0.1620 0.0195 -0.0218 -0.0071 0.0193  335  LEU A HB3  
4668 H  HG   . LEU A 335 ? 0.1464 0.1614 0.0216 -0.0151 -0.0082 0.0152  335  LEU A HG   
4669 H  HD11 . LEU A 335 ? 0.1496 0.1649 0.0332 -0.0099 -0.0007 0.0188  335  LEU A HD11 
4670 H  HD12 . LEU A 335 ? 0.1496 0.1644 0.0332 -0.0099 -0.0007 0.0188  335  LEU A HD12 
4671 H  HD13 . LEU A 335 ? 0.1495 0.1652 0.0384 -0.0097 0.0000  0.0209  335  LEU A HD13 
4672 H  HD21 . LEU A 335 ? 0.1573 0.1576 0.0164 -0.0132 -0.0094 0.0124  335  LEU A HD21 
4673 H  HD22 . LEU A 335 ? 0.1569 0.1578 0.0166 -0.0126 -0.0100 0.0121  335  LEU A HD22 
4674 H  HD23 . LEU A 335 ? 0.1566 0.1569 0.0163 -0.0128 -0.0097 0.0123  335  LEU A HD23 
4675 N  N    . ALA A 336 ? 0.1218 0.1581 0.0080 -0.0227 -0.0038 0.0162  336  ALA A N    
4676 C  CA   . ALA A 336 ? 0.1336 0.1635 0.0068 -0.0211 -0.0078 0.0037  336  ALA A CA   
4677 C  C    . ALA A 336 ? 0.1232 0.1648 0.0065 -0.0203 -0.0043 -0.0012 336  ALA A C    
4678 O  O    . ALA A 336 ? 0.1212 0.1883 0.0067 -0.0274 -0.0054 0.0058  336  ALA A O    
4679 C  CB   . ALA A 336 ? 0.1491 0.1581 0.0072 -0.0256 -0.0070 0.0101  336  ALA A CB   
4680 H  H    . ALA A 336 ? 0.1212 0.1584 0.0081 -0.0227 -0.0038 0.0164  336  ALA A H    
4681 H  HA   . ALA A 336 ? 0.1326 0.1618 0.0068 -0.0215 -0.0059 0.0067  336  ALA A HA   
4682 H  HB1  . ALA A 336 ? 0.1446 0.1596 0.0070 -0.0241 -0.0072 0.0079  336  ALA A HB1  
4683 H  HB2  . ALA A 336 ? 0.1445 0.1603 0.0070 -0.0239 -0.0077 0.0082  336  ALA A HB2  
4684 H  HB3  . ALA A 336 ? 0.1455 0.1600 0.0070 -0.0238 -0.0074 0.0081  336  ALA A HB3  
4685 N  N    . THR A 337 ? 0.1116 0.1669 0.0070 -0.0186 0.0014  0.0101  337  THR A N    
4686 C  CA   . THR A 337 ? 0.1103 0.1679 0.0072 -0.0175 0.0068  0.0072  337  THR A CA   
4687 C  C    . THR A 337 ? 0.1169 0.1548 0.0070 -0.0138 0.0018  0.0097  337  THR A C    
4688 O  O    . THR A 337 ? 0.1308 0.1529 0.0066 -0.0157 -0.0066 0.0015  337  THR A O    
4689 C  CB   . THR A 337 ? 0.1325 0.1845 0.0193 -0.0070 0.0034  -0.0079 337  THR A CB   
4690 O  OG1  . THR A 337 ? 0.1469 0.2090 0.0342 -0.0257 0.0234  -0.0169 337  THR A OG1  
4691 C  CG2  . THR A 337 ? 0.1438 0.1999 0.0076 -0.0084 0.0023  -0.0155 337  THR A CG2  
4692 H  H    . THR A 337 ? 0.1143 0.1656 0.0067 -0.0190 0.0014  0.0073  337  THR A H    
4693 H  HA   . THR A 337 ? 0.1134 0.1656 0.0071 -0.0173 0.0060  0.0078  337  THR A HA   
4694 H  HB   . THR A 337 ? 0.1310 0.1864 0.0126 -0.0125 0.0070  -0.0067 337  THR A HB   
4695 H  HG1  . THR A 337 ? 0.1375 0.1375 0.1375 0.0000  0.0000  0.0000  337  THR A HG1  
4696 H  HG21 . THR A 337 ? 0.1413 0.1957 0.0105 -0.0084 0.0022  -0.0132 337  THR A HG21 
4697 H  HG22 . THR A 337 ? 0.1407 0.1952 0.0104 -0.0081 0.0024  -0.0133 337  THR A HG22 
4698 H  HG23 . THR A 337 ? 0.1413 0.1958 0.0108 -0.0076 0.0020  -0.0137 337  THR A HG23 
4699 N  N    . GLY A 338 ? 0.1279 0.1577 0.0067 -0.0206 0.0016  0.0070  338  GLY A N    
4700 C  CA   . GLY A 338 ? 0.1134 0.1572 0.0067 -0.0156 -0.0016 0.0076  338  GLY A CA   
4701 C  C    . GLY A 338 ? 0.1149 0.1560 0.0079 -0.0147 0.0011  0.0152  338  GLY A C    
4702 O  O    . GLY A 338 ? 0.1118 0.1610 0.0071 -0.0170 0.0023  0.0107  338  GLY A O    
4703 H  H    . GLY A 338 ? 0.1219 0.1574 0.0067 -0.0177 0.0010  0.0075  338  GLY A H    
4704 H  HA2  . GLY A 338 ? 0.1161 0.1569 0.0069 -0.0159 -0.0007 0.0093  338  GLY A HA2  
4705 H  HA3  . GLY A 338 ? 0.1171 0.1579 0.0068 -0.0160 -0.0006 0.0086  338  GLY A HA3  
4706 N  N    . PHE A 339 ? 0.1186 0.1649 0.0075 -0.0192 0.0016  0.0134  339  PHE A N    
4707 C  CA   . PHE A 339 ? 0.1328 0.1685 0.0068 -0.0106 -0.0025 0.0085  339  PHE A CA   
4708 C  C    . PHE A 339 ? 0.1243 0.1592 0.0088 -0.0150 0.0094  0.0152  339  PHE A C    
4709 O  O    . PHE A 339 ? 0.1392 0.1548 0.0082 -0.0166 0.0117  0.0101  339  PHE A O    
4710 C  CB   . PHE A 339 ? 0.1453 0.1774 0.0163 0.0007  -0.0187 -0.0008 339  PHE A CB   
4711 C  CG   . PHE A 339 ? 0.1934 0.2122 0.0387 0.0293  -0.0645 -0.0117 339  PHE A CG   
4712 C  CD1  . PHE A 339 ? 0.2243 0.1939 0.1172 0.0210  -0.1455 -0.0043 339  PHE A CD1  
4713 C  CD2  . PHE A 339 ? 0.2415 0.2340 0.0228 0.0528  -0.0623 -0.0134 339  PHE A CD2  
4714 C  CE1  . PHE A 339 ? 0.2576 0.2273 0.1456 0.0417  -0.1722 -0.0209 339  PHE A CE1  
4715 C  CE2  . PHE A 339 ? 0.2821 0.2463 0.0369 0.0667  -0.0849 -0.0230 339  PHE A CE2  
4716 C  CZ   . PHE A 339 ? 0.2952 0.2109 0.0828 0.0404  -0.1485 -0.0248 339  PHE A CZ   
4717 H  H    . PHE A 339 ? 0.1193 0.1627 0.0075 -0.0171 0.0015  0.0133  339  PHE A H    
4718 H  HA   . PHE A 339 ? 0.1307 0.1675 0.0069 -0.0109 -0.0022 0.0094  339  PHE A HA   
4719 H  HB2  . PHE A 339 ? 0.1485 0.1799 0.0130 0.0018  -0.0222 0.0003  339  PHE A HB2  
4720 H  HB3  . PHE A 339 ? 0.1494 0.1805 0.0129 0.0027  -0.0225 0.0000  339  PHE A HB3  
4721 H  HD1  . PHE A 339 ? 0.2290 0.2066 0.1028 0.0253  -0.1287 -0.0077 339  PHE A HD1  
4722 H  HD2  . PHE A 339 ? 0.2337 0.2291 0.0271 0.0487  -0.0688 -0.0146 339  PHE A HD2  
4723 H  HE1  . PHE A 339 ? 0.2585 0.2199 0.1188 0.0394  -0.1604 -0.0201 339  PHE A HE1  
4724 H  HE2  . PHE A 339 ? 0.2703 0.2334 0.0396 0.0576  -0.0938 -0.0209 339  PHE A HE2  
4725 H  HZ   . PHE A 339 ? 0.2803 0.2185 0.0786 0.0475  -0.1407 -0.0234 339  PHE A HZ   
4726 N  N    . VAL A 340 ? 0.1150 0.1558 0.0089 -0.0123 0.0041  0.0187  340  VAL A N    
4727 C  CA   . VAL A 340 ? 0.1230 0.1487 0.0093 -0.0126 -0.0029 0.0207  340  VAL A CA   
4728 C  C    . VAL A 340 ? 0.1324 0.1564 0.0171 -0.0152 0.0024  0.0185  340  VAL A C    
4729 O  O    . VAL A 340 ? 0.1538 0.1592 0.0289 -0.0147 -0.0006 0.0222  340  VAL A O    
4730 C  CB   . VAL A 340 ? 0.1229 0.1436 0.0293 -0.0097 -0.0015 0.0234  340  VAL A CB   
4731 C  CG1  . VAL A 340 ? 0.1356 0.1482 0.0164 -0.0163 0.0006  0.0329  340  VAL A CG1  
4732 C  CG2  . VAL A 340 ? 0.1248 0.1555 0.0299 -0.0164 0.0020  0.0228  340  VAL A CG2  
4733 H  H    . VAL A 340 ? 0.1186 0.1541 0.0092 -0.0136 0.0043  0.0195  340  VAL A H    
4734 H  HA   . VAL A 340 ? 0.1223 0.1505 0.0089 -0.0128 -0.0021 0.0194  340  VAL A HA   
4735 H  HB   . VAL A 340 ? 0.1254 0.1463 0.0203 -0.0123 -0.0009 0.0252  340  VAL A HB   
4736 H  HG11 . VAL A 340 ? 0.1320 0.1470 0.0197 -0.0145 -0.0002 0.0300  340  VAL A HG11 
4737 H  HG12 . VAL A 340 ? 0.1319 0.1469 0.0172 -0.0144 -0.0007 0.0301  340  VAL A HG12 
4738 H  HG13 . VAL A 340 ? 0.1327 0.1470 0.0199 -0.0147 -0.0007 0.0301  340  VAL A HG13 
4739 H  HG21 . VAL A 340 ? 0.1245 0.1522 0.0297 -0.0145 0.0009  0.0229  340  VAL A HG21 
4740 H  HG22 . VAL A 340 ? 0.1244 0.1523 0.0296 -0.0144 0.0010  0.0229  340  VAL A HG22 
4741 H  HG23 . VAL A 340 ? 0.1245 0.1534 0.0295 -0.0150 0.0013  0.0223  340  VAL A HG23 
4742 N  N    . SER A 341 ? 0.1372 0.1557 0.0260 -0.0219 -0.0006 0.0280  341  SER A N    
4743 C  CA   . SER A 341 ? 0.1361 0.1704 0.0463 -0.0266 -0.0101 0.0209  341  SER A CA   
4744 C  C    . SER A 341 ? 0.1368 0.1783 0.0672 -0.0296 0.0165  0.0351  341  SER A C    
4745 O  O    . SER A 341 ? 0.1539 0.1916 0.1056 -0.0311 0.0254  0.0590  341  SER A O    
4746 C  CB   . SER A 341 ? 0.1387 0.1779 0.0457 -0.0380 -0.0172 0.0247  341  SER A CB   
4747 O  OG   . SER A 341 ? 0.1378 0.2108 0.0276 -0.0091 -0.0126 0.0250  341  SER A OG   
4748 H  H    . SER A 341 ? 0.1353 0.1565 0.0262 -0.0207 -0.0020 0.0257  341  SER A H    
4749 H  HA   . SER A 341 ? 0.1376 0.1695 0.0449 -0.0277 -0.0046 0.0253  341  SER A HA   
4750 H  HB2  . SER A 341 ? 0.1347 0.1801 0.0429 -0.0316 -0.0139 0.0244  341  SER A HB2  
4751 H  HB3  . SER A 341 ? 0.1377 0.1823 0.0457 -0.0291 -0.0151 0.0238  341  SER A HB3  
4752 H  HG   . SER A 341 ? 0.1297 0.1297 0.1297 0.0000  0.0000  0.0000  341  SER A HG   
4753 N  N    . LYS A 342 ? 0.1531 0.1867 0.0343 -0.0294 0.0201  0.0399  342  LYS A N    
4754 C  CA   . LYS A 342 ? 0.1757 0.2022 0.0374 -0.0259 0.0206  0.0576  342  LYS A CA   
4755 C  C    . LYS A 342 ? 0.1628 0.1988 0.0421 -0.0214 0.0186  0.0501  342  LYS A C    
4756 O  O    . LYS A 342 ? 0.1832 0.2302 0.0694 -0.0105 0.0300  0.0861  342  LYS A O    
4757 C  CB   . LYS A 342 ? 0.2053 0.2082 0.0492 -0.0144 0.0279  0.0473  342  LYS A CB   
4758 C  CG   . LYS A 342 ? 0.2167 0.2242 0.0624 -0.0232 0.0158  0.0473  342  LYS A CG   
4759 C  CD   . LYS A 342 ? 0.1835 0.2055 0.0866 -0.0213 0.0034  0.0591  342  LYS A CD   
4760 C  CE   . LYS A 342 ? 0.1928 0.2207 0.1149 -0.0302 0.0075  0.0368  342  LYS A CE   
4761 N  NZ   . LYS A 342 ? 0.1501 0.2162 0.0934 -0.0370 0.0017  0.0192  342  LYS A NZ   
4762 H  H    . LYS A 342 ? 0.1527 0.1864 0.0427 -0.0286 0.0190  0.0422  342  LYS A H    
4763 H  HA   . LYS A 342 ? 0.1729 0.1986 0.0396 -0.0236 0.0213  0.0508  342  LYS A HA   
4764 H  HB2  . LYS A 342 ? 0.1995 0.2100 0.0478 -0.0192 0.0242  0.0499  342  LYS A HB2  
4765 H  HB3  . LYS A 342 ? 0.1999 0.2103 0.0487 -0.0194 0.0239  0.0496  342  LYS A HB3  
4766 H  HG2  . LYS A 342 ? 0.2057 0.2155 0.0656 -0.0209 0.0153  0.0494  342  LYS A HG2  
4767 H  HG3  . LYS A 342 ? 0.2063 0.2177 0.0672 -0.0218 0.0168  0.0477  342  LYS A HG3  
4768 H  HD2  . LYS A 342 ? 0.1893 0.2087 0.0843 -0.0208 0.0041  0.0556  342  LYS A HD2  
4769 H  HD3  . LYS A 342 ? 0.1881 0.2117 0.0872 -0.0239 0.0064  0.0526  342  LYS A HD3  
4770 H  HE2  . LYS A 342 ? 0.1809 0.2192 0.1041 -0.0313 0.0068  0.0351  342  LYS A HE2  
4771 H  HE3  . LYS A 342 ? 0.1858 0.2168 0.1023 -0.0288 0.0056  0.0373  342  LYS A HE3  
4772 H  HZ1  . LYS A 342 ? 0.1536 0.2173 0.0972 -0.0361 0.0033  0.0240  342  LYS A HZ1  
4773 H  HZ2  . LYS A 342 ? 0.1586 0.2176 0.0977 -0.0353 0.0037  0.0240  342  LYS A HZ2  
4774 H  HZ3  . LYS A 342 ? 0.1582 0.2175 0.0953 -0.0352 0.0046  0.0240  342  LYS A HZ3  
4775 N  N    . LEU A 343 ? 0.1491 0.1993 0.0447 -0.0171 0.0055  0.0668  343  LEU A N    
4776 C  CA   . LEU A 343 ? 0.1644 0.2103 0.0837 -0.0113 -0.0074 0.0629  343  LEU A CA   
4777 C  C    . LEU A 343 ? 0.1735 0.2081 0.1410 -0.0076 0.0249  0.0771  343  LEU A C    
4778 O  O    . LEU A 343 ? 0.1815 0.2041 0.2040 -0.0111 0.0194  0.0741  343  LEU A O    
4779 C  CB   . LEU A 343 ? 0.1639 0.2126 0.0465 -0.0084 -0.0069 0.0554  343  LEU A CB   
4780 C  CG   . LEU A 343 ? 0.1770 0.2239 0.0386 -0.0181 -0.0063 0.0282  343  LEU A CG   
4781 C  CD1  . LEU A 343 ? 0.1982 0.2433 0.0219 -0.0323 -0.0010 0.0311  343  LEU A CD1  
4782 C  CD2  . LEU A 343 ? 0.1983 0.2555 0.0434 -0.0234 -0.0094 0.0225  343  LEU A CD2  
4783 H  H    . LEU A 343 ? 0.1551 0.1994 0.0435 -0.0179 0.0077  0.0643  343  LEU A H    
4784 H  HA   . LEU A 343 ? 0.1622 0.2085 0.0802 -0.0116 0.0007  0.0652  343  LEU A HA   
4785 H  HB2  . LEU A 343 ? 0.1669 0.2146 0.0491 -0.0108 -0.0070 0.0506  343  LEU A HB2  
4786 H  HB3  . LEU A 343 ? 0.1656 0.2139 0.0527 -0.0088 -0.0076 0.0529  343  LEU A HB3  
4787 H  HG   . LEU A 343 ? 0.1810 0.2297 0.0376 -0.0191 -0.0062 0.0339  343  LEU A HG   
4788 H  HD11 . LEU A 343 ? 0.1920 0.2390 0.0269 -0.0278 -0.0022 0.0297  343  LEU A HD11 
4789 H  HD12 . LEU A 343 ? 0.1933 0.2382 0.0279 -0.0288 -0.0011 0.0291  343  LEU A HD12 
4790 H  HD13 . LEU A 343 ? 0.1917 0.2371 0.0253 -0.0278 -0.0022 0.0293  343  LEU A HD13 
4791 H  HD21 . LEU A 343 ? 0.1947 0.2456 0.0432 -0.0215 -0.0092 0.0247  343  LEU A HD21 
4792 H  HD22 . LEU A 343 ? 0.1937 0.2474 0.0432 -0.0231 -0.0072 0.0231  343  LEU A HD22 
4793 H  HD23 . LEU A 343 ? 0.1928 0.2483 0.0423 -0.0209 -0.0082 0.0245  343  LEU A HD23 
4794 N  N    . SER A 344 ? 0.1822 0.2160 0.1892 0.0018  0.0431  0.1063  344  SER A N    
4795 C  CA   . SER A 344 ? 0.1885 0.2180 0.2016 -0.0073 0.0507  0.1108  344  SER A CA   
4796 C  C    . SER A 344 ? 0.2018 0.1824 0.2278 -0.0090 0.0616  0.0931  344  SER A C    
4797 O  O    . SER A 344 ? 0.1866 0.1870 0.2050 -0.0057 0.0657  0.0749  344  SER A O    
4798 C  CB   . SER A 344 ? 0.2032 0.2462 0.2082 0.0032  0.0611  0.1346  344  SER A CB   
4799 O  OG   . SER A 344 ? 0.2059 0.2933 0.2196 0.0025  0.0587  0.1572  344  SER A OG   
4800 H  H    . SER A 344 ? 0.1840 0.2147 0.1759 -0.0011 0.0423  0.1001  344  SER A H    
4801 H  HA   . SER A 344 ? 0.1893 0.2148 0.2046 -0.0046 0.0523  0.1101  344  SER A HA   
4802 H  HB2  . SER A 344 ? 0.1998 0.2478 0.2085 0.0006  0.0582  0.1336  344  SER A HB2  
4803 H  HB3  . SER A 344 ? 0.1996 0.2474 0.2078 0.0007  0.0585  0.1333  344  SER A HB3  
4804 H  HG   . SER A 344 ? 0.2448 0.2448 0.2448 0.0000  0.0000  0.0000  344  SER A HG   
4805 N  N    . ASP A 345 ? 0.1904 0.1991 0.2689 -0.0249 0.0588  0.0685  345  ASP A N    
4806 C  CA   . ASP A 345 ? 0.1777 0.2023 0.2864 -0.0132 0.0472  0.0756  345  ASP A CA   
4807 C  C    . ASP A 345 ? 0.1770 0.1873 0.2534 -0.0084 0.0481  0.0789  345  ASP A C    
4808 O  O    . ASP A 345 ? 0.1792 0.1931 0.2091 -0.0167 0.0473  0.0750  345  ASP A O    
4809 C  CB   . ASP A 345 ? 0.1932 0.1974 0.3579 -0.0192 0.0217  0.0578  345  ASP A CB   
4810 C  CG   . ASP A 345 ? 0.2301 0.2240 0.4423 -0.0178 0.0000  0.0307  345  ASP A CG   
4811 O  OD1  . ASP A 345 ? 0.2549 0.2273 0.4794 -0.0270 -0.0383 0.0242  345  ASP A OD1  
4812 O  OD2  . ASP A 345 ? 0.3355 0.2531 0.5843 -0.0634 -0.0476 0.0588  345  ASP A OD2  
4813 H  H    . ASP A 345 ? 0.1893 0.1956 0.2628 -0.0189 0.0570  0.0769  345  ASP A H    
4814 H  HA   . ASP A 345 ? 0.1831 0.1973 0.2872 -0.0154 0.0449  0.0727  345  ASP A HA   
4815 H  HB2  . ASP A 345 ? 0.1962 0.2038 0.3551 -0.0173 0.0242  0.0572  345  ASP A HB2  
4816 H  HB3  . ASP A 345 ? 0.1964 0.2038 0.3549 -0.0175 0.0240  0.0575  345  ASP A HB3  
4817 N  N    . GLU A 346 ? 0.1934 0.2107 0.2243 -0.0112 0.0729  0.0922  346  GLU A N    
4818 C  CA   . GLU A 346 ? 0.2051 0.2299 0.2051 0.0108  0.0428  0.0939  346  GLU A CA   
4819 C  C    . GLU A 346 ? 0.1766 0.2364 0.1589 0.0117  0.0231  0.0916  346  GLU A C    
4820 O  O    . GLU A 346 ? 0.1742 0.2146 0.1553 0.0087  0.0419  0.0818  346  GLU A O    
4821 C  CB   . GLU A 346 ? 0.2620 0.2769 0.2319 0.0237  0.0478  0.1231  346  GLU A CB   
4822 C  CG   . GLU A 346 ? 0.3344 0.3458 0.2779 0.0137  0.0177  0.1517  346  GLU A CG   
4823 C  CD   . GLU A 346 ? 0.3917 0.4102 0.3188 0.0165  0.0228  0.1982  346  GLU A CD   
4824 O  OE1  . GLU A 346 ? 0.4944 0.5487 0.4089 0.0028  0.0947  0.1984  346  GLU A OE1  
4825 O  OE2  . GLU A 346 ? 0.4325 0.5699 0.5270 0.0571  -0.0645 0.1656  346  GLU A OE2  
4826 H  H    . GLU A 346 ? 0.1852 0.2084 0.2226 -0.0076 0.0664  0.0912  346  GLU A H    
4827 H  HA   . GLU A 346 ? 0.2025 0.2326 0.2016 0.0085  0.0457  0.0971  346  GLU A HA   
4828 H  HB2  . GLU A 346 ? 0.2560 0.2763 0.2308 0.0202  0.0414  0.1208  346  GLU A HB2  
4829 H  HB3  . GLU A 346 ? 0.2549 0.2728 0.2303 0.0191  0.0414  0.1202  346  GLU A HB3  
4830 H  HG2  . GLU A 346 ? 0.3200 0.3366 0.2700 0.0179  0.0266  0.1534  346  GLU A HG2  
4831 H  HG3  . GLU A 346 ? 0.3233 0.3361 0.2753 0.0154  0.0232  0.1553  346  GLU A HG3  
4832 N  N    . GLU A 347 ? 0.1831 0.2215 0.1091 -0.0031 0.0289  0.1019  347  GLU A N    
4833 C  CA   . GLU A 347 ? 0.1767 0.2412 0.0884 -0.0076 0.0244  0.0708  347  GLU A CA   
4834 C  C    . GLU A 347 ? 0.1635 0.2082 0.0709 -0.0066 0.0073  0.0573  347  GLU A C    
4835 O  O    . GLU A 347 ? 0.1489 0.2013 0.1028 -0.0086 -0.0011 0.0511  347  GLU A O    
4836 C  CB   . GLU A 347 ? 0.1817 0.2550 0.0955 -0.0056 0.0546  0.0840  347  GLU A CB   
4837 C  CG   . GLU A 347 ? 0.2281 0.2834 0.0940 0.0008  0.0652  0.0970  347  GLU A CG   
4838 C  CD   . GLU A 347 ? 0.2542 0.3576 0.0828 0.0312  0.0764  0.1207  347  GLU A CD   
4839 O  OE1  . GLU A 347 ? 0.2663 0.3365 0.1151 0.0488  0.0275  0.1043  347  GLU A OE1  
4840 O  OE2  . GLU A 347 ? 0.3728 0.4775 0.0998 0.0503  0.0126  0.0844  347  GLU A OE2  
4841 H  H    . GLU A 347 ? 0.1800 0.2299 0.1145 -0.0010 0.0275  0.0924  347  GLU A H    
4842 H  HA   . GLU A 347 ? 0.1755 0.2328 0.0897 -0.0057 0.0267  0.0762  347  GLU A HA   
4843 H  HB2  . GLU A 347 ? 0.1872 0.2553 0.0931 -0.0046 0.0484  0.0834  347  GLU A HB2  
4844 H  HB3  . GLU A 347 ? 0.1878 0.2546 0.0932 -0.0049 0.0491  0.0835  347  GLU A HB3  
4845 H  HG2  . GLU A 347 ? 0.2196 0.2860 0.0930 0.0058  0.0651  0.0986  347  GLU A HG2  
4846 H  HG3  . GLU A 347 ? 0.2180 0.2846 0.0928 0.0052  0.0644  0.0984  347  GLU A HG3  
4847 N  N    . ARG A 348 ? 0.1360 0.1955 0.0792 -0.0241 0.0186  0.0656  348  ARG A N    
4848 C  CA   . ARG A 348 ? 0.1602 0.1629 0.0734 -0.0287 0.0211  0.0538  348  ARG A CA   
4849 C  C    . ARG A 348 ? 0.1552 0.1591 0.0895 -0.0325 0.0091  0.0427  348  ARG A C    
4850 O  O    . ARG A 348 ? 0.1629 0.1589 0.0557 -0.0251 0.0112  0.0357  348  ARG A O    
4851 C  CB   . ARG A 348 ? 0.1681 0.1650 0.0888 -0.0224 0.0162  0.0533  348  ARG A CB   
4852 C  CG   . ARG A 348 ? 0.1893 0.1655 0.0832 -0.0183 0.0115  0.0552  348  ARG A CG   
4853 C  CD   . ARG A 348 ? 0.1815 0.1909 0.1046 -0.0194 0.0065  0.0520  348  ARG A CD   
4854 N  NE   . ARG A 348 ? 0.1780 0.2022 0.1401 -0.0288 -0.0081 0.0336  348  ARG A NE   
4855 C  CZ   . ARG A 348 ? 0.1796 0.1722 0.1691 -0.0147 0.0098  0.0368  348  ARG A CZ   
4856 N  NH1  . ARG A 348 ? 0.1846 0.1768 0.1821 -0.0187 0.0202  0.0183  348  ARG A NH1  
4857 N  NH2  . ARG A 348 ? 0.1818 0.1908 0.2028 -0.0285 0.0098  0.0415  348  ARG A NH2  
4858 H  H    . ARG A 348 ? 0.1415 0.1885 0.0757 -0.0243 0.0188  0.0621  348  ARG A H    
4859 H  HA   . ARG A 348 ? 0.1563 0.1659 0.0803 -0.0279 0.0173  0.0538  348  ARG A HA   
4860 H  HB2  . ARG A 348 ? 0.1705 0.1651 0.0845 -0.0229 0.0162  0.0538  348  ARG A HB2  
4861 H  HB3  . ARG A 348 ? 0.1707 0.1648 0.0873 -0.0230 0.0155  0.0537  348  ARG A HB3  
4862 H  HG2  . ARG A 348 ? 0.1821 0.1698 0.0883 -0.0199 0.0119  0.0542  348  ARG A HG2  
4863 H  HG3  . ARG A 348 ? 0.1821 0.1704 0.0859 -0.0197 0.0128  0.0544  348  ARG A HG3  
4864 H  HD2  . ARG A 348 ? 0.1823 0.1871 0.1051 -0.0212 0.0056  0.0488  348  ARG A HD2  
4865 H  HD3  . ARG A 348 ? 0.1828 0.1874 0.1081 -0.0213 0.0050  0.0485  348  ARG A HD3  
4866 H  HE   . ARG A 348 ? 0.1793 0.1940 0.1393 -0.0234 -0.0002 0.0399  348  ARG A HE   
4867 H  HH11 . ARG A 348 ? 0.1828 0.1757 0.1765 -0.0177 0.0166  0.0248  348  ARG A HH11 
4868 H  HH12 . ARG A 348 ? 0.1827 0.1756 0.1779 -0.0176 0.0169  0.0245  348  ARG A HH12 
4869 H  HH21 . ARG A 348 ? 0.1830 0.1853 0.1929 -0.0239 0.0080  0.0400  348  ARG A HH21 
4870 H  HH22 . ARG A 348 ? 0.1819 0.1883 0.1922 -0.0251 0.0085  0.0421  348  ARG A HH22 
4871 N  N    . SER A 349 ? 0.1658 0.1576 0.0734 -0.0295 0.0175  0.0328  349  SER A N    
4872 C  CA   . SER A 349 ? 0.1688 0.1702 0.0953 -0.0209 0.0252  0.0219  349  SER A CA   
4873 C  C    . SER A 349 ? 0.1634 0.1523 0.0719 -0.0100 0.0180  0.0447  349  SER A C    
4874 O  O    . SER A 349 ? 0.1613 0.1454 0.0695 -0.0142 0.0190  0.0211  349  SER A O    
4875 C  CB   . SER A 349 ? 0.2106 0.1752 0.1493 -0.0185 0.0282  0.0178  349  SER A CB   
4876 O  OG   . SER A 349 ? 0.2600 0.1832 0.2194 -0.0245 0.0427  0.0085  349  SER A OG   
4877 H  H    . SER A 349 ? 0.1628 0.1604 0.0812 -0.0291 0.0186  0.0338  349  SER A H    
4878 H  HA   . SER A 349 ? 0.1730 0.1648 0.0956 -0.0203 0.0223  0.0281  349  SER A HA   
4879 H  HB2  . SER A 349 ? 0.2069 0.1751 0.1449 -0.0197 0.0309  0.0175  349  SER A HB2  
