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StarLiu714
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RNAcentral-Struct

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Tags:
RNA
RNAcentral
PDB
mmCIF
structural-biology
inverse-folding
License:
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+ WWPDB D_1000170896 ? ?
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24
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25
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26
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27
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+ #
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+ _pdbx_audit_revision_details.description ?
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+ _pdbx_audit_revision_details.details ?
36
+ #
37
+ loop_
38
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39
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40
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41
+ _pdbx_audit_revision_group.group
42
+ 1 2 'Structure model' 'Version format compliance'
43
+ 2 3 'Structure model' 'Version format compliance'
44
+ 3 4 'Structure model' 'Database references'
45
+ 4 4 'Structure model' 'Derived calculations'
46
+ 5 4 'Structure model' Other
47
+ 6 5 'Structure model' 'Data collection'
48
+ #
49
+ loop_
50
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+ 5 5 'Structure model' chem_comp_atom
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+ 6 5 'Structure model' chem_comp_bond
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+ #
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+ 3 4 'Structure model' '_pdbx_database_status.process_site'
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77
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78
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79
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80
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81
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82
+ #
83
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84
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85
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88
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94
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95
+ _citation.id primary
96
+ _citation.title 'Solution conformation of a five-nucleotide RNA bulge loop from a group I intron.'
97
+ _citation.journal_abbrev Biochemistry
98
+ _citation.journal_volume 36
99
+ _citation.page_first 10246
100
+ _citation.page_last 10255
101
+ _citation.year 1997
102
+ _citation.journal_id_ASTM BICHAW
103
+ _citation.country US
104
+ _citation.journal_id_ISSN 0006-2960
105
+ _citation.journal_id_CSD 0033
106
+ _citation.book_publisher 'University of California, Berkeley (Thesis)'
107
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108
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109
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110
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111
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112
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113
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114
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115
+ primary 'Luebke, K.J.' 1 ?
116
+ primary 'Landry, S.M.' 2 ?
117
+ primary 'Tinoco, I.' 3 ?
118
+ #
119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
+ 1 polymer man
131
+ ;RNA (5'-R(*GP*GP*UP*AP*AP*UP*AP*AP*GP*CP*UP*C)-3')
132
+ ;
133
+ 3836.344 1 ? ? ? 'FIVE-NUCLEOTIDE BULGE'
134
+ 2 polymer man
135
+ ;RNA (5'-R(*GP*AP*GP*UP*AP*CP*C)-3')
136
+ ;
137
+ 2220.395 1 ? ? ? 'FIVE-NUCLEOTIDE BULGE'
138
+ #
139
+ loop_
140
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141
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142
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143
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144
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145
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146
+ _entity_poly.pdbx_strand_id
147
+ _entity_poly.pdbx_target_identifier
148
+ 1 polyribonucleotide no no GGUAAUAAGCUC GGUAAUAAGCUC A ?
149
+ 2 polyribonucleotide no no GAGUACC GAGUACC B ?
150
+ #
151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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211
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212
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216
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217
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223
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225
+ 1 1 sample ? ? ? ? Tetrahymena ? ? ? ? ? ? ? 'Tetrahymena thermophila' 5911 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
226
+ ? ? ? 'IN VITRO TRANSCRIPT FROM OLIGONUCLEOTIDE TEMPLATE USING T7 RNA POLYMERASE'
227
+ 2 1 sample ? ? ? ? Tetrahymena ? ? ? ? ? ? ? 'Tetrahymena thermophila' 5911 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
228
+ ? ? ? 'IN VITRO TRANSCRIPT FROM OLIGONUCLEOTIDE TEMPLATE USING T7 RNA POLYMERASE'
229
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230
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231
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234
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236
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237
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238
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239
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
240
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
241
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
242
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243
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244
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245
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246
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249
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251
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253
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254
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255
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256
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257
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258
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259
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260
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261
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262
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263
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264
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265
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266
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267
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268
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269
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270
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271
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272
+ B 2 5 A 5 22 22 A A B . n
273
+ B 2 6 C 6 23 23 C C B . n
274
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275
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276
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280
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283
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284
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285
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286
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288
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291
+ _cell.angle_beta 90.00
292
+ _cell.angle_gamma 90.00
293
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294
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295
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296
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297
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298
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299
+ _symmetry.cell_setting ?
300
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301
+ #
302
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303
+ _exptl.method 'SOLUTION NMR'
304
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305
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312
+ _database_PDB_matrix.origx[2][3] 0.000000
313
+ _database_PDB_matrix.origx[3][1] 0.000000
314
+ _database_PDB_matrix.origx[3][2] 0.000000
315
+ _database_PDB_matrix.origx[3][3] 1.000000
316
+ _database_PDB_matrix.origx_vector[1] 0.00000
317
+ _database_PDB_matrix.origx_vector[2] 0.00000
318
+ _database_PDB_matrix.origx_vector[3] 0.00000
319
+ #
320
+ _struct.entry_id 1AJL
321
+ _struct.title 'FIVE-NUCLEOTIDE BULGE LOOP FROM TETRAHYMENA THERMOPHILA GROUP I INTRON'
322
+ _struct.pdbx_model_details ?
323
+ _struct.pdbx_CASP_flag ?
324
+ _struct.pdbx_model_type_details ?
325
+ #
326
+ _struct_keywords.entry_id 1AJL
327
+ _struct_keywords.pdbx_keywords RNA
328
+ _struct_keywords.text 'RNA BULGE LOOP, GROUP I INTRON, RIBONUCLEIC ACID, RNA'
329
+ #
330
+ loop_
331
+ _struct_asym.id
332
+ _struct_asym.pdbx_blank_PDB_chainid_flag
333
+ _struct_asym.pdbx_modified
334
+ _struct_asym.entity_id
335
+ _struct_asym.details
336
+ A N N 1 ?
337
+ B N N 2 ?
338
+ #
339
+ loop_
340
+ _struct_ref.id
341
+ _struct_ref.entity_id
342
+ _struct_ref.db_name
343
+ _struct_ref.db_code
344
+ _struct_ref.pdbx_db_accession
345
+ _struct_ref.pdbx_db_isoform
346
+ _struct_ref.pdbx_seq_one_letter_code
347
+ _struct_ref.pdbx_align_begin
348
+ 1 1 PDB 1AJL 1AJL ? ? ?
349
+ 2 2 PDB 1AJL 1AJL ? ? ?
350
+ #
351
+ loop_
352
+ _struct_ref_seq.align_id
353
+ _struct_ref_seq.ref_id
354
+ _struct_ref_seq.pdbx_PDB_id_code
355
+ _struct_ref_seq.pdbx_strand_id
356
+ _struct_ref_seq.seq_align_beg
357
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code
358
+ _struct_ref_seq.seq_align_end
359
+ _struct_ref_seq.pdbx_seq_align_end_ins_code
360
+ _struct_ref_seq.pdbx_db_accession
361
+ _struct_ref_seq.db_align_beg
362
+ _struct_ref_seq.pdbx_db_align_beg_ins_code
363
+ _struct_ref_seq.db_align_end
364
+ _struct_ref_seq.pdbx_db_align_end_ins_code
365
+ _struct_ref_seq.pdbx_auth_seq_align_beg
366
+ _struct_ref_seq.pdbx_auth_seq_align_end
367
+ 1 1 1AJL A 1 ? 12 ? 1AJL 2 ? 13 ? 2 13
368
+ 2 2 1AJL B 1 ? 7 ? 1AJL 18 ? 24 ? 18 24
369
+ #
370
+ _pdbx_struct_assembly.id 1
371
+ _pdbx_struct_assembly.details author_defined_assembly
372
+ _pdbx_struct_assembly.method_details ?
373
+ _pdbx_struct_assembly.oligomeric_details dimeric
374
+ _pdbx_struct_assembly.oligomeric_count 2
375
+ #
376
+ _pdbx_struct_assembly_gen.assembly_id 1
377
+ _pdbx_struct_assembly_gen.oper_expression 1
378
+ _pdbx_struct_assembly_gen.asym_id_list A,B
379
+ #
380
+ _pdbx_struct_oper_list.id 1
381
+ _pdbx_struct_oper_list.type 'identity operation'
382
+ _pdbx_struct_oper_list.name 1_555
383
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
384
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
385
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
386
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
387
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
388
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
389
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
390
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
391
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
392
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
393
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
394
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
395
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
396
+ #
397
+ _struct_biol.id 1
398
+ #
399
+ loop_
400
+ _struct_conn.id
401
+ _struct_conn.conn_type_id
402
+ _struct_conn.pdbx_leaving_atom_flag
403
+ _struct_conn.pdbx_PDB_id
404
+ _struct_conn.ptnr1_label_asym_id
405
+ _struct_conn.ptnr1_label_comp_id
406
+ _struct_conn.ptnr1_label_seq_id
407
+ _struct_conn.ptnr1_label_atom_id
408
+ _struct_conn.pdbx_ptnr1_label_alt_id
409
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
410
+ _struct_conn.pdbx_ptnr1_standard_comp_id
411
+ _struct_conn.ptnr1_symmetry
412
+ _struct_conn.ptnr2_label_asym_id
413
+ _struct_conn.ptnr2_label_comp_id
414
+ _struct_conn.ptnr2_label_seq_id
415
+ _struct_conn.ptnr2_label_atom_id
416
+ _struct_conn.pdbx_ptnr2_label_alt_id
417
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
418
+ _struct_conn.ptnr1_auth_asym_id
419
+ _struct_conn.ptnr1_auth_comp_id
420
+ _struct_conn.ptnr1_auth_seq_id
421
+ _struct_conn.ptnr2_auth_asym_id
422
+ _struct_conn.ptnr2_auth_comp_id
423
+ _struct_conn.ptnr2_auth_seq_id
424
+ _struct_conn.ptnr2_symmetry
425
+ _struct_conn.pdbx_ptnr3_label_atom_id
426
+ _struct_conn.pdbx_ptnr3_label_seq_id
427
+ _struct_conn.pdbx_ptnr3_label_comp_id
428
+ _struct_conn.pdbx_ptnr3_label_asym_id
429
+ _struct_conn.pdbx_ptnr3_label_alt_id
430
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
431
+ _struct_conn.details
432
+ _struct_conn.pdbx_dist_value
433
+ _struct_conn.pdbx_value_order
434
+ _struct_conn.pdbx_role
435
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 B C 7 N3 ? ? A G 2 B C 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
436
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 B C 7 O2 ? ? A G 2 B C 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
437
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 B C 7 N4 ? ? A G 2 B C 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
438
+ hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 B C 6 N3 ? ? A G 3 B C 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
439
+ hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 B C 6 O2 ? ? A G 3 B C 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
440
+ hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 B C 6 N4 ? ? A G 3 B C 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
441
+ hydrog7 hydrog ? ? A U 3 O2 ? ? ? 1_555 B A 5 N6 ? ? A U 4 B A 22 1_555 ? ? ? ? ? ? 'U-A PAIR' ? ? ?
442
+ hydrog8 hydrog ? ? A G 9 N1 ? ? ? 1_555 B U 4 O2 ? ? A G 10 B U 21 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
443
+ hydrog9 hydrog ? ? A G 9 O6 ? ? ? 1_555 B U 4 N3 ? ? A G 10 B U 21 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
444
+ hydrog10 hydrog ? ? A C 10 N3 ? ? ? 1_555 B G 3 N1 ? ? A C 11 B G 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
445
+ hydrog11 hydrog ? ? A C 10 N4 ? ? ? 1_555 B G 3 O6 ? ? A C 11 B G 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
446
+ hydrog12 hydrog ? ? A C 10 O2 ? ? ? 1_555 B G 3 N2 ? ? A C 11 B G 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
447
+ hydrog13 hydrog ? ? A U 11 N3 ? ? ? 1_555 B A 2 N1 ? ? A U 12 B A 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
448
+ hydrog14 hydrog ? ? A U 11 O4 ? ? ? 1_555 B A 2 N6 ? ? A U 12 B A 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
449
+ hydrog15 hydrog ? ? A C 12 N3 ? ? ? 1_555 B G 1 N1 ? ? A C 13 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
450
+ hydrog16 hydrog ? ? A C 12 N4 ? ? ? 1_555 B G 1 O6 ? ? A C 13 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
451
+ hydrog17 hydrog ? ? A C 12 O2 ? ? ? 1_555 B G 1 N2 ? ? A C 13 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
452
+ #
453
+ _struct_conn_type.id hydrog
454
+ _struct_conn_type.criteria ?
455
+ _struct_conn_type.reference ?
456
+ #
457
+ loop_
458
+ _pdbx_validate_close_contact.id
459
+ _pdbx_validate_close_contact.PDB_model_num
460
+ _pdbx_validate_close_contact.auth_atom_id_1
461
+ _pdbx_validate_close_contact.auth_asym_id_1
462
+ _pdbx_validate_close_contact.auth_comp_id_1
463
+ _pdbx_validate_close_contact.auth_seq_id_1
464
+ _pdbx_validate_close_contact.PDB_ins_code_1
465
+ _pdbx_validate_close_contact.label_alt_id_1
466
+ _pdbx_validate_close_contact.auth_atom_id_2
467
+ _pdbx_validate_close_contact.auth_asym_id_2
468
+ _pdbx_validate_close_contact.auth_comp_id_2
469
+ _pdbx_validate_close_contact.auth_seq_id_2
470
+ _pdbx_validate_close_contact.PDB_ins_code_2
471
+ _pdbx_validate_close_contact.label_alt_id_2
472
+ _pdbx_validate_close_contact.dist
473
+ 1 1 "HO2'" A A 9 ? ? OP2 A G 10 ? ? 1.50
474
+ 2 1 O2 A U 4 ? ? H61 B A 22 ? ? 1.55
475
+ #
476
+ _pdbx_nmr_ensemble.entry_id 1AJL
477
+ _pdbx_nmr_ensemble.conformers_calculated_total_number 20
478
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
479
+ _pdbx_nmr_ensemble.conformer_selection_criteria 'LEAST RESTRAINT VIOLATION'
480
+ #
481
+ _pdbx_nmr_exptl_sample_conditions.conditions_id 1
482
+ _pdbx_nmr_exptl_sample_conditions.temperature 298
483
+ _pdbx_nmr_exptl_sample_conditions.pressure ?
484
+ _pdbx_nmr_exptl_sample_conditions.pH 6.7
485
+ _pdbx_nmr_exptl_sample_conditions.ionic_strength ?
486
+ _pdbx_nmr_exptl_sample_conditions.pressure_units .
487
+ _pdbx_nmr_exptl_sample_conditions.temperature_units K
488
+ #
489
+ loop_
490
+ _pdbx_nmr_exptl.experiment_id
491
+ _pdbx_nmr_exptl.conditions_id
492
+ _pdbx_nmr_exptl.type
493
+ _pdbx_nmr_exptl.solution_id
494
+ 1 1 NOESY 1
495
+ 2 1 DQF-COSY 1
496
+ 3 1 HMQC 1
497
+ 4 1 TOCSY 1
498
+ 5 1 TOCSY-NOESY 1
499
+ 6 1 'H-P CORRELATED' 1
500
+ #
501
+ _pdbx_nmr_refine.entry_id 1AJL
502
+ _pdbx_nmr_refine.method 'RESTRAINED MOLECULAR DYNAMICS'
503
+ _pdbx_nmr_refine.details 'REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE.'