4880 H  HB3  . SER A 349 ? 0.2054 0.1750 0.1476 -0.0200 0.0298  0.0174  349  SER A HB3  
4881 H  HG   . SER A 349 ? 0.2331 0.2331 0.2331 0.0000  0.0000  0.0000  349  SER A HG   
4882 N  N    . ASP A 350 ? 0.1556 0.1627 0.0766 -0.0177 0.0112  0.0435  350  ASP A N    
4883 C  CA   . ASP A 350 ? 0.1563 0.1650 0.0667 -0.0150 0.0062  0.0378  350  ASP A CA   
4884 C  C    . ASP A 350 ? 0.1422 0.1573 0.0574 -0.0056 0.0012  0.0323  350  ASP A C    
4885 O  O    . ASP A 350 ? 0.1325 0.1608 0.0960 0.0000  0.0046  0.0460  350  ASP A O    
4886 C  CB   . ASP A 350 ? 0.1751 0.1847 0.0648 -0.0100 0.0106  0.0457  350  ASP A CB   
4887 C  CG   . ASP A 350 ? 0.2080 0.1947 0.0995 -0.0040 0.0243  0.0503  350  ASP A CG   
4888 O  OD1  . ASP A 350 ? 0.2647 0.1788 0.1471 0.0071  -0.0194 0.0535  350  ASP A OD1  
4889 O  OD2  . ASP A 350 ? 0.2858 0.2357 0.1111 -0.0307 0.0119  0.0776  350  ASP A OD2  
4890 H  H    . ASP A 350 ? 0.1579 0.1612 0.0732 -0.0153 0.0118  0.0424  350  ASP A H    
4891 H  HA   . ASP A 350 ? 0.1572 0.1662 0.0668 -0.0128 0.0068  0.0393  350  ASP A HA   
4892 H  HB2  . ASP A 350 ? 0.1754 0.1807 0.0709 -0.0102 0.0121  0.0447  350  ASP A HB2  
4893 H  HB3  . ASP A 350 ? 0.1751 0.1808 0.0708 -0.0099 0.0122  0.0447  350  ASP A HB3  
4894 N  N    . MET A 351 ? 0.1421 0.1486 0.0584 -0.0038 0.0012  0.0370  351  MET A N    
4895 C  CA   . MET A 351 ? 0.1373 0.1429 0.0386 -0.0197 -0.0059 0.0253  351  MET A CA   
4896 C  C    . MET A 351 ? 0.1217 0.1394 0.0406 -0.0165 -0.0054 0.0215  351  MET A C    
4897 O  O    . MET A 351 ? 0.1345 0.1367 0.0513 -0.0227 -0.0058 0.0240  351  MET A O    
4898 C  CB   . MET A 351 ? 0.1313 0.1426 0.0410 -0.0261 -0.0019 0.0229  351  MET A CB   
4899 C  CG   . MET A 351 ? 0.1340 0.1472 0.0267 -0.0228 -0.0129 0.0275  351  MET A CG   
4900 S  SD   . MET A 351 ? 0.1534 0.1559 0.0546 -0.0076 -0.0187 0.0196  351  MET A SD   
4901 C  CE   . MET A 351 ? 0.1501 0.1496 0.0561 -0.0144 0.0042  0.0361  351  MET A CE   
4902 H  H    . MET A 351 ? 0.1419 0.1491 0.0529 -0.0080 -0.0007 0.0330  351  MET A H    
4903 H  HA   . MET A 351 ? 0.1328 0.1426 0.0421 -0.0179 -0.0043 0.0259  351  MET A HA   
4904 H  HB2  . MET A 351 ? 0.1335 0.1438 0.0377 -0.0238 -0.0054 0.0246  351  MET A HB2  
4905 H  HB3  . MET A 351 ? 0.1335 0.1439 0.0373 -0.0238 -0.0052 0.0246  351  MET A HB3  
4906 H  HG2  . MET A 351 ? 0.1354 0.1472 0.0294 -0.0213 -0.0099 0.0248  351  MET A HG2  
4907 H  HG3  . MET A 351 ? 0.1347 0.1467 0.0326 -0.0220 -0.0119 0.0244  351  MET A HG3  
4908 H  HE1  . MET A 351 ? 0.1517 0.1507 0.0556 -0.0124 -0.0010 0.0325  351  MET A HE1  
4909 H  HE2  . MET A 351 ? 0.1509 0.1484 0.0548 -0.0130 -0.0012 0.0334  351  MET A HE2  
4910 H  HE3  . MET A 351 ? 0.1510 0.1505 0.0554 -0.0127 -0.0013 0.0324  351  MET A HE3  
4911 N  N    . ARG A 352 ? 0.1342 0.1440 0.0417 -0.0188 0.0032  0.0087  352  ARG A N    
4912 C  CA   . ARG A 352 ? 0.1432 0.1396 0.0473 -0.0102 -0.0002 0.0091  352  ARG A CA   
4913 C  C    . ARG A 352 ? 0.1327 0.1297 0.0482 -0.0167 0.0090  0.0145  352  ARG A C    
4914 O  O    . ARG A 352 ? 0.1365 0.1359 0.0474 -0.0101 0.0118  0.0094  352  ARG A O    
4915 C  CB   . ARG A 352 ? 0.1453 0.1323 0.0552 -0.0075 -0.0058 0.0122  352  ARG A CB   
4916 C  CG   . ARG A 352 ? 0.1594 0.1424 0.0571 0.0006  -0.0071 0.0062  352  ARG A CG   
4917 C  CD   . ARG A 352 ? 0.1578 0.1476 0.0730 -0.0042 -0.0046 0.0098  352  ARG A CD   
4918 N  NE   . ARG A 352 ? 0.1671 0.1681 0.1029 0.0125  0.0039  -0.0095 352  ARG A NE   
4919 C  CZ   . ARG A 352 ? 0.1514 0.1656 0.0897 -0.0051 0.0107  -0.0041 352  ARG A CZ   
4920 N  NH1  . ARG A 352 ? 0.1580 0.1910 0.0659 -0.0020 0.0069  0.0074  352  ARG A NH1  
4921 N  NH2  . ARG A 352 ? 0.1490 0.1888 0.0868 0.0080  0.0000  -0.0096 352  ARG A NH2  
4922 H  H    . ARG A 352 ? 0.1325 0.1417 0.0426 -0.0166 0.0004  0.0124  352  ARG A H    
4923 H  HA   . ARG A 352 ? 0.1396 0.1387 0.0481 -0.0127 0.0011  0.0100  352  ARG A HA   
4924 H  HB2  . ARG A 352 ? 0.1470 0.1356 0.0537 -0.0061 -0.0048 0.0105  352  ARG A HB2  
4925 H  HB3  . ARG A 352 ? 0.1475 0.1341 0.0531 -0.0066 -0.0046 0.0113  352  ARG A HB3  
4926 H  HG2  . ARG A 352 ? 0.1557 0.1414 0.0607 -0.0021 -0.0061 0.0083  352  ARG A HG2  
4927 H  HG3  . ARG A 352 ? 0.1559 0.1428 0.0603 -0.0014 -0.0066 0.0076  352  ARG A HG3  
4928 H  HD2  . ARG A 352 ? 0.1598 0.1505 0.0747 -0.0002 -0.0029 0.0051  352  ARG A HD2  
4929 H  HD3  . ARG A 352 ? 0.1592 0.1477 0.0749 -0.0015 -0.0024 0.0060  352  ARG A HD3  
4930 H  HE   . ARG A 352 ? 0.1607 0.1618 0.0908 0.0038  0.0031  -0.0031 352  ARG A HE   
4931 H  HH11 . ARG A 352 ? 0.1554 0.1821 0.0724 -0.0028 0.0084  0.0045  352  ARG A HH11 
4932 H  HH12 . ARG A 352 ? 0.1556 0.1816 0.0707 -0.0022 0.0074  0.0057  352  ARG A HH12 
4933 H  HH21 . ARG A 352 ? 0.1501 0.1811 0.0869 0.0036  0.0030  -0.0081 352  ARG A HH21 
4934 H  HH22 . ARG A 352 ? 0.1504 0.1809 0.0874 0.0039  0.0033  -0.0079 352  ARG A HH22 
4935 N  N    . ARG A 353 ? 0.1395 0.1301 0.0502 -0.0127 0.0114  0.0194  353  ARG A N    
4936 C  CA   . ARG A 353 ? 0.1525 0.1375 0.0560 -0.0086 0.0076  0.0156  353  ARG A CA   
4937 C  C    . ARG A 353 ? 0.1415 0.1375 0.0580 -0.0039 0.0012  0.0205  353  ARG A C    
4938 O  O    . ARG A 353 ? 0.1407 0.1407 0.0577 -0.0151 0.0039  0.0151  353  ARG A O    
4939 C  CB   . ARG A 353 ? 0.1775 0.1530 0.0762 -0.0024 -0.0072 0.0232  353  ARG A CB   
4940 C  CG   . ARG A 353 ? 0.1999 0.1692 0.0925 -0.0092 -0.0130 0.0214  353  ARG A CG   
4941 C  CD   . ARG A 353 ? 0.2346 0.1903 0.1054 -0.0023 -0.0189 0.0296  353  ARG A CD   
4942 N  NE   . ARG A 353 ? 0.2586 0.2016 0.1277 -0.0020 -0.0251 0.0427  353  ARG A NE   
4943 C  CZ   . ARG A 353 ? 0.3056 0.2645 0.1751 0.0330  -0.0569 0.0644  353  ARG A CZ   
4944 N  NH1  . ARG A 353 ? 0.3384 0.2766 0.2262 0.0039  -0.0255 0.0704  353  ARG A NH1  
4945 N  NH2  . ARG A 353 ? 0.3091 0.3151 0.2577 0.0629  -0.0804 0.0466  353  ARG A NH2  
4946 H  H    . ARG A 353 ? 0.1394 0.1315 0.0499 -0.0132 0.0109  0.0178  353  ARG A H    
4947 H  HA   . ARG A 353 ? 0.1510 0.1372 0.0559 -0.0073 0.0053  0.0172  353  ARG A HA   
4948 H  HB2  . ARG A 353 ? 0.1748 0.1524 0.0754 -0.0058 -0.0051 0.0221  353  ARG A HB2  
4949 H  HB3  . ARG A 353 ? 0.1754 0.1524 0.0743 -0.0055 -0.0047 0.0213  353  ARG A HB3  
4950 H  HG2  . ARG A 353 ? 0.2002 0.1687 0.0910 -0.0062 -0.0127 0.0237  353  ARG A HG2  
4951 H  HG3  . ARG A 353 ? 0.2003 0.1684 0.0903 -0.0063 -0.0123 0.0235  353  ARG A HG3  
4952 H  HD2  . ARG A 353 ? 0.2301 0.1885 0.1061 -0.0028 -0.0185 0.0306  353  ARG A HD2  
4953 H  HD3  . ARG A 353 ? 0.2298 0.1875 0.1065 -0.0035 -0.0185 0.0307  353  ARG A HD3  
4954 H  HE   . ARG A 353 ? 0.2554 0.2070 0.1266 0.0045  -0.0281 0.0430  353  ARG A HE   
4955 H  HH11 . ARG A 353 ? 0.3319 0.2691 0.2083 0.0134  -0.0324 0.0672  353  ARG A HH11 
4956 H  HH12 . ARG A 353 ? 0.3255 0.2703 0.2223 0.0131  -0.0295 0.0670  353  ARG A HH12 
4957 H  HH21 . ARG A 353 ? 0.3109 0.2994 0.2426 0.0500  -0.0688 0.0453  353  ARG A HH21 
4958 H  HH22 . ARG A 353 ? 0.3142 0.2954 0.2353 0.0532  -0.0775 0.0486  353  ARG A HH22 
4959 N  N    . PHE A 354 ? 0.1430 0.1315 0.0558 -0.0039 0.0006  0.0204  354  PHE A N    
4960 C  CA   . PHE A 354 ? 0.1382 0.1446 0.0383 -0.0081 -0.0029 0.0170  354  PHE A CA   
4961 C  C    . PHE A 354 ? 0.1339 0.1324 0.0336 -0.0107 -0.0039 0.0086  354  PHE A C    
4962 O  O    . PHE A 354 ? 0.1219 0.1436 0.0318 -0.0027 0.0018  0.0138  354  PHE A O    
4963 C  CB   . PHE A 354 ? 0.1388 0.1398 0.0322 -0.0085 -0.0014 0.0192  354  PHE A CB   
4964 C  CG   . PHE A 354 ? 0.1434 0.1421 0.0264 -0.0098 0.0003  0.0309  354  PHE A CG   
4965 C  CD1  . PHE A 354 ? 0.1507 0.1509 0.0318 -0.0041 -0.0096 0.0272  354  PHE A CD1  
4966 C  CD2  . PHE A 354 ? 0.1436 0.1497 0.0110 -0.0083 0.0013  0.0201  354  PHE A CD2  
4967 C  CE1  . PHE A 354 ? 0.1595 0.1572 0.0288 -0.0093 -0.0079 0.0272  354  PHE A CE1  
4968 C  CE2  . PHE A 354 ? 0.1466 0.1540 0.0243 -0.0110 0.0041  0.0175  354  PHE A CE2  
4969 C  CZ   . PHE A 354 ? 0.1460 0.1480 0.0194 -0.0117 -0.0040 0.0176  354  PHE A CZ   
4970 H  H    . PHE A 354 ? 0.1422 0.1361 0.0520 -0.0049 -0.0002 0.0196  354  PHE A H    
4971 H  HA   . PHE A 354 ? 0.1385 0.1389 0.0394 -0.0079 -0.0020 0.0164  354  PHE A HA   
4972 H  HB2  . PHE A 354 ? 0.1397 0.1420 0.0332 -0.0087 -0.0014 0.0209  354  PHE A HB2  
4973 H  HB3  . PHE A 354 ? 0.1394 0.1415 0.0324 -0.0086 -0.0014 0.0213  354  PHE A HB3  
4974 H  HD1  . PHE A 354 ? 0.1506 0.1496 0.0296 -0.0065 -0.0065 0.0278  354  PHE A HD1  
4975 H  HD2  . PHE A 354 ? 0.1438 0.1488 0.0176 -0.0092 0.0015  0.0220  354  PHE A HD2  
4976 H  HE1  . PHE A 354 ? 0.1560 0.1531 0.0270 -0.0089 -0.0067 0.0247  354  PHE A HE1  
4977 H  HE2  . PHE A 354 ? 0.1460 0.1521 0.0201 -0.0108 0.0013  0.0184  354  PHE A HE2  
4978 H  HZ   . PHE A 354 ? 0.1482 0.1496 0.0223 -0.0120 -0.0033 0.0193  354  PHE A HZ   
4979 N  N    . ILE A 355 ? 0.1296 0.1352 0.0217 -0.0042 -0.0024 0.0157  355  ILE A N    
4980 C  CA   . ILE A 355 ? 0.1374 0.1261 0.0283 -0.0026 0.0015  0.0150  355  ILE A CA   
4981 C  C    . ILE A 355 ? 0.1261 0.1266 0.0416 -0.0009 0.0058  0.0098  355  ILE A C    
4982 O  O    . ILE A 355 ? 0.1265 0.1323 0.0403 -0.0049 0.0101  -0.0016 355  ILE A O    
4983 C  CB   . ILE A 355 ? 0.1351 0.1276 0.0324 -0.0025 -0.0003 0.0063  355  ILE A CB   
4984 C  CG1  . ILE A 355 ? 0.1353 0.1434 0.0274 0.0025  0.0070  0.0109  355  ILE A CG1  
4985 C  CG2  . ILE A 355 ? 0.1535 0.1260 0.0354 -0.0034 -0.0052 0.0055  355  ILE A CG2  
4986 C  CD1  . ILE A 355 ? 0.1323 0.1499 0.0278 -0.0014 0.0146  0.0037  355  ILE A CD1  
4987 H  H    . ILE A 355 ? 0.1318 0.1324 0.0262 -0.0056 -0.0015 0.0140  355  ILE A H    
4988 H  HA   . ILE A 355 ? 0.1332 0.1284 0.0303 -0.0026 0.0012  0.0125  355  ILE A HA   
4989 H  HB   . ILE A 355 ? 0.1384 0.1287 0.0314 -0.0024 0.0005  0.0087  355  ILE A HB   
4990 H  HG12 . ILE A 355 ? 0.1349 0.1419 0.0285 0.0010  0.0068  0.0082  355  ILE A HG12 
4991 H  HG13 . ILE A 355 ? 0.1346 0.1407 0.0268 0.0005  0.0064  0.0090  355  ILE A HG13 
4992 H  HG21 . ILE A 355 ? 0.1484 0.1273 0.0344 -0.0027 -0.0035 0.0058  355  ILE A HG21 
4993 H  HG22 . ILE A 355 ? 0.1481 0.1270 0.0347 -0.0032 -0.0035 0.0060  355  ILE A HG22 
4994 H  HG23 . ILE A 355 ? 0.1492 0.1272 0.0345 -0.0035 -0.0030 0.0057  355  ILE A HG23 
4995 H  HD11 . ILE A 355 ? 0.1335 0.1481 0.0295 -0.0004 0.0126  0.0048  355  ILE A HD11 
4996 H  HD12 . ILE A 355 ? 0.1333 0.1482 0.0281 -0.0002 0.0123  0.0054  355  ILE A HD12 
4997 H  HD13 . ILE A 355 ? 0.1331 0.1476 0.0274 -0.0001 0.0125  0.0050  355  ILE A HD13 
4998 N  N    . GLU A 356 ? 0.1234 0.1342 0.0458 -0.0011 -0.0005 0.0052  356  GLU A N    
4999 C  CA   . GLU A 356 ? 0.1267 0.1438 0.0504 -0.0007 -0.0017 -0.0018 356  GLU A CA   
5000 C  C    . GLU A 356 ? 0.1316 0.1347 0.0574 0.0077  0.0065  0.0054  356  GLU A C    
5001 O  O    . GLU A 356 ? 0.1430 0.1420 0.0418 -0.0043 0.0068  0.0053  356  GLU A O    
5002 C  CB   . GLU A 356 ? 0.1300 0.1384 0.0600 0.0043  0.0019  -0.0006 356  GLU A CB   
5003 C  CG   . GLU A 356 ? 0.1411 0.1451 0.0618 0.0050  -0.0031 -0.0078 356  GLU A CG   
5004 C  CD   . GLU A 356 ? 0.1472 0.1453 0.0991 0.0061  0.0016  -0.0077 356  GLU A CD   
5005 O  OE1  . GLU A 356 ? 0.1760 0.1534 0.0895 0.0088  0.0023  0.0005  356  GLU A OE1  
5006 O  OE2  . GLU A 356 ? 0.1594 0.1438 0.0942 0.0020  -0.0116 -0.0254 356  GLU A OE2  
5007 H  H    . GLU A 356 ? 0.1249 0.1343 0.0455 -0.0010 0.0007  0.0050  356  GLU A H    
5008 H  HA   . GLU A 356 ? 0.1276 0.1395 0.0530 0.0014  0.0009  0.0006  356  GLU A HA   
5009 H  HB2  . GLU A 356 ? 0.1316 0.1410 0.0579 0.0034  0.0000  -0.0024 356  GLU A HB2  
5010 H  HB3  . GLU A 356 ? 0.1315 0.1408 0.0582 0.0037  0.0005  -0.0027 356  GLU A HB3  
5011 H  HG2  . GLU A 356 ? 0.1394 0.1429 0.0673 0.0052  -0.0009 -0.0053 356  GLU A HG2  
5012 H  HG3  . GLU A 356 ? 0.1392 0.1433 0.0678 0.0052  -0.0005 -0.0059 356  GLU A HG3  
5013 N  N    . ALA A 357 ? 0.1353 0.1180 0.0553 -0.0027 0.0056  -0.0021 357  ALA A N    
5014 C  CA   . ALA A 357 ? 0.1292 0.1325 0.0503 -0.0008 0.0082  -0.0008 357  ALA A CA   
5015 C  C    . ALA A 357 ? 0.1304 0.1272 0.0502 0.0084  0.0086  -0.0031 357  ALA A C    
5016 O  O    . ALA A 357 ? 0.1269 0.1422 0.0602 0.0039  0.0147  -0.0094 357  ALA A O    
5017 C  CB   . ALA A 357 ? 0.1450 0.1301 0.0554 0.0006  0.0059  0.0088  357  ALA A CB   
5018 H  H    . ALA A 357 ? 0.1337 0.1250 0.0552 0.0001  0.0057  -0.0001 357  ALA A H    
5019 H  HA   . ALA A 357 ? 0.1336 0.1285 0.0525 0.0006  0.0073  0.0002  357  ALA A HA   
5020 H  HB1  . ALA A 357 ? 0.1420 0.1310 0.0540 0.0000  0.0070  0.0060  357  ALA A HB1  
5021 H  HB2  . ALA A 357 ? 0.1404 0.1308 0.0539 -0.0001 0.0067  0.0060  357  ALA A HB2  
5022 H  HB3  . ALA A 357 ? 0.1407 0.1318 0.0544 -0.0005 0.0063  0.0065  357  ALA A HB3  
5023 N  N    . GLN A 358 ? 0.1162 0.1322 0.0477 0.0023  0.0112  -0.0066 358  GLN A N    
5024 C  CA   . GLN A 358 ? 0.1268 0.1321 0.0285 -0.0024 0.0126  -0.0071 358  GLN A CA   
5025 C  C    . GLN A 358 ? 0.1219 0.1282 0.0293 -0.0002 0.0173  -0.0037 358  GLN A C    
5026 O  O    . GLN A 358 ? 0.1268 0.1310 0.0374 -0.0067 0.0165  -0.0102 358  GLN A O    
5027 C  CB   . GLN A 358 ? 0.1118 0.1298 0.0116 0.0025  0.0043  -0.0009 358  GLN A CB   
5028 C  CG   . GLN A 358 ? 0.1184 0.1313 0.0126 0.0064  -0.0016 0.0053  358  GLN A CG   
5029 C  CD   . GLN A 358 ? 0.1178 0.1257 0.0090 0.0090  0.0033  0.0179  358  GLN A CD   
5030 O  OE1  . GLN A 358 ? 0.1336 0.1720 0.0249 -0.0011 0.0072  0.0295  358  GLN A OE1  
5031 N  NE2  . GLN A 358 ? 0.0944 0.1166 0.0078 0.0116  0.0081  0.0101  358  GLN A NE2  
5032 H  H    . GLN A 358 ? 0.1202 0.1310 0.0428 0.0024  0.0117  -0.0056 358  GLN A H    
5033 H  HA   . GLN A 358 ? 0.1229 0.1311 0.0289 0.0001  0.0123  -0.0048 358  GLN A HA   
5034 H  HB2  . GLN A 358 ? 0.1145 0.1304 0.0152 0.0020  0.0045  -0.0006 358  GLN A HB2  
5035 H  HB3  . GLN A 358 ? 0.1160 0.1302 0.0152 0.0022  0.0048  -0.0004 358  GLN A HB3  
5036 H  HG2  . GLN A 358 ? 0.1168 0.1298 0.0101 0.0064  0.0011  0.0070  358  GLN A HG2  
5037 H  HG3  . GLN A 358 ? 0.1167 0.1310 0.0106 0.0063  0.0009  0.0065  358  GLN A HG3  
5038 H  HE21 . GLN A 358 ? 0.0979 0.1188 0.0080 0.0104  0.0076  0.0120  358  GLN A HE21 
5039 H  HE22 . GLN A 358 ? 0.0987 0.1175 0.0079 0.0121  0.0079  0.0111  358  GLN A HE22 
5040 N  N    . LEU A 359 ? 0.1236 0.1301 0.0304 -0.0035 0.0133  -0.0005 359  LEU A N    
5041 C  CA   . LEU A 359 ? 0.1290 0.1397 0.0322 -0.0005 0.0173  0.0042  359  LEU A CA   
5042 C  C    . LEU A 359 ? 0.1369 0.1363 0.0406 0.0039  0.0139  -0.0029 359  LEU A C    
5043 O  O    . LEU A 359 ? 0.1386 0.1525 0.0378 0.0081  0.0158  -0.0051 359  LEU A O    
5044 C  CB   . LEU A 359 ? 0.1316 0.1484 0.0460 -0.0062 0.0142  0.0053  359  LEU A CB   
5045 C  CG   . LEU A 359 ? 0.1369 0.1565 0.0760 -0.0020 0.0072  -0.0124 359  LEU A CG   
5046 C  CD1  . LEU A 359 ? 0.1502 0.1729 0.0963 -0.0091 -0.0028 -0.0110 359  LEU A CD1  
5047 C  CD2  . LEU A 359 ? 0.1361 0.1711 0.0876 0.0038  0.0020  -0.0025 359  LEU A CD2  
5048 H  H    . LEU A 359 ? 0.1241 0.1318 0.0311 -0.0022 0.0151  -0.0004 359  LEU A H    
5049 H  HA   . LEU A 359 ? 0.1297 0.1386 0.0360 -0.0013 0.0153  0.0020  359  LEU A HA   
5050 H  HB2  . LEU A 359 ? 0.1320 0.1473 0.0480 -0.0039 0.0136  0.0016  359  LEU A HB2  
5051 H  HB3  . LEU A 359 ? 0.1320 0.1476 0.0458 -0.0039 0.0139  0.0016  359  LEU A HB3  
5052 H  HG   . LEU A 359 ? 0.1376 0.1594 0.0764 -0.0029 0.0058  -0.0070 359  LEU A HG   
5053 H  HD11 . LEU A 359 ? 0.1493 0.1683 0.0907 -0.0078 -0.0011 -0.0112 359  LEU A HD11 
5054 H  HD12 . LEU A 359 ? 0.1466 0.1686 0.0936 -0.0070 -0.0001 -0.0125 359  LEU A HD12 
5055 H  HD13 . LEU A 359 ? 0.1466 0.1702 0.0903 -0.0073 0.0001  -0.0115 359  LEU A HD13 
5056 H  HD21 . LEU A 359 ? 0.1372 0.1664 0.0846 0.0027  0.0046  -0.0047 359  LEU A HD21 
5057 H  HD22 . LEU A 359 ? 0.1368 0.1661 0.0858 0.0023  0.0031  -0.0058 359  LEU A HD22 
5058 H  HD23 . LEU A 359 ? 0.1365 0.1663 0.0844 0.0022  0.0037  -0.0055 359  LEU A HD23 
5059 N  N    . ASP A 360 ? 0.1466 0.1369 0.0538 0.0048  0.0170  0.0034  360  ASP A N    
5060 C  CA   . ASP A 360 ? 0.1594 0.1517 0.0858 0.0066  0.0105  -0.0112 360  ASP A CA   
5061 C  C    . ASP A 360 ? 0.1499 0.1492 0.0772 0.0051  0.0073  -0.0028 360  ASP A C    
5062 O  O    . ASP A 360 ? 0.1484 0.1796 0.1160 -0.0060 0.0278  -0.0276 360  ASP A O    
5063 C  CB   . ASP A 360 ? 0.1671 0.1649 0.1233 0.0026  0.0196  -0.0172 360  ASP A CB   
5064 C  CG   . ASP A 360 ? 0.1907 0.1573 0.1241 -0.0060 0.0110  -0.0241 360  ASP A CG   
5065 O  OD1  . ASP A 360 ? 0.2281 0.2060 0.1308 0.0147  -0.0006 -0.0333 360  ASP A OD1  
5066 O  OD2  . ASP A 360 ? 0.2100 0.1887 0.1437 -0.0161 0.0185  -0.0315 360  ASP A OD2  
5067 H  H    . ASP A 360 ? 0.1448 0.1389 0.0542 0.0038  0.0167  0.0001  360  ASP A H    
5068 H  HA   . ASP A 360 ? 0.1559 0.1501 0.0853 0.0053  0.0130  -0.0078 360  ASP A HA   
5069 H  HB2  . ASP A 360 ? 0.1699 0.1596 0.1181 0.0021  0.0145  -0.0178 360  ASP A HB2  
5070 H  HB3  . ASP A 360 ? 0.1691 0.1594 0.1143 0.0024  0.0156  -0.0174 360  ASP A HB3  
5071 N  N    . ALA A 361 ? 0.1360 0.1306 0.0734 0.0073  0.0018  -0.0023 361  ALA A N    
5072 C  CA   . ALA A 361 ? 0.1230 0.1253 0.0787 0.0035  0.0105  0.0087  361  ALA A CA   
5073 C  C    . ALA A 361 ? 0.1295 0.1312 0.0613 0.0123  0.0247  0.0037  361  ALA A C    
5074 O  O    . ALA A 361 ? 0.1206 0.1669 0.0805 0.0193  0.0212  0.0097  361  ALA A O    
5075 C  CB   . ALA A 361 ? 0.1302 0.1302 0.0827 0.0050  -0.0061 0.0153  361  ALA A CB   
5076 H  H    . ALA A 361 ? 0.1371 0.1333 0.0760 0.0060  0.0043  0.0001  361  ALA A H    
5077 H  HA   . ALA A 361 ? 0.1277 0.1282 0.0754 0.0065  0.0087  0.0066  361  ALA A HA   
5078 H  HB1  . ALA A 361 ? 0.1280 0.1292 0.0815 0.0041  -0.0012 0.0133  361  ALA A HB1  
5079 H  HB2  . ALA A 361 ? 0.1286 0.1299 0.0821 0.0045  -0.0011 0.0130  361  ALA A HB2  
5080 H  HB3  . ALA A 361 ? 0.1287 0.1297 0.0816 0.0038  -0.0012 0.0134  361  ALA A HB3  
5081 N  N    . PHE A 362 ? 0.1215 0.1279 0.0546 0.0064  0.0177  0.0076  362  PHE A N    
5082 C  CA   . PHE A 362 ? 0.1334 0.1322 0.0475 -0.0032 0.0225  0.0047  362  PHE A CA   
5083 C  C    . PHE A 362 ? 0.1427 0.1344 0.0500 0.0030  0.0264  0.0037  362  PHE A C    
5084 O  O    . PHE A 362 ? 0.1743 0.1499 0.0796 -0.0145 0.0266  0.0156  362  PHE A O    
5085 C  CB   . PHE A 362 ? 0.1284 0.1251 0.0362 -0.0075 0.0159  0.0080  362  PHE A CB   
5086 C  CG   . PHE A 362 ? 0.1171 0.1252 0.0313 -0.0110 0.0111  0.0116  362  PHE A CG   
5087 C  CD1  . PHE A 362 ? 0.1245 0.1213 0.0406 -0.0118 0.0157  0.0186  362  PHE A CD1  
5088 C  CD2  . PHE A 362 ? 0.1290 0.1382 0.0275 -0.0119 0.0177  0.0102  362  PHE A CD2  
5089 C  CE1  . PHE A 362 ? 0.1273 0.1333 0.0349 -0.0155 -0.0023 0.0127  362  PHE A CE1  
5090 C  CE2  . PHE A 362 ? 0.1353 0.1403 0.0253 -0.0069 0.0169  0.0230  362  PHE A CE2  
5091 C  CZ   . PHE A 362 ? 0.1433 0.1409 0.0288 -0.0067 0.0097  0.0146  362  PHE A CZ   
5092 H  H    . PHE A 362 ? 0.1247 0.1294 0.0543 0.0051  0.0204  0.0062  362  PHE A H    