504
+ _pdbx_nmr_refine.software_ordinal 1
505
+ #
506
+ loop_
507
+ _pdbx_nmr_software.classification
508
+ _pdbx_nmr_software.name
509
+ _pdbx_nmr_software.version
510
+ _pdbx_nmr_software.authors
511
+ _pdbx_nmr_software.ordinal
512
+ refinement X-PLOR 2.2 BRUNGER 1
513
+ 'structure solution' FELIX230 ? ? 2
514
+ 'structure solution' X-PLOR2.2 ? ? 3
515
+ #
516
+ loop_
517
+ _chem_comp_atom.comp_id
518
+ _chem_comp_atom.atom_id
519
+ _chem_comp_atom.type_symbol
520
+ _chem_comp_atom.pdbx_aromatic_flag
521
+ _chem_comp_atom.pdbx_stereo_config
522
+ _chem_comp_atom.pdbx_ordinal
523
+ A OP3 O N N 1
524
+ A P P N N 2
525
+ A OP1 O N N 3
526
+ A OP2 O N N 4
527
+ A "O5'" O N N 5
528
+ A "C5'" C N N 6
529
+ A "C4'" C N R 7
530
+ A "O4'" O N N 8
531
+ A "C3'" C N S 9
532
+ A "O3'" O N N 10
533
+ A "C2'" C N R 11
534
+ A "O2'" O N N 12
535
+ A "C1'" C N R 13
536
+ A N9 N Y N 14
537
+ A C8 C Y N 15
538
+ A N7 N Y N 16
539
+ A C5 C Y N 17
540
+ A C6 C Y N 18
541
+ A N6 N N N 19
542
+ A N1 N Y N 20
543
+ A C2 C Y N 21
544
+ A N3 N Y N 22
545
+ A C4 C Y N 23
546
+ A HOP3 H N N 24
547
+ A HOP2 H N N 25
548
+ A "H5'" H N N 26
549
+ A "H5''" H N N 27
550
+ A "H4'" H N N 28
551
+ A "H3'" H N N 29
552
+ A "HO3'" H N N 30
553
+ A "H2'" H N N 31
554
+ A "HO2'" H N N 32
555
+ A "H1'" H N N 33
556
+ A H8 H N N 34
557
+ A H61 H N N 35
558
+ A H62 H N N 36
559
+ A H2 H N N 37
560
+ C OP3 O N N 38
561
+ C P P N N 39
562
+ C OP1 O N N 40
563
+ C OP2 O N N 41
564
+ C "O5'" O N N 42
565
+ C "C5'" C N N 43
566
+ C "C4'" C N R 44
567
+ C "O4'" O N N 45
568
+ C "C3'" C N S 46
569
+ C "O3'" O N N 47
570
+ C "C2'" C N R 48
571
+ C "O2'" O N N 49
572
+ C "C1'" C N R 50
573
+ C N1 N N N 51
574
+ C C2 C N N 52
575
+ C O2 O N N 53
576
+ C N3 N N N 54
577
+ C C4 C N N 55
578
+ C N4 N N N 56
579
+ C C5 C N N 57
580
+ C C6 C N N 58
581
+ C HOP3 H N N 59
582
+ C HOP2 H N N 60
583
+ C "H5'" H N N 61
584
+ C "H5''" H N N 62
585
+ C "H4'" H N N 63
586
+ C "H3'" H N N 64
587
+ C "HO3'" H N N 65
588
+ C "H2'" H N N 66
589
+ C "HO2'" H N N 67
590
+ C "H1'" H N N 68
591
+ C H41 H N N 69
592
+ C H42 H N N 70
593
+ C H5 H N N 71
594
+ C H6 H N N 72
595
+ G OP3 O N N 73
596
+ G P P N N 74
597
+ G OP1 O N N 75
598
+ G OP2 O N N 76
599
+ G "O5'" O N N 77
600
+ G "C5'" C N N 78
601
+ G "C4'" C N R 79
602
+ G "O4'" O N N 80
603
+ G "C3'" C N S 81
604
+ G "O3'" O N N 82
605
+ G "C2'" C N R 83
606
+ G "O2'" O N N 84
607
+ G "C1'" C N R 85
608
+ G N9 N Y N 86
609
+ G C8 C Y N 87
610
+ G N7 N Y N 88
611
+ G C5 C Y N 89
612
+ G C6 C N N 90
613
+ G O6 O N N 91
614
+ G N1 N N N 92
615
+ G C2 C N N 93
616
+ G N2 N N N 94
617
+ G N3 N N N 95
618
+ G C4 C Y N 96
619
+ G HOP3 H N N 97
620
+ G HOP2 H N N 98
621
+ G "H5'" H N N 99
622
+ G "H5''" H N N 100
623
+ G "H4'" H N N 101
624
+ G "H3'" H N N 102
625
+ G "HO3'" H N N 103
626
+ G "H2'" H N N 104
627
+ G "HO2'" H N N 105
628
+ G "H1'" H N N 106
629
+ G H8 H N N 107
630
+ G H1 H N N 108
631
+ G H21 H N N 109
632
+ G H22 H N N 110
633
+ U OP3 O N N 111
634
+ U P P N N 112
635
+ U OP1 O N N 113
636
+ U OP2 O N N 114
637
+ U "O5'" O N N 115
638
+ U "C5'" C N N 116
639
+ U "C4'" C N R 117
640
+ U "O4'" O N N 118
641
+ U "C3'" C N S 119
642
+ U "O3'" O N N 120
643
+ U "C2'" C N R 121
644
+ U "O2'" O N N 122
645
+ U "C1'" C N R 123
646
+ U N1 N N N 124
647
+ U C2 C N N 125
648
+ U O2 O N N 126
649
+ U N3 N N N 127
650
+ U C4 C N N 128
651
+ U O4 O N N 129
652
+ U C5 C N N 130
653
+ U C6 C N N 131
654
+ U HOP3 H N N 132
655
+ U HOP2 H N N 133
656
+ U "H5'" H N N 134
657
+ U "H5''" H N N 135
658
+ U "H4'" H N N 136
659
+ U "H3'" H N N 137
660
+ U "HO3'" H N N 138
661
+ U "H2'" H N N 139
662
+ U "HO2'" H N N 140
663
+ U "H1'" H N N 141
664
+ U H3 H N N 142
665
+ U H5 H N N 143
666
+ U H6 H N N 144
667
+ #
668
+ loop_
669
+ _chem_comp_bond.comp_id
670
+ _chem_comp_bond.atom_id_1
671
+ _chem_comp_bond.atom_id_2
672
+ _chem_comp_bond.value_order
673
+ _chem_comp_bond.pdbx_aromatic_flag
674
+ _chem_comp_bond.pdbx_stereo_config
675
+ _chem_comp_bond.pdbx_ordinal
676
+ A OP3 P sing N N 1
677
+ A OP3 HOP3 sing N N 2
678
+ A P OP1 doub N N 3
679
+ A P OP2 sing N N 4
680
+ A P "O5'" sing N N 5
681
+ A OP2 HOP2 sing N N 6
682
+ A "O5'" "C5'" sing N N 7
683
+ A "C5'" "C4'" sing N N 8
684
+ A "C5'" "H5'" sing N N 9
685
+ A "C5'" "H5''" sing N N 10
686
+ A "C4'" "O4'" sing N N 11
687
+ A "C4'" "C3'" sing N N 12
688
+ A "C4'" "H4'" sing N N 13
689
+ A "O4'" "C1'" sing N N 14
690
+ A "C3'" "O3'" sing N N 15
691
+ A "C3'" "C2'" sing N N 16
692
+ A "C3'" "H3'" sing N N 17
693
+ A "O3'" "HO3'" sing N N 18
694
+ A "C2'" "O2'" sing N N 19
695
+ A "C2'" "C1'" sing N N 20
696
+ A "C2'" "H2'" sing N N 21
697
+ A "O2'" "HO2'" sing N N 22
698
+ A "C1'" N9 sing N N 23
699
+ A "C1'" "H1'" sing N N 24
700
+ A N9 C8 sing Y N 25
701
+ A N9 C4 sing Y N 26
702
+ A C8 N7 doub Y N 27
703
+ A C8 H8 sing N N 28
704
+ A N7 C5 sing Y N 29
705
+ A C5 C6 sing Y N 30
706
+ A C5 C4 doub Y N 31
707
+ A C6 N6 sing N N 32
708
+ A C6 N1 doub Y N 33
709
+ A N6 H61 sing N N 34
710
+ A N6 H62 sing N N 35
711
+ A N1 C2 sing Y N 36
712
+ A C2 N3 doub Y N 37
713
+ A C2 H2 sing N N 38
714
+ A N3 C4 sing Y N 39
715
+ C OP3 P sing N N 40
716
+ C OP3 HOP3 sing N N 41
717
+ C P OP1 doub N N 42
718
+ C P OP2 sing N N 43
719
+ C P "O5'" sing N N 44
720
+ C OP2 HOP2 sing N N 45
721
+ C "O5'" "C5'" sing N N 46
722
+ C "C5'" "C4'" sing N N 47
723
+ C "C5'" "H5'" sing N N 48
724
+ C "C5'" "H5''" sing N N 49
725
+ C "C4'" "O4'" sing N N 50
726
+ C "C4'" "C3'" sing N N 51
727
+ C "C4'" "H4'" sing N N 52
728
+ C "O4'" "C1'" sing N N 53
729
+ C "C3'" "O3'" sing N N 54
730
+ C "C3'" "C2'" sing N N 55
731
+ C "C3'" "H3'" sing N N 56
732
+ C "O3'" "HO3'" sing N N 57
733
+ C "C2'" "O2'" sing N N 58
734
+ C "C2'" "C1'" sing N N 59
735
+ C "C2'" "H2'" sing N N 60
736
+ C "O2'" "HO2'" sing N N 61
737
+ C "C1'" N1 sing N N 62
738
+ C "C1'" "H1'" sing N N 63
739
+ C N1 C2 sing N N 64
740
+ C N1 C6 sing N N 65
741
+ C C2 O2 doub N N 66
742
+ C C2 N3 sing N N 67
743
+ C N3 C4 doub N N 68
744
+ C C4 N4 sing N N 69
745
+ C C4 C5 sing N N 70
746
+ C N4 H41 sing N N 71
747
+ C N4 H42 sing N N 72
748
+ C C5 C6 doub N N 73
749
+ C C5 H5 sing N N 74
750
+ C C6 H6 sing N N 75
751
+ G OP3 P sing N N 76
752
+ G OP3 HOP3 sing N N 77
753
+ G P OP1 doub N N 78
754
+ G P OP2 sing N N 79
755
+ G P "O5'" sing N N 80
756
+ G OP2 HOP2 sing N N 81
757
+ G "O5'" "C5'" sing N N 82
758
+ G "C5'" "C4'" sing N N 83
759
+ G "C5'" "H5'" sing N N 84
760
+ G "C5'" "H5''" sing N N 85
761
+ G "C4'" "O4'" sing N N 86
762
+ G "C4'" "C3'" sing N N 87
763
+ G "C4'" "H4'" sing N N 88
764
+ G "O4'" "C1'" sing N N 89
765
+ G "C3'" "O3'" sing N N 90
766
+ G "C3'" "C2'" sing N N 91
767
+ G "C3'" "H3'" sing N N 92
768
+ G "O3'" "HO3'" sing N N 93
769
+ G "C2'" "O2'" sing N N 94
770
+ G "C2'" "C1'" sing N N 95
771
+ G "C2'" "H2'" sing N N 96
772
+ G "O2'" "HO2'" sing N N 97
773
+ G "C1'" N9 sing N N 98
774
+ G "C1'" "H1'" sing N N 99
775
+ G N9 C8 sing Y N 100
776
+ G N9 C4 sing Y N 101
777
+ G C8 N7 doub Y N 102
778
+ G C8 H8 sing N N 103
779
+ G N7 C5 sing Y N 104
780
+ G C5 C6 sing N N 105
781
+ G C5 C4 doub Y N 106
782
+ G C6 O6 doub N N 107
783
+ G C6 N1 sing N N 108
784
+ G N1 C2 sing N N 109
785
+ G N1 H1 sing N N 110
786
+ G C2 N2 sing N N 111
787
+ G C2 N3 doub N N 112
788
+ G N2 H21 sing N N 113
789
+ G N2 H22 sing N N 114
790
+ G N3 C4 sing N N 115
791
+ U OP3 P sing N N 116
792
+ U OP3 HOP3 sing N N 117
793
+ U P OP1 doub N N 118
794
+ U P OP2 sing N N 119
795
+ U P "O5'" sing N N 120
796
+ U OP2 HOP2 sing N N 121
797
+ U "O5'" "C5'" sing N N 122
798
+ U "C5'" "C4'" sing N N 123
799
+ U "C5'" "H5'" sing N N 124
800
+ U "C5'" "H5''" sing N N 125
801
+ U "C4'" "O4'" sing N N 126
802
+ U "C4'" "C3'" sing N N 127
803
+ U "C4'" "H4'" sing N N 128
804
+ U "O4'" "C1'" sing N N 129
805
+ U "C3'" "O3'" sing N N 130
806
+ U "C3'" "C2'" sing N N 131
807
+ U "C3'" "H3'" sing N N 132
808
+ U "O3'" "HO3'" sing N N 133
809
+ U "C2'" "O2'" sing N N 134
810
+ U "C2'" "C1'" sing N N 135
811
+ U "C2'" "H2'" sing N N 136
812
+ U "O2'" "HO2'" sing N N 137
813
+ U "C1'" N1 sing N N 138
814
+ U "C1'" "H1'" sing N N 139
815
+ U N1 C2 sing N N 140
816
+ U N1 C6 sing N N 141
817
+ U C2 O2 doub N N 142
818
+ U C2 N3 sing N N 143
819
+ U N3 C4 sing N N 144
820
+ U N3 H3 sing N N 145
821
+ U C4 O4 doub N N 146
822
+ U C4 C5 sing N N 147
823
+ U C5 C6 doub N N 148
824
+ U C5 H5 sing N N 149
825
+ U C6 H6 sing N N 150
826
+ #
827
+ loop_
828
+ _ndb_struct_conf_na.entry_id
829
+ _ndb_struct_conf_na.feature
830
+ 1AJL 'double helix'
831
+ 1AJL 'a-form double helix'
832
+ 1AJL 'bulge loop'
833
+ 1AJL 'mismatched base pair'
834
+ #
835
+ loop_
836
+ _ndb_struct_na_base_pair.model_number
837
+ _ndb_struct_na_base_pair.i_label_asym_id
838
+ _ndb_struct_na_base_pair.i_label_comp_id
839
+ _ndb_struct_na_base_pair.i_label_seq_id
840
+ _ndb_struct_na_base_pair.i_symmetry
841
+ _ndb_struct_na_base_pair.j_label_asym_id
842
+ _ndb_struct_na_base_pair.j_label_comp_id
843
+ _ndb_struct_na_base_pair.j_label_seq_id
844
+ _ndb_struct_na_base_pair.j_symmetry
845
+ _ndb_struct_na_base_pair.shear
846
+ _ndb_struct_na_base_pair.stretch
847
+ _ndb_struct_na_base_pair.stagger
848
+ _ndb_struct_na_base_pair.buckle
849
+ _ndb_struct_na_base_pair.propeller
850
+ _ndb_struct_na_base_pair.opening
851
+ _ndb_struct_na_base_pair.pair_number
852
+ _ndb_struct_na_base_pair.pair_name
853
+ _ndb_struct_na_base_pair.i_auth_asym_id
854
+ _ndb_struct_na_base_pair.i_auth_seq_id
855
+ _ndb_struct_na_base_pair.i_PDB_ins_code
856
+ _ndb_struct_na_base_pair.j_auth_asym_id
857
+ _ndb_struct_na_base_pair.j_auth_seq_id
858
+ _ndb_struct_na_base_pair.j_PDB_ins_code
859
+ _ndb_struct_na_base_pair.hbond_type_28
860
+ _ndb_struct_na_base_pair.hbond_type_12
861
+ 1 A G 1 1_555 B C 7 1_555 -0.515 -0.365 0.135 28.238 -18.460 4.172 1 A_G2:C24_B A 2 ? B 24 ? 19 1
862
+ 1 A G 2 1_555 B C 6 1_555 -0.502 -0.529 -0.679 -1.503 -24.538 2.461 2 A_G3:C23_B A 3 ? B 23 ? 19 1
863
+ 1 A U 3 1_555 B A 5 1_555 4.983 -1.175 -0.193 6.516 -11.203 -1.195 3 A_U4:A22_B A 4 ? B 22 ? ? ?
864
+ 1 A G 9 1_555 B U 4 1_555 -2.352 -0.556 -0.797 7.012 9.565 5.014 4 A_G10:U21_B A 10 ? B 21 ? 28 1
865
+ 1 A C 10 1_555 B G 3 1_555 0.419 -0.706 -1.317 8.291 -16.506 10.630 5 A_C11:G20_B A 11 ? B 20 ? 19 1
866
+ 1 A U 11 1_555 B A 2 1_555 0.169 -0.207 -0.276 3.549 -1.520 -7.991 6 A_U12:A19_B A 12 ? B 19 ? 20 1
867
+ 1 A C 12 1_555 B G 1 1_555 0.439 -0.330 -0.534 18.184 -14.516 -3.691 7 A_C13:G18_B A 13 ? B 18 ? 19 1
868
+ #
869
+ loop_
870
+ _ndb_struct_na_base_pair_step.model_number
871
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
872
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
873
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
874
+ _ndb_struct_na_base_pair_step.i_symmetry_1
875
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
876
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
877
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
878
+ _ndb_struct_na_base_pair_step.j_symmetry_1
879
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
880
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
881
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
882
+ _ndb_struct_na_base_pair_step.i_symmetry_2
883
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
884
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
885
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
886
+ _ndb_struct_na_base_pair_step.j_symmetry_2
887
+ _ndb_struct_na_base_pair_step.shift
888
+ _ndb_struct_na_base_pair_step.slide
889
+ _ndb_struct_na_base_pair_step.rise
890
+ _ndb_struct_na_base_pair_step.tilt
891
+ _ndb_struct_na_base_pair_step.roll
892
+ _ndb_struct_na_base_pair_step.twist
893
+ _ndb_struct_na_base_pair_step.x_displacement
894
+ _ndb_struct_na_base_pair_step.y_displacement
895
+ _ndb_struct_na_base_pair_step.helical_rise
896
+ _ndb_struct_na_base_pair_step.inclination
897
+ _ndb_struct_na_base_pair_step.tip
898
+ _ndb_struct_na_base_pair_step.helical_twist
899
+ _ndb_struct_na_base_pair_step.step_number
900
+ _ndb_struct_na_base_pair_step.step_name
901
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
902
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
903
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
904
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
905
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
906
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
907
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
908
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
909
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
910
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
911
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
912
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
913
+ 1 A G 1 1_555 B C 7 1_555 A G 2 1_555 B C 6 1_555 -1.524 0.430 4.207 0.944 34.757 34.815 -3.120 1.943 3.314 46.286 -1.257
914
+ 48.820 1 AA_G2G3:C23C24_BB A 2 ? B 24 ? A 3 ? B 23 ?