5093 H  HA   . PHE A 362 ? 0.1318 0.1303 0.0471 -0.0009 0.0211  0.0060  362  PHE A HA   
5094 H  HB2  . PHE A 362 ? 0.1267 0.1265 0.0372 -0.0073 0.0163  0.0083  362  PHE A HB2  
5095 H  HB3  . PHE A 362 ? 0.1265 0.1260 0.0371 -0.0075 0.0162  0.0084  362  PHE A HB3  
5096 H  HD1  . PHE A 362 ? 0.1231 0.1254 0.0369 -0.0118 0.0109  0.0153  362  PHE A HD1  
5097 H  HD2  . PHE A 362 ? 0.1285 0.1353 0.0293 -0.0109 0.0169  0.0130  362  PHE A HD2  
5098 H  HE1  . PHE A 362 ? 0.1280 0.1319 0.0329 -0.0118 0.0030  0.0154  362  PHE A HE1  
5099 H  HE2  . PHE A 362 ? 0.1351 0.1395 0.0266 -0.0080 0.0152  0.0179  362  PHE A HE2  
5100 H  HZ   . PHE A 362 ? 0.1363 0.1382 0.0284 -0.0087 0.0088  0.0160  362  PHE A HZ   
5101 N  N    . GLU A 363 ? 0.1541 0.1396 0.0430 -0.0034 0.0211  -0.0019 363  GLU A N    
5102 C  CA   . GLU A 363 ? 0.1551 0.1526 0.0471 0.0026  0.0259  -0.0064 363  GLU A CA   
5103 C  C    . GLU A 363 ? 0.1582 0.1700 0.0594 0.0084  0.0314  0.0011  363  GLU A C    
5104 O  O    . GLU A 363 ? 0.1698 0.2291 0.0615 0.0134  0.0357  -0.0057 363  GLU A O    
5105 C  CB   . GLU A 363 ? 0.1597 0.1487 0.0402 0.0054  0.0148  -0.0095 363  GLU A CB   
5106 C  CG   . GLU A 363 ? 0.1628 0.1445 0.0487 0.0016  0.0275  -0.0131 363  GLU A CG   
5107 C  CD   . GLU A 363 ? 0.1813 0.1776 0.0526 0.0094  0.0179  -0.0326 363  GLU A CD   
5108 O  OE1  . GLU A 363 ? 0.2099 0.2579 0.1290 0.0408  -0.0153 -0.1068 363  GLU A OE1  
5109 O  OE2  . GLU A 363 ? 0.1705 0.1621 0.0754 0.0136  0.0010  -0.0225 363  GLU A OE2  
5110 H  H    . GLU A 363 ? 0.1510 0.1406 0.0455 -0.0006 0.0235  -0.0012 363  GLU A H    
5111 H  HA   . GLU A 363 ? 0.1563 0.1524 0.0470 0.0028  0.0238  -0.0051 363  GLU A HA   
5112 H  HB2  . GLU A 363 ? 0.1594 0.1488 0.0437 0.0040  0.0201  -0.0097 363  GLU A HB2  
5113 H  HB3  . GLU A 363 ? 0.1596 0.1492 0.0440 0.0041  0.0201  -0.0098 363  GLU A HB3  
5114 H  HG2  . GLU A 363 ? 0.1654 0.1481 0.0465 0.0034  0.0229  -0.0147 363  GLU A HG2  
5115 H  HG3  . GLU A 363 ? 0.1652 0.1513 0.0456 0.0041  0.0231  -0.0159 363  GLU A HG3  
5116 N  N    . LEU A 364 ? 0.1481 0.1841 0.0673 0.0160  0.0405  0.0069  364  LEU A N    
5117 C  CA   . LEU A 364 ? 0.1572 0.1847 0.0965 0.0202  0.0430  0.0075  364  LEU A CA   
5118 C  C    . LEU A 364 ? 0.1579 0.1901 0.1022 0.0176  0.0503  0.0123  364  LEU A C    
5119 O  O    . LEU A 364 ? 0.1681 0.1962 0.1883 0.0179  0.0869  0.0254  364  LEU A O    
5120 C  CB   . LEU A 364 ? 0.1721 0.1896 0.0935 0.0210  0.0382  0.0096  364  LEU A CB   
5121 C  CG   . LEU A 364 ? 0.1998 0.2021 0.1169 0.0146  0.0287  0.0078  364  LEU A CG   
5122 C  CD1  . LEU A 364 ? 0.1915 0.2195 0.1296 0.0169  0.0296  0.0277  364  LEU A CD1  
5123 C  CD2  . LEU A 364 ? 0.2339 0.2153 0.1164 0.0338  0.0338  -0.0002 364  LEU A CD2  
5124 H  H    . LEU A 364 ? 0.1516 0.1791 0.0667 0.0147  0.0401  0.0057  364  LEU A H    
5125 H  HA   . LEU A 364 ? 0.1585 0.1870 0.0905 0.0190  0.0427  0.0087  364  LEU A HA   
5126 H  HB2  . LEU A 364 ? 0.1732 0.1899 0.0979 0.0197  0.0375  0.0079  364  LEU A HB2  
5127 H  HB3  . LEU A 364 ? 0.1726 0.1906 0.0987 0.0196  0.0376  0.0086  364  LEU A HB3  
5128 H  HG   . LEU A 364 ? 0.1992 0.2042 0.1138 0.0193  0.0316  0.0102  364  LEU A HG   
5129 H  HD11 . LEU A 364 ? 0.1938 0.2146 0.1259 0.0162  0.0294  0.0223  364  LEU A HD11 
5130 H  HD12 . LEU A 364 ? 0.1932 0.2146 0.1259 0.0166  0.0295  0.0222  364  LEU A HD12 
5131 H  HD13 . LEU A 364 ? 0.1936 0.2171 0.1272 0.0162  0.0294  0.0243  364  LEU A HD13 
5132 H  HD21 . LEU A 364 ? 0.2231 0.2114 0.1182 0.0276  0.0332  0.0017  364  LEU A HD21 
5133 H  HD22 . LEU A 364 ? 0.2274 0.2116 0.1172 0.0278  0.0314  0.0019  364  LEU A HD22 
5134 H  HD23 . LEU A 364 ? 0.2236 0.2144 0.1177 0.0287  0.0318  0.0008  364  LEU A HD23 
5135 N  N    . LYS A 365 ? 0.1641 0.1765 0.0664 0.0192  0.0266  0.0170  365  LYS A N    
5136 C  CA   . LYS A 365 ? 0.1896 0.1918 0.0430 0.0250  0.0202  -0.0001 365  LYS A CA   
5137 C  C    . LYS A 365 ? 0.2012 0.1653 0.0471 0.0122  0.0154  0.0095  365  LYS A C    
5138 O  O    . LYS A 365 ? 0.3511 0.2268 0.0808 0.0630  -0.0021 -0.0398 365  LYS A O    
5139 C  CB   . LYS A 365 ? 0.1932 0.2041 0.0222 0.0286  0.0109  0.0089  365  LYS A CB   
5140 C  CG   . LYS A 365 ? 0.2327 0.2036 0.0380 0.0251  -0.0090 0.0161  365  LYS A CG   
5141 C  CD   . LYS A 365 ? 0.2440 0.1996 0.0392 0.0033  -0.0043 0.0169  365  LYS A CD   
5142 C  CE   . LYS A 365 ? 0.2991 0.2104 0.0701 -0.0109 0.0062  0.0037  365  LYS A CE   
5143 N  NZ   . LYS A 365 ? 0.3309 0.2346 0.1204 -0.0364 0.0371  -0.0086 365  LYS A NZ   
5144 H  H    . LYS A 365 ? 0.1687 0.1828 0.0681 0.0201  0.0305  0.0120  365  LYS A H    
5145 H  HA   . LYS A 365 ? 0.1874 0.1862 0.0451 0.0224  0.0196  0.0067  365  LYS A HA   
5146 H  HB2  . LYS A 365 ? 0.1980 0.1995 0.0289 0.0276  0.0085  0.0093  365  LYS A HB2  
5147 H  HB3  . LYS A 365 ? 0.1962 0.2003 0.0299 0.0279  0.0104  0.0081  365  LYS A HB3  
5148 H  HG2  . LYS A 365 ? 0.2254 0.2032 0.0364 0.0215  -0.0027 0.0157  365  LYS A HG2  
5149 H  HG3  . LYS A 365 ? 0.2246 0.2019 0.0339 0.0221  -0.0036 0.0157  365  LYS A HG3  
5150 H  HD2  . LYS A 365 ? 0.2506 0.2019 0.0406 0.0061  -0.0036 0.0133  365  LYS A HD2  
5151 H  HD3  . LYS A 365 ? 0.2509 0.2008 0.0434 0.0067  -0.0039 0.0150  365  LYS A HD3  
5152 H  HE2  . LYS A 365 ? 0.2857 0.2105 0.0689 -0.0117 0.0098  0.0050  365  LYS A HE2  
5153 H  HE3  . LYS A 365 ? 0.2854 0.2108 0.0688 -0.0119 0.0098  0.0047  365  LYS A HE3  
5154 H  HZ1  . LYS A 365 ? 0.3218 0.2330 0.1071 -0.0313 0.0293  -0.0072 365  LYS A HZ1  
5155 H  HZ2  . LYS A 365 ? 0.3203 0.2280 0.1162 -0.0278 0.0293  -0.0022 365  LYS A HZ2  
5156 H  HZ3  . LYS A 365 ? 0.3202 0.2279 0.1055 -0.0279 0.0276  -0.0043 365  LYS A HZ3  
5157 N  N    . SER A 366 ? 0.1611 0.2014 0.0354 0.0163  0.0128  -0.0075 366  SER A N    
5158 C  CA   . SER A 366 ? 0.1382 0.1698 0.0425 0.0052  0.0016  -0.0173 366  SER A CA   
5159 C  C    . SER A 366 ? 0.1309 0.1682 0.0138 0.0018  0.0022  -0.0112 366  SER A C    
5160 O  O    . SER A 366 ? 0.1321 0.1720 0.0695 0.0029  -0.0105 0.0138  366  SER A O    
5161 C  CB   . SER A 366 ? 0.1464 0.1775 0.0801 0.0023  0.0130  -0.0262 366  SER A CB   
5162 O  OG   . SER A 366 ? 0.1334 0.1693 0.0997 -0.0050 0.0028  -0.0396 366  SER A OG   
5163 H  H    . SER A 366 ? 0.1622 0.1848 0.0360 0.0131  0.0111  -0.0069 366  SER A H    
5164 H  HA   . SER A 366 ? 0.1427 0.1759 0.0410 0.0061  0.0057  -0.0155 366  SER A HA   
5165 H  HB2  . SER A 366 ? 0.1414 0.1737 0.0755 0.0009  0.0075  -0.0262 366  SER A HB2  
5166 H  HB3  . SER A 366 ? 0.1429 0.1754 0.0786 0.0009  0.0085  -0.0277 366  SER A HB3  
5167 H  HG   . SER A 366 ? 0.1375 0.1375 0.1375 0.0000  0.0000  0.0000  366  SER A HG   
5168 N  N    . GLY A 367 ? 0.1205 0.1796 0.0199 0.0110  0.0035  -0.0073 367  GLY A N    
5169 C  CA   . GLY A 367 ? 0.1233 0.1539 0.0144 -0.0030 0.0045  -0.0224 367  GLY A CA   
5170 C  C    . GLY A 367 ? 0.1167 0.1396 0.0079 0.0010  0.0121  -0.0056 367  GLY A C    
5171 O  O    . GLY A 367 ? 0.1103 0.1414 0.0180 0.0033  0.0142  -0.0083 367  GLY A O    
5172 H  H    . GLY A 367 ? 0.1236 0.1696 0.0161 0.0062  0.0027  -0.0110 367  GLY A H    
5173 H  HA2  . GLY A 367 ? 0.1213 0.1547 0.0133 0.0007  0.0066  -0.0151 367  GLY A HA2  
5174 H  HA3  . GLY A 367 ? 0.1219 0.1554 0.0158 0.0004  0.0079  -0.0159 367  GLY A HA3  
5175 N  N    . TRP A 368 ? 0.1177 0.1412 0.0078 0.0057  0.0097  -0.0088 368  TRP A N    
5176 C  CA   . TRP A 368 ? 0.1210 0.1357 0.0071 0.0045  0.0072  -0.0063 368  TRP A CA   
5177 C  C    . TRP A 368 ? 0.1115 0.1386 0.0064 0.0038  0.0025  0.0022  368  TRP A C    
5178 O  O    . TRP A 368 ? 0.1175 0.1351 0.0065 0.0020  -0.0033 0.0030  368  TRP A O    
5179 C  CB   . TRP A 368 ? 0.1340 0.1424 0.0064 0.0035  0.0044  0.0011  368  TRP A CB   
5180 C  CG   . TRP A 368 ? 0.1286 0.1415 0.0067 0.0035  0.0069  0.0012  368  TRP A CG   
5181 C  CD1  . TRP A 368 ? 0.1338 0.1373 0.0151 0.0036  0.0130  0.0083  368  TRP A CD1  
5182 C  CD2  . TRP A 368 ? 0.1277 0.1418 0.0063 0.0039  0.0022  0.0007  368  TRP A CD2  
5183 N  NE1  . TRP A 368 ? 0.1430 0.1336 0.0235 0.0028  0.0166  0.0074  368  TRP A NE1  
5184 C  CE2  . TRP A 368 ? 0.1305 0.1383 0.0156 -0.0008 0.0156  0.0022  368  TRP A CE2  
5185 C  CE3  . TRP A 368 ? 0.1317 0.1273 0.0066 0.0027  0.0038  -0.0042 368  TRP A CE3  
5186 C  CZ2  . TRP A 368 ? 0.1407 0.1382 0.0101 0.0007  0.0118  -0.0051 368  TRP A CZ2  
5187 C  CZ3  . TRP A 368 ? 0.1308 0.1319 0.0072 -0.0004 0.0093  0.0053  368  TRP A CZ3  
5188 C  CH2  . TRP A 368 ? 0.1378 0.1405 0.0151 -0.0052 0.0082  0.0042  368  TRP A CH2  
5189 H  H    . TRP A 368 ? 0.1182 0.1396 0.0076 0.0042  0.0094  -0.0075 368  TRP A H    
5190 H  HA   . TRP A 368 ? 0.1197 0.1379 0.0068 0.0038  0.0058  -0.0044 368  TRP A HA   
5191 H  HB2  . TRP A 368 ? 0.1315 0.1406 0.0064 0.0029  0.0037  0.0001  368  TRP A HB2  
5192 H  HB3  . TRP A 368 ? 0.1304 0.1406 0.0066 0.0032  0.0057  -0.0007 368  TRP A HB3  
5193 H  HD1  . TRP A 368 ? 0.1341 0.1376 0.0138 0.0034  0.0123  0.0063  368  TRP A HD1  
5194 H  HE1  . TRP A 368 ? 0.1377 0.1362 0.0193 0.0020  0.0152  0.0061  368  TRP A HE1  
5195 H  HE3  . TRP A 368 ? 0.1308 0.1280 0.0066 0.0019  0.0046  -0.0034 368  TRP A HE3  
5196 H  HZ2  . TRP A 368 ? 0.1375 0.1366 0.0111 -0.0010 0.0116  -0.0026 368  TRP A HZ2  
5197 H  HZ3  . TRP A 368 ? 0.1322 0.1324 0.0068 -0.0004 0.0079  0.0024  368  TRP A HZ3  
5198 H  HH2  . TRP A 368 ? 0.1366 0.1377 0.0117 -0.0025 0.0093  0.0022  368  TRP A HH2  
5199 N  N    . VAL A 369 ? 0.1126 0.1246 0.0067 -0.0028 0.0049  0.0050  369  VAL A N    
5200 C  CA   . VAL A 369 ? 0.1125 0.1242 0.0068 -0.0024 0.0051  0.0059  369  VAL A CA   
5201 C  C    . VAL A 369 ? 0.1147 0.1215 0.0065 0.0020  0.0003  0.0055  369  VAL A C    
5202 O  O    . VAL A 369 ? 0.1138 0.1314 0.0065 -0.0074 0.0051  -0.0016 369  VAL A O    
5203 C  CB   . VAL A 369 ? 0.1129 0.1251 0.0070 -0.0045 0.0082  0.0019  369  VAL A CB   
5204 C  CG1  . VAL A 369 ? 0.1100 0.1240 0.0075 -0.0041 0.0092  -0.0069 369  VAL A CG1  
5205 C  CG2  . VAL A 369 ? 0.1250 0.1384 0.0087 -0.0024 0.0148  0.0080  369  VAL A CG2  
5206 H  H    . VAL A 369 ? 0.1126 0.1277 0.0067 -0.0011 0.0046  0.0044  369  VAL A H    
5207 H  HA   . VAL A 369 ? 0.1138 0.1242 0.0068 -0.0017 0.0052  0.0052  369  VAL A HA   
5208 H  HB   . VAL A 369 ? 0.1135 0.1263 0.0069 -0.0040 0.0080  0.0015  369  VAL A HB   
5209 H  HG11 . VAL A 369 ? 0.1108 0.1243 0.0071 -0.0043 0.0085  -0.0043 369  VAL A HG11 
5210 H  HG12 . VAL A 369 ? 0.1109 0.1245 0.0071 -0.0042 0.0085  -0.0041 369  VAL A HG12 
5211 H  HG13 . VAL A 369 ? 0.1109 0.1245 0.0071 -0.0042 0.0087  -0.0042 369  VAL A HG13 
5212 H  HG21 . VAL A 369 ? 0.1212 0.1353 0.0081 -0.0028 0.0130  0.0061  369  VAL A HG21 
5213 H  HG22 . VAL A 369 ? 0.1221 0.1345 0.0081 -0.0034 0.0132  0.0061  369  VAL A HG22 
5214 H  HG23 . VAL A 369 ? 0.1215 0.1350 0.0085 -0.0025 0.0140  0.0075  369  VAL A HG23 
5215 N  N    . PHE A 370 ? 0.1180 0.1231 0.0066 -0.0061 0.0030  0.0055  370  PHE A N    
5216 C  CA   . PHE A 370 ? 0.1159 0.1227 0.0075 -0.0009 0.0052  0.0104  370  PHE A CA   
5217 C  C    . PHE A 370 ? 0.1129 0.1177 0.0071 -0.0031 0.0054  0.0072  370  PHE A C    
5218 O  O    . PHE A 370 ? 0.1122 0.1231 0.0065 0.0018  -0.0046 -0.0019 370  PHE A O    
5219 C  CB   . PHE A 370 ? 0.1092 0.1199 0.0064 0.0024  0.0011  0.0035  370  PHE A CB   
5220 C  CG   . PHE A 370 ? 0.1014 0.1269 0.0064 -0.0062 0.0002  0.0031  370  PHE A CG   
5221 C  CD1  . PHE A 370 ? 0.1067 0.1307 0.0076 -0.0037 -0.0102 0.0062  370  PHE A CD1  
5222 C  CD2  . PHE A 370 ? 0.1064 0.1292 0.0064 -0.0041 0.0019  -0.0026 370  PHE A CD2  
5223 C  CE1  . PHE A 370 ? 0.1180 0.1342 0.0069 -0.0051 -0.0082 0.0026  370  PHE A CE1  
5224 C  CE2  . PHE A 370 ? 0.1060 0.1334 0.0065 -0.0083 0.0018  -0.0043 370  PHE A CE2  
5225 C  CZ   . PHE A 370 ? 0.1089 0.1414 0.0066 -0.0075 -0.0039 -0.0044 370  PHE A CZ   
5226 H  H    . PHE A 370 ? 0.1159 0.1222 0.0066 -0.0034 0.0018  0.0055  370  PHE A H    
5227 H  HA   . PHE A 370 ? 0.1144 0.1213 0.0069 -0.0017 0.0040  0.0075  370  PHE A HA   
5228 H  HB2  . PHE A 370 ? 0.1083 0.1208 0.0065 0.0004  0.0019  0.0046  370  PHE A HB2  
5229 H  HB3  . PHE A 370 ? 0.1086 0.1220 0.0066 0.0001  0.0011  0.0054  370  PHE A HB3  
5230 H  HD1  . PHE A 370 ? 0.1082 0.1306 0.0069 -0.0046 -0.0067 0.0045  370  PHE A HD1  
5231 H  HD2  . PHE A 370 ? 0.1053 0.1298 0.0063 -0.0055 0.0014  -0.0016 370  PHE A HD2  
5232 H  HE1  . PHE A 370 ? 0.1128 0.1345 0.0068 -0.0052 -0.0074 0.0019  370  PHE A HE1  
5233 H  HE2  . PHE A 370 ? 0.1067 0.1342 0.0064 -0.0070 0.0004  -0.0037 370  PHE A HE2  
5234 H  HZ   . PHE A 370 ? 0.1099 0.1377 0.0064 -0.0072 -0.0032 -0.0025 370  PHE A HZ   
5235 N  N    . TRP A 371 ? 0.1138 0.1243 0.0065 -0.0042 0.0034  0.0035  371  TRP A N    
5236 C  CA   . TRP A 371 ? 0.1140 0.1174 0.0066 -0.0061 -0.0043 0.0046  371  TRP A CA   
5237 C  C    . TRP A 371 ? 0.1120 0.1172 0.0064 -0.0068 -0.0022 0.0036  371  TRP A C    
5238 O  O    . TRP A 371 ? 0.1189 0.1257 0.0072 -0.0068 -0.0005 0.0106  371  TRP A O    
5239 C  CB   . TRP A 371 ? 0.1125 0.1274 0.0068 -0.0022 -0.0059 0.0046  371  TRP A CB   
5240 C  CG   . TRP A 371 ? 0.1019 0.1339 0.0065 -0.0042 -0.0041 -0.0015 371  TRP A CG   
5241 C  CD1  . TRP A 371 ? 0.1198 0.1346 0.0065 -0.0029 0.0023  0.0039  371  TRP A CD1  
5242 C  CD2  . TRP A 371 ? 0.1098 0.1347 0.0066 -0.0031 -0.0020 -0.0056 371  TRP A CD2  
5243 N  NE1  . TRP A 371 ? 0.1126 0.1362 0.0092 0.0021  0.0173  0.0036  371  TRP A NE1  
5244 C  CE2  . TRP A 371 ? 0.1226 0.1402 0.0066 0.0031  0.0059  0.0017  371  TRP A CE2  
5245 C  CE3  . TRP A 371 ? 0.1103 0.1482 0.0066 0.0023  0.0004  -0.0062 371  TRP A CE3  
5246 C  CZ2  . TRP A 371 ? 0.1151 0.1419 0.0071 0.0084  0.0091  -0.0026 371  TRP A CZ2  
5247 C  CZ3  . TRP A 371 ? 0.1143 0.1518 0.0066 0.0072  0.0004  -0.0061 371  TRP A CZ3  
5248 C  CH2  . TRP A 371 ? 0.1103 0.1453 0.0063 0.0084  0.0008  0.0024  371  TRP A CH2  
5249 H  H    . TRP A 371 ? 0.1140 0.1218 0.0065 -0.0048 0.0027  0.0043  371  TRP A H    
5250 H  HA   . TRP A 371 ? 0.1133 0.1206 0.0065 -0.0054 -0.0025 0.0040  371  TRP A HA   
5251 H  HB2  . TRP A 371 ? 0.1110 0.1264 0.0067 -0.0033 -0.0055 0.0034  371  TRP A HB2  
5252 H  HB3  . TRP A 371 ? 0.1104 0.1251 0.0068 -0.0031 -0.0056 0.0047  371  TRP A HB3  
5253 H  HD1  . TRP A 371 ? 0.1133 0.1345 0.0065 -0.0021 0.0041  0.0026  371  TRP A HD1  
5254 H  HE1  . TRP A 371 ? 0.1145 0.1367 0.0077 0.0022  0.0120  0.0022  371  TRP A HE1  
5255 H  HE3  . TRP A 371 ? 0.1106 0.1448 0.0065 0.0025  0.0003  -0.0060 371  TRP A HE3  
5256 H  HZ2  . TRP A 371 ? 0.1143 0.1414 0.0068 0.0081  0.0071  -0.0012 371  TRP A HZ2  
5257 H  HZ3  . TRP A 371 ? 0.1133 0.1496 0.0064 0.0068  -0.0001 -0.0048 371  TRP A HZ3  
5258 H  HH2  . TRP A 371 ? 0.1123 0.1453 0.0064 0.0080  0.0026  -0.0006 371  TRP A HH2  
5259 N  N    . THR A 372 ? 0.1124 0.1247 0.0075 -0.0122 0.0018  0.0113  372  THR A N    
5260 C  CA   . THR A 372 ? 0.1099 0.1192 0.0076 -0.0160 -0.0044 0.0117  372  THR A CA   
5261 C  C    . THR A 372 ? 0.1106 0.1290 0.0073 -0.0130 -0.0086 0.0066  372  THR A C    
5262 O  O    . THR A 372 ? 0.1196 0.1375 0.0076 -0.0290 -0.0119 0.0066  372  THR A O    
5263 C  CB   . THR A 372 ? 0.1163 0.1236 0.0072 -0.0107 -0.0057 0.0088  372  THR A CB   
5264 O  OG1  . THR A 372 ? 0.1368 0.1183 0.0077 -0.0067 -0.0051 0.0118  372  THR A OG1  
5265 C  CG2  . THR A 372 ? 0.1173 0.1298 0.0076 -0.0045 -0.0054 0.0116  372  THR A CG2  
5266 H  H    . THR A 372 ? 0.1110 0.1212 0.0071 -0.0123 -0.0003 0.0097  372  THR A H    
5267 H  HA   . THR A 372 ? 0.1112 0.1227 0.0072 -0.0137 -0.0039 0.0101  372  THR A HA   
5268 H  HB   . THR A 372 ? 0.1173 0.1229 0.0074 -0.0101 -0.0059 0.0101  372  THR A HB   
5269 H  HG1  . THR A 372 ? 0.0875 0.0875 0.0875 0.0000  0.0000  0.0000  372  THR A HG1  
5270 H  HG21 . THR A 372 ? 0.1172 0.1285 0.0075 -0.0065 -0.0055 0.0111  372  THR A HG21 
5271 H  HG22 . THR A 372 ? 0.1176 0.1280 0.0075 -0.0063 -0.0052 0.0109  372  THR A HG22 
5272 H  HG23 . THR A 372 ? 0.1171 0.1279 0.0075 -0.0064 -0.0054 0.0109  372  THR A HG23 
5273 N  N    . TRP A 373 ? 0.1103 0.1245 0.0068 -0.0128 -0.0018 0.0079  373  TRP A N    
5274 C  CA   . TRP A 373 ? 0.1093 0.1275 0.0066 -0.0106 -0.0006 0.0063  373  TRP A CA   
5275 C  C    . TRP A 373 ? 0.1104 0.1255 0.0067 -0.0019 -0.0049 0.0048  373  TRP A C    
5276 O  O    . TRP A 373 ? 0.1114 0.1272 0.0065 -0.0034 0.0040  0.0031  373  TRP A O    
5277 C  CB   . TRP A 373 ? 0.1184 0.1322 0.0076 -0.0005 0.0062  0.0109  373  TRP A CB   
5278 C  CG   . TRP A 373 ? 0.1225 0.1295 0.0069 0.0011  0.0078  0.0037  373  TRP A CG   
5279 C  CD1  . TRP A 373 ? 0.1193 0.1327 0.0073 0.0021  0.0109  -0.0002 373  TRP A CD1  
5280 C  CD2  . TRP A 373 ? 0.1234 0.1282 0.0069 -0.0028 0.0065  0.0052  373  TRP A CD2  
5281 N  NE1  . TRP A 373 ? 0.1213 0.1358 0.0065 -0.0005 -0.0015 0.0049  373  TRP A NE1  
5282 C  CE2  . TRP A 373 ? 0.1221 0.1329 0.0065 -0.0052 0.0053  -0.0012 373  TRP A CE2  
5283 C  CE3  . TRP A 373 ? 0.1420 0.1330 0.0063 -0.0004 0.0008  0.0012  373  TRP A CE3  
5284 C  CZ2  . TRP A 373 ? 0.1277 0.1383 0.0068 -0.0119 -0.0078 0.0011  373  TRP A CZ2  
5285 C  CZ3  . TRP A 373 ? 0.1281 0.1235 0.0071 -0.0049 0.0095  -0.0021 373  TRP A CZ3  
5286 C  CH2  . TRP A 373 ? 0.1394 0.1239 0.0063 -0.0132 -0.0027 -0.0005 373  TRP A CH2  
5287 H  H    . TRP A 373 ? 0.1100 0.1253 0.0068 -0.0127 -0.0030 0.0075  373  TRP A H    
5288 H  HA   . TRP A 373 ? 0.1111 0.1275 0.0067 -0.0078 -0.0006 0.0072  373  TRP A HA   
5289 H  HB2  . TRP A 373 ? 0.1177 0.1306 0.0070 -0.0026 0.0045  0.0081  373  TRP A HB2  
5290 H  HB3  . TRP A 373 ? 0.1171 0.1315 0.0071 -0.0027 0.0047  0.0082  373  TRP A HB3  
5291 H  HD1  . TRP A 373 ? 0.1205 0.1316 0.0068 0.0013  0.0074  0.0015  373  TRP A HD1  
5292 H  HE1  . TRP A 373 ? 0.1195 0.1340 0.0064 -0.0005 0.0024  0.0024  373  TRP A HE1  
5293 H  HE3  . TRP A 373 ? 0.1341 0.1295 0.0065 -0.0022 0.0043  0.0015  373  TRP A HE3  
5294 H  HZ2  . TRP A 373 ? 0.1274 0.1335 0.0064 -0.0102 -0.0039 0.0003  373  TRP A HZ2  
5295 H  HZ3  . TRP A 373 ? 0.1331 0.1246 0.0065 -0.0049 0.0047  -0.0009 373  TRP A HZ3  
5296 H  HH2  . TRP A 373 ? 0.1337 0.1257 0.0063 -0.0113 -0.0011 -0.0015 373  TRP A HH2  
5297 N  N    . LYS A 374 ? 0.1015 0.1244 0.0066 -0.0011 -0.0051 0.0015  374  LYS A N    
5298 C  CA   . LYS A 374 ? 0.1032 0.1518 0.0081 -0.0031 -0.0125 -0.0045 374  LYS A CA   
5299 C  C    . LYS A 374 ? 0.1120 0.1419 0.0066 -0.0046 -0.0053 0.0006  374  LYS A C    
5300 O  O    . LYS A 374 ? 0.1167 0.1440 0.0068 -0.0105 0.0045  0.0058  374  LYS A O    
5301 C  CB   . LYS A 374 ? 0.1102 0.1632 0.0090 -0.0042 -0.0167 0.0015  374  LYS A CB   
5302 C  CG   . LYS A 374 ? 0.1169 0.1758 0.0106 -0.0033 -0.0218 0.0006  374  LYS A CG   
5303 C  CD   . LYS A 374 ? 0.1196 0.1697 0.0092 0.0007  -0.0177 0.0041  374  LYS A CD   
5304 C  CE   . LYS A 374 ? 0.1105 0.1643 0.0104 -0.0005 -0.0204 0.0036  374  LYS A CE   
5305 N  NZ   . LYS A 374 ? 0.1155 0.1551 0.0072 -0.0075 -0.0094 0.0047  374  LYS A NZ   