915
+ 1 A G 2 1_555 B C 6 1_555 A U 3 1_555 B A 5 1_555 1.255 -0.143 2.900 -0.818 9.393 53.876 -0.655 -1.411 2.823 10.277 0.895
916
+ 54.634 2 AA_G3U4:A22C23_BB A 3 ? B 23 ? A 4 ? B 22 ?
917
+ 1 A G 9 1_555 B U 4 1_555 A C 10 1_555 B G 3 1_555 -1.050 -1.417 3.283 6.312 1.382 42.654 -2.061 2.034 3.059 1.887 -8.618
918
+ 43.118 3 AA_G10C11:G20U21_BB A 10 ? B 21 ? A 11 ? B 20 ?
919
+ 1 A C 10 1_555 B G 3 1_555 A U 11 1_555 B A 2 1_555 -1.742 -0.919 3.565 -5.330 15.419 31.809 -3.906 2.014 3.058 26.098 9.021
920
+ 35.652 4 AA_C11U12:A19G20_BB A 11 ? B 20 ? A 12 ? B 19 ?
921
+ 1 A U 11 1_555 B A 2 1_555 A C 12 1_555 B G 1 1_555 1.521 -0.462 2.771 5.275 7.599 36.427 -1.578 -1.766 2.807 11.921 -8.275
922
+ 37.545 5 AA_U12C13:G18A19_BB A 12 ? B 19 ? A 13 ? B 18 ?
923
+ #
924
+ loop_
925
+ _pdbx_nmr_spectrometer.spectrometer_id
926
+ _pdbx_nmr_spectrometer.model
927
+ _pdbx_nmr_spectrometer.manufacturer
928
+ _pdbx_nmr_spectrometer.field_strength
929
+ 1 AMX300 Bruker 300
930
+ 2 AMX600 Bruker 600
931
+ 3 GN500 GE 500
932
+ #
933
+ _atom_sites.entry_id 1AJL
934
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
935
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
936
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
937
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
938
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
939
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
940
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
941
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
942
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
943
+ _atom_sites.fract_transf_vector[1] 0.00000
944
+ _atom_sites.fract_transf_vector[2] 0.00000
945
+ _atom_sites.fract_transf_vector[3] 0.00000
946
+ #
947
+ loop_
948
+ _atom_type.symbol
949
+ C
950
+ H
951
+ N
952
+ O
953
+ P
954
+ #
955
+ loop_
956
+ _atom_site.group_PDB
957
+ _atom_site.id
958
+ _atom_site.type_symbol
959
+ _atom_site.label_atom_id
960
+ _atom_site.label_alt_id
961
+ _atom_site.label_comp_id
962
+ _atom_site.label_asym_id
963
+ _atom_site.label_entity_id
964
+ _atom_site.label_seq_id
965
+ _atom_site.pdbx_PDB_ins_code
966
+ _atom_site.Cartn_x
967
+ _atom_site.Cartn_y
968
+ _atom_site.Cartn_z
969
+ _atom_site.occupancy
970
+ _atom_site.B_iso_or_equiv
971
+ _atom_site.pdbx_formal_charge
972
+ _atom_site.auth_seq_id
973
+ _atom_site.auth_comp_id
974
+ _atom_site.auth_asym_id
975
+ _atom_site.auth_atom_id
976
+ _atom_site.pdbx_PDB_model_num
977
+ ATOM 1 O "O5'" . G A 1 1 ? 14.760 0.483 0.955 1.00 0.00 ? 2 G A "O5'" 1
978
+ ATOM 2 C "C5'" . G A 1 1 ? 15.465 0.471 2.200 1.00 0.00 ? 2 G A "C5'" 1
979
+ ATOM 3 C "C4'" . G A 1 1 ? 14.605 1.013 3.339 1.00 0.00 ? 2 G A "C4'" 1
980
+ ATOM 4 O "O4'" . G A 1 1 ? 14.150 2.326 3.004 1.00 0.00 ? 2 G A "O4'" 1
981
+ ATOM 5 C "C3'" . G A 1 1 ? 13.322 0.247 3.592 1.00 0.00 ? 2 G A "C3'" 1
982
+ ATOM 6 O "O3'" . G A 1 1 ? 13.630 -0.795 4.534 1.00 0.00 ? 2 G A "O3'" 1
983
+ ATOM 7 C "C2'" . G A 1 1 ? 12.455 1.280 4.305 1.00 0.00 ? 2 G A "C2'" 1
984
+ ATOM 8 O "O2'" . G A 1 1 ? 12.737 1.305 5.709 1.00 0.00 ? 2 G A "O2'" 1
985
+ ATOM 9 C "C1'" . G A 1 1 ? 12.889 2.593 3.646 1.00 0.00 ? 2 G A "C1'" 1
986
+ ATOM 10 N N9 . G A 1 1 ? 11.922 3.055 2.633 1.00 0.00 ? 2 G A N9 1
987
+ ATOM 11 C C8 . G A 1 1 ? 11.572 2.460 1.451 1.00 0.00 ? 2 G A C8 1
988
+ ATOM 12 N N7 . G A 1 1 ? 10.681 3.128 0.770 1.00 0.00 ? 2 G A N7 1
989
+ ATOM 13 C C5 . G A 1 1 ? 10.422 4.244 1.562 1.00 0.00 ? 2 G A C5 1
990
+ ATOM 14 C C6 . G A 1 1 ? 9.536 5.338 1.347 1.00 0.00 ? 2 G A C6 1
991
+ ATOM 15 O O6 . G A 1 1 ? 8.794 5.552 0.389 1.00 0.00 ? 2 G A O6 1
992
+ ATOM 16 N N1 . G A 1 1 ? 9.581 6.239 2.392 1.00 0.00 ? 2 G A N1 1
993
+ ATOM 17 C C2 . G A 1 1 ? 10.373 6.119 3.504 1.00 0.00 ? 2 G A C2 1
994
+ ATOM 18 N N2 . G A 1 1 ? 10.276 7.074 4.418 1.00 0.00 ? 2 G A N2 1
995
+ ATOM 19 N N3 . G A 1 1 ? 11.208 5.107 3.720 1.00 0.00 ? 2 G A N3 1
996
+ ATOM 20 C C4 . G A 1 1 ? 11.179 4.207 2.708 1.00 0.00 ? 2 G A C4 1
997
+ ATOM 21 H "H5'" . G A 1 1 ? 16.361 1.086 2.108 1.00 0.00 ? 2 G A "H5'" 1
998
+ ATOM 22 H "H5''" . G A 1 1 ? 15.759 -0.552 2.433 1.00 0.00 ? 2 G A "H5''" 1
999
+ ATOM 23 H "H4'" . G A 1 1 ? 15.207 1.065 4.246 1.00 0.00 ? 2 G A "H4'" 1
1000
+ ATOM 24 H "H3'" . G A 1 1 ? 12.865 -0.144 2.682 1.00 0.00 ? 2 G A "H3'" 1
1001
+ ATOM 25 H "H2'" . G A 1 1 ? 11.401 1.093 4.117 1.00 0.00 ? 2 G A "H2'" 1
1002
+ ATOM 26 H "HO2'" . G A 1 1 ? 12.222 0.602 6.116 1.00 0.00 ? 2 G A "HO2'" 1
1003
+ ATOM 27 H "H1'" . G A 1 1 ? 13.027 3.374 4.394 1.00 0.00 ? 2 G A "H1'" 1
1004
+ ATOM 28 H H8 . G A 1 1 ? 11.985 1.508 1.122 1.00 0.00 ? 2 G A H8 1
1005
+ ATOM 29 H H1 . G A 1 1 ? 8.980 7.044 2.326 1.00 0.00 ? 2 G A H1 1
1006
+ ATOM 30 H H21 . G A 1 1 ? 9.619 7.829 4.292 1.00 0.00 ? 2 G A H21 1
1007
+ ATOM 31 H H22 . G A 1 1 ? 10.856 7.040 5.242 1.00 0.00 ? 2 G A H22 1
1008
+ ATOM 32 H "HO5'" . G A 1 1 ? 14.328 1.338 0.882 1.00 0.00 ? 2 G A "HO5'" 1
1009
+ ATOM 33 P P . G A 1 2 ? 12.514 -1.865 4.998 1.00 0.00 ? 3 G A P 1
1010
+ ATOM 34 O OP1 . G A 1 2 ? 13.202 -2.996 5.659 1.00 0.00 ? 3 G A OP1 1
1011
+ ATOM 35 O OP2 . G A 1 2 ? 11.607 -2.119 3.857 1.00 0.00 ? 3 G A OP2 1
1012
+ ATOM 36 O "O5'" . G A 1 2 ? 11.684 -1.046 6.125 1.00 0.00 ? 3 G A "O5'" 1
1013
+ ATOM 37 C "C5'" . G A 1 2 ? 12.031 -1.022 7.537 1.00 0.00 ? 3 G A "C5'" 1
1014
+ ATOM 38 C "C4'" . G A 1 2 ? 10.746 -0.812 8.340 1.00 0.00 ? 3 G A "C4'" 1
1015
+ ATOM 39 O "O4'" . G A 1 2 ? 10.250 0.503 8.049 1.00 0.00 ? 3 G A "O4'" 1
1016
+ ATOM 40 C "C3'" . G A 1 2 ? 9.712 -1.773 7.809 1.00 0.00 ? 3 G A "C3'" 1
1017
+ ATOM 41 O "O3'" . G A 1 2 ? 9.491 -2.881 8.695 1.00 0.00 ? 3 G A "O3'" 1
1018
+ ATOM 42 C "C2'" . G A 1 2 ? 8.418 -0.965 7.921 1.00 0.00 ? 3 G A "C2'" 1
1019
+ ATOM 43 O "O2'" . G A 1 2 ? 7.886 -1.062 9.248 1.00 0.00 ? 3 G A "O2'" 1
1020
+ ATOM 44 C "C1'" . G A 1 2 ? 8.877 0.458 7.642 1.00 0.00 ? 3 G A "C1'" 1
1021
+ ATOM 45 N N9 . G A 1 2 ? 8.789 0.799 6.208 1.00 0.00 ? 3 G A N9 1
1022
+ ATOM 46 C C8 . G A 1 2 ? 9.509 0.278 5.168 1.00 0.00 ? 3 G A C8 1
1023
+ ATOM 47 N N7 . G A 1 2 ? 9.192 0.774 4.006 1.00 0.00 ? 3 G A N7 1
1024
+ ATOM 48 C C5 . G A 1 2 ? 8.189 1.690 4.296 1.00 0.00 ? 3 G A C5 1
1025
+ ATOM 49 C C6 . G A 1 2 ? 7.452 2.540 3.428 1.00 0.00 ? 3 G A C6 1
1026
+ ATOM 50 O O6 . G A 1 2 ? 7.544 2.653 2.209 1.00 0.00 ? 3 G A O6 1
1027
+ ATOM 51 N N1 . G A 1 2 ? 6.536 3.304 4.123 1.00 0.00 ? 3 G A N1 1
1028
+ ATOM 52 C C2 . G A 1 2 ? 6.344 3.265 5.479 1.00 0.00 ? 3 G A C2 1
1029
+ ATOM 53 N N2 . G A 1 2 ? 5.416 4.070 5.977 1.00 0.00 ? 3 G A N2 1
1030
+ ATOM 54 N N3 . G A 1 2 ? 7.026 2.477 6.309 1.00 0.00 ? 3 G A N3 1
1031
+ ATOM 55 C C4 . G A 1 2 ? 7.932 1.716 5.646 1.00 0.00 ? 3 G A C4 1
1032
+ ATOM 56 H "H5'" . G A 1 2 ? 12.727 -0.206 7.735 1.00 0.00 ? 3 G A "H5'" 1
1033
+ ATOM 57 H "H5''" . G A 1 2 ? 12.487 -1.971 7.818 1.00 0.00 ? 3 G A "H5''" 1
1034
+ ATOM 58 H "H4'" . G A 1 2 ? 10.926 -0.936 9.408 1.00 0.00 ? 3 G A "H4'" 1
1035
+ ATOM 59 H "H3'" . G A 1 2 ? 9.914 -2.104 6.789 1.00 0.00 ? 3 G A "H3'" 1
1036
+ ATOM 60 H "H2'" . G A 1 2 ? 7.686 -1.290 7.183 1.00 0.00 ? 3 G A "H2'" 1
1037
+ ATOM 61 H "HO2'" . G A 1 2 ? 8.203 -1.888 9.619 1.00 0.00 ? 3 G A "HO2'" 1
1038
+ ATOM 62 H "H1'" . G A 1 2 ? 8.301 1.178 8.224 1.00 0.00 ? 3 G A "H1'" 1
1039
+ ATOM 63 H H8 . G A 1 2 ? 10.276 -0.483 5.299 1.00 0.00 ? 3 G A H8 1
1040
+ ATOM 64 H H1 . G A 1 2 ? 5.966 3.934 3.583 1.00 0.00 ? 3 G A H1 1
1041
+ ATOM 65 H H21 . G A 1 2 ? 4.832 4.613 5.357 1.00 0.00 ? 3 G A H21 1
1042
+ ATOM 66 H H22 . G A 1 2 ? 5.291 4.133 6.975 1.00 0.00 ? 3 G A H22 1
1043
+ ATOM 67 P P . U A 1 3 ? 8.968 -4.299 8.125 1.00 0.00 ? 4 U A P 1
1044
+ ATOM 68 O OP1 . U A 1 3 ? 8.646 -5.170 9.277 1.00 0.00 ? 4 U A OP1 1
1045
+ ATOM 69 O OP2 . U A 1 3 ? 9.923 -4.761 7.094 1.00 0.00 ? 4 U A OP2 1
1046
+ ATOM 70 O "O5'" . U A 1 3 ? 7.587 -3.901 7.387 1.00 0.00 ? 4 U A "O5'" 1
1047
+ ATOM 71 C "C5'" . U A 1 3 ? 6.409 -3.581 8.144 1.00 0.00 ? 4 U A "C5'" 1
1048
+ ATOM 72 C "C4'" . U A 1 3 ? 5.409 -2.768 7.323 1.00 0.00 ? 4 U A "C4'" 1
1049
+ ATOM 73 O "O4'" . U A 1 3 ? 6.079 -1.631 6.761 1.00 0.00 ? 4 U A "O4'" 1
1050
+ ATOM 74 C "C3'" . U A 1 3 ? 4.832 -3.476 6.108 1.00 0.00 ? 4 U A "C3'" 1
1051
+ ATOM 75 O "O3'" . U A 1 3 ? 3.644 -4.163 6.528 1.00 0.00 ? 4 U A "O3'" 1
1052
+ ATOM 76 C "C2'" . U A 1 3 ? 4.404 -2.304 5.237 1.00 0.00 ? 4 U A "C2'" 1
1053
+ ATOM 77 O "O2'" . U A 1 3 ? 3.191 -1.724 5.727 1.00 0.00 ? 4 U A "O2'" 1
1054
+ ATOM 78 C "C1'" . U A 1 3 ? 5.576 -1.347 5.442 1.00 0.00 ? 4 U A "C1'" 1
1055
+ ATOM 79 N N1 . U A 1 3 ? 6.659 -1.569 4.461 1.00 0.00 ? 4 U A N1 1
1056
+ ATOM 80 C C2 . U A 1 3 ? 6.624 -0.829 3.296 1.00 0.00 ? 4 U A C2 1
1057
+ ATOM 81 O O2 . U A 1 3 ? 5.752 0.001 3.067 1.00 0.00 ? 4 U A O2 1
1058
+ ATOM 82 N N3 . U A 1 3 ? 7.635 -1.071 2.395 1.00 0.00 ? 4 U A N3 1
1059
+ ATOM 83 C C4 . U A 1 3 ? 8.664 -1.974 2.551 1.00 0.00 ? 4 U A C4 1
1060
+ ATOM 84 O O4 . U A 1 3 ? 9.502 -2.103 1.665 1.00 0.00 ? 4 U A O4 1
1061
+ ATOM 85 C C5 . U A 1 3 ? 8.639 -2.710 3.793 1.00 0.00 ? 4 U A C5 1
1062
+ ATOM 86 C C6 . U A 1 3 ? 7.651 -2.487 4.694 1.00 0.00 ? 4 U A C6 1
1063
+ ATOM 87 H "H5'" . U A 1 3 ? 6.698 -3.003 9.022 1.00 0.00 ? 4 U A "H5'" 1
1064
+ ATOM 88 H "H5''" . U A 1 3 ? 5.933 -4.507 8.469 1.00 0.00 ? 4 U A "H5''" 1
1065
+ ATOM 89 H "H4'" . U A 1 3 ? 4.610 -2.422 7.979 1.00 0.00 ? 4 U A "H4'" 1
1066
+ ATOM 90 H "H3'" . U A 1 3 ? 5.542 -4.143 5.616 1.00 0.00 ? 4 U A "H3'" 1
1067
+ ATOM 91 H "H2'" . U A 1 3 ? 4.310 -2.597 4.190 1.00 0.00 ? 4 U A "H2'" 1
1068
+ ATOM 92 H "HO2'" . U A 1 3 ? 3.278 -1.642 6.679 1.00 0.00 ? 4 U A "HO2'" 1
1069
+ ATOM 93 H "H1'" . U A 1 3 ? 5.248 -0.308 5.394 1.00 0.00 ? 4 U A "H1'" 1
1070
+ ATOM 94 H H3 . U A 1 3 ? 7.624 -0.535 1.542 1.00 0.00 ? 4 U A H3 1
1071
+ ATOM 95 H H5 . U A 1 3 ? 9.415 -3.445 4.006 1.00 0.00 ? 4 U A H5 1
1072
+ ATOM 96 H H6 . U A 1 3 ? 7.647 -3.050 5.628 1.00 0.00 ? 4 U A H6 1
1073
+ ATOM 97 P P . A A 1 4 ? 2.782 -5.037 5.480 1.00 0.00 ? 5 A A P 1
1074
+ ATOM 98 O OP1 . A A 1 4 ? 1.758 -5.791 6.239 1.00 0.00 ? 5 A A OP1 1
1075
+ ATOM 99 O OP2 . A A 1 4 ? 3.725 -5.760 4.596 1.00 0.00 ? 5 A A OP2 1
1076
+ ATOM 100 O "O5'" . A A 1 4 ? 2.033 -3.907 4.607 1.00 0.00 ? 5 A A "O5'" 1
1077
+ ATOM 101 C "C5'" . A A 1 4 ? 1.461 -4.220 3.331 1.00 0.00 ? 5 A A "C5'" 1
1078
+ ATOM 102 C "C4'" . A A 1 4 ? 0.906 -2.975 2.642 1.00 0.00 ? 5 A A "C4'" 1
1079
+ ATOM 103 O "O4'" . A A 1 4 ? 1.977 -2.078 2.345 1.00 0.00 ? 5 A A "O4'" 1
1080
+ ATOM 104 C "C3'" . A A 1 4 ? 0.273 -3.225 1.288 1.00 0.00 ? 5 A A "C3'" 1
1081
+ ATOM 105 O "O3'" . A A 1 4 ? -1.116 -3.504 1.517 1.00 0.00 ? 5 A A "O3'" 1
1082
+ ATOM 106 C "C2'" . A A 1 4 ? 0.354 -1.856 0.621 1.00 0.00 ? 5 A A "C2'" 1
1083
+ ATOM 107 O "O2'" . A A 1 4 ? -0.757 -1.039 1.007 1.00 0.00 ? 5 A A "O2'" 1
1084
+ ATOM 108 C "C1'" . A A 1 4 ? 1.659 -1.292 1.181 1.00 0.00 ? 5 A A "C1'" 1
1085
+ ATOM 109 N N9 . A A 1 4 ? 2.766 -1.392 0.215 1.00 0.00 ? 5 A A N9 1
1086
+ ATOM 110 C C8 . A A 1 4 ? 3.930 -2.096 0.327 1.00 0.00 ? 5 A A C8 1
1087
+ ATOM 111 N N7 . A A 1 4 ? 4.730 -1.955 -0.696 1.00 0.00 ? 5 A A N7 1
1088
+ ATOM 112 C C5 . A A 1 4 ? 4.034 -1.097 -1.543 1.00 0.00 ? 5 A A C5 1
1089
+ ATOM 113 C C6 . A A 1 4 ? 4.330 -0.550 -2.802 1.00 0.00 ? 5 A A C6 1
1090
+ ATOM 114 N N6 . A A 1 4 ? 5.462 -0.782 -3.459 1.00 0.00 ? 5 A A N6 1
1091
+ ATOM 115 N N1 . A A 1 4 ? 3.421 0.260 -3.362 1.00 0.00 ? 5 A A N1 1
1092
+ ATOM 116 C C2 . A A 1 4 ? 2.291 0.509 -2.710 1.00 0.00 ? 5 A A C2 1
1093
+ ATOM 117 N N3 . A A 1 4 ? 1.895 0.062 -1.529 1.00 0.00 ? 5 A A N3 1
1094
+ ATOM 118 C C4 . A A 1 4 ? 2.833 -0.749 -0.996 1.00 0.00 ? 5 A A C4 1
1095
+ ATOM 119 H "H5'" . A A 1 4 ? 0.654 -4.939 3.468 1.00 0.00 ? 5 A A "H5'" 1
1096
+ ATOM 120 H "H5''" . A A 1 4 ? 2.229 -4.664 2.696 1.00 0.00 ? 5 A A "H5''" 1
1097
+ ATOM 121 H "H4'" . A A 1 4 ? 0.202 -2.481 3.312 1.00 0.00 ? 5 A A "H4'" 1
1098
+ ATOM 122 H "H3'" . A A 1 4 ? 0.765 -4.013 0.718 1.00 0.00 ? 5 A A "H3'" 1
1099
+ ATOM 123 H "H2'" . A A 1 4 ? 0.419 -1.949 -0.460 1.00 0.00 ? 5 A A "H2'" 1
1100
+ ATOM 124 H "HO2'" . A A 1 4 ? -1.504 -1.627 1.145 1.00 0.00 ? 5 A A "HO2'" 1
1101
+ ATOM 125 H "H1'" . A A 1 4 ? 1.534 -0.254 1.473 1.00 0.00 ? 5 A A "H1'" 1
1102
+ ATOM 126 H H8 . A A 1 4 ? 4.156 -2.728 1.181 1.00 0.00 ? 5 A A H8 1
1103
+ ATOM 127 H H61 . A A 1 4 ? 5.605 -0.381 -4.374 1.00 0.00 ? 5 A A H61 1
1104
+ ATOM 128 H H62 . A A 1 4 ? 6.179 -1.358 -3.042 1.00 0.00 ? 5 A A H62 1
1105
+ ATOM 129 H H2 . A A 1 4 ? 1.593 1.173 -3.219 1.00 0.00 ? 5 A A H2 1
1106
+ ATOM 130 P P . A A 1 5 ? -1.847 -4.735 0.776 1.00 0.00 ? 6 A A P 1
1107
+ ATOM 131 O OP1 . A A 1 5 ? -3.301 -4.635 1.036 1.00 0.00 ? 6 A A OP1 1
1108
+ ATOM 132 O OP2 . A A 1 5 ? -1.121 -5.980 1.115 1.00 0.00 ? 6 A A OP2 1
1109
+ ATOM 133 O "O5'" . A A 1 5 ? -1.591 -4.414 -0.781 1.00 0.00 ? 6 A A "O5'" 1
1110
+ ATOM 134 C "C5'" . A A 1 5 ? -2.169 -3.260 -1.407 1.00 0.00 ? 6 A A "C5'" 1
1111
+ ATOM 135 C "C4'" . A A 1 5 ? -1.536 -2.996 -2.768 1.00 0.00 ? 6 A A "C4'" 1
1112
+ ATOM 136 O "O4'" . A A 1 5 ? -0.146 -2.773 -2.592 1.00 0.00 ? 6 A A "O4'" 1
1113
+ ATOM 137 C "C3'" . A A 1 5 ? -1.614 -4.174 -3.737 1.00 0.00 ? 6 A A "C3'" 1
1114
+ ATOM 138 O "O3'" . A A 1 5 ? -2.553 -3.804 -4.759 1.00 0.00 ? 6 A A "O3'" 1
1115
+ ATOM 139 C "C2'" . A A 1 5 ? -0.223 -4.262 -4.393 1.00 0.00 ? 6 A A "C2'" 1
1116
+ ATOM 140 O "O2'" . A A 1 5 ? -0.317 -4.133 -5.816 1.00 0.00 ? 6 A A "O2'" 1
1117
+ ATOM 141 C "C1'" . A A 1 5 ? 0.528 -3.077 -3.804 1.00 0.00 ? 6 A A "C1'" 1
1118
+ ATOM 142 N N9 . A A 1 5 ? 1.916 -3.426 -3.478 1.00 0.00 ? 6 A A N9 1
1119
+ ATOM 143 C C8 . A A 1 5 ? 2.383 -4.054 -2.359 1.00 0.00 ? 6 A A C8 1
1120
+ ATOM 144 N N7 . A A 1 5 ? 3.671 -4.263 -2.374 1.00 0.00 ? 6 A A N7 1
1121
+ ATOM 145 C C5 . A A 1 5 ? 4.077 -3.731 -3.595 1.00 0.00 ? 6 A A C5 1
1122
+ ATOM 146 C C6 . A A 1 5 ? 5.328 -3.631 -4.224 1.00 0.00 ? 6 A A C6 1
1123
+ ATOM 147 N N6 . A A 1 5 ? 6.460 -4.082 -3.690 1.00 0.00 ? 6 A A N6 1
1124
+ ATOM 148 N N1 . A A 1 5 ? 5.379 -3.047 -5.429 1.00 0.00 ? 6 A A N1 1
1125
+ ATOM 149 C C2 . A A 1 5 ? 4.256 -2.591 -5.972 1.00 0.00 ? 6 A A C2 1
1126
+ ATOM 150 N N3 . A A 1 5 ? 3.024 -2.621 -5.488 1.00 0.00 ? 6 A A N3 1
1127
+ ATOM 151 C C4 . A A 1 5 ? 3.012 -3.216 -4.276 1.00 0.00 ? 6 A A C4 1
1128
+ ATOM 152 H "H5'" . A A 1 5 ? -2.016 -2.390 -0.767 1.00 0.00 ? 6 A A "H5'" 1
1129
+ ATOM 153 H "H5''" . A A 1 5 ? -3.239 -3.424 -1.537 1.00 0.00 ? 6 A A "H5''" 1
1130
+ ATOM 154 H "H4'" . A A 1 5 ? -1.989 -2.106 -3.207 1.00 0.00 ? 6 A A "H4'" 1
1131
+ ATOM 155 H "H3'" . A A 1 5 ? -1.901 -5.102 -3.244 1.00 0.00 ? 6 A A "H3'" 1
1132
+ ATOM 156 H "H2'" . A A 1 5 ? 0.269 -5.193 -4.118 1.00 0.00 ? 6 A A "H2'" 1
1133
+ ATOM 157 H "HO2'" . A A 1 5 ? -0.722 -4.941 -6.151 1.00 0.00 ? 6 A A "HO2'" 1
1134
+ ATOM 158 H "H1'" . A A 1 5 ? 0.502 -2.221 -4.471 1.00 0.00 ? 6 A A "H1'" 1
1135
+ ATOM 159 H H8 . A A 1 5 ? 1.733 -4.354 -1.537 1.00 0.00 ? 6 A A H8 1
1136
+ ATOM 160 H H61 . A A 1 5 ? 7.327 -3.996 -4.200 1.00 0.00 ? 6 A A H61 1
1137
+ ATOM 161 H H62 . A A 1 5 ? 6.450 -4.510 -2.775 1.00 0.00 ? 6 A A H62 1
1138
+ ATOM 162 H H2 . A A 1 5 ? 4.363 -2.127 -6.953 1.00 0.00 ? 6 A A H2 1
1139
+ ATOM 163 P P . U A 1 6 ? -3.341 -4.927 -5.604 1.00 0.00 ? 7 U A P 1
1140
+ ATOM 164 O OP1 . U A 1 6 ? -4.230 -4.242 -6.569 1.00 0.00 ? 7 U A OP1 1
1141
+ ATOM 165 O OP2 . U A 1 6 ? -3.902 -5.913 -4.653 1.00 0.00 ? 7 U A OP2 1
1142
+ ATOM 166 O "O5'" . U A 1 6 ? -2.153 -5.635 -6.430 1.00 0.00 ? 7 U A "O5'" 1
1143
+ ATOM 167 C "C5'" . U A 1 6 ? -1.955 -7.051 -6.375 1.00 0.00 ? 7 U A "C5'" 1
1144
+ ATOM 168 C "C4'" . U A 1 6 ? -0.533 -7.427 -6.774 1.00 0.00 ? 7 U A "C4'" 1
1145
+ ATOM 169 O "O4'" . U A 1 6 ? 0.380 -6.923 -5.781 1.00 0.00 ? 7 U A "O4'" 1
1146
+ ATOM 170 C "C3'" . U A 1 6 ? -0.260 -8.927 -6.832 1.00 0.00 ? 7 U A "C3'" 1
1147
+ ATOM 171 O "O3'" . U A 1 6 ? 0.827 -9.123 -7.747 1.00 0.00 ? 7 U A "O3'" 1
1148
+ ATOM 172 C "C2'" . U A 1 6 ? 0.254 -9.235 -5.436 1.00 0.00 ? 7 U A "C2'" 1
1149
+ ATOM 173 O "O2'" . U A 1 6 ? 1.059 -10.419 -5.436 1.00 0.00 ? 7 U A "O2'" 1
1150
+ ATOM 174 C "C1'" . U A 1 6 ? 1.103 -7.999 -5.170 1.00 0.00 ? 7 U A "C1'" 1
1151
+ ATOM 175 N N1 . U A 1 6 ? 1.252 -7.721 -3.726 1.00 0.00 ? 7 U A N1 1
1152
+ ATOM 176 C C2 . U A 1 6 ? 2.488 -7.958 -3.152 1.00 0.00 ? 7 U A C2 1
1153
+ ATOM 177 O O2 . U A 1 6 ? 3.455 -8.350 -3.797 1.00 0.00 ? 7 U A O2 1
1154
+ ATOM 178 N N3 . U A 1 6 ? 2.578 -7.727 -1.798 1.00 0.00 ? 7 U A N3 1
1155
+ ATOM 179 C C4 . U A 1 6 ? 1.561 -7.290 -0.977 1.00 0.00 ? 7 U A C4 1
1156
+ ATOM 180 O O4 . U A 1 6 ? 1.771 -7.123 0.219 1.00 0.00 ? 7 U A O4 1
1157
+ ATOM 181 C C5 . U A 1 6 ? 0.301 -7.063 -1.646 1.00 0.00 ? 7 U A C5 1
1158
+ ATOM 182 C C6 . U A 1 6 ? 0.192 -7.278 -2.979 1.00 0.00 ? 7 U A C6 1
1159
+ ATOM 183 H "H5'" . U A 1 6 ? -2.655 -7.536 -7.056 1.00 0.00 ? 7 U A "H5'" 1
1160
+ ATOM 184 H "H5''" . U A 1 6 ? -2.145 -7.401 -5.360 1.00 0.00 ? 7 U A "H5''" 1
1161
+ ATOM 185 H "H4'" . U A 1 6 ? -0.302 -6.961 -7.732 1.00 0.00 ? 7 U A "H4'" 1
1162
+ ATOM 186 H "H3'" . U A 1 6 ? -1.136 -9.515 -7.113 1.00 0.00 ? 7 U A "H3'" 1
1163
+ ATOM 187 H "H2'" . U A 1 6 ? -0.568 -9.311 -4.724 1.00 0.00 ? 7 U A "H2'" 1
1164
+ ATOM 188 H "HO2'" . U A 1 6 ? 1.807 -10.254 -6.014 1.00 0.00 ? 7 U A "HO2'" 1
1165
+ ATOM 189 H "H1'" . U A 1 6 ? 2.087 -8.088 -5.633 1.00 0.00 ? 7 U A "H1'" 1
1166
+ ATOM 190 H H3 . U A 1 6 ? 3.473 -7.893 -1.366 1.00 0.00 ? 7 U A H3 1
1167
+ ATOM 191 H H5 . U A 1 6 ? -0.567 -6.740 -1.075 1.00 0.00 ? 7 U A H5 1
1168
+ ATOM 192 H H6 . U A 1 6 ? -0.756 -7.066 -3.475 1.00 0.00 ? 7 U A H6 1
1169
+ ATOM 193 P P . A A 1 7 ? 0.807 -10.343 -8.802 1.00 0.00 ? 8 A A P 1
1170
+ ATOM 194 O OP1 . A A 1 7 ? 0.398 -11.571 -8.085 1.00 0.00 ? 8 A A OP1 1
1171
+ ATOM 195 O OP2 . A A 1 7 ? 2.081 -10.320 -9.556 1.00 0.00 ? 8 A A OP2 1
1172
+ ATOM 196 O "O5'" . A A 1 7 ? -0.381 -9.925 -9.809 1.00 0.00 ? 8 A A "O5'" 1
1173
+ ATOM 197 C "C5'" . A A 1 7 ? -0.811 -10.816 -10.850 1.00 0.00 ? 8 A A "C5'" 1
1174
+ ATOM 198 C "C4'" . A A 1 7 ? -1.135 -10.068 -12.142 1.00 0.00 ? 8 A A "C4'" 1
1175
+ ATOM 199 O "O4'" . A A 1 7 ? -2.186 -9.114 -11.893 1.00 0.00 ? 8 A A "O4'" 1
1176
+ ATOM 200 C "C3'" . A A 1 7 ? 0.013 -9.231 -12.704 1.00 0.00 ? 8 A A "C3'" 1
1177
+ ATOM 201 O "O3'" . A A 1 7 ? -0.263 -9.041 -14.103 1.00 0.00 ? 8 A A "O3'" 1
1178
+ ATOM 202 C "C2'" . A A 1 7 ? -0.192 -7.900 -11.995 1.00 0.00 ? 8 A A "C2'" 1
1179
+ ATOM 203 O "O2'" . A A 1 7 ? 0.477 -6.836 -12.679 1.00 0.00 ? 8 A A "O2'" 1
1180
+ ATOM 204 C "C1'" . A A 1 7 ? -1.706 -7.777 -12.111 1.00 0.00 ? 8 A A "C1'" 1
1181
+ ATOM 205 N N9 . A A 1 7 ? -2.293 -6.887 -11.092 1.00 0.00 ? 8 A A N9 1
1182
+ ATOM 206 C C8 . A A 1 7 ? -2.327 -7.047 -9.731 1.00 0.00 ? 8 A A C8 1
1183
+ ATOM 207 N N7 . A A 1 7 ? -2.940 -6.079 -9.106 1.00 0.00 ? 8 A A N7 1
1184
+ ATOM 208 C C5 . A A 1 7 ? -3.335 -5.223 -10.128 1.00 0.00 ? 8 A A C5 1
1185
+ ATOM 209 C C6 . A A 1 7 ? -4.033 -4.003 -10.133 1.00 0.00 ? 8 A A C6 1
1186
+ ATOM 210 N N6 . A A 1 7 ? -4.477 -3.402 -9.034 1.00 0.00 ? 8 A A N6 1
1187
+ ATOM 211 N N1 . A A 1 7 ? -4.259 -3.417 -11.317 1.00 0.00 ? 8 A A N1 1
1188
+ ATOM 212 C C2 . A A 1 7 ? -3.819 -4.006 -12.422 1.00 0.00 ? 8 A A C2 1
1189
+ ATOM 213 N N3 . A A 1 7 ? -3.155 -5.144 -12.553 1.00 0.00 ? 8 A A N3 1
1190
+ ATOM 214 C C4 . A A 1 7 ? -2.946 -5.706 -11.343 1.00 0.00 ? 8 A A C4 1
1191
+ ATOM 215 H "H5'" . A A 1 7 ? -1.702 -11.348 -10.516 1.00 0.00 ? 8 A A "H5'" 1
1192
+ ATOM 216 H "H5''" . A A 1 7 ? -0.019 -11.540 -11.049 1.00 0.00 ? 8 A A "H5''" 1
1193
+ ATOM 217 H "H4'" . A A 1 7 ? -1.481 -10.786 -12.886 1.00 0.00 ? 8 A A "H4'" 1
1194
+ ATOM 218 H "H3'" . A A 1 7 ? 0.996 -9.671 -12.536 1.00 0.00 ? 8 A A "H3'" 1
1195
+ ATOM 219 H "H2'" . A A 1 7 ? 0.119 -7.961 -10.952 1.00 0.00 ? 8 A A "H2'" 1
1196
+ ATOM 220 H "HO2'" . A A 1 7 ? -0.129 -6.491 -13.343 1.00 0.00 ? 8 A A "HO2'" 1
1197
+ ATOM 221 H "H1'" . A A 1 7 ? -1.999 -7.441 -13.106 1.00 0.00 ? 8 A A "H1'" 1
1198
+ ATOM 222 H H8 . A A 1 7 ? -1.885 -7.903 -9.220 1.00 0.00 ? 8 A A H8 1
1199
+ ATOM 223 H H61 . A A 1 7 ? -4.969 -2.524 -9.104 1.00 0.00 ? 8 A A H61 1
1200
+ ATOM 224 H H62 . A A 1 7 ? -4.321 -3.824 -8.127 1.00 0.00 ? 8 A A H62 1
1201
+ ATOM 225 H H2 . A A 1 7 ? -4.034 -3.479 -13.352 1.00 0.00 ? 8 A A H2 1
1202
+ ATOM 226 P P . A A 1 8 ? 0.840 -8.421 -15.106 1.00 0.00 ? 9 A A P 1
1203
+ ATOM 227 O OP1 . A A 1 8 ? 0.772 -9.166 -16.384 1.00 0.00 ? 9 A A OP1 1
1204
+ ATOM 228 O OP2 . A A 1 8 ? 2.129 -8.319 -14.382 1.00 0.00 ? 9 A A OP2 1
1205
+ ATOM 229 O "O5'" . A A 1 8 ? 0.274 -6.932 -15.363 1.00 0.00 ? 9 A A "O5'" 1
1206
+ ATOM 230 C "C5'" . A A 1 8 ? 1.142 -5.793 -15.321 1.00 0.00 ? 9 A A "C5'" 1
1207
+ ATOM 231 C "C4'" . A A 1 8 ? 0.377 -4.519 -14.978 1.00 0.00 ? 9 A A "C4'" 1
1208
+ ATOM 232 O "O4'" . A A 1 8 ? -0.197 -4.655 -13.686 1.00 0.00 ? 9 A A "O4'" 1
1209
+ ATOM 233 C "C3'" . A A 1 8 ? 1.242 -3.262 -14.869 1.00 0.00 ? 9 A A "C3'" 1
1210
+ ATOM 234 O "O3'" . A A 1 8 ? 0.961 -2.468 -16.038 1.00 0.00 ? 9 A A "O3'" 1
1211
+ ATOM 235 C "C2'" . A A 1 8 ? 0.700 -2.512 -13.641 1.00 0.00 ? 9 A A "C2'" 1
1212
+ ATOM 236 O "O2'" . A A 1 8 ? 0.236 -1.208 -13.986 1.00 0.00 ? 9 A A "O2'" 1
1213
+ ATOM 237 C "C1'" . A A 1 8 ? -0.469 -3.357 -13.183 1.00 0.00 ? 9 A A "C1'" 1
1214
+ ATOM 238 N N9 . A A 1 8 ? -0.522 -3.404 -11.721 1.00 0.00 ? 9 A A N9 1
1215
+ ATOM 239 C C8 . A A 1 8 ? 0.099 -4.283 -10.887 1.00 0.00 ? 9 A A C8 1
1216
+ ATOM 240 N N7 . A A 1 8 ? -0.104 -4.036 -9.620 1.00 0.00 ? 9 A A N7 1
1217
+ ATOM 241 C C5 . A A 1 8 ? -0.915 -2.902 -9.632 1.00 0.00 ? 9 A A C5 1
1218
+ ATOM 242 C C6 . A A 1 8 ? -1.490 -2.121 -8.614 1.00 0.00 ? 9 A A C6 1
1219
+ ATOM 243 N N6 . A A 1 8 ? -1.340 -2.369 -7.316 1.00 0.00 ? 9 A A N6 1
1220
+ ATOM 244 N N1 . A A 1 8 ? -2.235 -1.064 -8.981 1.00 0.00 ? 9 A A N1 1
1221
+ ATOM 245 C C2 . A A 1 8 ? -2.395 -0.805 -10.274 1.00 0.00 ? 9 A A C2 1
1222
+ ATOM 246 N N3 . A A 1 8 ? -1.916 -1.460 -11.318 1.00 0.00 ? 9 A A N3 1
1223
+ ATOM 247 C C4 . A A 1 8 ? -1.174 -2.511 -10.913 1.00 0.00 ? 9 A A C4 1
1224
+ ATOM 248 H "H5'" . A A 1 8 ? 1.618 -5.672 -16.294 1.00 0.00 ? 9 A A "H5'" 1
1225
+ ATOM 249 H "H5''" . A A 1 8 ? 1.912 -5.959 -14.566 1.00 0.00 ? 9 A A "H5''" 1
1226
+ ATOM 250 H "H4'" . A A 1 8 ? -0.419 -4.374 -15.709 1.00 0.00 ? 9 A A "H4'" 1
1227
+ ATOM 251 H "H3'" . A A 1 8 ? 2.302 -3.492 -14.777 1.00 0.00 ? 9 A A "H3'" 1
1228
+ ATOM 252 H "H2'" . A A 1 8 ? 1.458 -2.468 -12.857 1.00 0.00 ? 9 A A "H2'" 1
1229
+ ATOM 253 H "HO2'" . A A 1 8 ? 1.012 -0.657 -14.130 1.00 0.00 ? 9 A A "HO2'" 1
1230
+ ATOM 254 H "H1'" . A A 1 8 ? -1.414 -2.989 -13.584 1.00 0.00 ? 9 A A "H1'" 1
1231
+ ATOM 255 H H8 . A A 1 8 ? 0.751 -5.076 -11.255 1.00 0.00 ? 9 A A H8 1
1232
+ ATOM 256 H H61 . A A 1 8 ? -1.790 -1.778 -6.634 1.00 0.00 ? 9 A A H61 1
1233
+ ATOM 257 H H62 . A A 1 8 ? -0.774 -3.152 -7.011 1.00 0.00 ? 9 A A H62 1
1234
+ ATOM 258 H H2 . A A 1 8 ? -2.987 0.082 -10.509 1.00 0.00 ? 9 A A H2 1
1235
+ ATOM 259 P P . G A 1 9 ? 1.674 -1.039 -16.314 1.00 0.00 ? 10 G A P 1
1236
+ ATOM 260 O OP1 . G A 1 9 ? 2.591 -1.200 -17.464 1.00 0.00 ? 10 G A OP1 1
1237
+ ATOM 261 O OP2 . G A 1 9 ? 2.194 -0.503 -15.033 1.00 0.00 ? 10 G A OP2 1
1238
+ ATOM 262 O "O5'" . G A 1 9 ? 0.408 -0.121 -16.801 1.00 0.00 ? 10 G A "O5'" 1
1239
+ ATOM 263 C "C5'" . G A 1 9 ? -0.733 0.167 -15.941 1.00 0.00 ? 10 G A "C5'" 1
1240
+ ATOM 264 C "C4'" . G A 1 9 ? -0.554 1.496 -15.198 1.00 0.00 ? 10 G A "C4'" 1
1241
+ ATOM 265 O "O4'" . G A 1 9 ? -0.909 1.322 -13.811 1.00 0.00 ? 10 G A "O4'" 1
1242
+ ATOM 266 C "C3'" . G A 1 9 ? 0.887 1.890 -15.134 1.00 0.00 ? 10 G A "C3'" 1
1243
+ ATOM 267 O "O3'" . G A 1 9 ? 1.249 2.694 -16.261 1.00 0.00 ? 10 G A "O3'" 1
1244
+ ATOM 268 C "C2'" . G A 1 9 ? 0.869 2.853 -13.951 1.00 0.00 ? 10 G A "C2'" 1
1245
+ ATOM 269 O "O2'" . G A 1 9 ? 0.333 4.122 -14.340 1.00 0.00 ? 10 G A "O2'" 1
1246
+ ATOM 270 C "C1'" . G A 1 9 ? -0.072 2.158 -12.985 1.00 0.00 ? 10 G A "C1'" 1
1247
+ ATOM 271 N N9 . G A 1 9 ? 0.689 1.355 -12.010 1.00 0.00 ? 10 G A N9 1
1248
+ ATOM 272 C C8 . G A 1 9 ? 0.669 0.012 -11.808 1.00 0.00 ? 10 G A C8 1
1249
+ ATOM 273 N N7 . G A 1 9 ? 1.502 -0.401 -10.890 1.00 0.00 ? 10 G A N7 1
1250
+ ATOM 274 C C5 . G A 1 9 ? 2.120 0.767 -10.453 1.00 0.00 ? 10 G A C5 1
1251
+ ATOM 275 C C6 . G A 1 9 ? 3.126 0.965 -9.464 1.00 0.00 ? 10 G A C6 1
1252
+ ATOM 276 O O6 . G A 1 9 ? 3.700 0.124 -8.772 1.00 0.00 ? 10 G A O6 1
1253
+ ATOM 277 N N1 . G A 1 9 ? 3.462 2.301 -9.341 1.00 0.00 ? 10 G A N1 1
1254
+ ATOM 278 C C2 . G A 1 9 ? 2.909 3.322 -10.069 1.00 0.00 ? 10 G A C2 1
1255
+ ATOM 279 N N2 . G A 1 9 ? 3.358 4.545 -9.828 1.00 0.00 ? 10 G A N2 1
1256
+ ATOM 280 N N3 . G A 1 9 ? 1.970 3.153 -10.996 1.00 0.00 ? 10 G A N3 1
1257
+ ATOM 281 C C4 . G A 1 9 ? 1.624 1.851 -11.134 1.00 0.00 ? 10 G A C4 1
1258
+ ATOM 282 H "H5'" . G A 1 9 ? -0.834 -0.635 -15.210 1.00 0.00 ? 10 G A "H5'" 1
1259
+ ATOM 283 H "H5''" . G A 1 9 ? -1.638 0.214 -16.546 1.00 0.00 ? 10 G A "H5''" 1
1260
+ ATOM 284 H "H4'" . G A 1 9 ? -1.170 2.273 -15.652 1.00 0.00 ? 10 G A "H4'" 1
1261
+ ATOM 285 H "H3'" . G A 1 9 ? 1.566 1.051 -14.988 1.00 0.00 ? 10 G A "H3'" 1
1262
+ ATOM 286 H "H2'" . G A 1 9 ? 1.857 2.952 -13.513 1.00 0.00 ? 10 G A "H2'" 1
1263
+ ATOM 287 H "HO2'" . G A 1 9 ? 0.268 4.119 -15.299 1.00 0.00 ? 10 G A "HO2'" 1
1264
+ ATOM 288 H "H1'" . G A 1 9 ? -0.696 2.875 -12.452 1.00 0.00 ? 10 G A "H1'" 1
1265
+ ATOM 289 H H8 . G A 1 9 ? 0.029 -0.651 -12.374 1.00 0.00 ? 10 G A H8 1
1266
+ ATOM 290 H H1 . G A 1 9 ? 4.173 2.535 -8.664 1.00 0.00 ? 10 G A H1 1
1267
+ ATOM 291 H H21 . G A 1 9 ? 4.078 4.693 -9.137 1.00 0.00 ? 10 G A H21 1
1268
+ ATOM 292 H H22 . G A 1 9 ? 2.980 5.328 -10.340 1.00 0.00 ? 10 G A H22 1
1269
+ ATOM 293 P P . C A 1 10 ? 2.813 2.991 -16.556 1.00 0.00 ? 11 C A P 1
1270
+ ATOM 294 O OP1 . C A 1 10 ? 2.916 3.680 -17.862 1.00 0.00 ? 11 C A OP1 1
1271
+ ATOM 295 O OP2 . C A 1 10 ? 3.579 1.747 -16.315 1.00 0.00 ? 11 C A OP2 1
1272
+ ATOM 296 O "O5'" . C A 1 10 ? 3.196 4.048 -15.394 1.00 0.00 ? 11 C A "O5'" 1