5306 H  H    . LYS A 374 ? 0.1035 0.1301 0.0068 -0.0023 -0.0067 0.0010  374  LYS A H    
5307 H  HA   . LYS A 374 ? 0.1060 0.1473 0.0074 -0.0025 -0.0102 -0.0014 374  LYS A HA   
5308 H  HB2  . LYS A 374 ? 0.1099 0.1629 0.0090 -0.0038 -0.0168 0.0003  374  LYS A HB2  
5309 H  HB3  . LYS A 374 ? 0.1098 0.1628 0.0090 -0.0038 -0.0168 0.0000  374  LYS A HB3  
5310 H  HG2  . LYS A 374 ? 0.1158 0.1713 0.0098 -0.0025 -0.0196 0.0015  374  LYS A HG2  
5311 H  HG3  . LYS A 374 ? 0.1160 0.1722 0.0099 -0.0021 -0.0197 0.0014  374  LYS A HG3  
5312 H  HD2  . LYS A 374 ? 0.1169 0.1700 0.0098 -0.0003 -0.0194 0.0031  374  LYS A HD2  
5313 H  HD3  . LYS A 374 ? 0.1176 0.1697 0.0098 -0.0004 -0.0195 0.0032  374  LYS A HD3  
5314 H  HE2  . LYS A 374 ? 0.1137 0.1635 0.0090 -0.0018 -0.0168 0.0039  374  LYS A HE2  
5315 H  HE3  . LYS A 374 ? 0.1133 0.1631 0.0090 -0.0020 -0.0168 0.0039  374  LYS A HE3  
5316 H  HZ1  . LYS A 374 ? 0.1137 0.1572 0.0078 -0.0055 -0.0122 0.0041  374  LYS A HZ1  
5317 H  HZ2  . LYS A 374 ? 0.1137 0.1560 0.0078 -0.0061 -0.0121 0.0044  374  LYS A HZ2  
5318 H  HZ3  . LYS A 374 ? 0.1140 0.1561 0.0077 -0.0057 -0.0121 0.0030  374  LYS A HZ3  
5319 N  N    . THR A 375 ? 0.1192 0.1487 0.0065 -0.0061 -0.0038 -0.0039 375  THR A N    
5320 C  CA   . THR A 375 ? 0.1200 0.1582 0.0068 -0.0030 -0.0034 -0.0075 375  THR A CA   
5321 C  C    . THR A 375 ? 0.1137 0.1700 0.0065 -0.0011 -0.0047 -0.0017 375  THR A C    
5322 O  O    . THR A 375 ? 0.1171 0.2146 0.0072 -0.0213 -0.0037 -0.0118 375  THR A O    
5323 C  CB   . THR A 375 ? 0.1175 0.1563 0.0076 -0.0024 -0.0097 -0.0082 375  THR A CB   
5324 O  OG1  . THR A 375 ? 0.1232 0.1571 0.0071 -0.0138 -0.0095 0.0026  375  THR A OG1  
5325 C  CG2  . THR A 375 ? 0.1134 0.1644 0.0081 0.0034  -0.0140 0.0009  375  THR A CG2  
5326 H  H    . THR A 375 ? 0.1171 0.1489 0.0066 -0.0052 -0.0042 -0.0036 375  THR A H    
5327 H  HA   . THR A 375 ? 0.1183 0.1579 0.0067 -0.0031 -0.0047 -0.0058 375  THR A HA   
5328 H  HB   . THR A 375 ? 0.1182 0.1575 0.0072 -0.0036 -0.0090 -0.0054 375  THR A HB   
5329 H  HG1  . THR A 375 ? 0.0927 0.0927 0.0927 0.0000  0.0000  0.0000  375  THR A HG1  
5330 H  HG21 . THR A 375 ? 0.1141 0.1613 0.0080 0.0025  -0.0136 -0.0003 375  THR A HG21 
5331 H  HG22 . THR A 375 ? 0.1146 0.1625 0.0079 0.0018  -0.0132 -0.0002 375  THR A HG22 
5332 H  HG23 . THR A 375 ? 0.1147 0.1625 0.0079 0.0022  -0.0131 -0.0013 375  THR A HG23 
5333 N  N    . GLU A 376 ? 0.1048 0.1640 0.0064 -0.0031 -0.0025 -0.0013 376  GLU A N    
5334 C  CA   . GLU A 376 ? 0.1003 0.1625 0.0071 0.0003  -0.0089 -0.0007 376  GLU A CA   
5335 C  C    . GLU A 376 ? 0.0924 0.1546 0.0071 -0.0084 -0.0082 -0.0016 376  GLU A C    
5336 O  O    . GLU A 376 ? 0.1011 0.1680 0.0228 -0.0002 0.0061  0.0030  376  GLU A O    
5337 C  CB   . GLU A 376 ? 0.1146 0.1607 0.0065 -0.0007 -0.0048 -0.0010 376  GLU A CB   
5338 C  CG   . GLU A 376 ? 0.1144 0.1769 0.0063 -0.0005 -0.0006 0.0030  376  GLU A CG   
5339 C  CD   . GLU A 376 ? 0.1205 0.1571 0.0181 -0.0070 0.0090  0.0103  376  GLU A CD   
5340 O  OE1  . GLU A 376 ? 0.1212 0.1594 0.0186 0.0070  0.0135  0.0084  376  GLU A OE1  
5341 O  OE2  . GLU A 376 ? 0.1351 0.1726 0.0316 -0.0052 -0.0042 0.0107  376  GLU A OE2  
5342 H  H    . GLU A 376 ? 0.1059 0.1648 0.0065 -0.0020 -0.0045 -0.0014 376  GLU A H    
5343 H  HA   . GLU A 376 ? 0.1012 0.1617 0.0070 -0.0024 -0.0079 -0.0012 376  GLU A HA   
5344 H  HB2  . GLU A 376 ? 0.1126 0.1643 0.0064 -0.0001 -0.0037 0.0001  376  GLU A HB2  
5345 H  HB3  . GLU A 376 ? 0.1125 0.1644 0.0065 0.0000  -0.0052 -0.0001 376  GLU A HB3  
5346 H  HG2  . GLU A 376 ? 0.1135 0.1685 0.0064 -0.0024 -0.0016 0.0032  376  GLU A HG2  
5347 H  HG3  . GLU A 376 ? 0.1149 0.1683 0.0064 -0.0022 0.0000  0.0035  376  GLU A HG3  
5348 N  N    . GLY A 377 ? 0.1062 0.1451 0.0066 -0.0049 0.0055  -0.0013 377  GLY A N    
5349 C  CA   . GLY A 377 ? 0.1141 0.1530 0.0064 -0.0043 -0.0024 0.0032  377  GLY A CA   
5350 C  C    . GLY A 377 ? 0.1239 0.1455 0.0073 -0.0109 -0.0103 0.0051  377  GLY A C    
5351 O  O    . GLY A 377 ? 0.1273 0.1538 0.0070 -0.0072 -0.0086 -0.0023 377  GLY A O    
5352 H  H    . GLY A 377 ? 0.1035 0.1496 0.0063 -0.0058 0.0005  -0.0002 377  GLY A H    
5353 H  HA2  . GLY A 377 ? 0.1144 0.1497 0.0064 -0.0059 -0.0024 0.0025  377  GLY A HA2  
5354 H  HA3  . GLY A 377 ? 0.1140 0.1496 0.0064 -0.0059 -0.0023 0.0025  377  GLY A HA3  
5355 N  N    . ALA A 378 ? 0.1159 0.1535 0.0072 -0.0127 -0.0094 0.0054  378  ALA A N    
5356 C  CA   . ALA A 378 ? 0.1067 0.1518 0.0073 -0.0104 -0.0050 0.0107  378  ALA A CA   
5357 C  C    . ALA A 378 ? 0.1104 0.1550 0.0071 -0.0093 -0.0029 0.0107  378  ALA A C    
5358 O  O    . ALA A 378 ? 0.1239 0.1392 0.0096 -0.0075 0.0026  0.0206  378  ALA A O    
5359 C  CB   . ALA A 378 ? 0.1070 0.1491 0.0064 -0.0103 -0.0016 0.0033  378  ALA A CB   
5360 H  H    . ALA A 378 ? 0.1157 0.1510 0.0070 -0.0116 -0.0081 0.0054  378  ALA A H    
5361 H  HA   . ALA A 378 ? 0.1092 0.1524 0.0069 -0.0106 -0.0042 0.0081  378  ALA A HA   
5362 H  HB1  . ALA A 378 ? 0.1081 0.1499 0.0065 -0.0105 -0.0022 0.0055  378  ALA A HB1  
5363 H  HB2  . ALA A 378 ? 0.1071 0.1494 0.0066 -0.0101 -0.0027 0.0055  378  ALA A HB2  
5364 H  HB3  . ALA A 378 ? 0.1074 0.1498 0.0066 -0.0103 -0.0033 0.0057  378  ALA A HB3  
5365 N  N    . PRO A 379 ? 0.1106 0.1641 0.0073 -0.0102 0.0012  0.0126  379  PRO A N    
5366 C  CA   . PRO A 379 ? 0.1136 0.1558 0.0114 -0.0071 -0.0057 0.0270  379  PRO A CA   
5367 C  C    . PRO A 379 ? 0.1144 0.1530 0.0081 -0.0059 -0.0084 0.0133  379  PRO A C    
5368 O  O    . PRO A 379 ? 0.1148 0.1667 0.0100 0.0003  -0.0133 0.0184  379  PRO A O    
5369 C  CB   . PRO A 379 ? 0.1261 0.1596 0.0130 -0.0094 0.0026  0.0316  379  PRO A CB   
5370 C  CG   . PRO A 379 ? 0.1219 0.1675 0.0103 -0.0092 0.0007  0.0252  379  PRO A CG   
5371 C  CD   . PRO A 379 ? 0.1135 0.1696 0.0091 -0.0128 0.0081  0.0177  379  PRO A CD   
5372 H  HA   . PRO A 379 ? 0.1143 0.1572 0.0096 -0.0081 -0.0042 0.0220  379  PRO A HA   
5373 H  HB2  . PRO A 379 ? 0.1240 0.1604 0.0120 -0.0088 0.0020  0.0292  379  PRO A HB2  
5374 H  HB3  . PRO A 379 ? 0.1224 0.1607 0.0119 -0.0087 0.0005  0.0293  379  PRO A HB3  
5375 H  HG2  . PRO A 379 ? 0.1209 0.1663 0.0103 -0.0100 0.0024  0.0248  379  PRO A HG2  
5376 H  HG3  . PRO A 379 ? 0.1204 0.1662 0.0103 -0.0102 0.0024  0.0249  379  PRO A HG3  
5377 H  HD2  . PRO A 379 ? 0.1154 0.1680 0.0091 -0.0111 0.0061  0.0191  379  PRO A HD2  
5378 H  HD3  . PRO A 379 ? 0.1152 0.1678 0.0087 -0.0119 0.0050  0.0180  379  PRO A HD3  
5379 N  N    . GLY A 380 ? 0.1100 0.1438 0.0076 -0.0086 -0.0091 0.0087  380  GLY A N    
5380 C  CA   . GLY A 380 ? 0.1159 0.1363 0.0072 -0.0081 -0.0092 0.0054  380  GLY A CA   
5381 C  C    . GLY A 380 ? 0.1129 0.1350 0.0065 -0.0027 -0.0013 0.0044  380  GLY A C    
5382 O  O    . GLY A 380 ? 0.1138 0.1412 0.0065 -0.0160 0.0027  -0.0048 380  GLY A O    
5383 H  H    . GLY A 380 ? 0.1113 0.1441 0.0077 -0.0081 -0.0096 0.0090  380  GLY A H    
5384 H  HA2  . GLY A 380 ? 0.1141 0.1378 0.0070 -0.0071 -0.0071 0.0058  380  GLY A HA2  
5385 H  HA3  . GLY A 380 ? 0.1146 0.1381 0.0069 -0.0073 -0.0064 0.0057  380  GLY A HA3  
5386 N  N    . TRP A 381 ? 0.1042 0.1360 0.0066 -0.0043 0.0042  0.0043  381  TRP A N    
5387 C  CA   . TRP A 381 ? 0.0931 0.1293 0.0063 -0.0075 0.0022  -0.0003 381  TRP A CA   
5388 C  C    . TRP A 381 ? 0.1055 0.1293 0.0068 -0.0138 -0.0045 0.0065  381  TRP A C    
5389 O  O    . TRP A 381 ? 0.1111 0.1445 0.0065 -0.0232 0.0023  0.0040  381  TRP A O    
5390 C  CB   . TRP A 381 ? 0.0950 0.1244 0.0064 -0.0019 0.0030  -0.0027 381  TRP A CB   
5391 C  CG   . TRP A 381 ? 0.1071 0.1282 0.0070 -0.0024 0.0045  0.0076  381  TRP A CG   
5392 C  CD1  . TRP A 381 ? 0.0957 0.1315 0.0070 -0.0112 0.0012  0.0093  381  TRP A CD1  
5393 C  CD2  . TRP A 381 ? 0.1102 0.1331 0.0068 -0.0047 -0.0072 0.0023  381  TRP A CD2  
5394 N  NE1  . TRP A 381 ? 0.0996 0.1375 0.0068 -0.0037 -0.0025 0.0080  381  TRP A NE1  
5395 C  CE2  . TRP A 381 ? 0.0993 0.1382 0.0069 -0.0015 -0.0072 0.0029  381  TRP A CE2  
5396 C  CE3  . TRP A 381 ? 0.1053 0.1298 0.0064 -0.0042 0.0023  -0.0034 381  TRP A CE3  
5397 C  CZ2  . TRP A 381 ? 0.1099 0.1470 0.0071 0.0013  -0.0089 -0.0037 381  TRP A CZ2  
5398 C  CZ3  . TRP A 381 ? 0.1060 0.1332 0.0066 0.0026  -0.0041 0.0044  381  TRP A CZ3  
5399 C  CH2  . TRP A 381 ? 0.1009 0.1453 0.0098 -0.0029 -0.0180 0.0034  381  TRP A CH2  
5400 H  H    . TRP A 381 ? 0.1028 0.1342 0.0064 -0.0047 0.0025  0.0032  381  TRP A H    
5401 H  HA   . TRP A 381 ? 0.0958 0.1296 0.0063 -0.0066 0.0018  0.0011  381  TRP A HA   
5402 H  HB2  . TRP A 381 ? 0.0964 0.1266 0.0064 -0.0032 0.0033  0.0002  381  TRP A HB2  
5403 H  HB3  . TRP A 381 ? 0.0971 0.1274 0.0064 -0.0032 0.0030  -0.0002 381  TRP A HB3  
5404 H  HD1  . TRP A 381 ? 0.0966 0.1317 0.0069 -0.0086 0.0015  0.0087  381  TRP A HD1  
5405 H  HE1  . TRP A 381 ? 0.0988 0.1362 0.0067 -0.0049 -0.0028 0.0069  381  TRP A HE1  
5406 H  HE3  . TRP A 381 ? 0.1073 0.1317 0.0063 -0.0031 0.0005  -0.0012 381  TRP A HE3  
5407 H  HZ2  . TRP A 381 ? 0.1054 0.1441 0.0072 -0.0006 -0.0093 -0.0006 381  TRP A HZ2  
5408 H  HZ3  . TRP A 381 ? 0.1038 0.1349 0.0066 -0.0008 -0.0047 0.0029  381  TRP A HZ3  
5409 H  HH2  . TRP A 381 ? 0.1009 0.1424 0.0080 -0.0015 -0.0128 0.0018  381  TRP A HH2  
5410 N  N    . ASP A 382 ? 0.1077 0.1302 0.0073 -0.0164 -0.0039 0.0107  382  ASP A N    
5411 C  CA   . ASP A 382 ? 0.1078 0.1284 0.0073 -0.0148 -0.0081 0.0074  382  ASP A CA   
5412 C  C    . ASP A 382 ? 0.1062 0.1312 0.0073 -0.0133 -0.0081 0.0075  382  ASP A C    
5413 O  O    . ASP A 382 ? 0.0987 0.1380 0.0071 -0.0123 -0.0062 0.0084  382  ASP A O    
5414 C  CB   . ASP A 382 ? 0.1162 0.1356 0.0068 -0.0106 -0.0069 0.0040  382  ASP A CB   
5415 C  CG   . ASP A 382 ? 0.1107 0.1309 0.0073 -0.0076 -0.0084 -0.0059 382  ASP A CG   
5416 O  OD1  . ASP A 382 ? 0.1163 0.1466 0.0073 -0.0075 -0.0080 -0.0069 382  ASP A OD1  
5417 O  OD2  . ASP A 382 ? 0.1310 0.1478 0.0108 0.0069  -0.0104 -0.0040 382  ASP A OD2  
5418 H  H    . ASP A 382 ? 0.1070 0.1286 0.0071 -0.0155 -0.0047 0.0093  382  ASP A H    
5419 H  HA   . ASP A 382 ? 0.1088 0.1300 0.0071 -0.0143 -0.0068 0.0076  382  ASP A HA   
5420 H  HB2  . ASP A 382 ? 0.1130 0.1330 0.0069 -0.0107 -0.0076 0.0025  382  ASP A HB2  
5421 H  HB3  . ASP A 382 ? 0.1131 0.1334 0.0068 -0.0106 -0.0076 0.0024  382  ASP A HB3  
5422 N  N    . MET A 383 ? 0.1069 0.1213 0.0065 -0.0125 -0.0029 0.0035  383  MET A N    
5423 C  CA   . MET A 383 ? 0.1057 0.1284 0.0066 -0.0156 0.0044  0.0026  383  MET A CA   
5424 C  C    . MET A 383 ? 0.1053 0.1233 0.0065 -0.0188 0.0044  -0.0002 383  MET A C    
5425 O  O    . MET A 383 ? 0.1216 0.1261 0.0066 -0.0169 -0.0031 -0.0049 383  MET A O    
5426 C  CB   . MET A 383 ? 0.1160 0.1381 0.0072 -0.0150 0.0097  -0.0014 383  MET A CB   
5427 C  CG   . MET A 383 ? 0.1305 0.1527 0.0078 -0.0112 0.0099  -0.0114 383  MET A CG   
5428 S  SD   . MET A 383 ? 0.1425 0.1703 0.0209 -0.0046 0.0202  0.0059  383  MET A SD   
5429 C  CE   . MET A 383 ? 0.1822 0.1707 0.0241 -0.0218 -0.0130 0.0102  383  MET A CE   
5430 H  H    . MET A 383 ? 0.1063 0.1245 0.0065 -0.0138 -0.0025 0.0043  383  MET A H    
5431 H  HA   . MET A 383 ? 0.1075 0.1276 0.0065 -0.0155 0.0039  0.0016  383  MET A HA   
5432 H  HB2  . MET A 383 ? 0.1162 0.1383 0.0070 -0.0143 0.0085  -0.0023 383  MET A HB2  
5433 H  HB3  . MET A 383 ? 0.1161 0.1382 0.0070 -0.0143 0.0085  -0.0022 383  MET A HB3  
5434 H  HG2  . MET A 383 ? 0.1279 0.1505 0.0076 -0.0113 0.0115  -0.0061 383  MET A HG2  
5435 H  HG3  . MET A 383 ? 0.1281 0.1520 0.0076 -0.0117 0.0118  -0.0066 383  MET A HG3  
5436 H  HE1  . MET A 383 ? 0.1720 0.1710 0.0240 -0.0164 -0.0041 0.0086  383  MET A HE1  
5437 H  HE2  . MET A 383 ? 0.1708 0.1699 0.0238 -0.0161 -0.0041 0.0090  383  MET A HE2  
5438 H  HE3  . MET A 383 ? 0.1746 0.1714 0.0259 -0.0151 -0.0064 0.0075  383  MET A HE3  
5439 N  N    . SER A 384 ? 0.1158 0.1286 0.0068 -0.0159 -0.0077 0.0013  384  SER A N    
5440 C  CA   . SER A 384 ? 0.1225 0.1418 0.0069 -0.0170 -0.0080 -0.0001 384  SER A CA   
5441 C  C    . SER A 384 ? 0.1148 0.1380 0.0079 -0.0213 -0.0129 0.0000  384  SER A C    
5442 O  O    . SER A 384 ? 0.1192 0.1548 0.0078 -0.0369 -0.0062 0.0012  384  SER A O    
5443 C  CB   . SER A 384 ? 0.1318 0.1421 0.0083 -0.0104 -0.0101 0.0137  384  SER A CB   
5444 O  OG   . SER A 384 ? 0.1394 0.1534 0.0078 -0.0041 -0.0130 0.0061  384  SER A OG   
5445 H  H    . SER A 384 ? 0.1144 0.1296 0.0065 -0.0169 -0.0045 0.0006  384  SER A H    
5446 H  HA   . SER A 384 ? 0.1206 0.1376 0.0069 -0.0162 -0.0084 0.0012  384  SER A HA   
5447 H  HB2  . SER A 384 ? 0.1320 0.1443 0.0075 -0.0104 -0.0092 0.0090  384  SER A HB2  
5448 H  HB3  . SER A 384 ? 0.1305 0.1437 0.0075 -0.0111 -0.0097 0.0090  384  SER A HB3  
5449 H  HG   . SER A 384 ? 0.1012 0.1012 0.1012 0.0000  0.0000  0.0000  384  SER A HG   
5450 N  N    . ASP A 385 ? 0.1064 0.1366 0.0080 -0.0204 -0.0130 0.0048  385  ASP A N    
5451 C  CA   . ASP A 385 ? 0.1058 0.1462 0.0071 -0.0158 -0.0087 0.0043  385  ASP A CA   
5452 C  C    . ASP A 385 ? 0.1148 0.1327 0.0076 -0.0186 -0.0113 0.0060  385  ASP A C    
5453 O  O    . ASP A 385 ? 0.1128 0.1342 0.0079 -0.0140 -0.0131 0.0005  385  ASP A O    
5454 C  CB   . ASP A 385 ? 0.1044 0.1584 0.0073 -0.0146 -0.0094 0.0050  385  ASP A CB   
5455 C  CG   . ASP A 385 ? 0.1074 0.1529 0.0075 -0.0186 -0.0088 0.0097  385  ASP A CG   
5456 O  OD1  . ASP A 385 ? 0.1071 0.1691 0.0077 -0.0238 -0.0027 0.0153  385  ASP A OD1  
5457 O  OD2  . ASP A 385 ? 0.1065 0.1877 0.0077 -0.0155 -0.0038 0.0156  385  ASP A OD2  
5458 H  H    . ASP A 385 ? 0.1081 0.1384 0.0077 -0.0199 -0.0120 0.0032  385  ASP A H    
5459 H  HA   . ASP A 385 ? 0.1070 0.1441 0.0074 -0.0171 -0.0102 0.0049  385  ASP A HA   
5460 H  HB2  . ASP A 385 ? 0.1053 0.1547 0.0073 -0.0160 -0.0092 0.0058  385  ASP A HB2  
5461 H  HB3  . ASP A 385 ? 0.1044 0.1543 0.0073 -0.0159 -0.0093 0.0058  385  ASP A HB3  
5462 N  N    . LEU A 386 ? 0.1164 0.1195 0.0065 -0.0117 -0.0009 0.0044  386  LEU A N    
5463 C  CA   . LEU A 386 ? 0.1106 0.1207 0.0118 -0.0045 -0.0003 0.0035  386  LEU A CA   
5464 C  C    . LEU A 386 ? 0.1061 0.1171 0.0115 -0.0064 0.0024  0.0054  386  LEU A C    
5465 O  O    . LEU A 386 ? 0.1197 0.1172 0.0278 -0.0098 -0.0017 0.0052  386  LEU A O    
5466 C  CB   . LEU A 386 ? 0.1070 0.1262 0.0143 -0.0049 -0.0050 0.0111  386  LEU A CB   
5467 C  CG   . LEU A 386 ? 0.1177 0.1345 0.0240 -0.0129 -0.0106 0.0021  386  LEU A CG   
5468 C  CD1  . LEU A 386 ? 0.1315 0.1588 0.0121 -0.0169 -0.0134 0.0016  386  LEU A CD1  
5469 C  CD2  . LEU A 386 ? 0.1411 0.1486 0.0270 -0.0190 -0.0037 -0.0040 386  LEU A CD2  
5470 H  H    . LEU A 386 ? 0.1144 0.1228 0.0066 -0.0121 -0.0036 0.0045  386  LEU A H    
5471 H  HA   . LEU A 386 ? 0.1109 0.1217 0.0110 -0.0061 -0.0014 0.0045  386  LEU A HA   
5472 H  HB2  . LEU A 386 ? 0.1097 0.1256 0.0144 -0.0070 -0.0043 0.0085  386  LEU A HB2  
5473 H  HB3  . LEU A 386 ? 0.1100 0.1260 0.0155 -0.0063 -0.0049 0.0076  386  LEU A HB3  
5474 H  HG   . LEU A 386 ? 0.1211 0.1376 0.0200 -0.0124 -0.0086 0.0030  386  LEU A HG   
5475 H  HD11 . LEU A 386 ? 0.1271 0.1514 0.0159 -0.0158 -0.0123 0.0017  386  LEU A HD11 
5476 H  HD12 . LEU A 386 ? 0.1274 0.1534 0.0161 -0.0163 -0.0120 0.0013  386  LEU A HD12 
5477 H  HD13 . LEU A 386 ? 0.1270 0.1513 0.0158 -0.0158 -0.0122 0.0018  386  LEU A HD13 
5478 H  HD21 . LEU A 386 ? 0.1365 0.1440 0.0261 -0.0175 -0.0055 -0.0016 386  LEU A HD21 
5479 H  HD22 . LEU A 386 ? 0.1339 0.1455 0.0262 -0.0173 -0.0057 -0.0015 386  LEU A HD22 
5480 H  HD23 . LEU A 386 ? 0.1342 0.1444 0.0273 -0.0170 -0.0052 -0.0013 386  LEU A HD23 
5481 N  N    . LEU A 387 ? 0.1219 0.1148 0.0087 -0.0086 -0.0028 0.0007  387  LEU A N    
5482 C  CA   . LEU A 387 ? 0.1266 0.1239 0.0082 -0.0101 0.0055  -0.0047 387  LEU A CA   
5483 C  C    . LEU A 387 ? 0.1290 0.1237 0.0111 -0.0103 0.0077  -0.0089 387  LEU A C    
5484 O  O    . LEU A 387 ? 0.1384 0.1356 0.0230 -0.0122 0.0068  -0.0143 387  LEU A O    
5485 C  CB   . LEU A 387 ? 0.1301 0.1290 0.0069 -0.0139 0.0039  -0.0080 387  LEU A CB   
5486 C  CG   . LEU A 387 ? 0.1430 0.1324 0.0071 -0.0223 0.0076  -0.0079 387  LEU A CG   
5487 C  CD1  . LEU A 387 ? 0.1446 0.1385 0.0071 -0.0159 -0.0028 -0.0095 387  LEU A CD1  
5488 C  CD2  . LEU A 387 ? 0.1488 0.1433 0.0135 -0.0141 0.0131  -0.0021 387  LEU A CD2  
5489 H  H    . LEU A 387 ? 0.1191 0.1163 0.0091 -0.0085 0.0003  0.0005  387  LEU A H    
5490 H  HA   . LEU A 387 ? 0.1267 0.1230 0.0071 -0.0104 0.0040  -0.0049 387  LEU A HA   
5491 H  HB2  . LEU A 387 ? 0.1318 0.1281 0.0069 -0.0146 0.0048  -0.0075 387  LEU A HB2  
5492 H  HB3  . LEU A 387 ? 0.1315 0.1281 0.0069 -0.0153 0.0039  -0.0081 387  LEU A HB3  
5493 H  HG   . LEU A 387 ? 0.1417 0.1345 0.0069 -0.0180 0.0061  -0.0073 387  LEU A HG   
5494 H  HD11 . LEU A 387 ? 0.1450 0.1369 0.0069 -0.0175 0.0000  -0.0091 387  LEU A HD11 
5495 H  HD12 . LEU A 387 ? 0.1441 0.1368 0.0070 -0.0179 -0.0004 -0.0092 387  LEU A HD12 
5496 H  HD13 . LEU A 387 ? 0.1444 0.1369 0.0069 -0.0179 0.0000  -0.0089 387  LEU A HD13 
5497 H  HD21 . LEU A 387 ? 0.1470 0.1400 0.0110 -0.0163 0.0117  -0.0043 387  LEU A HD21 
5498 H  HD22 . LEU A 387 ? 0.1481 0.1397 0.0131 -0.0160 0.0132  -0.0034 387  LEU A HD22 
5499 H  HD23 . LEU A 387 ? 0.1481 0.1398 0.0110 -0.0161 0.0116  -0.0040 387  LEU A HD23 
5500 N  N    . GLU A 388 ? 0.1311 0.1337 0.0256 -0.0125 0.0094  -0.0143 388  GLU A N    
5501 C  CA   . GLU A 388 ? 0.1293 0.1577 0.0074 -0.0146 0.0033  -0.0125 388  GLU A CA   
5502 C  C    . GLU A 388 ? 0.1375 0.1437 0.0241 -0.0205 -0.0055 -0.0124 388  GLU A C    
5503 O  O    . GLU A 388 ? 0.1451 0.1593 0.0229 -0.0313 -0.0140 -0.0025 388  GLU A O    
5504 C  CB   . GLU A 388 ? 0.1294 0.1638 0.0063 -0.0113 0.0007  -0.0022 388  GLU A CB   
5505 C  CG   . GLU A 388 ? 0.1331 0.1734 0.0079 -0.0141 -0.0019 -0.0031 388  GLU A CG   
5506 C  CD   . GLU A 388 ? 0.1303 0.1745 0.0303 -0.0207 -0.0026 0.0022  388  GLU A CD   
5507 O  OE1  . GLU A 388 ? 0.1171 0.1648 0.0377 -0.0126 -0.0127 0.0052  388  GLU A OE1  
5508 O  OE2  . GLU A 388 ? 0.1277 0.1685 0.0302 -0.0224 -0.0036 -0.0006 388  GLU A OE2  
5509 H  H    . GLU A 388 ? 0.1301 0.1354 0.0160 -0.0125 0.0075  -0.0128 388  GLU A H    
5510 H  HA   . GLU A 388 ? 0.1310 0.1507 0.0074 -0.0149 0.0015  -0.0128 388  GLU A HA   
5511 H  HB2  . GLU A 388 ? 0.1301 0.1631 0.0064 -0.0130 0.0009  -0.0039 388  GLU A HB2  
5512 H  HB3  . GLU A 388 ? 0.1300 0.1640 0.0064 -0.0127 0.0004  -0.0047 388  GLU A HB3  
5513 H  HG2  . GLU A 388 ? 0.1315 0.1708 0.0088 -0.0150 -0.0016 -0.0025 388  GLU A HG2  
5514 H  HG3  . GLU A 388 ? 0.1317 0.1715 0.0098 -0.0151 -0.0014 -0.0019 388  GLU A HG3  
5515 N  N    . ALA A 389 ? 0.1256 0.1410 0.0178 -0.0249 0.0032  0.0069  389  ALA A N    
5516 C  CA   . ALA A 389 ? 0.1367 0.1413 0.0151 -0.0214 0.0125  0.0067  389  ALA A CA   
5517 C  C    . ALA A 389 ? 0.1342 0.1330 0.0490 -0.0237 0.0068  0.0120  389  ALA A C    
5518 O  O    . ALA A 389 ? 0.1605 0.1407 0.0752 -0.0215 0.0187  0.0276  389  ALA A O    
5519 C  CB   . ALA A 389 ? 0.1484 0.1562 0.0225 -0.0230 0.0089  0.0024  389  ALA A CB   
5520 H  H    . ALA A 389 ? 0.1304 0.1409 0.0186 -0.0235 0.0032  0.0020  389  ALA A H    
5521 H  HA   . ALA A 389 ? 0.1362 0.1424 0.0226 -0.0227 0.0088  0.0068  389  ALA A HA   
5522 H  HB1  . ALA A 389 ? 0.1452 0.1535 0.0218 -0.0224 0.0099  0.0023  389  ALA A HB1  
5523 H  HB2  . ALA A 389 ? 0.1456 0.1528 0.0207 -0.0230 0.0097  0.0038  389  ALA A HB2  
5524 H  HB3  . ALA A 389 ? 0.1463 0.1522 0.0206 -0.0220 0.0098  0.0035  389  ALA A HB3  
5525 N  N    . GLY A 390 ? 0.1320 0.1277 0.0520 -0.0194 0.0060  0.0016  390  GLY A N    
5526 C  CA   . GLY A 390 ? 0.1447 0.1315 0.0659 -0.0122 0.0026  -0.0096 390  GLY A CA   
5527 C  C    . GLY A 390 ? 0.1375 0.1213 0.0731 -0.0118 0.0040  -0.0060 390  GLY A C    
5528 O  O    . GLY A 390 ? 0.1703 0.1262 0.1182 -0.0004 -0.0084 -0.0103 390  GLY A O    
5529 H  H    . GLY A 390 ? 0.1350 0.1292 0.0528 -0.0190 0.0055  0.0022  390  GLY A H    
5530 H  HA2  . GLY A 390 ? 0.1405 0.1295 0.0666 -0.0140 0.0031  -0.0062 390  GLY A HA2  
5531 H  HA3  . GLY A 390 ? 0.1407 0.1306 0.0644 -0.0127 0.0036  -0.0059 390  GLY A HA3  
5532 N  N    . VAL A 391 ? 0.1297 0.1296 0.0580 -0.0127 -0.0006 -0.0022 391  VAL A N    
5533 C  CA   . VAL A 391 ? 0.1277 0.1355 0.0400 -0.0099 0.0014  0.0105  391  VAL A CA   
5534 C  C    . VAL A 391 ? 0.1310 0.1462 0.0310 -0.0047 0.0058  0.0088  391  VAL A C    
5535 O  O    . VAL A 391 ? 0.1352 0.1777 0.0861 0.0011  0.0169  0.0189  391  VAL A O    
5536 C  CB   . VAL A 391 ? 0.1355 0.1537 0.0318 -0.0061 -0.0057 0.0077  391  VAL A CB   
5537 C  CG1  . VAL A 391 ? 0.1477 0.1605 0.0596 -0.0099 -0.0103 -0.0024 391  VAL A CG1  
5538 C  CG2  . VAL A 391 ? 0.1524 0.1528 0.0469 -0.0046 -0.0007 0.0158  391  VAL A CG2  
5539 H  H    . VAL A 391 ? 0.1312 0.1297 0.0567 -0.0119 0.0009  0.0001  391  VAL A H    
5540 H  HA   . VAL A 391 ? 0.1303 0.1374 0.0409 -0.0084 0.0004  0.0077  391  VAL A HA   
5541 H  HB   . VAL A 391 ? 0.1386 0.1508 0.0407 -0.0073 -0.0041 0.0079  391  VAL A HB   
5542 H  HG11 . VAL A 391 ? 0.1445 0.1602 0.0514 -0.0092 -0.0090 0.0006  391  VAL A HG11 
5543 H  HG12 . VAL A 391 ? 0.1451 0.1599 0.0518 -0.0075 -0.0098 0.0001  391  VAL A HG12 
5544 H  HG13 . VAL A 391 ? 0.1444 0.1595 0.0538 -0.0090 -0.0099 0.0023  391  VAL A HG13 
5545 H  HG21 . VAL A 391 ? 0.1474 0.1542 0.0447 -0.0053 -0.0024 0.0147  391  VAL A HG21 
5546 H  HG22 . VAL A 391 ? 0.1494 0.1533 0.0436 -0.0049 -0.0007 0.0137  391  VAL A HG22 
5547 H  HG23 . VAL A 391 ? 0.1479 0.1538 0.0432 -0.0047 -0.0020 0.0138  391  VAL A HG23 
5548 N  N    . PHE A 392 ? 0.1329 0.1340 0.0506 -0.0094 0.0022  0.0111  392  PHE A N    
5549 C  CA   . PHE A 392 ? 0.1371 0.1362 0.0307 -0.0110 0.0036  0.0012  392  PHE A CA   
5550 C  C    . PHE A 392 ? 0.1409 0.1403 0.0266 -0.0005 -0.0074 0.0045  392  PHE A C    
5551 O  O    . PHE A 392 ? 0.1451 0.1636 0.0463 0.0005  -0.0175 0.0059  392  PHE A O    
5552 C  CB   . PHE A 392 ? 0.1405 0.1362 0.0097 -0.0050 0.0108  -0.0106 392  PHE A CB   
5553 C  CG   . PHE A 392 ? 0.1414 0.1240 0.0116 -0.0057 0.0054  -0.0013 392  PHE A CG   
5554 C  CD1  . PHE A 392 ? 0.1452 0.1449 0.0288 -0.0060 0.0217  -0.0097 392  PHE A CD1  
5555 C  CD2  . PHE A 392 ? 0.1507 0.1394 0.0105 -0.0050 0.0003  0.0002  392  PHE A CD2  
5556 C  CE1  . PHE A 392 ? 0.1532 0.1514 0.0381 -0.0153 0.0217  -0.0099 392  PHE A CE1  
5557 C  CE2  . PHE A 392 ? 0.1484 0.1342 0.0147 -0.0127 -0.0058 -0.0048 392  PHE A CE2  
5558 C  CZ   . PHE A 392 ? 0.1412 0.1418 0.0373 -0.0136 0.0141  0.0048  392  PHE A CZ   
5559 H  H    . PHE A 392 ? 0.1331 0.1372 0.0413 -0.0086 0.0033  0.0082  392  PHE A H    
5560 H  HA   . PHE A 392 ? 0.1383 0.1368 0.0295 -0.0076 0.0031  0.0012  392  PHE A HA   
5561 H  HB2  . PHE A 392 ? 0.1389 0.1323 0.0097 -0.0053 0.0104  -0.0081 392  PHE A HB2  
5562 H  HB3  . PHE A 392 ? 0.1401 0.1333 0.0142 -0.0063 0.0086  -0.0063 392  PHE A HB3  
5563 H  HD1  . PHE A 392 ? 0.1470 0.1409 0.0274 -0.0071 0.0182  -0.0061 392  PHE A HD1  
5564 H  HD2  . PHE A 392 ? 0.1476 0.1346 0.0114 -0.0070 0.0008  -0.0014 392  PHE A HD2  
5565 H  HE1  . PHE A 392 ? 0.1485 0.1471 0.0363 -0.0125 0.0188  -0.0061 392  PHE A HE1  
5566 H  HE2  . PHE A 392 ? 0.1452 0.1353 0.0137 -0.0127 -0.0025 -0.0040 392  PHE A HE2  
5567 H  HZ   . PHE A 392 ? 0.1436 0.1410 0.0305 -0.0146 0.0111  -0.0006 392  PHE A HZ   
5568 N  N    . PRO A 393 ? 0.1397 0.1474 0.0290 -0.0041 0.0035  -0.0113 393  PRO A N    
5569 C  CA   . PRO A 393 ? 0.1508 0.1512 0.0299 -0.0031 -0.0035 -0.0189 393  PRO A CA   
5570 C  C    . PRO A 393 ? 0.1712 0.1521 0.0288 -0.0049 0.0030  -0.0161 393  PRO A C    
5571 O  O    . PRO A 393 ? 0.2175 0.1556 0.0073 -0.0101 -0.0038 -0.0119 393  PRO A O    
5572 C  CB   . PRO A 393 ? 0.1569 0.1577 0.0517 -0.0048 0.0024  -0.0166 393  PRO A CB   
5573 C  CG   . PRO A 393 ? 0.1462 0.1448 0.0556 -0.0029 -0.0009 -0.0068 393  PRO A CG   
5574 C  CD   . PRO A 393 ? 0.1504 0.1437 0.0308 -0.0034 0.0009  -0.0021 393  PRO A CD   
5575 H  HA   . PRO A 393 ? 0.1532 0.1514 0.0332 -0.0043 0.0000  -0.0165 393  PRO A HA   
5576 H  HB2  . PRO A 393 ? 0.1538 0.1540 0.0473 -0.0033 -0.0001 -0.0151 393  PRO A HB2  
5577 H  HB3  . PRO A 393 ? 0.1534 0.1546 0.0476 -0.0039 0.0000  -0.0143 393  PRO A HB3  
5578 H  HG2  . PRO A 393 ? 0.1480 0.1472 0.0487 -0.0035 0.0000  -0.0077 393  PRO A HG2  
5579 H  HG3  . PRO A 393 ? 0.1491 0.1469 0.0489 -0.0037 0.0002  -0.0076 393  PRO A HG3  
5580 H  HD2  . PRO A 393 ? 0.1468 0.1451 0.0350 -0.0035 0.0013  -0.0051 393  PRO A HD2  
5581 H  HD3  . PRO A 393 ? 0.1464 0.1447 0.0318 -0.0037 0.0023  -0.0043 393  PRO A HD3  
5582 N  N    . THR A 394 ? 0.1980 0.1711 0.0351 -0.0090 0.0015  -0.0268 394  THR A N    
5583 C  CA   . THR A 394 ? 0.2108 0.1815 0.0508 -0.0073 0.0000  -0.0161 394  THR A CA   
5584 C  C    . THR A 394 ? 0.2220 0.1745 0.0552 -0.0020 0.0109  -0.0002 394  THR A C    
5585 O  O    . THR A 394 ? 0.2362 0.1873 0.0461 0.0147  -0.0022 -0.0088 394  THR A O    
5586 C  CB   . THR A 394 ? 0.2128 0.2141 0.0392 -0.0174 -0.0083 -0.0278 394  THR A CB   
5587 O  OG1  . THR A 394 ? 0.2274 0.2315 0.0749 -0.0352 -0.0015 -0.0307 394  THR A OG1  
5588 C  CG2  . THR A 394 ? 0.2469 0.2448 0.0487 0.0028  -0.0029 -0.0196 394  THR A CG2  
5589 H  H    . THR A 394 ? 0.1924 0.1688 0.0363 -0.0074 0.0015  -0.0215 394  THR A H    
5590 H  HA   . THR A 394 ? 0.2097 0.1832 0.0455 -0.0083 0.0007  -0.0173 394  THR A HA   
5591 H  HB   . THR A 394 ? 0.2199 0.2139 0.0475 -0.0148 -0.0046 -0.0231 394  THR A HB   
5592 H  HG1  . THR A 394 ? 0.1808 0.1808 0.1808 0.0000  0.0000  0.0000  394  THR A HG1  
5593 H  HG21 . THR A 394 ? 0.2397 0.2350 0.0470 -0.0029 -0.0020 -0.0218 394  THR A HG21 
5594 H  HG22 . THR A 394 ? 0.2353 0.2351 0.0472 -0.0034 -0.0038 -0.0228 394  THR A HG22 
5595 H  HG23 . THR A 394 ? 0.2356 0.2395 0.0465 -0.0026 -0.0037 -0.0207 394  THR A HG23 
5596 N  N    . SER A 395 ? 0.2116 0.1742 0.0368 -0.0008 0.0008  -0.0135 395  SER A N    
5597 C  CA   . SER A 395 ? 0.2146 0.1898 0.0534 -0.0020 0.0069  -0.0004 395  SER A CA   
5598 C  C    . SER A 395 ? 0.2005 0.1661 0.0528 0.0057  0.0066  -0.0175 395  SER A C    
5599 O  O    . SER A 395 ? 0.2018 0.1891 0.0647 0.0111  0.0002  -0.0130 395  SER A O    
5600 C  CB   . SER A 395 ? 0.2414 0.2207 0.0556 -0.0068 0.0061  -0.0119 395  SER A CB   
5601 O  OG   . SER A 395 ? 0.2908 0.2487 0.1459 -0.0215 0.0380  -0.0129 395  SER A OG   
5602 H  H    . SER A 395 ? 0.2140 0.1769 0.0423 -0.0014 0.0043  -0.0072 395  SER A H    
5603 H  HA   . SER A 395 ? 0.2152 0.1851 0.0501 -0.0011 0.0057  -0.0078 395  SER A HA   
5604 H  HB2  . SER A 395 ? 0.2409 0.2157 0.0685 -0.0078 0.0122  -0.0088 395  SER A HB2  
5605 H  HB3  . SER A 395 ? 0.2394 0.2154 0.0679 -0.0073 0.0115  -0.0086 395  SER A HB3  
5606 H  HG   . SER A 395 ? 0.2433 0.2433 0.2433 0.0000  0.0000  0.0000  395  SER A HG   
5607 N  N    . PRO A 396 ? 0.2335 0.1738 0.0863 0.0056  0.0349  -0.0170 396  PRO A N    
5608 C  CA   . PRO A 396 ? 0.2326 0.1917 0.0882 0.0136  0.0246  -0.0191 396  PRO A CA   
5609 C  C    . PRO A 396 ? 0.2581 0.1897 0.0974 0.0290  0.0199  -0.0360 396  PRO A C    
5610 O  O    . PRO A 396 ? 0.2853 0.2038 0.1907 0.0285  0.0049  -0.0058 396  PRO A O    
5611 C  CB   . PRO A 396 ? 0.2392 0.2240 0.1527 -0.0019 0.0349  -0.0240 396  PRO A CB   
5612 C  CG   . PRO A 396 ? 0.2739 0.2641 0.1843 0.0058  0.0299  -0.0003 396  PRO A CG   
5613 C  CD   . PRO A 396 ? 0.2662 0.1876 0.0870 0.0113  0.0139  0.0048  396  PRO A CD   
5614 H  HA   . PRO A 396 ? 0.2376 0.1912 0.0938 0.0117  0.0264  -0.0242 396  PRO A HA   
5615 H  HB2  . PRO A 396 ? 0.2434 0.2222 0.1388 0.0027  0.0310  -0.0180 396  PRO A HB2  
5616 H  HB3  . PRO A 396 ? 0.2424 0.2206 0.1387 0.0029  0.0309  -0.0186 396  PRO A HB3  
5617 H  HG2  . PRO A 396 ? 0.2643 0.2428 0.1579 0.0086  0.0287  0.0061  396  PRO A HG2  
5618 H  HG3  . PRO A 396 ? 0.2692 0.2389 0.1523 0.0105  0.0252  -0.0049 396  PRO A HG3  
5619 H  HD2  . PRO A 396 ? 0.2546 0.1941 0.0951 0.0086  0.0189  -0.0020 396  PRO A HD2  
5620 H  HD3  . PRO A 396 ? 0.2568 0.1924 0.0989 0.0088  0.0216  -0.0021 396  PRO A HD3  
5621 N  N    . ASP A 397 ? 0.2558 0.1842 0.1224 0.0183  0.0380  -0.0383 397  ASP A N    
5622 C  CA   . ASP A 397 ? 0.2938 0.1859 0.1396 0.0183  0.0520  -0.0571 397  ASP A CA   
5623 C  C    . ASP A 397 ? 0.2828 0.1805 0.1202 0.0019  0.0307  -0.0502 397  ASP A C    
5624 O  O    . ASP A 397 ? 0.2995 0.1757 0.1889 0.0046  0.0297  -0.0370 397  ASP A O    
5625 C  CB   . ASP A 397 ? 0.3459 0.2464 0.1583 0.0112  0.0388  -0.0921 397  ASP A CB   
5626 C  CG   . ASP A 397 ? 0.3821 0.3611 0.2661 0.0327  0.0566  -0.0597 397  ASP A CG   
5627 O  OD1  . ASP A 397 ? 0.4090 0.4362 0.3620 0.1048  0.0974  -0.0905 397  ASP A OD1  
5628 O  OD2  . ASP A 397 ? 0.4943 0.5227 0.3812 0.0402  0.0149  0.0068  397  ASP A OD2  
5629 H  H    . ASP A 397 ? 0.2633 0.1862 0.1185 0.0208  0.0361  -0.0412 397  ASP A H    
5630 H  HA   . ASP A 397 ? 0.2914 0.1938 0.1348 0.0142  0.0431  -0.0567 397  ASP A HA   
5631 H  HB2  . ASP A 397 ? 0.3385 0.2439 0.1671 0.0151  0.0473  -0.0774 397  ASP A HB2  
5632 H  HB3  . ASP A 397 ? 0.3355 0.2438 0.1666 0.0168  0.0460  -0.0765 397  ASP A HB3  
5633 N  N    . ASP A 398 ? 0.2310 0.1805 0.0922 -0.0044 0.0198  -0.0362 398  ASP A N    
5634 C  CA   . ASP A 398 ? 0.2206 0.1828 0.0737 -0.0108 -0.0003 -0.0303 398  ASP A CA   
5635 C  C    . ASP A 398 ? 0.1915 0.1528 0.0725 -0.0001 -0.0057 -0.0400 398  ASP A C    
5636 O  O    . ASP A 398 ? 0.2083 0.1544 0.0671 -0.0030 -0.0008 -0.0345 398  ASP A O    
5637 C  CB   . ASP A 398 ? 0.2108 0.1906 0.0870 -0.0080 -0.0075 -0.0317 398  ASP A CB   
5638 C  CG   . ASP A 398 ? 0.2170 0.1759 0.0755 -0.0260 -0.0013 -0.0183 398  ASP A CG   
5639 O  OD1  . ASP A 398 ? 0.2350 0.1818 0.1190 -0.0183 -0.0111 0.0020  398  ASP A OD1  
5640 O  OD2  . ASP A 398 ? 0.2441 0.1694 0.1052 -0.0238 0.0065  -0.0229 398  ASP A OD2  
5641 H  H    . ASP A 398 ? 0.2376 0.1802 0.0926 -0.0044 0.0172  -0.0372 398  ASP A H    
5642 H  HA   . ASP A 398 ? 0.2149 0.1780 0.0795 -0.0062 0.0013  -0.0331 398  ASP A HA   
5643 H  HB2  . ASP A 398 ? 0.2149 0.1857 0.0839 -0.0127 -0.0034 -0.0283 398  ASP A HB2  
5644 H  HB3  . ASP A 398 ? 0.2153 0.1869 0.0819 -0.0117 -0.0036 -0.0277 398  ASP A HB3  
5645 N  N    . ARG A 399 ? 0.2024 0.1509 0.0795 -0.0211 -0.0036 -0.0299 399  ARG A N    
5646 C  CA   . ARG A 399 ? 0.2064 0.1530 0.0850 -0.0228 -0.0037 -0.0291 399  ARG A CA   
5647 C  C    . ARG A 399 ? 0.2161 0.1504 0.1115 -0.0346 -0.0063 -0.0242 399  ARG A C    
5648 O  O    . ARG A 399 ? 0.2780 0.1544 0.1251 -0.0641 -0.0113 -0.0143 399  ARG A O    
5649 C  CB   . ARG A 399 ? 0.2019 0.1691 0.0895 -0.0088 0.0102  -0.0327 399  ARG A CB   
5650 C  CG   . ARG A 399 ? 0.1874 0.1738 0.0919 -0.0102 -0.0028 -0.0235 399  ARG A CG   
5651 C  CD   . ARG A 399 ? 0.1812 0.1595 0.0876 -0.0155 -0.0041 -0.0093 399  ARG A CD   
5652 N  NE   . ARG A 399 ? 0.1742 0.1565 0.0763 -0.0106 -0.0022 -0.0209 399  ARG A NE   
5653 C  CZ   . ARG A 399 ? 0.1681 0.1468 0.0819 -0.0058 0.0126  -0.0292 399  ARG A CZ   
5654 N  NH1  . ARG A 399 ? 0.1817 0.1387 0.0973 0.0006  -0.0006 -0.0502 399  ARG A NH1  
5655 N  NH2  . ARG A 399 ? 0.1546 0.1607 0.0873 -0.0118 0.0106  -0.0188 399  ARG A NH2  
5656 H  H    . ARG A 399 ? 0.2009 0.1524 0.0793 -0.0163 -0.0040 -0.0319 399  ARG A H    
5657 H  HA   . ARG A 399 ? 0.2056 0.1536 0.0887 -0.0214 -0.0016 -0.0294 399  ARG A HA   
5658 H  HB2  . ARG A 399 ? 0.1998 0.1650 0.0885 -0.0122 0.0044  -0.0310 399  ARG A HB2  
5659 H  HB3  . ARG A 399 ? 0.2002 0.1662 0.0916 -0.0127 0.0049  -0.0309 399  ARG A HB3  
5660 H  HG2  . ARG A 399 ? 0.1890 0.1690 0.0904 -0.0111 -0.0001 -0.0225 399  ARG A HG2  
5661 H  HG3  . ARG A 399 ? 0.1888 0.1692 0.0903 -0.0110 -0.0001 -0.0222 399  ARG A HG3  
5662 H  HD2  . ARG A 399 ? 0.1808 0.1614 0.0843 -0.0130 -0.0039 -0.0147 399  ARG A HD2  
5663 H  HD3  . ARG A 399 ? 0.1820 0.1613 0.0854 -0.0133 -0.0035 -0.0157 399  ARG A HD3  
5664 H  HE   . ARG A 399 ? 0.1727 0.1549 0.0802 -0.0105 0.0006  -0.0203 399  ARG A HE   
5665 H  HH11 . ARG A 399 ? 0.1775 0.1414 0.0923 -0.0018 0.0032  -0.0429 399  ARG A HH11 
5666 H  HH12 . ARG A 399 ? 0.1772 0.1410 0.0924 -0.0014 0.0035  -0.0430 399  ARG A HH12 
5667 H  HH21 . ARG A 399 ? 0.1588 0.1566 0.0858 -0.0099 0.0111  -0.0224 399  ARG A HH21 
5668 H  HH22 . ARG A 399 ? 0.1573 0.1564 0.0856 -0.0097 0.0106  -0.0220 399  ARG A HH22 
5669 N  N    . GLU A 400 ? 0.2045 0.1533 0.1104 -0.0370 0.0001  -0.0131 400  GLU A N    
5670 C  CA   . GLU A 400 ? 0.2070 0.1544 0.1497 -0.0337 0.0098  -0.0065 400  GLU A CA   
5671 C  C    . GLU A 400 ? 0.2082 0.1471 0.1254 -0.0261 0.0114  -0.0156 400  GLU A C    
5672 O  O    . GLU A 400 ? 0.2534 0.1724 0.2001 -0.0632 -0.0207 0.0152  400  GLU A O    
5673 C  CB   . GLU A 400 ? 0.2189 0.1732 0.1687 -0.0275 0.0204  -0.0275 400  GLU A CB   
5674 C  CG   . GLU A 400 ? 0.2355 0.2127 0.2692 -0.0360 0.0131  -0.0359 400  GLU A CG   
5675 C  CD   . GLU A 400 ? 0.2545 0.2679 0.3870 -0.0303 0.0411  -0.0419 400  GLU A CD   
5676 O  OE1  . GLU A 400 ? 0.3138 0.3493 0.4245 -0.0424 0.0652  -0.1400 400  GLU A OE1  
5677 O  OE2  . GLU A 400 ? 0.3047 0.2688 0.5291 -0.0187 0.0078  -0.0085 400  GLU A OE2  
5678 H  H    . GLU A 400 ? 0.2075 0.1529 0.1180 -0.0349 0.0008  -0.0147 400  GLU A H    
5679 H  HA   . GLU A 400 ? 0.2097 0.1581 0.1410 -0.0306 0.0110  -0.0107 400  GLU A HA   
5680 H  HB2  . GLU A 400 ? 0.2183 0.1729 0.1788 -0.0314 0.0160  -0.0251 400  GLU A HB2  
5681 H  HB3  . GLU A 400 ? 0.2184 0.1738 0.1792 -0.0310 0.0167  -0.0236 400  GLU A HB3  
5682 H  HG2  . GLU A 400 ? 0.2335 0.2095 0.2540 -0.0316 0.0203  -0.0342 400  GLU A HG2  
5683 H  HG3  . GLU A 400 ? 0.2338 0.2110 0.2547 -0.0305 0.0187  -0.0370 400  GLU A HG3  
5684 N  N    . PHE A 401 ? 0.1997 0.1623 0.1300 -0.0162 0.0098  0.0034  401  PHE A N    
5685 C  CA   . PHE A 401 ? 0.2157 0.1548 0.1611 0.0048  0.0011  -0.0029 401  PHE A CA   
5686 C  C    . PHE A 401 ? 0.2380 0.1377 0.1768 0.0103  0.0094  -0.0007 401  PHE A C    
5687 O  O    . PHE A 401 ? 0.2167 0.1506 0.1624 0.0012  -0.0070 -0.0056 401  PHE A O    
5688 C  CB   . PHE A 401 ? 0.2084 0.1564 0.1374 0.0099  -0.0148 0.0078  401  PHE A CB   
5689 C  CG   . PHE A 401 ? 0.2036 0.1584 0.1459 -0.0090 -0.0021 0.0102  401  PHE A CG   
5690 C  CD1  . PHE A 401 ? 0.2346 0.1677 0.1739 -0.0136 0.0102  0.0093  401  PHE A CD1  
5691 C  CD2  . PHE A 401 ? 0.2191 0.1715 0.1539 -0.0071 0.0079  0.0197  401  PHE A CD2  
5692 C  CE1  . PHE A 401 ? 0.2220 0.1774 0.1740 -0.0349 0.0103  0.0163  401  PHE A CE1  
5693 C  CE2  . PHE A 401 ? 0.2240 0.1735 0.1688 -0.0172 0.0052  0.0157  401  PHE A CE2  
5694 C  CZ   . PHE A 401 ? 0.2371 0.1890 0.1481 -0.0236 0.0231  0.0053  401  PHE A CZ   
5695 H  H    . PHE A 401 ? 0.2052 0.1553 0.1344 -0.0148 0.0085  -0.0020 401  PHE A H    
5696 H  HA   . PHE A 401 ? 0.2156 0.1567 0.1532 0.0028  0.0009  0.0002  401  PHE A HA   
5697 H  HB2  . PHE A 401 ? 0.2085 0.1580 0.1440 0.0056  -0.0090 0.0060  401  PHE A HB2  
5698 H  HB3  . PHE A 401 ? 0.2061 0.1557 0.1413 0.0068  -0.0116 0.0082  401  PHE A HB3  
5699 H  HD1  . PHE A 401 ? 0.2236 0.1682 0.1660 -0.0174 0.0072  0.0110  401  PHE A HD1  
5700 H  HD2  . PHE A 401 ? 0.2153 0.1679 0.1537 -0.0099 0.0050  0.0163  401  PHE A HD2  
5701 H  HE1  . PHE A 401 ? 0.2274 0.1758 0.1664 -0.0279 0.0140  0.0138  401  PHE A HE1  
5702 H  HE2  . PHE A 401 ? 0.2243 0.1750 0.1589 -0.0157 0.0096  0.0143  401  PHE A HE2  
5703 H  HZ   . PHE A 401 ? 0.2290 0.1822 0.1591 -0.0241 0.0165  0.0103  401  PHE A HZ   
5704 N  N    . PRO A 402 ? 0.2378 0.1672 0.2051 0.0247  0.0015  -0.0069 402  PRO A N    
5705 C  CA   . PRO A 402 ? 0.2409 0.1860 0.2228 0.0212  0.0014  -0.0253 402  PRO A CA   
5706 C  C    . PRO A 402 ? 0.2121 0.1819 0.1967 0.0240  0.0074  -0.0598 402  PRO A C    
5707 O  O    . PRO A 402 ? 0.1904 0.1797 0.1534 0.0194  0.0009  -0.0479 402  PRO A O    
5708 C  CB   . PRO A 402 ? 0.2830 0.2099 0.2424 0.0399  -0.0131 -0.0072 402  PRO A CB   
5709 C  CG   . PRO A 402 ? 0.2920 0.2078 0.2276 0.0292  -0.0266 -0.0069 402  PRO A CG   
5710 C  CD   . PRO A 402 ? 0.2969 0.1850 0.2179 0.0198  -0.0208 0.0125  402  PRO A CD   
5711 H  HA   . PRO A 402 ? 0.2396 0.1852 0.2193 0.0254  0.0008  -0.0247 402  PRO A HA   
5712 H  HB2  . PRO A 402 ? 0.2759 0.2048 0.2379 0.0346  -0.0096 -0.0090 402  PRO A HB2  
5713 H  HB3  . PRO A 402 ? 0.2758 0.2047 0.2358 0.0320  -0.0132 -0.0098 402  PRO A HB3  
5714 H  HG2  . PRO A 402 ? 0.2913 0.2029 0.2289 0.0292  -0.0221 -0.0029 402  PRO A HG2  
5715 H  HG3  . PRO A 402 ? 0.2912 0.2018 0.2277 0.0290  -0.0225 -0.0034 402  PRO A HG3  
5716 H  HD2  . PRO A 402 ? 0.2803 0.1858 0.2201 0.0236  -0.0158 0.0052  402  PRO A HD2  
5717 H  HD3  . PRO A 402 ? 0.2828 0.1857 0.2162 0.0251  -0.0153 0.0039  402  PRO A HD3  
5718 N  N    . LYS A 403 ? 0.2454 0.2143 0.1896 0.0034  0.0165  -0.0787 403  LYS A N    
5719 C  CA   . LYS A 403 ? 0.2658 0.2243 0.2055 -0.0035 0.0173  -0.0930 403  LYS A CA   
5720 C  C    . LYS A 403 ? 0.2328 0.2202 0.2475 0.0320  -0.0065 -0.0822 403  LYS A C    
5721 O  O    . LYS A 403 ? 0.2497 0.2246 0.3699 0.0417  -0.0393 -0.0854 403  LYS A O    
5722 C  CB   . LYS A 403 ? 0.3200 0.2834 0.2087 -0.0095 0.0294  -0.0674 403  LYS A CB   
5723 C  CG   . LYS A 403 ? 0.3848 0.3181 0.2649 -0.0243 0.0519  -0.0747 403  LYS A CG   
5724 C  CD   . LYS A 403 ? 0.4696 0.3953 0.2599 -0.0169 0.0845  -0.0510 403  LYS A CD   
5725 C  CE   . LYS A 403 ? 0.5278 0.4396 0.3454 0.0190  0.0914  -0.0294 403  LYS A CE   
5726 N  NZ   . LYS A 403 ? 0.5458 0.5200 0.3768 0.0403  0.1112  -0.0736 403  LYS A NZ   
5727 H  H    . LYS A 403 ? 0.2419 0.2076 0.1944 0.0075  0.0145  -0.0769 403  LYS A H    
5728 H  HA   . LYS A 403 ? 0.2633 0.2312 0.2096 0.0023  0.0145  -0.0838 403  LYS A HA   
5729 H  HB2  . LYS A 403 ? 0.3154 0.2720 0.2178 -0.0104 0.0313  -0.0751 403  LYS A HB2  
5730 H  HB3  . LYS A 403 ? 0.3155 0.2723 0.2180 -0.0117 0.0304  -0.0757 403  LYS A HB3  
5731 H  HG2  . LYS A 403 ? 0.3807 0.3205 0.2481 -0.0186 0.0536  -0.0676 403  LYS A HG2  