1273
+ ATOM 297 C "C5'" . C A 1 10 ? 2.493 5.321 -15.231 1.00 0.00 ? 11 C A "C5'" 1
1274
+ ATOM 298 C "C4'" . C A 1 10 ? 3.404 6.303 -14.506 1.00 0.00 ? 11 C A "C4'" 1
1275
+ ATOM 299 O "O4'" . C A 1 10 ? 3.497 5.886 -13.138 1.00 0.00 ? 11 C A "O4'" 1
1276
+ ATOM 300 C "C3'" . C A 1 10 ? 4.777 6.156 -15.098 1.00 0.00 ? 11 C A "C3'" 1
1277
+ ATOM 301 O "O3'" . C A 1 10 ? 5.111 7.277 -15.940 1.00 0.00 ? 11 C A "O3'" 1
1278
+ ATOM 302 C "C2'" . C A 1 10 ? 5.690 6.309 -13.876 1.00 0.00 ? 11 C A "C2'" 1
1279
+ ATOM 303 O "O2'" . C A 1 10 ? 5.958 7.691 -13.619 1.00 0.00 ? 11 C A "O2'" 1
1280
+ ATOM 304 C "C1'" . C A 1 10 ? 4.856 5.721 -12.741 1.00 0.00 ? 11 C A "C1'" 1
1281
+ ATOM 305 N N1 . C A 1 10 ? 5.111 4.277 -12.514 1.00 0.00 ? 11 C A N1 1
1282
+ ATOM 306 C C2 . C A 1 10 ? 5.923 3.923 -11.451 1.00 0.00 ? 11 C A C2 1
1283
+ ATOM 307 O O2 . C A 1 10 ? 6.424 4.787 -10.739 1.00 0.00 ? 11 C A O2 1
1284
+ ATOM 308 N N3 . C A 1 10 ? 6.156 2.603 -11.215 1.00 0.00 ? 11 C A N3 1
1285
+ ATOM 309 C C4 . C A 1 10 ? 5.612 1.664 -11.995 1.00 0.00 ? 11 C A C4 1
1286
+ ATOM 310 N N4 . C A 1 10 ? 5.883 0.394 -11.716 1.00 0.00 ? 11 C A N4 1
1287
+ ATOM 311 C C5 . C A 1 10 ? 4.773 2.019 -13.093 1.00 0.00 ? 11 C A C5 1
1288
+ ATOM 312 C C6 . C A 1 10 ? 4.551 3.326 -13.315 1.00 0.00 ? 11 C A C6 1
1289
+ ATOM 313 H "H5'" . C A 1 10 ? 1.583 5.170 -14.650 1.00 0.00 ? 11 C A "H5'" 1
1290
+ ATOM 314 H "H5''" . C A 1 10 ? 2.236 5.721 -16.212 1.00 0.00 ? 11 C A "H5''" 1
1291
+ ATOM 315 H "H4'" . C A 1 10 ? 3.021 7.321 -14.580 1.00 0.00 ? 11 C A "H4'" 1
1292
+ ATOM 316 H "H3'" . C A 1 10 ? 4.922 5.207 -15.616 1.00 0.00 ? 11 C A "H3'" 1
1293
+ ATOM 317 H "H2'" . C A 1 10 ? 6.615 5.753 -14.006 1.00 0.00 ? 11 C A "H2'" 1
1294
+ ATOM 318 H "HO2'" . C A 1 10 ? 5.931 8.147 -14.463 1.00 0.00 ? 11 C A "HO2'" 1
1295
+ ATOM 319 H "H1'" . C A 1 10 ? 5.027 6.266 -11.812 1.00 0.00 ? 11 C A "H1'" 1
1296
+ ATOM 320 H H41 . C A 1 10 ? 6.540 0.167 -10.980 1.00 0.00 ? 11 C A H41 1
1297
+ ATOM 321 H H42 . C A 1 10 ? 5.435 -0.345 -12.238 1.00 0.00 ? 11 C A H42 1
1298
+ ATOM 322 H H5 . C A 1 10 ? 4.323 1.262 -13.736 1.00 0.00 ? 11 C A H5 1
1299
+ ATOM 323 H H6 . C A 1 10 ? 3.916 3.629 -14.146 1.00 0.00 ? 11 C A H6 1
1300
+ ATOM 324 P P . U A 1 11 ? 6.415 7.228 -16.894 1.00 0.00 ? 12 U A P 1
1301
+ ATOM 325 O OP1 . U A 1 11 ? 6.307 8.322 -17.884 1.00 0.00 ? 12 U A OP1 1
1302
+ ATOM 326 O OP2 . U A 1 11 ? 6.605 5.832 -17.351 1.00 0.00 ? 12 U A OP2 1
1303
+ ATOM 327 O "O5'" . U A 1 11 ? 7.616 7.583 -15.866 1.00 0.00 ? 12 U A "O5'" 1
1304
+ ATOM 328 C "C5'" . U A 1 11 ? 7.982 8.937 -15.479 1.00 0.00 ? 12 U A "C5'" 1
1305
+ ATOM 329 C "C4'" . U A 1 11 ? 9.468 8.947 -15.119 1.00 0.00 ? 12 U A "C4'" 1
1306
+ ATOM 330 O "O4'" . U A 1 11 ? 9.637 8.147 -13.940 1.00 0.00 ? 12 U A "O4'" 1
1307
+ ATOM 331 C "C3'" . U A 1 11 ? 10.215 8.237 -16.219 1.00 0.00 ? 12 U A "C3'" 1
1308
+ ATOM 332 O "O3'" . U A 1 11 ? 10.960 9.141 -17.051 1.00 0.00 ? 12 U A "O3'" 1
1309
+ ATOM 333 C "C2'" . U A 1 11 ? 11.313 7.481 -15.463 1.00 0.00 ? 12 U A "C2'" 1
1310
+ ATOM 334 O "O2'" . U A 1 11 ? 12.487 8.289 -15.331 1.00 0.00 ? 12 U A "O2'" 1
1311
+ ATOM 335 C "C1'" . U A 1 11 ? 10.713 7.220 -14.091 1.00 0.00 ? 12 U A "C1'" 1
1312
+ ATOM 336 N N1 . U A 1 11 ? 10.214 5.835 -13.955 1.00 0.00 ? 12 U A N1 1
1313
+ ATOM 337 C C2 . U A 1 11 ? 10.942 4.974 -13.156 1.00 0.00 ? 12 U A C2 1
1314
+ ATOM 338 O O2 . U A 1 11 ? 11.958 5.320 -12.565 1.00 0.00 ? 12 U A O2 1
1315
+ ATOM 339 N N3 . U A 1 11 ? 10.466 3.688 -13.063 1.00 0.00 ? 12 U A N3 1
1316
+ ATOM 340 C C4 . U A 1 11 ? 9.341 3.191 -13.686 1.00 0.00 ? 12 U A C4 1
1317
+ ATOM 341 O O4 . U A 1 11 ? 9.007 2.025 -13.510 1.00 0.00 ? 12 U A O4 1
1318
+ ATOM 342 C C5 . U A 1 11 ? 8.634 4.145 -14.504 1.00 0.00 ? 12 U A C5 1
1319
+ ATOM 343 C C6 . U A 1 11 ? 9.087 5.418 -14.609 1.00 0.00 ? 12 U A C6 1
1320
+ ATOM 344 H "H5'" . U A 1 11 ? 7.392 9.249 -14.617 1.00 0.00 ? 12 U A "H5'" 1
1321
+ ATOM 345 H "H5''" . U A 1 11 ? 7.803 9.617 -16.312 1.00 0.00 ? 12 U A "H5''" 1
1322
+ ATOM 346 H "H4'" . U A 1 11 ? 9.826 9.964 -14.956 1.00 0.00 ? 12 U A "H4'" 1
1323
+ ATOM 347 H "H3'" . U A 1 11 ? 9.584 7.581 -16.817 1.00 0.00 ? 12 U A "H3'" 1
1324
+ ATOM 348 H "H2'" . U A 1 11 ? 11.540 6.542 -15.960 1.00 0.00 ? 12 U A "H2'" 1
1325
+ ATOM 349 H "HO2'" . U A 1 11 ? 13.243 7.693 -15.319 1.00 0.00 ? 12 U A "HO2'" 1
1326
+ ATOM 350 H "H1'" . U A 1 11 ? 11.452 7.408 -13.310 1.00 0.00 ? 12 U A "H1'" 1
1327
+ ATOM 351 H H3 . U A 1 11 ? 10.995 3.048 -12.488 1.00 0.00 ? 12 U A H3 1
1328
+ ATOM 352 H H5 . U A 1 11 ? 7.741 3.837 -15.048 1.00 0.00 ? 12 U A H5 1
1329
+ ATOM 353 H H6 . U A 1 11 ? 8.544 6.124 -15.230 1.00 0.00 ? 12 U A H6 1
1330
+ ATOM 354 P P . C A 1 12 ? 11.612 8.636 -18.441 1.00 0.00 ? 13 C A P 1
1331
+ ATOM 355 O OP1 . C A 1 12 ? 12.288 9.785 -19.082 1.00 0.00 ? 13 C A OP1 1
1332
+ ATOM 356 O OP2 . C A 1 12 ? 10.578 7.881 -19.185 1.00 0.00 ? 13 C A OP2 1
1333
+ ATOM 357 O "O5'" . C A 1 12 ? 12.743 7.584 -17.959 1.00 0.00 ? 13 C A "O5'" 1
1334
+ ATOM 358 C "C5'" . C A 1 12 ? 14.021 8.040 -17.491 1.00 0.00 ? 13 C A "C5'" 1
1335
+ ATOM 359 C "C4'" . C A 1 12 ? 14.822 6.922 -16.821 1.00 0.00 ? 13 C A "C4'" 1
1336
+ ATOM 360 O "O4'" . C A 1 12 ? 14.039 6.312 -15.786 1.00 0.00 ? 13 C A "O4'" 1
1337
+ ATOM 361 C "C3'" . C A 1 12 ? 15.187 5.753 -17.720 1.00 0.00 ? 13 C A "C3'" 1
1338
+ ATOM 362 O "O3'" . C A 1 12 ? 16.330 6.058 -18.525 1.00 0.00 ? 13 C A "O3'" 1
1339
+ ATOM 363 C "C2'" . C A 1 12 ? 15.522 4.699 -16.673 1.00 0.00 ? 13 C A "C2'" 1
1340
+ ATOM 364 O "O2'" . C A 1 12 ? 16.806 4.957 -16.091 1.00 0.00 ? 13 C A "O2'" 1
1341
+ ATOM 365 C "C1'" . C A 1 12 ? 14.408 4.927 -15.646 1.00 0.00 ? 13 C A "C1'" 1
1342
+ ATOM 366 N N1 . C A 1 12 ? 13.219 4.082 -15.899 1.00 0.00 ? 13 C A N1 1
1343
+ ATOM 367 C C2 . C A 1 12 ? 13.081 2.922 -15.149 1.00 0.00 ? 13 C A C2 1
1344
+ ATOM 368 O O2 . C A 1 12 ? 13.929 2.613 -14.317 1.00 0.00 ? 13 C A O2 1
1345
+ ATOM 369 N N3 . C A 1 12 ? 11.994 2.132 -15.361 1.00 0.00 ? 13 C A N3 1
1346
+ ATOM 370 C C4 . C A 1 12 ? 11.076 2.467 -16.274 1.00 0.00 ? 13 C A C4 1
1347
+ ATOM 371 N N4 . C A 1 12 ? 10.034 1.657 -16.428 1.00 0.00 ? 13 C A N4 1
1348
+ ATOM 372 C C5 . C A 1 12 ? 11.210 3.658 -17.052 1.00 0.00 ? 13 C A C5 1
1349
+ ATOM 373 C C6 . C A 1 12 ? 12.289 4.432 -16.835 1.00 0.00 ? 13 C A C6 1
1350
+ ATOM 374 H "H5'" . C A 1 12 ? 13.868 8.844 -16.770 1.00 0.00 ? 13 C A "H5'" 1
1351
+ ATOM 375 H "H5''" . C A 1 12 ? 14.591 8.427 -18.336 1.00 0.00 ? 13 C A "H5''" 1
1352
+ ATOM 376 H "H4'" . C A 1 12 ? 15.720 7.352 -16.376 1.00 0.00 ? 13 C A "H4'" 1
1353
+ ATOM 377 H "H3'" . C A 1 12 ? 14.339 5.445 -18.332 1.00 0.00 ? 13 C A "H3'" 1
1354
+ ATOM 378 H "HO3'" . C A 1 12 ? 17.088 6.105 -17.934 1.00 0.00 ? 13 C A "HO3'" 1
1355
+ ATOM 379 H "H2'" . C A 1 12 ? 15.472 3.694 -17.092 1.00 0.00 ? 13 C A "H2'" 1
1356
+ ATOM 380 H "HO2'" . C A 1 12 ? 16.922 4.335 -15.368 1.00 0.00 ? 13 C A "HO2'" 1
1357
+ ATOM 381 H "H1'" . C A 1 12 ? 14.768 4.750 -14.631 1.00 0.00 ? 13 C A "H1'" 1
1358
+ ATOM 382 H H41 . C A 1 12 ? 9.981 0.795 -15.900 1.00 0.00 ? 13 C A H41 1
1359
+ ATOM 383 H H42 . C A 1 12 ? 9.296 1.901 -17.071 1.00 0.00 ? 13 C A H42 1
1360
+ ATOM 384 H H5 . C A 1 12 ? 10.467 3.939 -17.798 1.00 0.00 ? 13 C A H5 1
1361
+ ATOM 385 H H6 . C A 1 12 ? 12.421 5.347 -17.413 1.00 0.00 ? 13 C A H6 1
1362
+ ATOM 386 O "O5'" . G B 2 1 ? 10.302 -7.356 -12.257 1.00 0.00 ? 18 G B "O5'" 1
1363
+ ATOM 387 C "C5'" . G B 2 1 ? 11.465 -8.047 -11.787 1.00 0.00 ? 18 G B "C5'" 1
1364
+ ATOM 388 C "C4'" . G B 2 1 ? 12.684 -7.128 -11.729 1.00 0.00 ? 18 G B "C4'" 1
1365
+ ATOM 389 O "O4'" . G B 2 1 ? 12.929 -6.580 -13.031 1.00 0.00 ? 18 G B "O4'" 1
1366
+ ATOM 390 C "C3'" . G B 2 1 ? 12.518 -5.901 -10.850 1.00 0.00 ? 18 G B "C3'" 1
1367
+ ATOM 391 O "O3'" . G B 2 1 ? 12.943 -6.255 -9.525 1.00 0.00 ? 18 G B "O3'" 1
1368
+ ATOM 392 C "C2'" . G B 2 1 ? 13.553 -4.954 -11.433 1.00 0.00 ? 18 G B "C2'" 1
1369
+ ATOM 393 O "O2'" . G B 2 1 ? 14.872 -5.296 -10.992 1.00 0.00 ? 18 G B "O2'" 1
1370
+ ATOM 394 C "C1'" . G B 2 1 ? 13.392 -5.219 -12.926 1.00 0.00 ? 18 G B "C1'" 1
1371
+ ATOM 395 N N9 . G B 2 1 ? 12.389 -4.326 -13.533 1.00 0.00 ? 18 G B N9 1
1372
+ ATOM 396 C C8 . G B 2 1 ? 11.115 -4.624 -13.931 1.00 0.00 ? 18 G B C8 1
1373
+ ATOM 397 N N7 . G B 2 1 ? 10.463 -3.605 -14.415 1.00 0.00 ? 18 G B N7 1
1374
+ ATOM 398 C C5 . G B 2 1 ? 11.372 -2.555 -14.330 1.00 0.00 ? 18 G B C5 1
1375
+ ATOM 399 C C6 . G B 2 1 ? 11.233 -1.191 -14.706 1.00 0.00 ? 18 G B C6 1
1376
+ ATOM 400 O O6 . G B 2 1 ? 10.258 -0.627 -15.193 1.00 0.00 ? 18 G B O6 1
1377
+ ATOM 401 N N1 . G B 2 1 ? 12.386 -0.474 -14.452 1.00 0.00 ? 18 G B N1 1
1378
+ ATOM 402 C C2 . G B 2 1 ? 13.532 -0.991 -13.905 1.00 0.00 ? 18 G B C2 1
1379
+ ATOM 403 N N2 . G B 2 1 ? 14.541 -0.152 -13.719 1.00 0.00 ? 18 G B N2 1
1380
+ ATOM 404 N N3 . G B 2 1 ? 13.680 -2.265 -13.549 1.00 0.00 ? 18 G B N3 1
1381
+ ATOM 405 C C4 . G B 2 1 ? 12.559 -2.988 -13.790 1.00 0.00 ? 18 G B C4 1
1382
+ ATOM 406 H "H5'" . G B 2 1 ? 11.680 -8.879 -12.458 1.00 0.00 ? 18 G B "H5'" 1
1383
+ ATOM 407 H "H5''" . G B 2 1 ? 11.267 -8.438 -10.788 1.00 0.00 ? 18 G B "H5''" 1
1384
+ ATOM 408 H "H4'" . G B 2 1 ? 13.552 -7.709 -11.417 1.00 0.00 ? 18 G B "H4'" 1
1385
+ ATOM 409 H "H3'" . G B 2 1 ? 11.507 -5.493 -10.862 1.00 0.00 ? 18 G B "H3'" 1
1386
+ ATOM 410 H "H2'" . G B 2 1 ? 13.313 -3.921 -11.200 1.00 0.00 ? 18 G B "H2'" 1
1387
+ ATOM 411 H "HO2'" . G B 2 1 ? 14.956 -4.994 -10.084 1.00 0.00 ? 18 G B "HO2'" 1
1388
+ ATOM 412 H "H1'" . G B 2 1 ? 14.342 -5.114 -13.450 1.00 0.00 ? 18 G B "H1'" 1
1389
+ ATOM 413 H H8 . G B 2 1 ? 10.684 -5.618 -13.836 1.00 0.00 ? 18 G B H8 1
1390
+ ATOM 414 H H1 . G B 2 1 ? 12.376 0.505 -14.689 1.00 0.00 ? 18 G B H1 1
1391
+ ATOM 415 H H21 . G B 2 1 ? 14.446 0.819 -13.980 1.00 0.00 ? 18 G B H21 1
1392
+ ATOM 416 H H22 . G B 2 1 ? 15.402 -0.486 -13.314 1.00 0.00 ? 18 G B H22 1
1393
+ ATOM 417 H "HO5'" . G B 2 1 ? 10.254 -6.523 -11.782 1.00 0.00 ? 18 G B "HO5'" 1
1394
+ ATOM 418 P P . A B 2 2 ? 12.690 -5.256 -8.284 1.00 0.00 ? 19 A B P 1
1395
+ ATOM 419 O OP1 . A B 2 2 ? 12.904 -6.013 -7.030 1.00 0.00 ? 19 A B OP1 1
1396
+ ATOM 420 O OP2 . A B 2 2 ? 11.409 -4.551 -8.509 1.00 0.00 ? 19 A B OP2 1
1397
+ ATOM 421 O "O5'" . A B 2 2 ? 13.893 -4.182 -8.442 1.00 0.00 ? 19 A B "O5'" 1
1398
+ ATOM 422 C "C5'" . A B 2 2 ? 15.213 -4.342 -7.857 1.00 0.00 ? 19 A B "C5'" 1
1399
+ ATOM 423 C "C4'" . A B 2 2 ? 15.782 -2.951 -7.577 1.00 0.00 ? 19 A B "C4'" 1
1400
+ ATOM 424 O "O4'" . A B 2 2 ? 15.968 -2.280 -8.841 1.00 0.00 ? 19 A B "O4'" 1
1401
+ ATOM 425 C "C3'" . A B 2 2 ? 14.725 -2.151 -6.858 1.00 0.00 ? 19 A B "C3'" 1
1402
+ ATOM 426 O "O3'" . A B 2 2 ? 14.960 -2.004 -5.445 1.00 0.00 ? 19 A B "O3'" 1
1403
+ ATOM 427 C "C2'" . A B 2 2 ? 14.979 -0.747 -7.393 1.00 0.00 ? 19 A B "C2'" 1
1404
+ ATOM 428 O "O2'" . A B 2 2 ? 16.053 -0.119 -6.683 1.00 0.00 ? 19 A B "O2'" 1
1405
+ ATOM 429 C "C1'" . A B 2 2 ? 15.371 -0.974 -8.818 1.00 0.00 ? 19 A B "C1'" 1
1406
+ ATOM 430 N N9 . A B 2 2 ? 14.169 -0.944 -9.652 1.00 0.00 ? 19 A B N9 1
1407
+ ATOM 431 C C8 . A B 2 2 ? 13.309 -1.959 -9.882 1.00 0.00 ? 19 A B C8 1
1408
+ ATOM 432 N N7 . A B 2 2 ? 12.283 -1.633 -10.615 1.00 0.00 ? 19 A B N7 1
1409
+ ATOM 433 C C5 . A B 2 2 ? 12.484 -0.284 -10.873 1.00 0.00 ? 19 A B C5 1
1410
+ ATOM 434 C C6 . A B 2 2 ? 11.747 0.664 -11.593 1.00 0.00 ? 19 A B C6 1
1411
+ ATOM 435 N N6 . A B 2 2 ? 10.613 0.381 -12.223 1.00 0.00 ? 19 A B N6 1
1412
+ ATOM 436 N N1 . A B 2 2 ? 12.220 1.918 -11.647 1.00 0.00 ? 19 A B N1 1
1413
+ ATOM 437 C C2 . A B 2 2 ? 13.359 2.202 -11.019 1.00 0.00 ? 19 A B C2 1
1414
+ ATOM 438 N N3 . A B 2 2 ? 14.148 1.400 -10.319 1.00 0.00 ? 19 A B N3 1
1415
+ ATOM 439 C C4 . A B 2 2 ? 13.636 0.152 -10.287 1.00 0.00 ? 19 A B C4 1
1416
+ ATOM 440 H "H5'" . A B 2 2 ? 15.865 -4.874 -8.549 1.00 0.00 ? 19 A B "H5'" 1
1417
+ ATOM 441 H "H5''" . A B 2 2 ? 15.135 -4.900 -6.923 1.00 0.00 ? 19 A B "H5''" 1
1418
+ ATOM 442 H "H4'" . A B 2 2 ? 16.718 -3.010 -7.021 1.00 0.00 ? 19 A B "H4'" 1
1419
+ ATOM 443 H "H3'" . A B 2 2 ? 13.712 -2.499 -7.063 1.00 0.00 ? 19 A B "H3'" 1
1420
+ ATOM 444 H "H2'" . A B 2 2 ? 14.070 -0.168 -7.358 1.00 0.00 ? 19 A B "H2'" 1
1421
+ ATOM 445 H "HO2'" . A B 2 2 ? 16.134 -0.568 -5.838 1.00 0.00 ? 19 A B "HO2'" 1
1422
+ ATOM 446 H "H1'" . A B 2 2 ? 16.087 -0.228 -9.163 1.00 0.00 ? 19 A B "H1'" 1
1423
+ ATOM 447 H H8 . A B 2 2 ? 13.425 -2.918 -9.404 1.00 0.00 ? 19 A B H8 1
1424
+ ATOM 448 H H61 . A B 2 2 ? 10.149 1.088 -12.771 1.00 0.00 ? 19 A B H61 1
1425
+ ATOM 449 H H62 . A B 2 2 ? 10.214 -0.545 -12.152 1.00 0.00 ? 19 A B H62 1
1426
+ ATOM 450 H H2 . A B 2 2 ? 13.665 3.249 -11.052 1.00 0.00 ? 19 A B H2 1
1427
+ ATOM 451 P P . G B 2 3 ? 13.891 -1.199 -4.520 1.00 0.00 ? 20 G B P 1
1428
+ ATOM 452 O OP1 . G B 2 3 ? 14.509 -0.961 -3.197 1.00 0.00 ? 20 G B OP1 1
1429
+ ATOM 453 O OP2 . G B 2 3 ? 12.584 -1.889 -4.614 1.00 0.00 ? 20 G B OP2 1
1430
+ ATOM 454 O "O5'" . G B 2 3 ? 13.769 0.223 -5.292 1.00 0.00 ? 20 G B "O5'" 1
1431
+ ATOM 455 C "C5'" . G B 2 3 ? 14.703 1.324 -5.117 1.00 0.00 ? 20 G B "C5'" 1
1432
+ ATOM 456 C "C4'" . G B 2 3 ? 14.044 2.617 -5.595 1.00 0.00 ? 20 G B "C4'" 1
1433
+ ATOM 457 O "O4'" . G B 2 3 ? 13.807 2.501 -7.007 1.00 0.00 ? 20 G B "O4'" 1
1434
+ ATOM 458 C "C3'" . G B 2 3 ? 12.675 2.728 -4.990 1.00 0.00 ? 20 G B "C3'" 1
1435
+ ATOM 459 O "O3'" . G B 2 3 ? 12.667 3.551 -3.814 1.00 0.00 ? 20 G B "O3'" 1
1436
+ ATOM 460 C "C2'" . G B 2 3 ? 11.955 3.583 -6.038 1.00 0.00 ? 20 G B "C2'" 1
1437
+ ATOM 461 O "O2'" . G B 2 3 ? 12.276 4.970 -5.870 1.00 0.00 ? 20 G B "O2'" 1
1438
+ ATOM 462 C "C1'" . G B 2 3 ? 12.535 3.063 -7.348 1.00 0.00 ? 20 G B "C1'" 1
1439
+ ATOM 463 N N9 . G B 2 3 ? 11.654 2.047 -7.947 1.00 0.00 ? 20 G B N9 1
1440
+ ATOM 464 C C8 . G B 2 3 ? 11.557 0.705 -7.682 1.00 0.00 ? 20 G B C8 1
1441
+ ATOM 465 N N7 . G B 2 3 ? 10.598 0.111 -8.339 1.00 0.00 ? 20 G B N7 1
1442
+ ATOM 466 C C5 . G B 2 3 ? 10.024 1.135 -9.088 1.00 0.00 ? 20 G B C5 1
1443
+ ATOM 467 C C6 . G B 2 3 ? 8.932 1.108 -10.000 1.00 0.00 ? 20 G B C6 1
1444
+ ATOM 468 O O6 . G B 2 3 ? 8.230 0.156 -10.329 1.00 0.00 ? 20 G B O6 1
1445
+ ATOM 469 N N1 . G B 2 3 ? 8.685 2.360 -10.532 1.00 0.00 ? 20 G B N1 1
1446
+ ATOM 470 C C2 . G B 2 3 ? 9.390 3.497 -10.232 1.00 0.00 ? 20 G B C2 1
1447
+ ATOM 471 N N2 . G B 2 3 ? 9.018 4.619 -10.830 1.00 0.00 ? 20 G B N2 1
1448
+ ATOM 472 N N3 . G B 2 3 ? 10.409 3.536 -9.387 1.00 0.00 ? 20 G B N3 1
1449
+ ATOM 473 C C4 . G B 2 3 ? 10.669 2.321 -8.853 1.00 0.00 ? 20 G B C4 1
1450
+ ATOM 474 H "H5'" . G B 2 3 ? 15.606 1.138 -5.698 1.00 0.00 ? 20 G B "H5'" 1
1451
+ ATOM 475 H "H5''" . G B 2 3 ? 14.961 1.417 -4.062 1.00 0.00 ? 20 G B "H5''" 1
1452
+ ATOM 476 H "H4'" . G B 2 3 ? 14.670 3.482 -5.374 1.00 0.00 ? 20 G B "H4'" 1
1453
+ ATOM 477 H "H3'" . G B 2 3 ? 12.191 1.764 -4.822 1.00 0.00 ? 20 G B "H3'" 1
1454
+ ATOM 478 H "H2'" . G B 2 3 ? 10.877 3.423 -6.000 1.00 0.00 ? 20 G B "H2'" 1
1455
+ ATOM 479 H "HO2'" . G B 2 3 ? 11.684 5.468 -6.439 1.00 0.00 ? 20 G B "HO2'" 1
1456
+ ATOM 480 H "H1'" . G B 2 3 ? 12.686 3.871 -8.071 1.00 0.00 ? 20 G B "H1'" 1
1457
+ ATOM 481 H H8 . G B 2 3 ? 12.200 0.189 -6.972 1.00 0.00 ? 20 G B H8 1
1458
+ ATOM 482 H H1 . G B 2 3 ? 7.926 2.435 -11.188 1.00 0.00 ? 20 G B H1 1
1459
+ ATOM 483 H H21 . G B 2 3 ? 8.196 4.634 -11.413 1.00 0.00 ? 20 G B H21 1
1460
+ ATOM 484 H H22 . G B 2 3 ? 9.557 5.462 -10.694 1.00 0.00 ? 20 G B H22 1
1461
+ ATOM 485 P P . U B 2 4 ? 11.443 3.481 -2.763 1.00 0.00 ? 21 U B P 1
1462
+ ATOM 486 O OP1 . U B 2 4 ? 11.654 4.528 -1.738 1.00 0.00 ? 21 U B OP1 1
1463
+ ATOM 487 O OP2 . U B 2 4 ? 11.271 2.069 -2.352 1.00 0.00 ? 21 U B OP2 1
1464
+ ATOM 488 O "O5'" . U B 2 4 ? 10.166 3.901 -3.660 1.00 0.00 ? 21 U B "O5'" 1
1465
+ ATOM 489 C "C5'" . U B 2 4 ? 9.993 5.253 -4.110 1.00 0.00 ? 21 U B "C5'" 1
1466
+ ATOM 490 C "C4'" . U B 2 4 ? 8.866 5.374 -5.137 1.00 0.00 ? 21 U B "C4'" 1
1467
+ ATOM 491 O "O4'" . U B 2 4 ? 9.061 4.414 -6.175 1.00 0.00 ? 21 U B "O4'" 1
1468
+ ATOM 492 C "C3'" . U B 2 4 ? 7.480 5.031 -4.629 1.00 0.00 ? 21 U B "C3'" 1
1469
+ ATOM 493 O "O3'" . U B 2 4 ? 6.915 6.220 -4.052 1.00 0.00 ? 21 U B "O3'" 1
1470
+ ATOM 494 C "C2'" . U B 2 4 ? 6.720 4.749 -5.922 1.00 0.00 ? 21 U B "C2'" 1
1471
+ ATOM 495 O "O2'" . U B 2 4 ? 6.239 5.968 -6.497 1.00 0.00 ? 21 U B "O2'" 1
1472
+ ATOM 496 C "C1'" . U B 2 4 ? 7.803 4.129 -6.816 1.00 0.00 ? 21 U B "C1'" 1
1473
+ ATOM 497 N N1 . U B 2 4 ? 7.645 2.664 -6.937 1.00 0.00 ? 21 U B N1 1
1474
+ ATOM 498 C C2 . U B 2 4 ? 6.577 2.197 -7.682 1.00 0.00 ? 21 U B C2 1
1475
+ ATOM 499 O O2 . U B 2 4 ? 5.787 2.946 -8.252 1.00 0.00 ? 21 U B O2 1
1476
+ ATOM 500 N N3 . U B 2 4 ? 6.442 0.828 -7.754 1.00 0.00 ? 21 U B N3 1
1477
+ ATOM 501 C C4 . U B 2 4 ? 7.268 -0.101 -7.158 1.00 0.00 ? 21 U B C4 1
1478
+ ATOM 502 O O4 . U B 2 4 ? 7.037 -1.297 -7.294 1.00 0.00 ? 21 U B O4 1
1479
+ ATOM 503 C C5 . U B 2 4 ? 8.362 0.460 -6.399 1.00 0.00 ? 21 U B C5 1
1480
+ ATOM 504 C C6 . U B 2 4 ? 8.511 1.803 -6.314 1.00 0.00 ? 21 U B C6 1
1481
+ ATOM 505 H "H5'" . U B 2 4 ? 10.922 5.597 -4.564 1.00 0.00 ? 21 U B "H5'" 1
1482
+ ATOM 506 H "H5''" . U B 2 4 ? 9.761 5.886 -3.254 1.00 0.00 ? 21 U B "H5''" 1
1483
+ ATOM 507 H "H4'" . U B 2 4 ? 8.881 6.376 -5.567 1.00 0.00 ? 21 U B "H4'" 1
1484
+ ATOM 508 H "H3'" . U B 2 4 ? 7.472 4.192 -3.933 1.00 0.00 ? 21 U B "H3'" 1
1485
+ ATOM 509 H "H2'" . U B 2 4 ? 5.903 4.047 -5.752 1.00 0.00 ? 21 U B "H2'" 1
1486
+ ATOM 510 H "HO2'" . U B 2 4 ? 6.494 6.680 -5.905 1.00 0.00 ? 21 U B "HO2'" 1
1487
+ ATOM 511 H "H1'" . U B 2 4 ? 7.793 4.579 -7.810 1.00 0.00 ? 21 U B "H1'" 1
1488
+ ATOM 512 H H3 . U B 2 4 ? 5.660 0.471 -8.287 1.00 0.00 ? 21 U B H3 1
1489
+ ATOM 513 H H5 . U B 2 4 ? 9.071 -0.196 -5.897 1.00 0.00 ? 21 U B H5 1
1490
+ ATOM 514 H H6 . U B 2 4 ? 9.341 2.209 -5.734 1.00 0.00 ? 21 U B H6 1
1491
+ ATOM 515 P P . A B 2 5 ? 5.521 6.161 -3.240 1.00 0.00 ? 22 A B P 1
1492
+ ATOM 516 O OP1 . A B 2 5 ? 5.054 7.549 -3.032 1.00 0.00 ? 22 A B OP1 1
1493
+ ATOM 517 O OP2 . A B 2 5 ? 5.707 5.269 -2.075 1.00 0.00 ? 22 A B OP2 1
1494
+ ATOM 518 O "O5'" . A B 2 5 ? 4.519 5.427 -4.305 1.00 0.00 ? 22 A B "O5'" 1
1495
+ ATOM 519 C "C5'" . A B 2 5 ? 3.445 6.125 -4.999 1.00 0.00 ? 22 A B "C5'" 1
1496
+ ATOM 520 C "C4'" . A B 2 5 ? 2.140 6.077 -4.198 1.00 0.00 ? 22 A B "C4'" 1
1497
+ ATOM 521 O "O4'" . A B 2 5 ? 1.800 4.698 -3.982 1.00 0.00 ? 22 A B "O4'" 1
1498
+ ATOM 522 C "C3'" . A B 2 5 ? 2.333 6.654 -2.819 1.00 0.00 ? 22 A B "C3'" 1
1499
+ ATOM 523 O "O3'" . A B 2 5 ? 1.820 7.992 -2.732 1.00 0.00 ? 22 A B "O3'" 1
1500
+ ATOM 524 C "C2'" . A B 2 5 ? 1.358 5.833 -1.982 1.00 0.00 ? 22 A B "C2'" 1
1501
+ ATOM 525 O "O2'" . A B 2 5 ? 0.026 6.340 -2.119 1.00 0.00 ? 22 A B "O2'" 1
1502
+ ATOM 526 C "C1'" . A B 2 5 ? 1.463 4.464 -2.609 1.00 0.00 ? 22 A B "C1'" 1
1503
+ ATOM 527 N N9 . A B 2 5 ? 2.534 3.678 -1.983 1.00 0.00 ? 22 A B N9 1
1504
+ ATOM 528 C C8 . A B 2 5 ? 3.749 3.346 -2.502 1.00 0.00 ? 22 A B C8 1
1505
+ ATOM 529 N N7 . A B 2 5 ? 4.495 2.650 -1.691 1.00 0.00 ? 22 A B N7 1
1506
+ ATOM 530 C C5 . A B 2 5 ? 3.708 2.524 -0.550 1.00 0.00 ? 22 A B C5 1
1507
+ ATOM 531 C C6 . A B 2 5 ? 3.919 1.898 0.687 1.00 0.00 ? 22 A B C6 1
1508
+ ATOM 532 N N6 . A B 2 5 ? 5.037 1.254 1.000 1.00 0.00 ? 22 A B N6 1
1509
+ ATOM 533 N N1 . A B 2 5 ? 2.937 1.963 1.598 1.00 0.00 ? 22 A B N1 1
1510
+ ATOM 534 C C2 . A B 2 5 ? 1.819 2.612 1.295 1.00 0.00 ? 22 A B C2 1
1511
+ ATOM 535 N N3 . A B 2 5 ? 1.498 3.237 0.172 1.00 0.00 ? 22 A B N3 1
1512
+ ATOM 536 C C4 . A B 2 5 ? 2.509 3.149 -0.718 1.00 0.00 ? 22 A B C4 1
1513
+ ATOM 537 H "H5'" . A B 2 5 ? 3.285 5.657 -5.970 1.00 0.00 ? 22 A B "H5'" 1
1514
+ ATOM 538 H "H5''" . A B 2 5 ? 3.734 7.166 -5.149 1.00 0.00 ? 22 A B "H5''" 1
1515
+ ATOM 539 H "H4'" . A B 2 5 ? 1.342 6.583 -4.742 1.00 0.00 ? 22 A B "H4'" 1
1516
+ ATOM 540 H "H3'" . A B 2 5 ? 3.351 6.580 -2.460 1.00 0.00 ? 22 A B "H3'" 1
1517
+ ATOM 541 H "H2'" . A B 2 5 ? 1.665 5.803 -0.939 1.00 0.00 ? 22 A B "H2'" 1
1518
+ ATOM 542 H "HO2'" . A B 2 5 ? 0.088 7.179 -2.583 1.00 0.00 ? 22 A B "HO2'" 1
1519
+ ATOM 543 H "H1'" . A B 2 5 ? 0.520 3.921 -2.547 1.00 0.00 ? 22 A B "H1'" 1
1520
+ ATOM 544 H H8 . A B 2 5 ? 4.079 3.684 -3.481 1.00 0.00 ? 22 A B H8 1
1521
+ ATOM 545 H H61 . A B 2 5 ? 5.123 0.800 1.902 1.00 0.00 ? 22 A B H61 1
1522
+ ATOM 546 H H62 . A B 2 5 ? 5.800 1.219 0.342 1.00 0.00 ? 22 A B H62 1
1523
+ ATOM 547 H H2 . A B 2 5 ? 1.068 2.653 2.087 1.00 0.00 ? 22 A B H2 1
1524
+ ATOM 548 P P . C B 2 6 ? 2.077 8.891 -1.414 1.00 0.00 ? 23 C B P 1
1525
+ ATOM 549 O OP1 . C B 2 6 ? 1.196 10.077 -1.484 1.00 0.00 ? 23 C B OP1 1
1526
+ ATOM 550 O OP2 . C B 2 6 ? 3.538 9.064 -1.243 1.00 0.00 ? 23 C B OP2 1
1527
+ ATOM 551 O "O5'" . C B 2 6 ? 1.549 7.933 -0.216 1.00 0.00 ? 23 C B "O5'" 1
1528
+ ATOM 552 C "C5'" . C B 2 6 ? 0.154 7.800 0.174 1.00 0.00 ? 23 C B "C5'" 1
1529
+ ATOM 553 C "C4'" . C B 2 6 ? 0.112 7.455 1.662 1.00 0.00 ? 23 C B "C4'" 1
1530
+ ATOM 554 O "O4'" . C B 2 6 ? 0.610 6.123 1.837 1.00 0.00 ? 23 C B "O4'" 1
1531
+ ATOM 555 C "C3'" . C B 2 6 ? 1.089 8.366 2.351 1.00 0.00 ? 23 C B "C3'" 1
1532
+ ATOM 556 O "O3'" . C B 2 6 ? 0.411 9.393 3.088 1.00 0.00 ? 23 C B "O3'" 1
1533
+ ATOM 557 C "C2'" . C B 2 6 ? 1.703 7.478 3.437 1.00 0.00 ? 23 C B "C2'" 1
1534
+ ATOM 558 O "O2'" . C B 2 6 ? 0.930 7.544 4.639 1.00 0.00 ? 23 C B "O2'" 1
1535
+ ATOM 559 C "C1'" . C B 2 6 ? 1.634 6.077 2.837 1.00 0.00 ? 23 C B "C1'" 1
1536
+ ATOM 560 N N1 . C B 2 6 ? 2.909 5.673 2.213 1.00 0.00 ? 23 C B N1 1
1537
+ ATOM 561 C C2 . C B 2 6 ? 3.665 4.701 2.851 1.00 0.00 ? 23 C B C2 1
1538
+ ATOM 562 O O2 . C B 2 6 ? 3.303 4.237 3.929 1.00 0.00 ? 23 C B O2 1
1539
+ ATOM 563 N N3 . C B 2 6 ? 4.826 4.294 2.271 1.00 0.00 ? 23 C B N3 1
1540
+ ATOM 564 C C4 . C B 2 6 ? 5.228 4.821 1.112 1.00 0.00 ? 23 C B C4 1
1541
+ ATOM 565 N N4 . C B 2 6 ? 6.361 4.368 0.588 1.00 0.00 ? 23 C B N4 1
1542
+ ATOM 566 C C5 . C B 2 6 ? 4.458 5.826 0.455 1.00 0.00 ? 23 C B C5 1
1543
+ ATOM 567 C C6 . C B 2 6 ? 3.313 6.220 1.038 1.00 0.00 ? 23 C B C6 1
1544
+ ATOM 568 H "H5'" . C B 2 6 ? -0.322 7.007 -0.403 1.00 0.00 ? 23 C B "H5'" 1
1545
+ ATOM 569 H "H5''" . C B 2 6 ? -0.366 8.743 0.002 1.00 0.00 ? 23 C B "H5''" 1
1546
+ ATOM 570 H "H4'" . C B 2 6 ? -0.900 7.549 2.057 1.00 0.00 ? 23 C B "H4'" 1
1547
+ ATOM 571 H "H3'" . C B 2 6 ? 1.837 8.782 1.676 1.00 0.00 ? 23 C B "H3'" 1
1548
+ ATOM 572 H "H2'" . C B 2 6 ? 2.738 7.761 3.620 1.00 0.00 ? 23 C B "H2'" 1
1549
+ ATOM 573 H "HO2'" . C B 2 6 ? 0.384 8.333 4.581 1.00 0.00 ? 23 C B "HO2'" 1
1550
+ ATOM 574 H "H1'" . C B 2 6 ? 1.359 5.341 3.594 1.00 0.00 ? 23 C B "H1'" 1
1551
+ ATOM 575 H H41 . C B 2 6 ? 6.905 3.673 1.083 1.00 0.00 ? 23 C B H41 1
1552
+ ATOM 576 H H42 . C B 2 6 ? 6.679 4.715 -0.306 1.00 0.00 ? 23 C B H42 1
1553
+ ATOM 577 H H5 . C B 2 6 ? 4.782 6.267 -0.485 1.00 0.00 ? 23 C B H5 1
1554
+ ATOM 578 H H6 . C B 2 6 ? 2.714 7.004 0.581 1.00 0.00 ? 23 C B H6 1
1555
+ ATOM 579 P P . C B 2 7 ? 0.864 10.933 2.951 1.00 0.00 ? 24 C B P 1
1556
+ ATOM 580 O OP1 . C B 2 7 ? -0.119 11.773 3.672 1.00 0.00 ? 24 C B OP1 1
1557
+ ATOM 581 O OP2 . C B 2 7 ? 1.166 11.204 1.528 1.00 0.00 ? 24 C B OP2 1
1558
+ ATOM 582 O "O5'" . C B 2 7 ? 2.250 10.957 3.770 1.00 0.00 ? 24 C B "O5'" 1
1559
+ ATOM 583 C "C5'" . C B 2 7 ? 2.258 10.843 5.198 1.00 0.00 ? 24 C B "C5'" 1
1560
+ ATOM 584 C "C4'" . C B 2 7 ? 3.618 10.395 5.720 1.00 0.00 ? 24 C B "C4'" 1
1561
+ ATOM 585 O "O4'" . C B 2 7 ? 3.938 9.107 5.189 1.00 0.00 ? 24 C B "O4'" 1
1562
+ ATOM 586 C "C3'" . C B 2 7 ? 4.792 11.253 5.282 1.00 0.00 ? 24 C B "C3'" 1
1563
+ ATOM 587 O "O3'" . C B 2 7 ? 4.890 12.439 6.079 1.00 0.00 ? 24 C B "O3'" 1
1564
+ ATOM 588 C "C2'" . C B 2 7 ? 5.948 10.303 5.565 1.00 0.00 ? 24 C B "C2'" 1
1565
+ ATOM 589 O "O2'" . C B 2 7 ? 6.239 10.269 6.967 1.00 0.00 ? 24 C B "O2'" 1
1566
+ ATOM 590 C "C1'" . C B 2 7 ? 5.366 8.960 5.105 1.00 0.00 ? 24 C B "C1'" 1
1567
+ ATOM 591 N N1 . C B 2 7 ? 5.738 8.625 3.712 1.00 0.00 ? 24 C B N1 1
1568
+ ATOM 592 C C2 . C B 2 7 ? 6.916 7.921 3.518 1.00 0.00 ? 24 C B C2 1
1569
+ ATOM 593 O O2 . C B 2 7 ? 7.612 7.599 4.476 1.00 0.00 ? 24 C B O2 1
1570
+ ATOM 594 N N3 . C B 2 7 ? 7.285 7.599 2.252 1.00 0.00 ? 24 C B N3 1
1571
+ ATOM 595 C C4 . C B 2 7 ? 6.530 7.953 1.210 1.00 0.00 ? 24 C B C4 1
1572
+ ATOM 596 N N4 . C B 2 7 ? 6.950 7.597 -0.002 1.00 0.00 ? 24 C B N4 1
1573
+ ATOM 597 C C5 . C B 2 7 ? 5.312 8.680 1.395 1.00 0.00 ? 24 C B C5 1
1574
+ ATOM 598 C C6 . C B 2 7 ? 4.954 8.993 2.656 1.00 0.00 ? 24 C B C6 1
1575
+ ATOM 599 H "H5'" . C B 2 7 ? 1.504 10.117 5.504 1.00 0.00 ? 24 C B "H5'" 1
1576
+ ATOM 600 H "H5''" . C B 2 7 ? 2.013 11.813 5.632 1.00 0.00 ? 24 C B "H5''" 1
1577
+ ATOM 601 H "H4'" . C B 2 7 ? 3.577 10.330 6.807 1.00 0.00 ? 24 C B "H4'" 1
1578
+ ATOM 602 H "H3'" . C B 2 7 ? 4.731 11.490 4.219 1.00 0.00 ? 24 C B "H3'" 1
1579
+ ATOM 603 H "HO3'" . C B 2 7 ? 4.057 12.909 5.995 1.00 0.00 ? 24 C B "HO3'" 1
1580
+ ATOM 604 H "H2'" . C B 2 7 ? 6.831 10.570 4.985 1.00 0.00 ? 24 C B "H2'" 1
1581
+ ATOM 605 H "HO2'" . C B 2 7 ? 6.198 11.175 7.287 1.00 0.00 ? 24 C B "HO2'" 1
1582
+ ATOM 606 H "H1'" . C B 2 7 ? 5.683 8.154 5.767 1.00 0.00 ? 24 C B "H1'" 1
1583
+ ATOM 607 H H41 . C B 2 7 ? 7.775 7.016 -0.100 1.00 0.00 ? 24 C B H41 1
1584
+ ATOM 608 H H42 . C B 2 7 ? 6.447 7.905 -0.822 1.00 0.00 ? 24 C B H42 1
1585
+ ATOM 609 H H5 . C B 2 7 ? 4.688 8.976 0.551 1.00 0.00 ? 24 C B H5 1
1586
+ ATOM 610 H H6 . C B 2 7 ? 4.026 9.538 2.835 1.00 0.00 ? 24 C B H6 1
1587
+ #
structures/1bn0.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/1bzt.cif ADDED
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1
+ data_1BZT
2
+ #
3
+ _entry.id 1BZT
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.392
7
+ _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8
+ #
9
+ loop_
10
+ _database_2.database_id
11
+ _database_2.database_code
12
+ _database_2.pdbx_database_accession
13
+ _database_2.pdbx_DOI
14
+ PDB 1BZT pdb_00001bzt 10.2210/pdb1bzt/pdb
15
+ WWPDB D_1000172160 ? ?