5732 H  HG3  . LYS A 403 ? 0.3808 0.3218 0.2473 -0.0204 0.0523  -0.0678 403  LYS A HG3  
5733 H  HD2  . LYS A 403 ? 0.4544 0.3786 0.2757 -0.0106 0.0792  -0.0516 403  LYS A HD2  
5734 H  HD3  . LYS A 403 ? 0.4597 0.3824 0.2751 -0.0164 0.0775  -0.0525 403  LYS A HD3  
5735 H  HE2  . LYS A 403 ? 0.5197 0.4435 0.3280 0.0170  0.0974  -0.0420 403  LYS A HE2  
5736 H  HE3  . LYS A 403 ? 0.5164 0.4429 0.3262 0.0138  0.0945  -0.0435 403  LYS A HE3  
5737 H  HZ1  . LYS A 403 ? 0.5427 0.4974 0.3671 0.0333  0.1048  -0.0601 403  LYS A HZ1  
5738 H  HZ2  . LYS A 403 ? 0.5442 0.4973 0.3684 0.0359  0.1069  -0.0592 403  LYS A HZ2  
5739 H  HZ3  . LYS A 403 ? 0.5422 0.5077 0.3694 0.0375  0.1035  -0.0653 403  LYS A HZ3  
5740 N  N    . GLN A 404 ? 0.2189 0.2204 0.1734 0.0238  0.0066  -0.0718 404  GLN A N    
5741 C  CA   . GLN A 404 ? 0.2512 0.2383 0.2110 0.0279  -0.0166 -0.0552 404  GLN A CA   
5742 C  C    . GLN A 404 ? 0.2524 0.2658 0.2204 0.0358  0.0195  -0.0561 404  GLN A C    
5743 O  O    . GLN A 404 ? 0.3091 0.3466 0.2033 -0.0363 0.0478  -0.0638 404  GLN A O    
5744 C  CB   . GLN A 404 ? 0.2678 0.2378 0.2308 0.0442  -0.0257 -0.0629 404  GLN A CB   
5745 C  CG   . GLN A 404 ? 0.2577 0.2389 0.1989 0.0528  -0.0449 -0.0578 404  GLN A CG   
5746 C  CD   . GLN A 404 ? 0.2924 0.2705 0.2145 0.0652  -0.0548 -0.0446 404  GLN A CD   
5747 O  OE1  . GLN A 404 ? 0.3599 0.2831 0.2189 0.0918  -0.0986 -0.0268 404  GLN A OE1  
5748 N  NE2  . GLN A 404 ? 0.2986 0.2822 0.2788 0.0504  -0.0505 -0.0173 404  GLN A NE2  
5749 H  H    . GLN A 404 ? 0.2286 0.2233 0.1967 0.0268  -0.0011 -0.0704 404  GLN A H    
5750 H  HA   . GLN A 404 ? 0.2465 0.2370 0.2075 0.0318  -0.0072 -0.0598 404  GLN A HA   
5751 H  HB2  . GLN A 404 ? 0.2622 0.2400 0.2198 0.0422  -0.0272 -0.0604 404  GLN A HB2  
5752 H  HB3  . GLN A 404 ? 0.2649 0.2393 0.2232 0.0432  -0.0249 -0.0584 404  GLN A HB3  
5753 H  HG2  . GLN A 404 ? 0.2629 0.2442 0.2031 0.0525  -0.0460 -0.0570 404  GLN A HG2  
5754 H  HG3  . GLN A 404 ? 0.2648 0.2429 0.2056 0.0548  -0.0418 -0.0583 404  GLN A HG3  
5755 H  HE21 . GLN A 404 ? 0.3006 0.2778 0.2598 0.0547  -0.0470 -0.0276 404  GLN A HE21 
5756 H  HE22 . GLN A 404 ? 0.2980 0.2793 0.2570 0.0553  -0.0509 -0.0270 404  GLN A HE22 
5757 N  N    . CYS A 405 ? 0.2717 0.2992 0.2443 0.0253  -0.0084 -0.0686 405  CYS A N    
5758 C  CA   . CYS A 405 ? 0.2757 0.3617 0.2770 0.0438  0.0403  -0.0388 405  CYS A CA   
5759 C  C    . CYS A 405 ? 0.2739 0.4979 0.3283 0.0575  0.1110  -0.0241 405  CYS A C    
5760 O  O    . CYS A 405 ? 0.3499 0.5741 0.4492 0.0047  0.1710  -0.0604 405  CYS A O    
5761 C  CB   . CYS A 405 ? 0.3345 0.3868 0.1794 0.0594  0.0240  0.0223  405  CYS A CB   
5762 S  SG   . CYS A 405 ? 0.2843 0.2872 0.2974 0.0090  -0.0205 0.0394  405  CYS A SG   
5763 H  H    . CYS A 405 ? 0.2669 0.3004 0.2470 0.0321  0.0078  -0.0620 405  CYS A H    
5764 H  HA   . CYS A 405 ? 0.2876 0.3647 0.2642 0.0445  0.0411  -0.0307 405  CYS A HA   
5765 H  HB2  . CYS A 405 ? 0.3099 0.3603 0.1995 0.0491  0.0118  0.0170  405  CYS A HB2  
5766 H  HB3  . CYS A 405 ? 0.3226 0.3641 0.2236 0.0535  0.0205  0.0140  405  CYS A HB3  
5767 C  C1   . EDO B .   ? 0.4109 0.5761 0.3676 0.0178  0.0503  0.1406  501  EDO A C1   
5768 O  O1   . EDO B .   ? 0.4435 0.6073 0.3814 0.0543  0.0879  0.1409  501  EDO A O1   
5769 C  C2   . EDO B .   ? 0.3828 0.5326 0.2729 0.0138  0.0306  0.1258  501  EDO A C2   
5770 O  O2   . EDO B .   ? 0.2340 0.4623 0.2286 0.0069  0.0050  0.1637  501  EDO A O2   
5771 H  H11  . EDO B .   ? 0.4108 0.5731 0.3441 0.0257  0.0522  0.1318  501  EDO A H11  
5772 H  H12  . EDO B .   ? 0.4116 0.5682 0.3465 0.0264  0.0541  0.1330  501  EDO A H12  
5773 H  HO1  . EDO B .   ? 0.4932 0.4932 0.4932 0.0000  0.0000  0.0000  501  EDO A HO1  
5774 H  H21  . EDO B .   ? 0.3441 0.5247 0.2754 0.0070  0.0264  0.1382  501  EDO A H21  
5775 H  H22  . EDO B .   ? 0.3351 0.5105 0.2784 0.0116  0.0275  0.1359  501  EDO A H22  
5776 H  HO2  . EDO B .   ? 0.2656 0.4776 0.2364 0.0103  0.0142  0.1528  501  EDO A HO2  
5777 C  C1   . GOL C .   ? 0.3799 0.4706 0.4512 0.0982  0.0200  -0.0013 502  GOL A C1   
5778 O  O1   . GOL C .   ? 0.4058 0.6013 0.3315 0.0508  0.0447  0.0063  502  GOL A O1   
5779 C  C2   . GOL C .   ? 0.4240 0.4495 0.4934 0.0548  0.0162  -0.0381 502  GOL A C2   
5780 O  O2   . GOL C .   ? 0.3683 0.5048 0.5685 0.0362  -0.0363 -0.0009 502  GOL A O2   
5781 C  C3   . GOL C .   ? 0.4399 0.4650 0.3723 0.0787  0.0519  -0.0684 502  GOL A C3   
5782 O  O3   . GOL C .   ? 0.4120 0.3214 0.2909 0.0702  0.0407  -0.0913 502  GOL A O3   
5783 H  H11  . GOL C .   ? 0.3788 0.4668 0.3954 0.0724  0.0234  -0.0082 502  GOL A H11  
5784 H  H12  . GOL C .   ? 0.3940 0.4901 0.4339 0.0772  0.0285  -0.0064 502  GOL A H12  
5785 H  HO1  . GOL C .   ? 0.4609 0.4609 0.4609 0.0000  0.0000  0.0000  502  GOL A HO1  
5786 H  H2   . GOL C .   ? 0.4096 0.4659 0.4822 0.0644  0.0127  -0.0326 502  GOL A H2   
5787 H  HO2  . GOL C .   ? 0.4985 0.4985 0.4985 0.0000  0.0000  0.0000  502  GOL A HO2  
5788 H  H31  . GOL C .   ? 0.4156 0.4050 0.3606 0.0685  0.0383  -0.0705 502  GOL A H31  
5789 H  H32  . GOL C .   ? 0.4172 0.4186 0.3496 0.0587  0.0437  -0.0737 502  GOL A H32  
5790 H  HO3  . GOL C .   ? 0.4144 0.3444 0.3015 0.0784  0.0495  -0.0938 502  GOL A HO3  
5791 C  C2   . BGC D .   ? 0.3125 0.3626 0.1436 -0.0164 -0.0250 0.0044  503  BGC A C2   
5792 C  C3   . BGC D .   ? 0.2874 0.3278 0.1843 -0.0421 -0.0151 -0.0344 503  BGC A C3   
5793 C  C4   . BGC D .   ? 0.2778 0.3209 0.1378 -0.0217 -0.0034 -0.0149 503  BGC A C4   
5794 C  C5   . BGC D .   ? 0.2662 0.3091 0.1468 -0.0014 -0.0080 0.0310  503  BGC A C5   
5795 C  C6   . BGC D .   ? 0.2846 0.3022 0.1331 -0.0540 -0.0008 0.0536  503  BGC A C6   
5796 C  C1   . BGC D .   ? 0.2779 0.3397 0.0889 0.0170  -0.0443 0.0069  503  BGC A C1   
5797 O  O1   . BGC D .   ? 0.2567 0.3238 0.0658 0.0318  -0.0324 0.0278  503  BGC A O1   
5798 O  O2   . BGC D .   ? 0.4069 0.4048 0.1533 -0.0371 -0.0034 -0.0246 503  BGC A O2   
5799 O  O3   . BGC D .   ? 0.3669 0.3830 0.1684 -0.0388 0.0665  0.0189  503  BGC A O3   
5800 O  O4   . BGC D .   ? 0.2758 0.3658 0.2528 -0.0304 -0.0331 0.0267  503  BGC A O4   
5801 O  O5   . BGC D .   ? 0.2843 0.3340 0.1199 0.0166  -0.0454 0.0024  503  BGC A O5   
5802 O  O6   . BGC D .   ? 0.2781 0.2507 0.1122 -0.0721 0.0133  0.0385  503  BGC A O6   
5803 H  H2   . BGC D .   ? 0.3130 0.3555 0.1404 -0.0169 -0.0234 -0.0056 503  BGC A H2   
5804 H  H3   . BGC D .   ? 0.3003 0.3420 0.1659 -0.0321 -0.0007 -0.0154 503  BGC A H3   
5805 H  H4   . BGC D .   ? 0.2772 0.3262 0.1655 -0.0229 -0.0112 -0.0021 503  BGC A H4   
5806 H  H5   . BGC D .   ? 0.2753 0.3125 0.1363 -0.0117 -0.0128 0.0226  503  BGC A H5   
5807 H  H61  . BGC D .   ? 0.2754 0.2895 0.1270 -0.0463 0.0013  0.0424  503  BGC A H61  
5808 H  H62  . BGC D .   ? 0.2806 0.2898 0.1304 -0.0472 0.0021  0.0438  503  BGC A H62  
5809 H  H1   . BGC D .   ? 0.2802 0.3403 0.0994 0.0152  -0.0383 0.0105  503  BGC A H1   
5810 H  HO1  . BGC D .   ? 0.2633 0.3255 0.0729 0.0253  -0.0349 0.0231  503  BGC A HO1  
5811 H  HO2  . BGC D .   ? 0.3549 0.3549 0.3549 0.0000  0.0000  0.0000  503  BGC A HO2  
5812 H  HO3  . BGC D .   ? 0.3242 0.3242 0.3242 0.0000  0.0000  0.0000  503  BGC A HO3  
5813 H  HO4  . BGC D .   ? 0.3153 0.3153 0.3153 0.0000  0.0000  0.0000  503  BGC A HO4  
5814 H  HO6  . BGC D .   ? 0.2139 0.2139 0.2139 0.0000  0.0000  0.0000  503  BGC A HO6  
5815 C  C1   . GOL E .   ? 0.2272 0.3992 0.2915 0.0057  -0.0306 0.0295  504  GOL A C1   
5816 O  O1   . GOL E .   ? 0.1961 0.4112 0.2627 0.0319  0.0177  0.0188  504  GOL A O1   
5817 C  C2   . GOL E .   ? 0.2275 0.3889 0.2840 0.0206  -0.0475 0.0302  504  GOL A C2   
5818 O  O2   . GOL E .   ? 0.2782 0.4491 0.4163 -0.0035 0.0209  0.0437  504  GOL A O2   
5819 C  C3   . GOL E .   ? 0.1659 0.3103 0.1278 -0.0199 -0.0478 0.0541  504  GOL A C3   
5820 O  O3   . GOL E .   ? 0.1872 0.2889 0.0700 -0.0462 -0.0293 0.0504  504  GOL A O3   
5821 H  H11  . GOL E .   ? 0.2193 0.3895 0.2713 0.0158  -0.0214 0.0263  504  GOL A H11  
5822 H  H12  . GOL E .   ? 0.2210 0.3980 0.2821 0.0149  -0.0208 0.0261  504  GOL A H12  
5823 H  HO1  . GOL E .   ? 0.2948 0.2948 0.2948 0.0000  0.0000  0.0000  504  GOL A HO1  
5824 H  H2   . GOL E .   ? 0.2128 0.3669 0.2586 0.0026  -0.0276 0.0328  504  GOL A H2   
5825 H  HO2  . GOL E .   ? 0.4256 0.4256 0.4256 0.0000  0.0000  0.0000  504  GOL A HO2  
5826 H  H31  . GOL E .   ? 0.1703 0.3119 0.1264 -0.0224 -0.0439 0.0495  504  GOL A H31  
5827 H  H32  . GOL E .   ? 0.1773 0.3120 0.1234 -0.0207 -0.0438 0.0506  504  GOL A H32  
5828 H  HO3  . GOL E .   ? 0.1816 0.2882 0.0820 -0.0369 -0.0326 0.0498  504  GOL A HO3  
5829 C  C2   . BGC F .   ? 0.1944 0.2076 0.0672 0.0031  0.0052  -0.0221 505  BGC A C2   
5830 C  C3   . BGC F .   ? 0.1747 0.2175 0.0895 0.0024  0.0055  -0.0127 505  BGC A C3   
5831 C  C4   . BGC F .   ? 0.1612 0.2068 0.1071 -0.0005 0.0039  -0.0161 505  BGC A C4   
5832 C  C5   . BGC F .   ? 0.1704 0.2239 0.1153 -0.0002 -0.0182 0.0056  505  BGC A C5   
5833 C  C6   . BGC F .   ? 0.1976 0.2425 0.1113 -0.0220 -0.0248 0.0060  505  BGC A C6   
5834 C  C1   . BGC F .   ? 0.1946 0.2210 0.0807 -0.0060 0.0028  -0.0110 505  BGC A C1   
5835 O  O1   . BGC F .   ? 0.1429 0.2014 0.0085 -0.0178 0.0129  -0.0154 505  BGC A O1   
5836 O  O2   . BGC F .   ? 0.2019 0.2066 0.1602 -0.0160 0.0344  -0.0292 505  BGC A O2   
5837 O  O3   . BGC F .   ? 0.1420 0.2249 0.0459 0.0162  -0.0094 -0.0012 505  BGC A O3   
5838 O  O4   . BGC F .   ? 0.1518 0.1842 0.0584 -0.0169 0.0327  -0.0081 505  BGC A O4   
5839 O  O5   . BGC F .   ? 0.1622 0.2130 0.0494 -0.0139 0.0022  -0.0112 505  BGC A O5   
5840 O  O6   . BGC F .   ? 0.1701 0.2765 0.0775 -0.0033 -0.0044 0.0069  505  BGC A O6   
5841 H  H2   . BGC F .   ? 0.1908 0.2098 0.0748 -0.0029 0.0069  -0.0246 505  BGC A H2   
5842 H  H3   . BGC F .   ? 0.1674 0.2156 0.0795 0.0058  0.0029  -0.0091 505  BGC A H3   
5843 H  H4   . BGC F .   ? 0.1628 0.2063 0.0952 -0.0034 0.0078  -0.0091 505  BGC A H4   
5844 H  H5   . BGC F .   ? 0.1720 0.2237 0.1040 -0.0051 -0.0075 0.0026  505  BGC A H5   
5845 H  H61  . BGC F .   ? 0.1904 0.2461 0.1041 -0.0118 -0.0181 0.0062  505  BGC A H61  
5846 H  H62  . BGC F .   ? 0.1864 0.2483 0.1045 -0.0132 -0.0183 0.0065  505  BGC A H62  
5847 H  H1   . BGC F .   ? 0.1754 0.2143 0.0617 -0.0051 0.0111  -0.0070 505  BGC A H1   
5848 H  HO1  . BGC F .   ? 0.1522 0.2040 0.0171 -0.0144 0.0108  -0.0144 505  BGC A HO1  
5849 H  HO2  . BGC F .   ? 0.1953 0.1953 0.1953 0.0000  0.0000  0.0000  505  BGC A HO2  
5850 H  HO3  . BGC F .   ? 0.1384 0.1384 0.1384 0.0000  0.0000  0.0000  505  BGC A HO3  
5851 H  HO4  . BGC F .   ? 0.1349 0.1349 0.1349 0.0000  0.0000  0.0000  505  BGC A HO4  
5852 H  HO6  . BGC F .   ? 0.1784 0.1784 0.1784 0.0000  0.0000  0.0000  505  BGC A HO6  
5853 CL CL   . CL  G .   ? 0.4244 0.5881 0.3624 -0.1329 -0.0632 0.1876  506  CL  A CL   
5854 NA NA   . NA  H .   ? 0.2362 0.5885 0.3689 -0.0991 0.1320  -0.2954 507  NA  A NA   
5855 O  O    . HOH I .   ? 0.2486 0.2920 0.2672 -0.0636 -0.0655 0.0031  601  HOH A O    
5856 O  O    . HOH I .   ? 1.4824 0.7869 1.2249 -0.2400 -0.1188 0.1337  602  HOH A O    
5857 O  O    . HOH I .   ? 0.6219 0.6344 0.5549 -0.0391 -0.0380 0.1715  603  HOH A O    
5858 O  O    . HOH I .   ? 0.5620 0.3760 0.2127 -0.1351 -0.1179 0.0205  604  HOH A O    
5859 O  O    . HOH I .   ? 0.6637 0.6119 0.4455 0.0612  0.1936  0.1788  605  HOH A O    
5860 O  O    . HOH I .   ? 0.4451 0.7580 0.6209 -0.0415 -0.0102 0.0548  606  HOH A O    
5861 O  O    . HOH I .   ? 0.2397 0.7819 0.0168 -0.1296 -0.0362 0.0787  607  HOH A O    
5862 O  O    . HOH I .   ? 0.2777 0.7239 0.5926 -0.0503 0.0116  -0.0640 608  HOH A O    
5863 O  O    . HOH I .   ? 0.6439 0.6957 0.3128 0.0334  -0.1297 -0.1050 609  HOH A O    
5864 O  O    . HOH I .   ? 0.5938 0.6632 0.5558 -0.2267 0.2134  -0.1771 610  HOH A O    
5865 O  O    . HOH I .   ? 0.4051 0.7960 0.3412 0.0061  -0.0411 -0.1144 611  HOH A O    
5866 O  O    . HOH I .   ? 0.5144 0.6044 0.2119 0.0672  -0.0478 -0.0294 612  HOH A O    
5867 O  O    . HOH I .   ? 0.6360 0.4953 0.4805 -0.1791 -0.2469 0.1113  613  HOH A O    
5868 O  O    . HOH I .   ? 0.1481 0.2346 0.0375 0.0742  -0.0180 -0.0462 614  HOH A O    
5869 O  O    . HOH I .   ? 0.3411 0.3361 0.2537 -0.0697 0.0131  0.0316  615  HOH A O    
5870 O  O    . HOH I .   ? 0.4247 0.3077 0.3066 -0.0756 -0.0547 0.0628  616  HOH A O    
5871 O  O    . HOH I .   ? 0.4907 0.7318 0.5909 0.2336  0.0586  0.0940  617  HOH A O    
5872 O  O    . HOH I .   ? 0.2972 0.2786 0.8263 -0.0663 0.0624  -0.1677 618  HOH A O    
5873 O  O    . HOH I .   ? 0.9406 0.3666 0.3521 0.0815  0.1770  0.2087  619  HOH A O    
5874 O  O    . HOH I .   ? 0.6904 0.5934 0.1646 -0.0420 -0.0816 0.0724  620  HOH A O    
5875 O  O    . HOH I .   ? 0.4092 0.4310 0.2657 0.1398  0.0551  0.0449  621  HOH A O    
5876 O  O    . HOH I .   ? 0.2069 0.2810 0.1525 0.0116  -0.0614 0.0968  622  HOH A O    
5877 O  O    . HOH I .   ? 0.2183 0.4813 0.2830 -0.0686 0.0096  -0.0172 623  HOH A O    
5878 O  O    . HOH I .   ? 0.4568 0.5522 0.5239 -0.0553 0.1691  -0.1857 624  HOH A O    
5879 O  O    . HOH I .   ? 0.2420 0.3679 0.1072 0.0101  -0.0303 0.0576  625  HOH A O    
5880 O  O    . HOH I .   ? 0.2721 0.3285 0.2748 -0.0782 -0.0286 0.1254  626  HOH A O    
5881 O  O    . HOH I .   ? 0.4490 0.7084 0.1176 -0.0544 0.0133  -0.1147 627  HOH A O    
5882 O  O    . HOH I .   ? 0.3031 0.3518 0.4106 0.0507  0.0088  0.0523  628  HOH A O    
5883 O  O    . HOH I .   ? 0.5464 0.6708 0.5099 -0.1237 -0.0232 0.0837  629  HOH A O    
5884 O  O    . HOH I .   ? 0.5691 0.3710 0.2622 -0.1453 -0.0610 -0.1002 630  HOH A O    
5885 O  O    . HOH I .   ? 0.4432 0.2425 0.2627 -0.1338 0.0424  0.0175  631  HOH A O    
5886 O  O    . HOH I .   ? 0.1774 0.2853 0.1372 0.0252  0.0461  0.0671  632  HOH A O    
5887 O  O    . HOH I .   ? 0.6641 0.3048 0.4723 0.0006  -0.1686 -0.0578 633  HOH A O    
5888 O  O    . HOH I .   ? 0.4107 0.2916 0.3298 -0.0202 -0.0223 0.0140  634  HOH A O    
5889 O  O    . HOH I .   ? 0.1567 0.1790 0.0661 0.0005  0.0040  -0.0049 635  HOH A O    
5890 O  O    . HOH I .   ? 0.2798 0.4884 0.1230 -0.0698 0.0042  -0.0361 636  HOH A O    
5891 O  O    . HOH I .   ? 0.2168 0.2333 0.0900 -0.0016 0.0447  0.0030  637  HOH A O    
5892 O  O    . HOH I .   ? 0.4271 0.2945 0.1525 0.0324  0.1528  0.0913  638  HOH A O    
5893 O  O    . HOH I .   ? 0.2195 0.2586 0.0595 0.0037  -0.0108 0.0362  639  HOH A O    
5894 O  O    . HOH I .   ? 0.2245 0.2541 0.1710 0.0450  0.0029  0.0502  640  HOH A O    
5895 O  O    . HOH I .   ? 0.6549 0.4638 0.2108 0.2543  0.0212  0.0299  641  HOH A O    
5896 O  O    . HOH I .   ? 0.5596 0.2662 0.3695 -0.0019 0.0440  -0.0010 642  HOH A O    
5897 O  O    . HOH I .   ? 0.4582 0.5389 0.1474 0.0534  0.0028  0.0152  643  HOH A O    
5898 O  O    . HOH I .   ? 0.5891 0.6359 0.0403 0.1580  -0.1302 0.0183  644  HOH A O    
5899 O  O    . HOH I .   ? 0.3945 0.3454 0.1057 -0.0719 0.0188  0.0186  645  HOH A O    
5900 O  O    . HOH I .   ? 0.3998 0.3815 0.3281 0.0218  -0.0038 -0.0182 646  HOH A O    
5901 O  O    . HOH I .   ? 0.4076 0.2406 0.8015 0.0107  -0.0671 -0.2518 647  HOH A O    
5902 O  O    . HOH I .   ? 0.7424 0.9873 0.3458 0.2081  -0.0298 -0.0506 648  HOH A O    
5903 O  O    . HOH I .   ? 0.5834 0.4925 0.1453 -0.0121 -0.1439 -0.0538 649  HOH A O    
5904 O  O    . HOH I .   ? 0.2410 0.2048 0.0272 -0.0533 0.0010  0.0234  650  HOH A O    
5905 O  O    . HOH I .   ? 0.5085 0.3594 0.1723 -0.1212 0.1974  -0.1278 651  HOH A O    
5906 O  O    . HOH I .   ? 0.3296 0.2850 0.2228 0.0097  -0.0653 0.0242  652  HOH A O    
5907 O  O    . HOH I .   ? 0.3720 0.5758 0.4028 0.0329  0.0341  0.1477  653  HOH A O    
5908 O  O    . HOH I .   ? 0.2826 0.4294 0.1459 -0.1748 -0.0237 0.0188  654  HOH A O    
5909 O  O    . HOH I .   ? 0.2339 0.5669 0.2866 0.0665  -0.0324 -0.1013 655  HOH A O    
5910 O  O    . HOH I .   ? 0.3473 0.2582 0.7148 -0.0381 -0.2144 0.1509  656  HOH A O    
5911 O  O    . HOH I .   ? 0.1445 0.1551 0.0110 -0.0142 -0.0030 0.0263  657  HOH A O    
5912 O  O    . HOH I .   ? 0.2184 0.2774 0.1296 0.0373  -0.0644 -0.0900 658  HOH A O    
5913 O  O    . HOH I .   ? 0.2016 0.2584 0.1425 -0.0376 0.0056  0.0479  659  HOH A O    
5914 O  O    . HOH I .   ? 0.3203 0.3207 0.3166 0.0142  -0.0880 -0.0247 660  HOH A O    
5915 O  O    . HOH I .   ? 0.1257 0.1658 0.0071 -0.0311 -0.0012 0.0068  661  HOH A O    
5916 O  O    . HOH I .   ? 0.3246 0.6083 0.1903 -0.1002 0.0053  0.0751  662  HOH A O    
5917 O  O    . HOH I .   ? 0.1666 0.1999 0.0467 -0.0136 -0.0167 0.0169  663  HOH A O    
5918 O  O    . HOH I .   ? 0.1522 0.1233 0.0071 -0.0017 0.0106  -0.0015 664  HOH A O    
5919 O  O    . HOH I .   ? 0.1023 0.1391 0.0070 0.0004  0.0076  0.0027  665  HOH A O    
5920 O  O    . HOH I .   ? 0.4912 0.2586 0.1794 0.1296  -0.0217 -0.0266 666  HOH A O    
5921 O  O    . HOH I .   ? 0.1431 0.4796 0.1004 -0.0670 -0.0039 -0.0324 667  HOH A O    
5922 O  O    . HOH I .   ? 0.6418 0.3337 0.4186 -0.0586 -0.1101 0.0129  668  HOH A O    
5923 O  O    . HOH I .   ? 0.2523 0.3521 0.3196 -0.0709 0.1052  -0.1138 669  HOH A O    
5924 O  O    . HOH I .   ? 0.2136 0.2591 0.0206 0.0037  0.0069  -0.0057 670  HOH A O    
5925 O  O    . HOH I .   ? 0.3730 0.5629 0.5222 -0.0500 -0.1782 -0.2511 671  HOH A O    
5926 O  O    . HOH I .   ? 0.2793 0.6469 0.1626 -0.1291 0.0544  -0.0459 672  HOH A O    
5927 O  O    . HOH I .   ? 0.3519 0.3021 0.1945 -0.0399 -0.0044 0.0586  673  HOH A O    
5928 O  O    . HOH I .   ? 0.6035 0.3457 0.2231 -0.0187 -0.1537 0.0054  674  HOH A O    
5929 O  O    . HOH I .   ? 0.1989 0.1888 0.0568 -0.0183 0.0206  0.0439  675  HOH A O    
5930 O  O    . HOH I .   ? 0.3464 0.2059 0.1096 0.0208  0.0295  -0.0237 676  HOH A O    
5931 O  O    . HOH I .   ? 0.1693 0.2459 0.0188 -0.0447 0.0305  -0.0400 677  HOH A O    
5932 O  O    . HOH I .   ? 0.3323 0.3559 0.3932 0.0894  -0.0337 -0.1222 678  HOH A O    
5933 O  O    . HOH I .   ? 0.1218 0.1714 0.0175 -0.0042 0.0237  -0.0045 679  HOH A O    
5934 O  O    . HOH I .   ? 0.3380 0.4781 0.2215 0.0320  -0.0130 -0.1813 680  HOH A O    
5935 O  O    . HOH I .   ? 0.3875 0.6372 0.5179 0.0866  -0.1227 -0.3317 681  HOH A O    
5936 O  O    . HOH I .   ? 0.1333 0.1478 0.0065 -0.0091 -0.0045 0.0032  682  HOH A O    
5937 O  O    . HOH I .   ? 0.9642 0.3250 0.2574 0.0291  -0.2934 0.0135  683  HOH A O    
5938 O  O    . HOH I .   ? 0.1534 0.1524 0.0084 -0.0146 0.0146  0.0080  684  HOH A O    
5939 O  O    . HOH I .   ? 0.4959 0.2482 0.2664 0.1049  -0.1472 0.0504  685  HOH A O    
5940 O  O    . HOH I .   ? 0.1556 0.1927 0.1167 -0.0056 0.0311  0.0308  686  HOH A O    
5941 O  O    . HOH I .   ? 0.3418 0.4488 0.0884 -0.0825 0.0199  0.1414  687  HOH A O    
5942 O  O    . HOH I .   ? 0.2354 0.5451 0.0270 -0.0926 -0.0255 0.1050  688  HOH A O    
5943 O  O    . HOH I .   ? 0.3653 0.2395 0.1238 0.0394  0.0240  -0.0454 689  HOH A O    