16
+ #
17
+ loop_
18
+ _pdbx_audit_revision_history.ordinal
19
+ _pdbx_audit_revision_history.data_content_type
20
+ _pdbx_audit_revision_history.major_revision
21
+ _pdbx_audit_revision_history.minor_revision
22
+ _pdbx_audit_revision_history.revision_date
23
+ 1 'Structure model' 1 0 1999-04-27
24
+ 2 'Structure model' 1 1 2008-03-24
25
+ 3 'Structure model' 1 2 2011-07-13
26
+ 4 'Structure model' 1 3 2022-02-16
27
+ 5 'Structure model' 1 4 2024-05-22
28
+ #
29
+ _pdbx_audit_revision_details.ordinal 1
30
+ _pdbx_audit_revision_details.revision_ordinal 1
31
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
32
+ _pdbx_audit_revision_details.provider repository
33
+ _pdbx_audit_revision_details.type 'Initial release'
34
+ _pdbx_audit_revision_details.description ?
35
+ _pdbx_audit_revision_details.details ?
36
+ #
37
+ loop_
38
+ _pdbx_audit_revision_group.ordinal
39
+ _pdbx_audit_revision_group.revision_ordinal
40
+ _pdbx_audit_revision_group.data_content_type
41
+ _pdbx_audit_revision_group.group
42
+ 1 2 'Structure model' 'Version format compliance'
43
+ 2 3 'Structure model' 'Version format compliance'
44
+ 3 4 'Structure model' 'Data collection'
45
+ 4 4 'Structure model' 'Database references'
46
+ 5 4 'Structure model' 'Derived calculations'
47
+ 6 4 'Structure model' Other
48
+ 7 5 'Structure model' 'Data collection'
49
+ #
50
+ loop_
51
+ _pdbx_audit_revision_category.ordinal
52
+ _pdbx_audit_revision_category.revision_ordinal
53
+ _pdbx_audit_revision_category.data_content_type
54
+ _pdbx_audit_revision_category.category
55
+ 1 4 'Structure model' database_2
56
+ 2 4 'Structure model' pdbx_database_status
57
+ 3 4 'Structure model' pdbx_nmr_software
58
+ 4 4 'Structure model' pdbx_struct_assembly
59
+ 5 4 'Structure model' pdbx_struct_oper_list
60
+ 6 4 'Structure model' struct_conn
61
+ 7 5 'Structure model' chem_comp_atom
62
+ 8 5 'Structure model' chem_comp_bond
63
+ #
64
+ loop_
65
+ _pdbx_audit_revision_item.ordinal
66
+ _pdbx_audit_revision_item.revision_ordinal
67
+ _pdbx_audit_revision_item.data_content_type
68
+ _pdbx_audit_revision_item.item
69
+ 1 4 'Structure model' '_database_2.pdbx_DOI'
70
+ 2 4 'Structure model' '_database_2.pdbx_database_accession'
71
+ 3 4 'Structure model' '_pdbx_database_status.process_site'
72
+ 4 4 'Structure model' '_pdbx_nmr_software.name'
73
+ 5 4 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'
74
+ #
75
+ _pdbx_database_status.status_code REL
76
+ _pdbx_database_status.entry_id 1BZT
77
+ _pdbx_database_status.recvd_initial_deposition_date 1998-11-05
78
+ _pdbx_database_status.deposit_site ?
79
+ _pdbx_database_status.process_site BNL
80
+ _pdbx_database_status.status_code_sf ?
81
+ _pdbx_database_status.status_code_mr REL
82
+ _pdbx_database_status.SG_entry ?
83
+ _pdbx_database_status.pdb_format_compatible Y
84
+ _pdbx_database_status.status_code_cs ?
85
+ _pdbx_database_status.status_code_nmr_data ?
86
+ _pdbx_database_status.methods_development_category ?
87
+ #
88
+ loop_
89
+ _audit_author.name
90
+ _audit_author.pdbx_ordinal
91
+ 'Durant, P.C.' 1
92
+ 'Davis, D.R.' 2
93
+ #
94
+ _citation.id primary
95
+ _citation.title
96
+ 'Stabilization of the anticodon stem-loop of tRNALys,3 by an A+-C base-pair and by pseudouridine.'
97
+ _citation.journal_abbrev J.Mol.Biol.
98
+ _citation.journal_volume 285
99
+ _citation.page_first 115
100
+ _citation.page_last 131
101
+ _citation.year 1999
102
+ _citation.journal_id_ASTM JMOBAK
103
+ _citation.country UK
104
+ _citation.journal_id_ISSN 0022-2836
105
+ _citation.journal_id_CSD 0070
106
+ _citation.book_publisher ?
107
+ _citation.pdbx_database_id_PubMed 9878393
108
+ _citation.pdbx_database_id_DOI 10.1006/jmbi.1998.2297
109
+ #
110
+ loop_
111
+ _citation_author.citation_id
112
+ _citation_author.name
113
+ _citation_author.ordinal
114
+ _citation_author.identifier_ORCID
115
+ primary 'Durant, P.C.' 1 ?
116
+ primary 'Davis, D.R.' 2 ?
117
+ #
118
+ _entity.id 1
119
+ _entity.type polymer
120
+ _entity.src_method syn
121
+ _entity.pdbx_description TRNA
122
+ _entity.formula_weight 5350.189
123
+ _entity.pdbx_number_of_molecules 1
124
+ _entity.pdbx_ec ?
125
+ _entity.pdbx_mutation ?
126
+ _entity.pdbx_fragment 'ANTICODON (RESIDUES 27-43)'
127
+ _entity.details ?
128
+ #
129
+ _entity_poly.entity_id 1
130
+ _entity_poly.type polyribonucleotide
131
+ _entity_poly.nstd_linkage no
132
+ _entity_poly.nstd_monomer yes
133
+ _entity_poly.pdbx_seq_one_letter_code 'UCAGACUUUUAA(PSU)CUGA'
134
+ _entity_poly.pdbx_seq_one_letter_code_can UCAGACUUUUAAUCUGA
135
+ _entity_poly.pdbx_strand_id A
136
+ _entity_poly.pdbx_target_identifier ?
137
+ #
138
+ loop_
139
+ _entity_poly_seq.entity_id
140
+ _entity_poly_seq.num
141
+ _entity_poly_seq.mon_id
142
+ _entity_poly_seq.hetero
143
+ 1 1 U n
144
+ 1 2 C n
145
+ 1 3 A n
146
+ 1 4 G n
147
+ 1 5 A n
148
+ 1 6 C n
149
+ 1 7 U n
150
+ 1 8 U n
151
+ 1 9 U n
152
+ 1 10 U n
153
+ 1 11 A n
154
+ 1 12 A n
155
+ 1 13 PSU n
156
+ 1 14 C n
157
+ 1 15 U n
158
+ 1 16 G n
159
+ 1 17 A n
160
+ #
161
+ loop_
162
+ _chem_comp.id
163
+ _chem_comp.type
164
+ _chem_comp.mon_nstd_flag
165
+ _chem_comp.name
166
+ _chem_comp.pdbx_synonyms
167
+ _chem_comp.formula
168
+ _chem_comp.formula_weight
169
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
170
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
171
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
172
+ PSU 'RNA linking' n "PSEUDOURIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
173
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
174
+ #
175
+ loop_
176
+ _pdbx_poly_seq_scheme.asym_id
177
+ _pdbx_poly_seq_scheme.entity_id
178
+ _pdbx_poly_seq_scheme.seq_id
179
+ _pdbx_poly_seq_scheme.mon_id
180
+ _pdbx_poly_seq_scheme.ndb_seq_num
181
+ _pdbx_poly_seq_scheme.pdb_seq_num
182
+ _pdbx_poly_seq_scheme.auth_seq_num
183
+ _pdbx_poly_seq_scheme.pdb_mon_id
184
+ _pdbx_poly_seq_scheme.auth_mon_id
185
+ _pdbx_poly_seq_scheme.pdb_strand_id
186
+ _pdbx_poly_seq_scheme.pdb_ins_code
187
+ _pdbx_poly_seq_scheme.hetero
188
+ A 1 1 U 1 27 27 U U A . n
189
+ A 1 2 C 2 28 28 C C A . n
190
+ A 1 3 A 3 29 29 A A A . n
191
+ A 1 4 G 4 30 30 G G A . n
192
+ A 1 5 A 5 31 31 A A A . n
193
+ A 1 6 C 6 32 32 C C A . n
194
+ A 1 7 U 7 33 33 U U A . n
195
+ A 1 8 U 8 34 34 U U A . n
196
+ A 1 9 U 9 35 35 U U A . n
197
+ A 1 10 U 10 36 36 U U A . n
198
+ A 1 11 A 11 37 37 A A A . n
199
+ A 1 12 A 12 38 38 A A A . n
200
+ A 1 13 PSU 13 39 39 PSU PSU A . n
201
+ A 1 14 C 14 40 40 C C A . n
202
+ A 1 15 U 15 41 41 U U A . n
203
+ A 1 16 G 16 42 42 G G A . n
204
+ A 1 17 A 17 43 43 A A A . n
205
+ #
206
+ loop_
207
+ _software.name
208
+ _software.classification
209
+ _software.version
210
+ _software.citation_id
211
+ _software.pdbx_ordinal
212
+ VNMR 'model building' . ? 1
213
+ AMBER refinement . ? 2
214
+ VNMR phasing . ? 3
215
+ #
216
+ _cell.entry_id 1BZT
217
+ _cell.length_a 1.000
218
+ _cell.length_b 1.000
219
+ _cell.length_c 1.000
220
+ _cell.angle_alpha 90.00
221
+ _cell.angle_beta 90.00
222
+ _cell.angle_gamma 90.00
223
+ _cell.Z_PDB 1
224
+ _cell.pdbx_unique_axis ?
225
+ #
226
+ _symmetry.entry_id 1BZT
227
+ _symmetry.space_group_name_H-M 'P 1'
228
+ _symmetry.pdbx_full_space_group_name_H-M ?
229
+ _symmetry.cell_setting ?
230
+ _symmetry.Int_Tables_number 1
231
+ #
232
+ _exptl.entry_id 1BZT
233
+ _exptl.method 'SOLUTION NMR'
234
+ _exptl.crystals_number ?
235
+ #
236
+ _database_PDB_matrix.entry_id 1BZT
237
+ _database_PDB_matrix.origx[1][1] 1.000000
238
+ _database_PDB_matrix.origx[1][2] 0.000000
239
+ _database_PDB_matrix.origx[1][3] 0.000000
240
+ _database_PDB_matrix.origx[2][1] 0.000000
241
+ _database_PDB_matrix.origx[2][2] 1.000000
242
+ _database_PDB_matrix.origx[2][3] 0.000000
243
+ _database_PDB_matrix.origx[3][1] 0.000000
244
+ _database_PDB_matrix.origx[3][2] 0.000000
245
+ _database_PDB_matrix.origx[3][3] 1.000000
246
+ _database_PDB_matrix.origx_vector[1] 0.00000
247
+ _database_PDB_matrix.origx_vector[2] 0.00000
248
+ _database_PDB_matrix.origx_vector[3] 0.00000
249
+ #
250
+ _struct.entry_id 1BZT
251
+ _struct.title
252
+ 'STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS,3 BY AN A+C BASE PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE'
253
+ _struct.pdbx_model_details ?
254
+ _struct.pdbx_CASP_flag ?
255
+ _struct.pdbx_model_type_details ?
256
+ #
257
+ _struct_keywords.entry_id 1BZT
258
+ _struct_keywords.pdbx_keywords RNA
259
+ _struct_keywords.text 'TRNA, PSEUDOURIDINE, ANTICODON, RNA'
260
+ #
261
+ _struct_asym.id A
262
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
263
+ _struct_asym.pdbx_modified N
264
+ _struct_asym.entity_id 1
265
+ _struct_asym.details ?
266
+ #
267
+ _struct_ref.id 1
268
+ _struct_ref.entity_id 1
269
+ _struct_ref.db_name PDB
270
+ _struct_ref.db_code 1BZT
271
+ _struct_ref.pdbx_db_accession 1BZT
272
+ _struct_ref.pdbx_db_isoform ?
273
+ _struct_ref.pdbx_seq_one_letter_code ?
274
+ _struct_ref.pdbx_align_begin ?
275
+ #
276
+ _struct_ref_seq.align_id 1
277
+ _struct_ref_seq.ref_id 1
278
+ _struct_ref_seq.pdbx_PDB_id_code 1BZT
279
+ _struct_ref_seq.pdbx_strand_id A
280
+ _struct_ref_seq.seq_align_beg 1
281
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
282
+ _struct_ref_seq.seq_align_end 17
283
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
284
+ _struct_ref_seq.pdbx_db_accession 1BZT
285
+ _struct_ref_seq.db_align_beg 27
286
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
287
+ _struct_ref_seq.db_align_end 43
288
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
289
+ _struct_ref_seq.pdbx_auth_seq_align_beg 27
290
+ _struct_ref_seq.pdbx_auth_seq_align_end 43
291
+ #
292
+ _pdbx_struct_assembly.id 1
293
+ _pdbx_struct_assembly.details author_defined_assembly
294
+ _pdbx_struct_assembly.method_details ?
295
+ _pdbx_struct_assembly.oligomeric_details monomeric
296
+ _pdbx_struct_assembly.oligomeric_count 1
297
+ #
298
+ _pdbx_struct_assembly_gen.assembly_id 1
299
+ _pdbx_struct_assembly_gen.oper_expression 1
300
+ _pdbx_struct_assembly_gen.asym_id_list A
301
+ #
302
+ _pdbx_struct_oper_list.id 1
303
+ _pdbx_struct_oper_list.type 'identity operation'
304
+ _pdbx_struct_oper_list.name 1_555
305
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
306
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
307
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
308
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
309
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
310
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
311
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
312
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
313
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
314
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
315
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
316
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
317
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
318
+ #
319
+ _struct_biol.id 1
320
+ #
321
+ loop_
322
+ _struct_conn.id
323
+ _struct_conn.conn_type_id
324
+ _struct_conn.pdbx_leaving_atom_flag
325
+ _struct_conn.pdbx_PDB_id
326
+ _struct_conn.ptnr1_label_asym_id
327
+ _struct_conn.ptnr1_label_comp_id
328
+ _struct_conn.ptnr1_label_seq_id
329
+ _struct_conn.ptnr1_label_atom_id
330
+ _struct_conn.pdbx_ptnr1_label_alt_id
331
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
332
+ _struct_conn.pdbx_ptnr1_standard_comp_id
333
+ _struct_conn.ptnr1_symmetry
334
+ _struct_conn.ptnr2_label_asym_id
335
+ _struct_conn.ptnr2_label_comp_id
336
+ _struct_conn.ptnr2_label_seq_id
337
+ _struct_conn.ptnr2_label_atom_id
338
+ _struct_conn.pdbx_ptnr2_label_alt_id
339
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
340
+ _struct_conn.ptnr1_auth_asym_id
341
+ _struct_conn.ptnr1_auth_comp_id
342
+ _struct_conn.ptnr1_auth_seq_id
343
+ _struct_conn.ptnr2_auth_asym_id
344
+ _struct_conn.ptnr2_auth_comp_id
345
+ _struct_conn.ptnr2_auth_seq_id
346
+ _struct_conn.ptnr2_symmetry
347
+ _struct_conn.pdbx_ptnr3_label_atom_id
348
+ _struct_conn.pdbx_ptnr3_label_seq_id
349
+ _struct_conn.pdbx_ptnr3_label_comp_id
350
+ _struct_conn.pdbx_ptnr3_label_asym_id
351
+ _struct_conn.pdbx_ptnr3_label_alt_id
352
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
353
+ _struct_conn.details
354
+ _struct_conn.pdbx_dist_value
355
+ _struct_conn.pdbx_value_order
356
+ _struct_conn.pdbx_role
357
+ covale1 covale both ? A A 12 "O3'" ? ? ? 1_555 A PSU 13 P ? ? A A 38 A PSU 39 1_555 ? ? ? ? ? ? ?
358
+ 1.625 ? ?
359
+ covale2 covale both ? A PSU 13 "O3'" ? ? ? 1_555 A C 14 P ? ? A PSU 39 A C 40 1_555 ? ? ? ? ? ? ?
360
+ 1.618 ? ?
361
+ hydrog1 hydrog ? ? A U 1 N3 ? ? ? 1_555 A A 17 N1 ? ? A U 27 A A 43 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
362
+ ?
363
+ hydrog2 hydrog ? ? A U 1 O4 ? ? ? 1_555 A A 17 N6 ? ? A U 27 A A 43 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
364
+ ?
365
+ hydrog3 hydrog ? ? A C 2 N3 ? ? ? 1_555 A G 16 N1 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
366
+ ?
367
+ hydrog4 hydrog ? ? A C 2 N4 ? ? ? 1_555 A G 16 O6 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
368
+ ?
369
+ hydrog5 hydrog ? ? A C 2 O2 ? ? ? 1_555 A G 16 N2 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
370
+ ?
371
+ hydrog6 hydrog ? ? A A 3 N1 ? ? ? 1_555 A U 15 N3 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
372
+ ?
373
+ hydrog7 hydrog ? ? A A 3 N6 ? ? ? 1_555 A U 15 O4 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
374
+ ?
375
+ hydrog8 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 14 N3 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
376
+ ?
377
+ hydrog9 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 14 O2 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
378
+ ?
379
+ hydrog10 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 14 N4 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
380
+ ?
381
+ hydrog11 hydrog ? ? A A 5 N1 ? ? ? 1_555 A PSU 13 N3 ? ? A A 31 A PSU 39 1_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ?
382
+ ?
383
+ hydrog12 hydrog ? ? A A 5 N6 ? ? ? 1_555 A PSU 13 O2 ? ? A A 31 A PSU 39 1_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ?
384
+ ?
385
+ hydrog13 hydrog ? ? A C 6 N3 ? ? ? 1_555 A A 12 N6 ? ? A C 32 A A 38 1_555 ? ? ? ? ? ? 'C-A MISPAIR' ? ?
386
+ ?
387
+ #
388
+ loop_
389
+ _struct_conn_type.id
390
+ _struct_conn_type.criteria
391
+ _struct_conn_type.reference
392
+ covale ? ?
393
+ hydrog ? ?