5944 O  O    . HOH I .   ? 0.1456 0.1833 0.0082 0.0016  0.0163  0.0024  690  HOH A O    
5945 O  O    . HOH I .   ? 0.1171 0.1307 0.0063 -0.0023 0.0002  0.0013  691  HOH A O    
5946 O  O    . HOH I .   ? 0.3497 0.6164 0.0792 -0.0560 0.0538  0.0813  692  HOH A O    
5947 O  O    . HOH I .   ? 0.1689 0.1723 0.0777 0.0301  0.0200  0.0024  693  HOH A O    
5948 O  O    . HOH I .   ? 0.7060 0.5886 0.3752 0.2876  0.2296  0.1306  694  HOH A O    
5949 O  O    . HOH I .   ? 0.1529 0.2693 0.0397 0.0109  -0.0024 -0.0150 695  HOH A O    
5950 O  O    . HOH I .   ? 0.5228 0.2334 0.1404 -0.0559 -0.1422 0.0361  696  HOH A O    
5951 O  O    . HOH I .   ? 0.4783 0.6101 0.3094 0.2288  -0.1091 -0.0241 697  HOH A O    
5952 O  O    . HOH I .   ? 0.2360 0.2172 0.0581 -0.0090 -0.0285 0.0136  698  HOH A O    
5953 O  O    . HOH I .   ? 0.7077 0.6734 0.0590 0.0218  0.0975  0.1645  699  HOH A O    
5954 O  O    . HOH I .   ? 0.7155 0.5860 0.6598 0.0851  -0.1734 -0.1928 700  HOH A O    
5955 O  O    . HOH I .   ? 0.7157 0.2705 0.4768 0.0479  0.0564  0.1478  701  HOH A O    
5956 O  O    . HOH I .   ? 0.2037 0.3375 0.3525 -0.0624 -0.0976 0.0887  702  HOH A O    
5957 O  O    . HOH I .   ? 0.3221 0.4972 0.1440 -0.1396 0.0055  -0.0041 703  HOH A O    
5958 O  O    . HOH I .   ? 0.1406 0.2201 0.0290 0.0133  0.0144  0.0278  704  HOH A O    
5959 O  O    . HOH I .   ? 0.2858 0.2714 0.0684 -0.0771 -0.0843 0.0781  705  HOH A O    
5960 O  O    . HOH I .   ? 0.1546 0.1711 0.0064 -0.0048 -0.0039 -0.0017 706  HOH A O    
5961 O  O    . HOH I .   ? 0.1471 0.1843 0.0079 0.0232  0.0146  -0.0010 707  HOH A O    
5962 O  O    . HOH I .   ? 0.2942 0.4488 0.2704 -0.0034 -0.0432 -0.1475 708  HOH A O    
5963 O  O    . HOH I .   ? 0.1642 0.1679 0.0114 -0.0251 0.0168  -0.0094 709  HOH A O    
5964 O  O    . HOH I .   ? 0.2690 0.2600 0.0962 0.0429  -0.0006 -0.0726 710  HOH A O    
5965 O  O    . HOH I .   ? 0.5759 0.4388 0.7046 -0.1737 0.0044  0.1458  711  HOH A O    
5966 O  O    . HOH I .   ? 0.2262 0.2102 0.1357 0.0192  0.0674  0.0425  712  HOH A O    
5967 O  O    . HOH I .   ? 0.1150 0.1704 0.0111 0.0058  0.0023  0.0279  713  HOH A O    
5968 O  O    . HOH I .   ? 0.3962 0.1843 0.0961 0.0383  -0.1165 0.0007  714  HOH A O    
5969 O  O    . HOH I .   ? 0.3839 0.6214 0.4042 0.0259  0.2085  -0.0750 715  HOH A O    
5970 O  O    . HOH I .   ? 0.5496 0.5306 0.1660 0.1141  -0.1862 -0.0640 716  HOH A O    
5971 O  O    . HOH I .   ? 0.2597 0.3359 0.1406 -0.1118 0.0422  -0.0875 717  HOH A O    
5972 O  O    . HOH I .   ? 0.1314 0.1871 0.0132 -0.0151 -0.0070 -0.0075 718  HOH A O    
5973 O  O    . HOH I .   ? 0.1205 0.1412 0.0066 -0.0068 0.0000  -0.0066 719  HOH A O    
5974 O  O    . HOH I .   ? 0.1562 0.1611 0.0585 0.0073  -0.0116 -0.0358 720  HOH A O    
5975 O  O    . HOH I .   ? 0.1887 0.2050 0.0923 0.0138  0.0344  0.0550  721  HOH A O    
5976 O  O    . HOH I .   ? 0.1434 0.1649 0.0392 -0.0018 -0.0017 -0.0112 722  HOH A O    
5977 O  O    . HOH I .   ? 0.1247 0.1699 0.0115 0.0005  -0.0198 0.0173  723  HOH A O    
5978 O  O    . HOH I .   ? 0.2251 0.2018 0.0475 0.0281  0.0062  -0.0027 724  HOH A O    
5979 O  O    . HOH I .   ? 0.1284 0.1388 0.0195 -0.0104 -0.0128 -0.0014 725  HOH A O    
5980 O  O    . HOH I .   ? 0.1462 0.1248 0.0078 0.0026  0.0143  -0.0029 726  HOH A O    
5981 O  O    . HOH I .   ? 0.3465 1.0206 0.7219 -0.0075 -0.4576 -0.0221 727  HOH A O    
5982 O  O    . HOH I .   ? 0.1563 0.2082 0.0352 -0.0216 0.0102  0.0453  728  HOH A O    
5983 O  O    . HOH I .   ? 0.6829 0.4284 0.3013 -0.0037 0.0744  -0.1634 729  HOH A O    
5984 O  O    . HOH I .   ? 0.1505 0.2086 0.0728 -0.0256 0.0389  -0.0574 730  HOH A O    
5985 O  O    . HOH I .   ? 0.2277 0.2747 0.0719 -0.0321 0.0168  -0.0230 731  HOH A O    
5986 O  O    . HOH I .   ? 0.1275 0.1848 0.0147 -0.0203 0.0027  0.0157  732  HOH A O    
5987 O  O    . HOH I .   ? 0.4942 0.6725 0.1971 0.0435  -0.0497 -0.0248 733  HOH A O    
5988 O  O    . HOH I .   ? 0.2665 0.5712 0.2044 0.1001  -0.0624 0.0663  734  HOH A O    
5989 O  O    . HOH I .   ? 0.2472 0.1956 0.0428 -0.0040 -0.0597 0.0082  735  HOH A O    
5990 O  O    . HOH I .   ? 0.6878 0.3895 0.1602 0.1363  0.0931  0.0510  736  HOH A O    
5991 O  O    . HOH I .   ? 0.1126 0.1347 0.1007 -0.0027 0.0243  0.0067  737  HOH A O    
5992 O  O    . HOH I .   ? 0.3757 0.7263 0.6558 -0.0153 -0.0074 -0.2124 738  HOH A O    
5993 O  O    . HOH I .   ? 0.2217 0.2138 0.2388 -0.0332 0.0747  -0.0467 739  HOH A O    
5994 O  O    . HOH I .   ? 0.3896 0.3133 0.1981 -0.0165 -0.0089 0.0200  740  HOH A O    
5995 O  O    . HOH I .   ? 0.2166 0.1936 0.0677 0.0441  0.0234  0.0078  741  HOH A O    
5996 O  O    . HOH I .   ? 0.2689 0.3272 0.1178 -0.0881 -0.0008 0.0551  742  HOH A O    
5997 O  O    . HOH I .   ? 0.4172 0.2717 0.1047 -0.0995 0.0712  -0.0171 743  HOH A O    
5998 O  O    . HOH I .   ? 0.3169 0.5638 0.1988 -0.0468 0.0084  0.0050  744  HOH A O    
5999 O  O    . HOH I .   ? 0.3356 0.4216 0.2083 -0.0214 0.0595  0.0384  745  HOH A O    
6000 O  O    . HOH I .   ? 0.2617 0.4506 0.2697 -0.0388 -0.0450 -0.0101 746  HOH A O    
6001 O  O    . HOH I .   ? 0.1684 0.1922 0.0215 -0.0052 0.0090  0.0332  747  HOH A O    
6002 O  O    . HOH I .   ? 0.1778 0.2171 0.1042 0.0301  -0.0315 -0.0119 748  HOH A O    
6003 O  O    . HOH I .   ? 0.2931 0.3227 0.1222 0.0151  -0.0084 -0.0236 749  HOH A O    
6004 O  O    . HOH I .   ? 0.2940 0.2766 0.0542 -0.0019 0.0223  0.0366  750  HOH A O    
6005 O  O    . HOH I .   ? 0.5899 0.8721 0.6320 0.2784  -0.0254 -0.0415 751  HOH A O    
6006 O  O    . HOH I .   ? 0.2944 0.2850 0.0415 -0.0708 0.0393  -0.0124 752  HOH A O    
6007 O  O    . HOH I .   ? 0.3184 0.2479 0.1235 0.0452  -0.0400 0.0282  753  HOH A O    
6008 O  O    . HOH I .   ? 0.1450 0.1625 0.0065 -0.0072 0.0016  -0.0052 754  HOH A O    
6009 O  O    . HOH I .   ? 0.1511 0.2026 0.0070 -0.0340 -0.0026 0.0119  755  HOH A O    
6010 O  O    . HOH I .   ? 0.5476 0.2786 0.0276 -0.0451 -0.0589 -0.0584 756  HOH A O    
6011 O  O    . HOH I .   ? 0.2566 0.2545 0.2922 -0.0074 -0.1102 0.0315  757  HOH A O    
6012 O  O    . HOH I .   ? 0.4498 0.2926 0.3372 0.0377  -0.0606 0.1365  758  HOH A O    
6013 O  O    . HOH I .   ? 0.6560 0.2961 0.2048 -0.0252 -0.0480 0.0343  759  HOH A O    
6014 O  O    . HOH I .   ? 0.3983 0.8633 0.7180 0.0656  0.1247  -0.0348 760  HOH A O    
6015 O  O    . HOH I .   ? 0.2649 0.3674 0.0708 -0.0246 0.0307  0.0214  761  HOH A O    
6016 O  O    . HOH I .   ? 0.2603 0.2532 0.1787 0.0108  0.0854  -0.0045 762  HOH A O    
6017 O  O    . HOH I .   ? 0.1214 0.1574 0.0066 -0.0039 -0.0053 -0.0035 763  HOH A O    
6018 O  O    . HOH I .   ? 0.1734 0.1354 0.1620 0.0105  0.0143  0.0017  764  HOH A O    
6019 O  O    . HOH I .   ? 0.1863 0.1816 0.0758 0.0155  0.0109  -0.0106 765  HOH A O    
6020 O  O    . HOH I .   ? 0.2759 0.4644 0.1637 -0.0540 0.0357  -0.0057 766  HOH A O    
6021 O  O    . HOH I .   ? 0.4395 0.2796 0.1022 -0.0060 -0.0638 -0.0374 767  HOH A O    
6022 O  O    . HOH I .   ? 0.6176 0.6313 0.2273 0.0309  0.0595  -0.0867 768  HOH A O    
6023 O  O    . HOH I .   ? 0.3921 0.3160 0.2546 0.0015  0.0055  0.0505  769  HOH A O    
6024 O  O    . HOH I .   ? 0.1427 0.1623 0.0213 -0.0129 0.0107  -0.0067 770  HOH A O    
6025 O  O    . HOH I .   ? 0.3854 0.4168 0.1194 -0.0204 -0.0451 -0.0216 771  HOH A O    
6026 O  O    . HOH I .   ? 0.2067 0.2238 0.1351 0.0491  -0.0617 -0.0336 772  HOH A O    
6027 O  O    . HOH I .   ? 0.1330 0.1876 0.0066 -0.0184 -0.0021 0.0078  773  HOH A O    
6028 O  O    . HOH I .   ? 0.3356 0.6094 0.2719 -0.0779 0.0990  -0.0519 774  HOH A O    
6029 O  O    . HOH I .   ? 0.3027 0.3361 0.2664 -0.0471 -0.1048 0.0788  775  HOH A O    
6030 O  O    . HOH I .   ? 1.2222 0.6608 0.9626 -0.5480 0.1625  -0.2028 776  HOH A O    
6031 O  O    . HOH I .   ? 0.8474 0.5324 0.5297 -0.2331 0.0283  -0.0857 777  HOH A O    
6032 O  O    . HOH I .   ? 0.4665 0.2836 0.2089 -0.0513 0.0209  0.0157  778  HOH A O    
6033 O  O    . HOH I .   ? 0.3116 0.5845 0.6511 0.1255  0.0006  -0.1847 779  HOH A O    
6034 O  O    . HOH I .   ? 0.1565 0.2799 0.2631 -0.0428 0.0122  -0.1091 780  HOH A O    
6035 O  O    . HOH I .   ? 0.3201 0.2676 0.1692 -0.0209 -0.0134 0.0596  781  HOH A O    
6036 O  O    . HOH I .   ? 0.1433 0.2455 0.0506 -0.0109 0.0193  -0.0293 782  HOH A O    
6037 O  O    . HOH I .   ? 0.2467 0.3389 0.1707 0.0038  -0.0003 -0.1038 783  HOH A O    
6038 O  O    . HOH I .   ? 0.1628 0.1266 0.0065 0.0155  0.0053  0.0006  784  HOH A O    
6039 O  O    . HOH I .   ? 0.5410 0.3629 0.1792 -0.1813 0.1410  -0.1340 785  HOH A O    
6040 O  O    . HOH I .   ? 0.2316 0.1598 0.0907 0.0561  -0.0185 -0.0426 786  HOH A O    
6041 O  O    . HOH I .   ? 0.4913 0.3638 0.1936 0.1617  0.1096  0.0257  787  HOH A O    
6042 O  O    . HOH I .   ? 0.1724 0.1262 0.0387 -0.0050 0.0304  0.0111  788  HOH A O    
6043 O  O    . HOH I .   ? 0.2742 0.7943 0.2055 -0.1213 -0.0210 0.1288  789  HOH A O    
6044 O  O    . HOH I .   ? 0.1993 0.3123 0.2034 0.0072  0.0653  -0.0201 790  HOH A O    
6045 O  O    . HOH I .   ? 0.3303 0.3585 0.3533 0.0220  0.0128  0.0024  791  HOH A O    
6046 O  O    . HOH I .   ? 0.3717 0.5544 1.0053 -0.1208 -0.1822 0.0188  792  HOH A O    
6047 O  O    . HOH I .   ? 0.2143 0.2833 0.1128 0.0442  -0.0325 -0.0211 793  HOH A O    
6048 O  O    . HOH I .   ? 0.1843 0.1914 0.0479 -0.0135 -0.0273 -0.0004 794  HOH A O    
6049 O  O    . HOH I .   ? 0.2452 0.2430 0.0704 0.0867  0.0733  0.0286  795  HOH A O    
6050 O  O    . HOH I .   ? 0.1238 0.1776 0.0064 -0.0045 0.0030  0.0013  796  HOH A O    
6051 O  O    . HOH I .   ? 0.2011 0.1707 0.1272 0.0021  -0.0130 -0.0297 797  HOH A O    
6052 O  O    . HOH I .   ? 0.4374 0.2389 0.1373 -0.1155 0.0511  -0.0180 798  HOH A O    
6053 O  O    . HOH I .   ? 0.4926 0.3755 0.5490 -0.1644 -0.1052 0.0381  799  HOH A O    
6054 O  O    . HOH I .   ? 0.2583 0.2629 0.2034 -0.0228 0.0514  -0.0461 800  HOH A O    
6055 O  O    . HOH I .   ? 0.2257 0.1813 0.1186 0.0290  -0.0105 -0.0120 801  HOH A O    
6056 O  O    . HOH I .   ? 0.1364 0.1942 0.1321 0.0268  -0.0196 -0.0191 802  HOH A O    
6057 O  O    . HOH I .   ? 0.2162 0.2942 0.0922 0.0265  0.0128  0.0709  803  HOH A O    
6058 O  O    . HOH I .   ? 0.1480 0.1585 0.0262 0.0082  0.0069  0.0012  804  HOH A O    
6059 O  O    . HOH I .   ? 0.3017 0.3769 0.2847 0.0005  -0.0671 -0.0923 805  HOH A O    
6060 O  O    . HOH I .   ? 0.1216 0.2087 0.0106 -0.0102 -0.0032 -0.0210 806  HOH A O    
6061 O  O    . HOH I .   ? 0.2420 0.3467 0.1406 -0.0680 0.0240  0.0093  807  HOH A O    
6062 O  O    . HOH I .   ? 0.3321 0.3693 0.2136 -0.0718 0.0760  -0.0174 808  HOH A O    
6063 O  O    . HOH I .   ? 0.1959 0.2178 0.0111 -0.0087 -0.0108 0.0164  809  HOH A O    
6064 O  O    . HOH I .   ? 0.8055 0.4415 0.7515 0.1771  0.3852  0.1653  810  HOH A O    
6065 O  O    . HOH I .   ? 0.2160 0.5398 0.1564 0.0405  -0.0058 -0.1071 811  HOH A O    
6066 O  O    . HOH I .   ? 0.5270 0.6090 0.4466 0.0009  -0.0491 -0.0887 812  HOH A O    
6067 O  O    . HOH I .   ? 0.3090 0.6981 0.0854 0.0751  0.0221  -0.0176 813  HOH A O    
6068 O  O    . HOH I .   ? 0.7895 0.5385 0.5277 -0.2532 0.1586  -0.2430 814  HOH A O    
6069 O  O    . HOH I .   ? 0.3396 0.4055 0.1023 0.0803  0.0153  0.0000  815  HOH A O    
6070 O  O    . HOH I .   ? 0.6788 0.7122 0.7564 -0.0377 0.1560  0.0219  816  HOH A O    
6071 O  O    . HOH I .   ? 0.5453 0.6356 0.5505 0.0581  -0.0056 -0.2072 817  HOH A O    
6072 O  O    . HOH I .   ? 0.1360 0.1501 0.0075 -0.0115 -0.0123 0.0024  818  HOH A O    
6073 O  O    . HOH I .   ? 0.4671 0.4820 0.3881 -0.1371 -0.0444 0.0665  819  HOH A O    
6074 O  O    . HOH I .   ? 0.5970 0.3467 0.1709 0.0772  0.0037  -0.0281 820  HOH A O    
6075 O  O    . HOH I .   ? 0.2051 0.4148 0.2169 -0.0695 -0.0071 0.1159  821  HOH A O    
6076 O  O    . HOH I .   ? 0.2686 0.2413 0.1657 -0.0428 0.0024  0.0000  822  HOH A O    
6077 O  O    . HOH I .   ? 0.3651 0.4367 0.2532 0.0646  -0.0354 -0.0006 823  HOH A O    
6078 O  O    . HOH I .   ? 0.4417 0.4280 0.2532 -0.0117 -0.0882 -0.1104 824  HOH A O    
6079 O  O    . HOH I .   ? 0.3312 0.2832 0.1883 -0.1013 -0.0503 0.0867  825  HOH A O    
6080 O  O    . HOH I .   ? 0.4199 0.7208 0.4189 0.1068  0.0102  -0.0134 826  HOH A O    
6081 O  O    . HOH I .   ? 0.2447 0.2881 0.0801 -0.0622 -0.0684 0.0718  827  HOH A O    
6082 O  O    . HOH I .   ? 0.1534 0.1624 0.0506 -0.0139 -0.0001 -0.0028 828  HOH A O    
6083 O  O    . HOH I .   ? 0.5611 0.4526 0.2889 0.0351  0.0179  0.0433  829  HOH A O    
6084 O  O    . HOH I .   ? 0.1865 0.2892 0.0937 0.0268  -0.0408 -0.0440 830  HOH A O    
6085 O  O    . HOH I .   ? 0.1812 0.1666 0.0510 -0.0128 -0.0009 -0.0126 831  HOH A O    
6086 O  O    . HOH I .   ? 0.4190 0.4690 0.4149 -0.1114 -0.0317 -0.0065 832  HOH A O    
6087 O  O    . HOH I .   ? 0.2686 0.2666 0.2280 0.0455  -0.0184 -0.0662 833  HOH A O    
6088 O  O    . HOH I .   ? 0.1267 0.1798 0.0073 -0.0154 -0.0112 0.0007  834  HOH A O    
6089 O  O    . HOH I .   ? 0.3731 0.3348 0.8482 -0.1366 -0.2117 -0.0289 835  HOH A O    
6090 O  O    . HOH I .   ? 0.3807 0.2941 0.2271 -0.0224 -0.0797 -0.0568 836  HOH A O    
6091 O  O    . HOH I .   ? 0.2095 0.1683 0.0817 -0.0184 -0.0148 -0.0026 837  HOH A O    
6092 O  O    . HOH I .   ? 0.1693 0.1878 0.0730 -0.0150 -0.0106 -0.0275 838  HOH A O    
6093 O  O    . HOH I .   ? 0.5664 0.3978 0.6305 -0.0359 0.2914  -0.0658 839  HOH A O    
6094 O  O    . HOH I .   ? 0.2774 0.2234 0.1399 -0.0247 -0.0439 0.0553  840  HOH A O    
6095 O  O    . HOH I .   ? 0.2294 0.3161 0.1929 0.0443  -0.0683 -0.0067 841  HOH A O    
6096 O  O    . HOH I .   ? 0.3576 0.5064 0.3458 -0.0170 0.0024  -0.0022 842  HOH A O    
6097 O  O    . HOH I .   ? 0.2302 0.2664 0.1663 0.0126  0.0457  0.0176  843  HOH A O    
6098 O  O    . HOH I .   ? 0.2005 0.2301 0.2223 -0.0058 -0.0153 0.0003  844  HOH A O    
6099 O  O    . HOH I .   ? 0.5938 1.0139 0.6697 0.1236  -0.1329 -0.0542 845  HOH A O    
6100 O  O    . HOH I .   ? 0.5066 0.3335 0.9237 0.1317  0.0708  0.0218  846  HOH A O    
6101 O  O    . HOH I .   ? 0.3859 0.5447 0.0990 0.0565  0.1224  -0.0426 847  HOH A O    
6102 O  O    . HOH I .   ? 0.3039 0.2968 0.3417 0.0025  -0.0813 -0.0278 848  HOH A O    
6103 O  O    . HOH I .   ? 0.1175 0.1530 0.0075 -0.0090 0.0039  0.0120  849  HOH A O    
6104 O  O    . HOH I .   ? 0.6991 0.5202 0.1918 0.0105  -0.0076 0.0889  850  HOH A O    
6105 O  O    . HOH I .   ? 0.4377 0.2511 0.3176 -0.0703 0.1946  -0.0406 851  HOH A O    
6106 O  O    . HOH I .   ? 0.2815 0.3956 0.1687 -0.0948 0.0197  0.0556  852  HOH A O    
6107 O  O    . HOH I .   ? 0.4303 0.7895 0.7124 -0.4127 -0.2163 0.1687  853  HOH A O    
6108 O  O    . HOH I .   ? 0.3438 0.6745 0.4645 -0.1893 0.0664  0.0892  854  HOH A O    
6109 O  O    . HOH I .   ? 0.3421 0.3538 0.5041 -0.1229 0.1227  -0.0174 855  HOH A O    
6110 O  O    . HOH I .   ? 0.4949 0.5760 0.2453 0.2035  0.0244  0.0683  856  HOH A O    
6111 O  O    . HOH I .   ? 0.1452 0.1464 0.0076 0.0030  0.0003  0.0136  857  HOH A O    
6112 O  O    . HOH I .   ? 0.3968 0.6453 0.2569 -0.0461 -0.0065 0.0276  858  HOH A O    
6113 O  O    . HOH I .   ? 0.1217 0.1340 0.0122 -0.0042 -0.0132 0.0072  859  HOH A O    
6114 O  O    . HOH I .   ? 0.5496 0.4967 0.3028 0.1577  -0.1482 -0.1878 860  HOH A O    
6115 O  O    . HOH I .   ? 0.2187 0.2091 0.0661 -0.0444 -0.0155 -0.0375 861  HOH A O    
6116 O  O    . HOH I .   ? 0.1704 0.1833 0.0077 0.0035  -0.0096 -0.0121 862  HOH A O    
6117 O  O    . HOH I .   ? 0.5676 0.6362 0.0538 -0.0307 -0.0764 -0.0678 863  HOH A O    
6118 O  O    . HOH I .   ? 0.1843 0.2152 0.1659 0.0467  -0.0334 -0.0613 864  HOH A O    
6119 O  O    . HOH I .   ? 0.6143 0.5314 0.5315 -0.2299 -0.0701 -0.1717 865  HOH A O    
6120 O  O    . HOH I .   ? 0.5267 0.3848 0.4520 0.1701  0.0091  -0.0662 866  HOH A O    
6121 O  O    . HOH I .   ? 0.4090 0.5036 0.1971 -0.1902 -0.0555 0.0526  867  HOH A O    
6122 O  O    . HOH I .   ? 0.5295 0.6560 0.4055 0.2365  -0.3291 -0.0773 868  HOH A O    
6123 O  O    . HOH I .   ? 0.2290 0.2004 0.1212 -0.0568 0.0929  -0.0387 869  HOH A O    
6124 O  O    . HOH I .   ? 0.3031 0.4996 0.1959 0.0066  -0.0436 -0.1206 870  HOH A O    
6125 O  O    . HOH I .   ? 0.3559 0.2619 0.1362 0.0204  -0.0131 -0.0040 871  HOH A O    
6126 O  O    . HOH I .   ? 0.3336 0.4816 0.2073 0.0641  0.0730  0.0998  872  HOH A O    
6127 O  O    . HOH I .   ? 0.2358 0.3183 0.1667 -0.0429 0.0124  0.0319  873  HOH A O    
6128 O  O    . HOH I .   ? 0.2286 0.4529 0.0489 0.0226  -0.0502 -0.0175 874  HOH A O    
6129 O  O    . HOH I .   ? 0.4490 0.4169 0.2748 0.0217  0.0438  -0.0225 875  HOH A O    
6130 O  O    . HOH I .   ? 0.4073 0.1982 0.2048 0.0053  0.0527  -0.0933 876  HOH A O    
6131 O  O    . HOH I .   ? 0.1542 0.2381 0.0574 0.0088  -0.0128 0.0289  877  HOH A O    
6132 O  O    . HOH I .   ? 0.2403 0.2637 0.0355 -0.0070 -0.0372 0.0370  878  HOH A O    
6133 O  O    . HOH I .   ? 0.3656 0.2789 0.2821 0.0910  -0.0747 -0.0996 879  HOH A O    
6134 O  O    . HOH I .   ? 0.7856 0.5480 0.4917 0.0381  0.0383  0.3376  880  HOH A O    
6135 O  O    . HOH I .   ? 0.5099 0.3407 0.1047 0.0280  -0.0351 0.0177  881  HOH A O    
6136 O  O    . HOH I .   ? 0.4368 0.4330 0.2437 -0.0935 0.0179  -0.0219 882  HOH A O    
6137 O  O    . HOH I .   ? 0.3870 0.3229 0.2213 -0.0172 -0.0613 -0.0704 883  HOH A O    
6138 O  O    . HOH I .   ? 0.1510 0.2110 0.0142 0.0285  -0.0036 -0.0107 884  HOH A O    
6139 O  O    . HOH I .   ? 0.3864 0.2422 0.3761 -0.0585 0.1467  0.2393  885  HOH A O    
6140 O  O    . HOH I .   ? 0.1675 0.1725 0.0575 -0.0090 -0.0179 -0.0027 886  HOH A O    
6141 O  O    . HOH I .   ? 0.4827 0.3550 0.4528 -0.0686 0.1601  -0.1996 887  HOH A O    
6142 O  O    . HOH I .   ? 0.6917 0.5054 0.2527 -0.0132 -0.2345 0.0351  888  HOH A O    
6143 O  O    . HOH I .   ? 0.8665 0.3590 0.7707 0.0897  0.5104  0.0978  889  HOH A O    
6144 O  O    . HOH I .   ? 0.4861 0.3546 0.2476 -0.0512 -0.1172 0.0012  890  HOH A O    
6145 O  O    . HOH I .   ? 0.2914 0.3353 0.2009 -0.0301 -0.0314 0.0115  891  HOH A O    
6146 O  O    . HOH I .   ? 0.9397 0.4149 0.3884 0.0565  -0.2568 0.0418  892  HOH A O    
6147 O  O    . HOH I .   ? 0.2968 0.3544 0.4358 -0.0273 -0.0950 0.1284  893  HOH A O    
6148 O  O    . HOH I .   ? 0.4071 0.5388 0.4356 0.0154  -0.0359 0.1229  894  HOH A O    
6149 O  O    . HOH I .   ? 0.2858 0.3075 0.2000 0.1129  0.0085  0.0890  895  HOH A O    
6150 O  O    . HOH I .   ? 0.1894 0.4475 0.1782 -0.0468 0.0417  0.0715  896  HOH A O    
6151 O  O    . HOH I .   ? 0.1556 0.1872 0.0187 -0.0111 -0.0060 0.0110  897  HOH A O    
6152 O  O    . HOH I .   ? 0.5662 0.6721 0.5613 -0.0620 0.2329  0.3077  898  HOH A O    
6153 O  O    . HOH I .   ? 0.4368 0.3668 0.1302 -0.1297 0.0545  0.0163  899  HOH A O    
6154 O  O    . HOH I .   ? 0.2353 0.3979 0.1645 0.0139  0.0208  0.0442  900  HOH A O    
6155 O  O    . HOH I .   ? 0.3714 0.5124 0.6989 0.0698  0.0098  0.2745  901  HOH A O    
6156 O  O    . HOH I .   ? 0.2183 0.2948 0.1665 0.0472  0.0240  0.0682  902  HOH A O    
6157 O  O    . HOH I .   ? 0.2433 0.3247 0.0688 0.0331  0.0202  0.0044  903  HOH A O    
6158 O  O    . HOH I .   ? 0.2175 0.2547 0.0598 -0.0694 0.0175  0.0000  904  HOH A O    
6159 O  O    . HOH I .   ? 0.2418 0.2930 0.1812 -0.0244 0.0854  -0.0594 905  HOH A O    
6160 O  O    . HOH I .   ? 0.2732 0.2238 0.1614 0.0446  0.0141  0.0691  906  HOH A O    
6161 O  O    . HOH I .   ? 0.2417 0.2011 0.2533 -0.0057 -0.0497 -0.0040 907  HOH A O    
6162 O  O    . HOH I .   ? 0.2044 0.3184 0.1654 0.0365  -0.0064 -0.0111 908  HOH A O    
6163 O  O    . HOH I .   ? 0.1858 0.3905 0.0959 0.0221  0.0558  0.1247  909  HOH A O    
6164 O  O    . HOH I .   ? 0.4202 0.7856 0.0987 -0.0901 0.1296  0.0354  910  HOH A O    
6165 O  O    . HOH I .   ? 0.1590 0.3031 0.1138 -0.0219 0.0271  0.0124  911  HOH A O    
6166 O  O    . HOH I .   ? 0.7275 0.6654 0.3845 0.2561  -0.1751 -0.4989 912  HOH A O    
6167 O  O    . HOH I .   ? 0.4494 0.2042 0.0939 0.0874  0.0387  0.0133  913  HOH A O    
6168 O  O    . HOH I .   ? 0.3313 0.3412 0.7130 0.0031  0.0657  0.1104  914  HOH A O    
6169 O  O    . HOH I .   ? 0.3882 0.4009 0.1965 -0.1321 -0.0049 -0.0095 915  HOH A O    
6170 O  O    . HOH I .   ? 0.4568 0.6351 0.3321 0.0320  -0.2301 0.0581  916  HOH A O    
6171 O  O    . HOH I .   ? 0.5098 0.6350 0.2273 -0.2514 0.0011  -0.0799 917  HOH A O    
6172 O  O    . HOH I .   ? 0.3191 0.6247 0.3690 -0.0502 0.0212  0.0600  918  HOH A O    
6173 O  O    . HOH I .   ? 0.5436 0.4555 0.1459 0.1486  -0.0535 -0.0551 919  HOH A O    
6174 O  O    . HOH I .   ? 0.6635 0.3603 0.3301 -0.0785 -0.0411 -0.1251 920  HOH A O    
6175 O  O    . HOH I .   ? 0.2463 0.6756 0.3160 -0.0500 -0.0188 -0.0315 921  HOH A O    
6176 O  O    . HOH I .   ? 1.3227 0.7629 1.0640 0.1186  -0.1997 -0.2524 922  HOH A O    
6177 O  O    . HOH I .   ? 0.6080 0.3855 0.2706 0.1602  -0.0926 -0.0043 923  HOH A O    
6178 O  O    . HOH I .   ? 0.6493 0.1735 0.4894 0.0887  0.0890  0.1720  924  HOH A O    
6179 O  O    . HOH I .   ? 0.5429 0.8680 0.3411 -0.2134 0.1148  -0.0430 925  HOH A O    
6180 O  O    . HOH I .   ? 0.4431 0.2958 0.3567 -0.0641 0.0823  0.0932  926  HOH A O    
6181 O  O    . HOH I .   ? 0.2094 0.3681 0.0663 0.0764  -0.0429 -0.0530 927  HOH A O    
6182 O  O    . HOH I .   ? 0.4381 0.6760 0.2483 0.1502  -0.0725 -0.1288 928  HOH A O    
6183 O  O    . HOH I .   ? 0.5570 0.4274 0.3425 -0.2139 -0.1534 0.1584  929  HOH A O    
6184 O  O    . HOH I .   ? 1.3447 0.6360 1.0030 -0.2424 0.1616  0.0076  930  HOH A O    
6185 O  O    . HOH I .   ? 0.3995 0.7999 0.2399 0.0120  -0.1246 -0.0209 931  HOH A O    
6186 O  O    . HOH I .   ? 0.4699 0.4389 0.3365 -0.0241 0.0832  0.1477  932  HOH A O    
6187 O  O    . HOH I .   ? 0.5492 0.6083 0.4813 0.0504  0.0748  0.2131  933  HOH A O    
6188 O  O    . HOH I .   ? 0.3773 0.8198 0.7346 0.1298  0.5170  0.2581  934  HOH A O    
6189 O  O    . HOH I .   ? 0.9240 0.4249 0.6474 -0.2221 0.1453  0.1976  935  HOH A O    
6190 O  O    . HOH I .   ? 0.3851 0.9721 0.6596 -0.3091 -0.2348 0.0013  936  HOH A O    
6191 O  O    . HOH I .   ? 0.3363 0.4280 0.3793 -0.0382 -0.0256 0.0404  937  HOH A O    
6192 O  O    . HOH I .   ? 0.8779 0.5024 1.0349 -0.3977 0.1507  -0.1765 938  HOH A O    
6193 O  O    . HOH I .   ? 0.5749 0.2444 0.3918 -0.0255 0.2429  -0.0498 939  HOH A O    
6194 O  O    . HOH I .   ? 0.3989 0.3867 0.2246 -0.0142 -0.0123 -0.0501 940  HOH A O    
6195 O  O    . HOH I .   ? 0.5196 0.9308 0.6870 -0.0199 0.1946  0.3878  941  HOH A O    
6196 O  O    . HOH I .   ? 0.3499 0.6351 0.3425 -0.0886 0.0230  0.0069  942  HOH A O    
6197 O  O    . HOH I .   ? 0.8454 0.4127 0.5492 0.0128  -0.0401 0.0221  943  HOH A O    
6198 O  O    . HOH I .   ? 0.5922 0.8511 0.4857 0.2136  0.3336  0.1720  944  HOH A O    
6199 O  O    . HOH I .   ? 1.2807 0.3463 0.6517 0.1300  -0.0177 0.3801  945  HOH A O    
6200 O  O    . HOH I .   ? 0.2573 0.3416 0.1902 -0.0417 -0.0136 -0.0632 946  HOH A O    
6201 O  O    . HOH I .   ? 0.2119 0.6929 0.5067 -0.0785 0.2270  -0.1385 947  HOH A O    
6202 O  O    . HOH I .   ? 0.6919 0.5342 0.4210 -0.3710 -0.2059 0.1869  948  HOH A O    
6203 O  O    . HOH I .   ? 0.2170 0.1939 0.0705 0.0059  0.0195  0.0166  949  HOH A O    
6204 O  O    . HOH I .   ? 0.3161 0.3286 0.5878 -0.0914 -0.0104 -0.0462 950  HOH A O    
6205 O  O    . HOH I .   ? 0.6558 0.4974 0.6021 -0.0123 -0.0141 0.0567  951  HOH A O    
6206 O  O    . HOH I .   ? 1.1795 0.7410 0.5686 0.1433  -0.5203 0.4239  952  HOH A O    
6207 O  O    . HOH I .   ? 0.5324 0.8258 0.4152 -0.1957 -0.1503 0.0764  953  HOH A O    
6208 O  O    . HOH I .   ? 0.7088 0.4488 0.3506 -0.0445 -0.1746 0.0693  954  HOH A O    
6209 O  O    . HOH I .   ? 0.6936 0.6032 1.0155 -0.3028 0.1536  0.0188  955  HOH A O    
6210 O  O    . HOH I .   ? 1.2672 0.7633 0.7335 0.2733  -0.2213 0.0598  956  HOH A O    
6211 O  O    . HOH I .   ? 0.3827 0.3760 0.1893 0.0927  0.0794  0.0362  957  HOH A O    
6212 O  O    . HOH I .   ? 0.6814 0.4410 0.3807 0.2824  -0.0615 -0.1762 958  HOH A O    
6213 O  O    . HOH I .   ? 0.5470 0.3114 0.0742 0.0721  0.1626  0.0715  959  HOH A O    
6214 O  O    . HOH I .   ? 0.3800 0.2208 0.0899 -0.0217 -0.0547 0.0188  960  HOH A O    
6215 O  O    . HOH I .   ? 0.2627 0.4687 0.2468 -0.0869 0.0046  -0.0035 961  HOH A O    
6216 O  O    . HOH I .   ? 0.2231 0.6219 0.3180 -0.0461 -0.0335 -0.1046 962  HOH A O    
6217 O  O    . HOH I .   ? 0.2779 0.6138 0.1455 -0.0315 0.0932  0.0150  963  HOH A O    
6218 O  O    . HOH I .   ? 0.2261 0.2903 0.2000 0.0163  0.0007  -0.0734 964  HOH A O    
6219 O  O    . HOH I .   ? 0.3568 0.3584 0.6340 0.0103  0.1796  -0.0798 965  HOH A O    
6220 O  O    . HOH I .   ? 0.1813 0.3120 0.3510 -0.0265 0.1129  0.0056  966  HOH A O    
6221 O  O    . HOH I .   ? 0.3993 0.5516 0.2177 0.1013  0.0411  0.0566  967  HOH A O    
6222 O  O    . HOH I .   ? 0.6522 0.5166 0.4142 -0.2343 -0.1169 0.1334  968  HOH A O    
6223 O  O    . HOH I .   ? 0.3120 0.5322 0.2919 -0.0052 0.0383  0.0902  969  HOH A O    
6224 O  O    . HOH I .   ? 0.6525 0.9475 0.1076 0.0011  0.2119  -0.1725 970  HOH A O    
6225 O  O    . HOH I .   ? 0.3361 0.3037 0.5055 0.0037  -0.1121 -0.0136 971  HOH A O    
6226 O  O    . HOH I .   ? 0.7155 0.2823 0.6324 0.0446  0.1899  -0.1414 972  HOH A O    
6227 O  O    . HOH I .   ? 0.2056 0.3853 0.0181 -0.0663 0.0000  -0.0193 973  HOH A O    
6228 O  O    . HOH I .   ? 0.2993 0.2413 0.3263 -0.0969 0.1712  -0.0408 974  HOH A O    
6229 O  O    . HOH I .   ? 0.5868 1.7183 0.1911 0.0788  0.2514  0.0368  975  HOH A O    
6230 O  O    . HOH I .   ? 0.4365 0.5061 0.7646 -0.0293 -0.1099 0.1795  976  HOH A O    
6231 O  O    . HOH I .   ? 0.6958 0.3807 0.2716 -0.1837 0.1227  -0.0659 977  HOH A O    
6232 O  O    . HOH I .   ? 0.7507 0.5330 0.6701 0.0777  -0.0289 -0.0159 978  HOH A O    
6233 O  O    . HOH I .   ? 0.9052 0.5086 0.6144 0.0155  -0.1393 0.1142  979  HOH A O    
6234 O  O    . HOH I .   ? 0.5531 0.6002 0.5118 0.0143  -0.0020 -0.0155 980  HOH A O    
6235 O  O    . HOH I .   ? 0.2560 0.6793 0.4380 -0.0056 -0.0089 0.0316  981  HOH A O    
6236 O  O    . HOH I .   ? 0.1931 0.1544 0.1257 -0.0036 0.0056  -0.0125 982  HOH A O    
6237 O  O    . HOH I .   ? 0.1872 0.8057 0.3643 0.0879  -0.0642 -0.0178 983  HOH A O    
6238 O  O    . HOH I .   ? 0.9076 0.4103 0.5358 -0.1737 -0.2404 0.0080  984  HOH A O    
6239 O  O    . HOH I .   ? 0.3296 0.3540 0.2160 0.0294  -0.0501 0.0201  985  HOH A O    
6240 O  O    . HOH I .   ? 0.5271 0.6411 0.6153 0.0427  0.2091  -0.1169 986  HOH A O    
6241 O  O    . HOH I .   ? 0.6876 0.6465 0.9301 0.1623  -0.2452 -0.0542 987  HOH A O    
6242 O  O    . HOH I .   ? 0.4542 1.1520 0.5570 0.0892  0.0296  0.1378  988  HOH A O    
6243 O  O    . HOH I .   ? 0.2056 0.2075 0.0666 0.0219  0.0456  -0.0127 989  HOH A O    
6244 O  O    . HOH I .   ? 0.2783 0.3576 0.0960 -0.0982 0.0113  0.0328  990  HOH A O    
6245 O  O    . HOH I .   ? 0.4481 0.3883 0.4240 0.1146  0.0769  0.0644  991  HOH A O    
6246 O  O    . HOH I .   ? 0.3901 0.3710 0.1072 -0.0481 -0.0073 -0.0450 992  HOH A O    
6247 O  O    . HOH I .   ? 0.2033 0.3827 0.1248 0.0418  0.0013  0.0351  993  HOH A O    
6248 O  O    . HOH I .   ? 0.2470 0.2590 0.1390 0.0218  0.0204  0.0602  994  HOH A O    
6249 O  O    . HOH I .   ? 0.3949 0.7676 0.6105 0.2337  0.1313  0.0270  995  HOH A O    
6250 O  O    . HOH I .   ? 0.4583 0.7256 0.6565 -0.0629 0.1895  -0.1651 996  HOH A O    
6251 O  O    . HOH I .   ? 0.5492 0.6627 0.4886 0.0280  0.0712  0.1687  997  HOH A O    
6252 O  O    . HOH I .   ? 0.1645 0.2338 0.0407 0.0177  -0.0354 -0.0012 998  HOH A O    
6253 O  O    . HOH I .   ? 0.4921 0.7753 0.2669 -0.0692 -0.0038 -0.0632 999  HOH A O    
6254 O  O    . HOH I .   ? 0.8625 0.3301 0.2751 -0.0450 0.1016  -0.0078 1000 HOH A O    
6255 O  O    . HOH I .   ? 0.3068 0.2445 0.3351 -0.0178 0.0376  0.0555  1001 HOH A O    
6256 O  O    . HOH I .   ? 0.3909 0.6520 0.2591 0.1840  0.1394  0.2130  1002 HOH A O    
6257 O  O    . HOH I .   ? 0.8311 0.2310 0.6887 -0.3837 0.0370  -0.1946 1003 HOH A O    
6258 O  O    . HOH I .   ? 0.6026 0.4389 0.4969 -0.0627 -0.0328 0.0053  1004 HOH A O    
6259 O  O    . HOH I .   ? 0.5104 0.6127 0.4511 -0.0443 -0.0015 0.0552  1005 HOH A O    
6260 O  O    . HOH I .   ? 0.3141 0.2877 0.1280 -0.0285 0.0166  0.0000  1006 HOH A O    
6261 O  O    . HOH I .   ? 0.6519 0.5552 0.2505 0.2161  -0.1556 -0.1441 1007 HOH A O    
6262 O  O    . HOH I .   ? 0.8854 0.3065 0.5745 -0.0991 -0.0723 -0.1264 1008 HOH A O    
6263 O  O    . HOH I .   ? 0.2419 0.5272 0.1003 0.0184  -0.0096 0.0689  1009 HOH A O    
6264 O  O    . HOH I .   ? 0.4060 0.4037 0.8806 -0.0751 -0.0234 0.0083  1010 HOH A O    
6265 O  O    . HOH I .   ? 0.3205 0.3753 0.7569 -0.0703 -0.0498 -0.0142 1011 HOH A O    
6266 O  O    . HOH I .   ? 0.6371 0.6769 0.1026 0.1086  -0.1134 0.1352  1012 HOH A O    
6267 O  O    . HOH I .   ? 0.6596 0.6419 0.3201 0.0226  -0.1272 0.0689  1013 HOH A O    
6268 O  O    . HOH I .   ? 0.1819 0.1982 0.0159 0.0128  -0.0022 -0.0029 1014 HOH A O    
6269 O  O    . HOH I .   ? 0.1885 0.4074 0.5131 -0.0365 0.0246  0.0992  1015 HOH A O    
6270 O  O    . HOH I .   ? 0.6997 0.6217 0.8159 -0.1140 0.2609  0.0339  1016 HOH A O    
6271 O  O    . HOH I .   ? 0.2625 0.3203 0.3259 -0.0939 0.1088  -0.1311 1017 HOH A O    
6272 O  O    . HOH I .   ? 0.5911 0.4519 0.3038 0.0517  -0.2260 -0.0273 1018 HOH A O    
6273 O  O    . HOH I .   ? 0.5382 0.4270 0.2875 0.1261  0.2436  0.0688  1019 HOH A O    
6274 O  O    . HOH I .   ? 0.2923 0.3370 0.4574 -0.0538 -0.1622 -0.2200 1020 HOH A O    
6275 O  O    . HOH I .   ? 0.4466 0.5023 0.4909 -0.1500 -0.2100 0.2497  1021 HOH A O    
6276 O  O    . HOH I .   ? 0.1760 0.2914 0.2241 -0.0118 0.0153  -0.0190 1022 HOH A O    
6277 O  O    . HOH I .   ? 0.2729 0.2630 0.0932 -0.0249 -0.0315 0.0397  1023 HOH A O    
6278 O  O    . HOH I .   ? 0.3239 0.3852 0.9663 -0.0533 -0.1338 0.1666  1024 HOH A O    
6279 O  O    . HOH I .   ? 0.9442 0.3138 0.5573 0.1128  -0.1353 0.1319  1025 HOH A O    
6280 O  O    . HOH I .   ? 0.7142 0.6311 0.2528 0.0408  -0.0257 -0.1268 1026 HOH A O    
6281 O  O    . HOH I .   ? 0.4856 0.2225 0.1328 0.0071  -0.0180 0.0312  1027 HOH A O    
6282 O  O    . HOH I .   ? 0.6196 0.4261 0.1905 -0.0346 -0.0166 0.0459  1028 HOH A O    
6283 O  O    . HOH I .   ? 0.5954 0.6645 0.3415 0.1039  0.1202  0.0516  1029 HOH A O    
6284 O  O    . HOH I .   ? 0.6091 0.5348 0.2420 0.0782  0.0534  0.0423  1030 HOH A O    
6285 O  O    . HOH I .   ? 0.5014 0.6757 0.4760 -0.0207 0.0085  0.0148  1031 HOH A O    
6286 O  O    . HOH I .   ? 0.1841 0.3048 0.1110 0.0150  0.0455  0.0791  1032 HOH A O    
6287 O  O    . HOH I .   ? 0.2128 0.2436 0.3605 -0.0112 -0.0297 0.1014  1033 HOH A O    
6288 O  O    . HOH I .   ? 0.3701 0.4498 0.0969 0.0678  -0.1119 -0.0104 1034 HOH A O    
6289 O  O    . HOH I .   ? 0.9168 0.4226 0.4447 0.1213  -0.2146 0.1074  1035 HOH A O    
6290 O  O    . HOH I .   ? 0.5426 0.3880 0.9526 -0.1956 -0.2104 0.1947  1036 HOH A O    
6291 O  O    . HOH I .   ? 0.3519 0.8954 0.5472 0.0210  -0.0101 -0.0376 1037 HOH A O    
6292 O  O    . HOH I .   ? 0.8428 1.3061 0.8757 -0.4864 -0.0589 0.0567  1038 HOH A O    
6293 O  O    . HOH I .   ? 0.7035 0.5679 0.2166 -0.2168 0.0680  0.0086  1039 HOH A O    
6294 O  O    . HOH I .   ? 0.3406 0.4349 0.2703 -0.0363 0.1226  -0.0156 1040 HOH A O    
6295 O  O    . HOH I .   ? 0.5193 0.8750 0.7857 -0.0283 0.4876  0.4666  1041 HOH A O    
6296 O  O    . HOH I .   ? 0.4349 0.3292 0.1381 0.0089  0.0004  -0.0075 1042 HOH A O    
6297 O  O    . HOH I .   ? 0.4828 1.1629 0.7483 0.0247  -0.3568 -0.0175 1043 HOH A O    
6298 O  O    . HOH I .   ? 0.7594 0.4225 0.4619 0.0052  -0.0744 -0.1273 1044 HOH A O    
6299 O  O    . HOH I .   ? 0.5409 0.7303 0.3937 0.4072  0.0910  -0.1123 1045 HOH A O    
6300 O  O    . HOH I .   ? 0.5937 0.2944 0.5012 -0.1597 -0.0053 0.0435  1046 HOH A O    
6301 O  O    . HOH I .   ? 0.4089 0.7948 0.5829 0.0211  0.2714  -0.2259 1047 HOH A O    
6302 O  O    . HOH I .   ? 0.8251 0.3380 0.8018 0.2466  0.0748  -0.3193 1048 HOH A O    
6303 O  O    . HOH I .   ? 0.3827 0.3996 0.3857 -0.1001 0.1435  -0.0365 1049 HOH A O    
6304 O  O    . HOH I .   ? 0.3279 1.0104 0.4600 -0.0246 0.1095  0.2144  1050 HOH A O    
6305 O  O    . HOH I .   ? 0.4195 0.2389 0.1690 -0.0838 0.0958  -0.0384 1051 HOH A O    
6306 O  O    . HOH I .   ? 0.3593 0.7104 0.5516 -0.0451 0.0871  0.1063  1052 HOH A O    
6307 O  O    . HOH I .   ? 0.5685 0.3535 0.4656 -0.0480 -0.0470 -0.1584 1053 HOH A O    
6308 O  O    . HOH I .   ? 0.4356 0.2895 0.1775 -0.0022 0.1808  0.0231  1054 HOH A O    
6309 O  O    . HOH I .   ? 0.4231 0.9248 1.1771 0.5124  0.1230  0.1808  1055 HOH A O    
6310 O  O    . HOH I .   ? 0.3066 0.3631 0.4934 -0.0177 0.1123  -0.0328 1056 HOH A O    
6311 O  O    . HOH I .   ? 0.2273 0.4971 0.2808 0.0414  0.0324  0.1259  1057 HOH A O    
6312 O  O    . HOH I .   ? 0.2255 0.2899 0.0855 0.0525  -0.0069 -0.0123 1058 HOH A O    
6313 O  O    . HOH I .   ? 0.2901 0.2859 0.2668 0.0403  0.0191  -0.0165 1059 HOH A O    
6314 O  O    . HOH I .   ? 0.6587 0.5245 0.3203 -0.2325 -0.0303 0.0700  1060 HOH A O    
6315 O  O    . HOH I .   ? 0.4634 0.6334 0.2434 -0.0020 -0.0567 0.1015  1061 HOH A O    
6316 O  O    . HOH I .   ? 0.6751 0.6683 0.3470 0.0195  -0.0612 -0.0201 1062 HOH A O    
6317 O  O    . HOH I .   ? 0.2984 0.3200 0.2593 -0.0225 0.0143  -0.1274 1063 HOH A O    
6318 O  O    . HOH I .   ? 0.9635 0.5051 0.3203 0.1950  0.1841  -0.0003 1064 HOH A O    
6319 O  O    . HOH I .   ? 0.6860 0.9237 1.0113 0.2374  0.0414  -0.3803 1065 HOH A O    
6320 O  O    . HOH I .   ? 0.2952 0.8089 0.7949 0.0337  0.0660  -0.0278 1066 HOH A O    
6321 O  O    . HOH I .   ? 0.5364 0.3692 0.3563 -0.0046 -0.1789 -0.0006 1067 HOH A O    
6322 O  O    . HOH I .   ? 0.5758 0.6960 1.0056 0.1289  -0.1882 -0.0834 1068 HOH A O    
6323 O  O    . HOH I .   ? 0.7142 0.4689 0.3364 0.0164  0.3015  -0.0007 1069 HOH A O    
6324 O  O    . HOH I .   ? 0.8393 0.4887 0.7331 0.0255  -0.1039 -0.0392 1070 HOH A O    
6325 O  O    . HOH I .   ? 0.8835 0.4163 0.3494 0.1343  -0.2314 0.1029  1071 HOH A O    
6326 O  O    . HOH I .   ? 1.2802 0.4540 0.6590 0.2498  0.1126  0.0224  1072 HOH A O    
6327 O  O    . HOH I .   ? 0.3855 0.4611 0.5699 0.0691  -0.1562 -0.2142 1073 HOH A O    
6328 O  O    . HOH I .   ? 0.4033 0.3052 0.3590 0.0394  -0.1641 -0.1016 1074 HOH A O    
6329 O  O    . HOH I .   ? 0.4248 1.0289 0.6243 -0.1515 0.1795  -0.1561 1075 HOH A O    
6330 O  O    . HOH I .   ? 0.3077 0.5853 0.3235 0.0452  0.0465  0.1316  1076 HOH A O    
6331 O  O    . HOH I .   ? 0.3901 0.5032 0.3739 0.1263  -0.0150 0.0352  1077 HOH A O    
6332 O  O    . HOH I .   ? 0.6430 0.8080 0.6157 -0.2902 0.1744  0.0287  1078 HOH A O    
6333 O  O    . HOH I .   ? 0.6180 0.3091 0.6290 0.1310  -0.0514 -0.0059 1079 HOH A O    
6334 O  O    . HOH I .   ? 0.3098 0.4535 0.1747 0.0863  0.0030  -0.0467 1080 HOH A O    
6335 O  O    . HOH I .   ? 0.3675 0.9647 0.0711 0.1144  0.0236  -0.0809 1081 HOH A O    
6336 O  O    . HOH I .   ? 0.8176 0.6781 0.4891 -0.0481 -0.0284 -0.1114 1082 HOH A O    
6337 O  O    . HOH I .   ? 0.6015 0.6920 0.5407 -0.1450 0.2297  0.0345  1083 HOH A O    
6338 O  O    . HOH I .   ? 0.6955 0.5359 0.5151 0.1955  -0.2052 -0.0823 1084 HOH A O    
6339 O  O    . HOH I .   ? 0.2767 0.3863 0.2687 0.0134  0.0601  0.0190  1085 HOH A O    
6340 O  O    . HOH I .   ? 0.1811 0.3612 0.2009 0.0072  0.0185  -0.0660 1086 HOH A O    
6341 O  O    . HOH I .   ? 4.3048 1.6180 2.5677 0.8418  1.5873  0.4788  1087 HOH A O    
6342 O  O    . HOH I .   ? 0.4113 0.6384 0.2892 -0.0580 -0.0047 -0.2646 1088 HOH A O    
6343 O  O    . HOH I .   ? 0.4839 0.6802 0.6060 -0.0469 0.2576  -0.0341 1089 HOH A O    
6344 O  O    . HOH I .   ? 0.3580 0.9967 0.3183 0.1787  -0.0459 -0.2226 1090 HOH A O    
6345 O  O    . HOH I .   ? 0.7610 0.5533 0.4451 0.0513  -0.0313 0.1235  1091 HOH A O    
6346 O  O    . HOH I .   ? 0.1859 0.2586 0.0942 -0.0172 -0.0184 0.0472  1092 HOH A O    
6347 O  O    . HOH I .   ? 0.3065 0.3966 0.1748 0.0199  -0.0638 0.0786  1093 HOH A O    
6348 O  O    . HOH I .   ? 0.9339 0.5015 0.5301 -0.0467 -0.3558 -0.0919 1094 HOH A O    
6349 O  O    . HOH I .   ? 0.2999 0.3834 0.3244 -0.0238 0.0753  -0.0230 1095 HOH A O    
6350 O  O    . HOH I .   ? 0.7827 0.9209 0.4133 -0.2489 0.2193  -0.2929 1096 HOH A O    
6351 O  O    . HOH I .   ? 0.3246 1.1399 0.6699 0.3701  0.2436  -0.0753 1097 HOH A O    
6352 O  O    . HOH I .   ? 0.9457 1.0947 0.5817 0.0983  0.0040  0.3846  1098 HOH A O    
6353 O  O    . HOH I .   ? 0.5951 0.8911 0.7392 0.2486  -0.1924 -0.0259 1099 HOH A O    
6354 O  O    . HOH I .   ? 0.5729 0.5513 0.6077 -0.0247 0.0102  0.0717  1100 HOH A O    
6355 O  O    . HOH I .   ? 0.3986 0.6616 0.6686 -0.0029 -0.1475 0.0336  1101 HOH A O    
6356 O  O    . HOH I .   ? 0.8482 0.4276 0.8698 -0.0314 0.4712  -0.0724 1102 HOH A O    
6357 O  O    . HOH I .   ? 0.7715 0.3133 0.5779 0.2443  -0.0459 -0.3121 1103 HOH A O    
6358 O  O    . HOH I .   ? 0.6191 0.2499 0.3330 -0.1883 0.0249  0.0458  1104 HOH A O    
6359 O  O    . HOH I .   ? 0.1678 0.4817 0.4088 0.2300  0.2177  0.1832  1105 HOH A O    
6360 O  O    . HOH I .   ? 0.3562 1.0091 0.5810 0.1995  0.0041  0.0012  1106 HOH A O    
6361 O  O    . HOH I .   ? 0.6694 1.0448 0.6640 0.1627  -0.1329 0.0551  1107 HOH A O    
6362 O  O    . HOH I .   ? 0.4195 0.6231 0.7971 -0.0326 -0.0789 0.1975  1108 HOH A O    
6363 O  O    . HOH I .   ? 0.3755 0.5370 0.4475 0.0686  0.0780  0.0675  1109 HOH A O    
6364 O  O    . HOH I .   ? 0.4604 0.8919 1.2322 -0.0325 -0.0575 -0.1222 1110 HOH A O    
6365 O  O    . HOH I .   ? 0.4138 0.3567 0.4056 -0.0847 0.0943  -0.1989 1111 HOH A O    
6366 O  O    . HOH I .   ? 0.4514 0.8722 0.4452 -0.1766 -0.0566 0.0518  1112 HOH A O    
6367 O  O    . HOH I .   ? 0.2967 0.4600 0.4485 -0.0352 0.1344  -0.1877 1113 HOH A O    
6368 O  O    . HOH I .   ? 0.6659 0.2970 0.6238 0.3144  0.0231  -0.1726 1114 HOH A O    
6369 O  O    . HOH I .   ? 0.6319 0.4281 0.4833 -0.1007 0.0700  -0.2131 1115 HOH A O    
# 