394
+ #
395
+ loop_
396
+ _pdbx_validate_rmsd_angle.id
397
+ _pdbx_validate_rmsd_angle.PDB_model_num
398
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
399
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
400
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
401
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
402
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
403
+ _pdbx_validate_rmsd_angle.label_alt_id_1
404
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
405
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
406
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
407
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
408
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
409
+ _pdbx_validate_rmsd_angle.label_alt_id_2
410
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
411
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
412
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
413
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
414
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
415
+ _pdbx_validate_rmsd_angle.label_alt_id_3
416
+ _pdbx_validate_rmsd_angle.angle_value
417
+ _pdbx_validate_rmsd_angle.angle_target_value
418
+ _pdbx_validate_rmsd_angle.angle_deviation
419
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
420
+ _pdbx_validate_rmsd_angle.linker_flag
421
+ 1 1 "O4'" A U 27 ? ? "C1'" A U 27 ? ? N1 A U 27 ? ? 113.69 108.50 5.19 0.70 N
422
+ 2 1 "O4'" A C 28 ? ? "C1'" A C 28 ? ? N1 A C 28 ? ? 113.72 108.50 5.22 0.70 N
423
+ 3 1 "O4'" A A 31 ? ? "C1'" A A 31 ? ? N9 A A 31 ? ? 114.06 108.50 5.56 0.70 N
424
+ 4 1 "C5'" A U 36 ? ? "C4'" A U 36 ? ? "C3'" A U 36 ? ? 129.38 116.00 13.38 1.60 N
425
+ 5 1 "C5'" A U 36 ? ? "C4'" A U 36 ? ? "O4'" A U 36 ? ? 101.18 109.10 -7.92 1.20 N
426
+ 6 1 "C3'" A U 36 ? ? "C2'" A U 36 ? ? "C1'" A U 36 ? ? 106.95 101.50 5.45 0.80 N
427
+ 7 1 "C3'" A U 36 ? ? "O3'" A U 36 ? ? P A A 37 ? ? 127.95 119.70 8.25 1.20 Y
428
+ 8 1 "C3'" A A 37 ? ? "C2'" A A 37 ? ? "C1'" A A 37 ? ? 109.11 101.50 7.61 0.80 N
429
+ 9 1 "O4'" A A 38 ? ? "C1'" A A 38 ? ? N9 A A 38 ? ? 113.27 108.50 4.77 0.70 N
430
+ 10 1 "O4'" A U 41 ? ? "C1'" A U 41 ? ? N1 A U 41 ? ? 114.02 108.50 5.52 0.70 N
431
+ #
432
+ _pdbx_validate_planes.id 1
433
+ _pdbx_validate_planes.PDB_model_num 1
434
+ _pdbx_validate_planes.auth_comp_id A
435
+ _pdbx_validate_planes.auth_asym_id A
436
+ _pdbx_validate_planes.auth_seq_id 31
437
+ _pdbx_validate_planes.PDB_ins_code ?
438
+ _pdbx_validate_planes.label_alt_id ?
439
+ _pdbx_validate_planes.rmsd 0.073
440
+ _pdbx_validate_planes.type 'SIDE CHAIN'
441
+ #
442
+ _pdbx_struct_mod_residue.id 1
443
+ _pdbx_struct_mod_residue.label_asym_id A
444
+ _pdbx_struct_mod_residue.label_comp_id PSU
445
+ _pdbx_struct_mod_residue.label_seq_id 13
446
+ _pdbx_struct_mod_residue.auth_asym_id A
447
+ _pdbx_struct_mod_residue.auth_comp_id PSU
448
+ _pdbx_struct_mod_residue.auth_seq_id 39
449
+ _pdbx_struct_mod_residue.PDB_ins_code ?
450
+ _pdbx_struct_mod_residue.parent_comp_id U
451
+ _pdbx_struct_mod_residue.details "PSEUDOURIDINE-5'-MONOPHOSPHATE"
452
+ #
453
+ _pdbx_nmr_ensemble.entry_id 1BZT
454
+ _pdbx_nmr_ensemble.conformers_calculated_total_number 50
455
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
456
+ _pdbx_nmr_ensemble.conformer_selection_criteria 'LEAST RESTRAINT VIOLATION'
457
+ #
458
+ _pdbx_nmr_sample_details.solution_id 1
459
+ _pdbx_nmr_sample_details.contents H2O/D2O
460
+ #
461
+ _pdbx_nmr_exptl_sample_conditions.conditions_id 1
462
+ _pdbx_nmr_exptl_sample_conditions.temperature 303
463
+ _pdbx_nmr_exptl_sample_conditions.pressure ?
464
+ _pdbx_nmr_exptl_sample_conditions.pH 5
465
+ _pdbx_nmr_exptl_sample_conditions.ionic_strength '100 mM NACL'
466
+ _pdbx_nmr_exptl_sample_conditions.pressure_units .
467
+ _pdbx_nmr_exptl_sample_conditions.temperature_units K
468
+ #
469
+ loop_
470
+ _pdbx_nmr_exptl.experiment_id
471
+ _pdbx_nmr_exptl.conditions_id
472
+ _pdbx_nmr_exptl.type
473
+ _pdbx_nmr_exptl.solution_id
474
+ 1 1 NOESY 1
475
+ 2 1 ROESY 1
476
+ 3 1 TOCSY 1
477
+ 4 1 HMQC 1
478
+ 5 1 '1H-31P COSY' 1
479
+ 6 1 '1H-31P HETERO-TOCSY-TOCSY' 1
480
+ 7 1 DQCOSY 1
481
+ #
482
+ _pdbx_nmr_details.entry_id 1BZT
483
+ _pdbx_nmr_details.text
484
+ ;LOWEST RMSD DIFFERENCE FROM AVERAGE STRUCTURE. STRUCTURE WAS DETERMINED USING RESTRAINTS FROM HOMONUCLEAR ROESY, DQCOSY AND NOESY DATA. ASSIGNMENTS WERE MADE WITH A COMBINATION OF ROESY, NOESY, TOCSY, 1H-13C HMQC AND 1H-31P.
485
+ ;
486
+ #
487
+ _pdbx_nmr_refine.entry_id 1BZT
488
+ _pdbx_nmr_refine.method 'molecular dynamics'
489
+ _pdbx_nmr_refine.details 'AMBER FORCEFIELD'
490
+ _pdbx_nmr_refine.software_ordinal 1
491
+ #
492
+ loop_
493
+ _pdbx_nmr_software.classification
494
+ _pdbx_nmr_software.name
495
+ _pdbx_nmr_software.version
496
+ _pdbx_nmr_software.authors
497
+ _pdbx_nmr_software.ordinal
498
+ refinement Discover 95 MSI 1
499
+ 'structure solution' VNMR ? ? 2
500
+ 'structure solution' Felix ? ? 3
501
+ 'structure solution' Discover ? ? 4
502
+ #
503
+ loop_
504
+ _chem_comp_atom.comp_id
505
+ _chem_comp_atom.atom_id
506
+ _chem_comp_atom.type_symbol
507
+ _chem_comp_atom.pdbx_aromatic_flag
508
+ _chem_comp_atom.pdbx_stereo_config
509
+ _chem_comp_atom.pdbx_ordinal
510
+ A OP3 O N N 1
511
+ A P P N N 2
512
+ A OP1 O N N 3
513
+ A OP2 O N N 4
514
+ A "O5'" O N N 5
515
+ A "C5'" C N N 6
516
+ A "C4'" C N R 7
517
+ A "O4'" O N N 8
518
+ A "C3'" C N S 9
519
+ A "O3'" O N N 10
520
+ A "C2'" C N R 11
521
+ A "O2'" O N N 12
522
+ A "C1'" C N R 13
523
+ A N9 N Y N 14
524
+ A C8 C Y N 15
525
+ A N7 N Y N 16
526
+ A C5 C Y N 17
527
+ A C6 C Y N 18
528
+ A N6 N N N 19
529
+ A N1 N Y N 20
530
+ A C2 C Y N 21
531
+ A N3 N Y N 22
532
+ A C4 C Y N 23
533
+ A HOP3 H N N 24
534
+ A HOP2 H N N 25
535
+ A "H5'" H N N 26
536
+ A "H5''" H N N 27
537
+ A "H4'" H N N 28
538
+ A "H3'" H N N 29
539
+ A "HO3'" H N N 30
540
+ A "H2'" H N N 31
541
+ A "HO2'" H N N 32
542
+ A "H1'" H N N 33
543
+ A H8 H N N 34
544
+ A H61 H N N 35
545
+ A H62 H N N 36
546
+ A H2 H N N 37
547
+ C OP3 O N N 38
548
+ C P P N N 39
549
+ C OP1 O N N 40
550
+ C OP2 O N N 41
551
+ C "O5'" O N N 42
552
+ C "C5'" C N N 43
553
+ C "C4'" C N R 44
554
+ C "O4'" O N N 45
555
+ C "C3'" C N S 46
556
+ C "O3'" O N N 47
557
+ C "C2'" C N R 48
558
+ C "O2'" O N N 49
559
+ C "C1'" C N R 50
560
+ C N1 N N N 51
561
+ C C2 C N N 52
562
+ C O2 O N N 53
563
+ C N3 N N N 54
564
+ C C4 C N N 55
565
+ C N4 N N N 56
566
+ C C5 C N N 57
567
+ C C6 C N N 58
568
+ C HOP3 H N N 59
569
+ C HOP2 H N N 60
570
+ C "H5'" H N N 61
571
+ C "H5''" H N N 62
572
+ C "H4'" H N N 63
573
+ C "H3'" H N N 64
574
+ C "HO3'" H N N 65
575
+ C "H2'" H N N 66
576
+ C "HO2'" H N N 67
577
+ C "H1'" H N N 68
578
+ C H41 H N N 69
579
+ C H42 H N N 70
580
+ C H5 H N N 71
581
+ C H6 H N N 72
582
+ G OP3 O N N 73
583
+ G P P N N 74
584
+ G OP1 O N N 75
585
+ G OP2 O N N 76
586
+ G "O5'" O N N 77
587
+ G "C5'" C N N 78
588
+ G "C4'" C N R 79
589
+ G "O4'" O N N 80
590
+ G "C3'" C N S 81
591
+ G "O3'" O N N 82
592
+ G "C2'" C N R 83
593
+ G "O2'" O N N 84
594
+ G "C1'" C N R 85
595
+ G N9 N Y N 86
596
+ G C8 C Y N 87
597
+ G N7 N Y N 88
598
+ G C5 C Y N 89
599
+ G C6 C N N 90
600
+ G O6 O N N 91
601
+ G N1 N N N 92
602
+ G C2 C N N 93
603
+ G N2 N N N 94
604
+ G N3 N N N 95
605
+ G C4 C Y N 96
606
+ G HOP3 H N N 97
607
+ G HOP2 H N N 98
608
+ G "H5'" H N N 99
609
+ G "H5''" H N N 100
610
+ G "H4'" H N N 101
611
+ G "H3'" H N N 102
612
+ G "HO3'" H N N 103
613
+ G "H2'" H N N 104
614
+ G "HO2'" H N N 105
615
+ G "H1'" H N N 106
616
+ G H8 H N N 107
617
+ G H1 H N N 108
618
+ G H21 H N N 109
619
+ G H22 H N N 110
620
+ PSU N1 N N N 111
621
+ PSU C2 C N N 112
622
+ PSU N3 N N N 113
623
+ PSU C4 C N N 114
624
+ PSU C5 C N N 115
625
+ PSU C6 C N N 116
626
+ PSU O2 O N N 117
627
+ PSU O4 O N N 118
628
+ PSU "C1'" C N S 119
629
+ PSU "C2'" C N R 120
630
+ PSU "O2'" O N N 121
631
+ PSU "C3'" C N S 122
632
+ PSU "C4'" C N R 123
633
+ PSU "O3'" O N N 124
634
+ PSU "O4'" O N N 125
635
+ PSU "C5'" C N N 126
636
+ PSU "O5'" O N N 127
637
+ PSU P P N N 128
638
+ PSU OP1 O N N 129
639
+ PSU OP2 O N N 130
640
+ PSU OP3 O N N 131
641
+ PSU HN1 H N N 132
642
+ PSU HN3 H N N 133
643
+ PSU H6 H N N 134
644
+ PSU "H1'" H N N 135
645
+ PSU "H2'" H N N 136
646
+ PSU "HO2'" H N N 137
647
+ PSU "H3'" H N N 138
648
+ PSU "H4'" H N N 139
649
+ PSU "HO3'" H N N 140
650
+ PSU "H5'" H N N 141
651
+ PSU "H5''" H N N 142
652
+ PSU HOP2 H N N 143
653
+ PSU HOP3 H N N 144
654
+ U OP3 O N N 145
655
+ U P P N N 146
656
+ U OP1 O N N 147
657
+ U OP2 O N N 148
658
+ U "O5'" O N N 149
659
+ U "C5'" C N N 150
660
+ U "C4'" C N R 151
661
+ U "O4'" O N N 152
662
+ U "C3'" C N S 153
663
+ U "O3'" O N N 154
664
+ U "C2'" C N R 155
665
+ U "O2'" O N N 156
666
+ U "C1'" C N R 157
667
+ U N1 N N N 158
668
+ U C2 C N N 159
669
+ U O2 O N N 160
670
+ U N3 N N N 161
671
+ U C4 C N N 162
672
+ U O4 O N N 163
673
+ U C5 C N N 164
674
+ U C6 C N N 165
675
+ U HOP3 H N N 166
676
+ U HOP2 H N N 167
677
+ U "H5'" H N N 168
678
+ U "H5''" H N N 169
679
+ U "H4'" H N N 170
680
+ U "H3'" H N N 171
681
+ U "HO3'" H N N 172
682
+ U "H2'" H N N 173
683
+ U "HO2'" H N N 174
684
+ U "H1'" H N N 175
685
+ U H3 H N N 176
686
+ U H5 H N N 177
687
+ U H6 H N N 178
688
+ #
689
+ loop_
690
+ _chem_comp_bond.comp_id
691
+ _chem_comp_bond.atom_id_1
692
+ _chem_comp_bond.atom_id_2
693
+ _chem_comp_bond.value_order
694
+ _chem_comp_bond.pdbx_aromatic_flag
695
+ _chem_comp_bond.pdbx_stereo_config
696
+ _chem_comp_bond.pdbx_ordinal
697
+ A OP3 P sing N N 1
698
+ A OP3 HOP3 sing N N 2
699
+ A P OP1 doub N N 3
700
+ A P OP2 sing N N 4
701
+ A P "O5'" sing N N 5
702
+ A OP2 HOP2 sing N N 6
703
+ A "O5'" "C5'" sing N N 7
704
+ A "C5'" "C4'" sing N N 8
705
+ A "C5'" "H5'" sing N N 9
706
+ A "C5'" "H5''" sing N N 10
707
+ A "C4'" "O4'" sing N N 11
708
+ A "C4'" "C3'" sing N N 12
709
+ A "C4'" "H4'" sing N N 13
710
+ A "O4'" "C1'" sing N N 14
711
+ A "C3'" "O3'" sing N N 15
712
+ A "C3'" "C2'" sing N N 16
713
+ A "C3'" "H3'" sing N N 17
714
+ A "O3'" "HO3'" sing N N 18
715
+ A "C2'" "O2'" sing N N 19
716
+ A "C2'" "C1'" sing N N 20
717
+ A "C2'" "H2'" sing N N 21
718
+ A "O2'" "HO2'" sing N N 22
719
+ A "C1'" N9 sing N N 23
720
+ A "C1'" "H1'" sing N N 24
721
+ A N9 C8 sing Y N 25
722
+ A N9 C4 sing Y N 26
723
+ A C8 N7 doub Y N 27
724
+ A C8 H8 sing N N 28
725
+ A N7 C5 sing Y N 29
726
+ A C5 C6 sing Y N 30
727
+ A C5 C4 doub Y N 31
728
+ A C6 N6 sing N N 32
729
+ A C6 N1 doub Y N 33
730
+ A N6 H61 sing N N 34
731
+ A N6 H62 sing N N 35
732
+ A N1 C2 sing Y N 36
733
+ A C2 N3 doub Y N 37
734
+ A C2 H2 sing N N 38
735
+ A N3 C4 sing Y N 39
736
+ C OP3 P sing N N 40
737
+ C OP3 HOP3 sing N N 41
738
+ C P OP1 doub N N 42
739
+ C P OP2 sing N N 43
740
+ C P "O5'" sing N N 44
741
+ C OP2 HOP2 sing N N 45
742
+ C "O5'" "C5'" sing N N 46
743
+ C "C5'" "C4'" sing N N 47
744
+ C "C5'" "H5'" sing N N 48
745
+ C "C5'" "H5''" sing N N 49
746
+ C "C4'" "O4'" sing N N 50
747
+ C "C4'" "C3'" sing N N 51
748
+ C "C4'" "H4'" sing N N 52
749
+ C "O4'" "C1'" sing N N 53
750
+ C "C3'" "O3'" sing N N 54
751
+ C "C3'" "C2'" sing N N 55
752
+ C "C3'" "H3'" sing N N 56
753
+ C "O3'" "HO3'" sing N N 57
754
+ C "C2'" "O2'" sing N N 58
755
+ C "C2'" "C1'" sing N N 59
756
+ C "C2'" "H2'" sing N N 60
757
+ C "O2'" "HO2'" sing N N 61
758
+ C "C1'" N1 sing N N 62
759
+ C "C1'" "H1'" sing N N 63
760
+ C N1 C2 sing N N 64
761
+ C N1 C6 sing N N 65
762
+ C C2 O2 doub N N 66
763
+ C C2 N3 sing N N 67
764
+ C N3 C4 doub N N 68
765
+ C C4 N4 sing N N 69
766
+ C C4 C5 sing N N 70
767
+ C N4 H41 sing N N 71
768
+ C N4 H42 sing N N 72
769
+ C C5 C6 doub N N 73
770
+ C C5 H5 sing N N 74
771
+ C C6 H6 sing N N 75
772
+ G OP3 P sing N N 76
773
+ G OP3 HOP3 sing N N 77
774
+ G P OP1 doub N N 78
775
+ G P OP2 sing N N 79
776
+ G P "O5'" sing N N 80
777
+ G OP2 HOP2 sing N N 81
778
+ G "O5'" "C5'" sing N N 82
779
+ G "C5'" "C4'" sing N N 83
780
+ G "C5'" "H5'" sing N N 84
781
+ G "C5'" "H5''" sing N N 85
782
+ G "C4'" "O4'" sing N N 86
783
+ G "C4'" "C3'" sing N N 87
784
+ G "C4'" "H4'" sing N N 88
785
+ G "O4'" "C1'" sing N N 89
786
+ G "C3'" "O3'" sing N N 90
787
+ G "C3'" "C2'" sing N N 91
788
+ G "C3'" "H3'" sing N N 92
789
+ G "O3'" "HO3'" sing N N 93
790
+ G "C2'" "O2'" sing N N 94
791
+ G "C2'" "C1'" sing N N 95
792
+ G "C2'" "H2'" sing N N 96
793
+ G "O2'" "HO2'" sing N N 97
794
+ G "C1'" N9 sing N N 98
795
+ G "C1'" "H1'" sing N N 99
796
+ G N9 C8 sing Y N 100
797
+ G N9 C4 sing Y N 101
798
+ G C8 N7 doub Y N 102
799
+ G C8 H8 sing N N 103
800
+ G N7 C5 sing Y N 104
801
+ G C5 C6 sing N N 105
802
+ G C5 C4 doub Y N 106
803
+ G C6 O6 doub N N 107
804
+ G C6 N1 sing N N 108
805
+ G N1 C2 sing N N 109
806
+ G N1 H1 sing N N 110
807
+ G C2 N2 sing N N 111
808
+ G C2 N3 doub N N 112
809
+ G N2 H21 sing N N 113
810
+ G N2 H22 sing N N 114
811
+ G N3 C4 sing N N 115
812
+ PSU N1 C2 sing N N 116
813
+ PSU N1 C6 sing N N 117
814
+ PSU N1 HN1 sing N N 118
815
+ PSU C2 N3 sing N N 119
816
+ PSU C2 O2 doub N N 120
817
+ PSU N3 C4 sing N N 121
818
+ PSU N3 HN3 sing N N 122
819
+ PSU C4 C5 sing N N 123
820
+ PSU C4 O4 doub N N 124
821
+ PSU C5 C6 doub N N 125
822
+ PSU C5 "C1'" sing N N 126
823
+ PSU C6 H6 sing N N 127
824
+ PSU "C1'" "C2'" sing N N 128
825
+ PSU "C1'" "O4'" sing N N 129
826
+ PSU "C1'" "H1'" sing N N 130
827
+ PSU "C2'" "O2'" sing N N 131
828
+ PSU "C2'" "C3'" sing N N 132
829
+ PSU "C2'" "H2'" sing N N 133
830
+ PSU "O2'" "HO2'" sing N N 134
831
+ PSU "C3'" "C4'" sing N N 135
832
+ PSU "C3'" "O3'" sing N N 136
833
+ PSU "C3'" "H3'" sing N N 137
834
+ PSU "C4'" "O4'" sing N N 138
835
+ PSU "C4'" "C5'" sing N N 139
836
+ PSU "C4'" "H4'" sing N N 140
837
+ PSU "O3'" "HO3'" sing N N 141
838
+ PSU "C5'" "O5'" sing N N 142
839
+ PSU "C5'" "H5'" sing N N 143
840
+ PSU "C5'" "H5''" sing N N 144
841
+ PSU "O5'" P sing N N 145
842
+ PSU P OP1 doub N N 146
843
+ PSU P OP2 sing N N 147
844
+ PSU P OP3 sing N N 148
845
+ PSU OP2 HOP2 sing N N 149
846
+ PSU OP3 HOP3 sing N N 150
847
+ U OP3 P sing N N 151
848
+ U OP3 HOP3 sing N N 152
849
+ U P OP1 doub N N 153
850
+ U P OP2 sing N N 154
851
+ U P "O5'" sing N N 155
852
+ U OP2 HOP2 sing N N 156
853
+ U "O5'" "C5'" sing N N 157
854
+ U "C5'" "C4'" sing N N 158
855
+ U "C5'" "H5'" sing N N 159
856
+ U "C5'" "H5''" sing N N 160
857
+ U "C4'" "O4'" sing N N 161
858
+ U "C4'" "C3'" sing N N 162
859
+ U "C4'" "H4'" sing N N 163
860
+ U "O4'" "C1'" sing N N 164
861
+ U "C3'" "O3'" sing N N 165
862
+ U "C3'" "C2'" sing N N 166
863
+ U "C3'" "H3'" sing N N 167
864
+ U "O3'" "HO3'" sing N N 168
865
+ U "C2'" "O2'" sing N N 169
866
+ U "C2'" "C1'" sing N N 170
867
+ U "C2'" "H2'" sing N N 171
868
+ U "O2'" "HO2'" sing N N 172
869
+ U "C1'" N1 sing N N 173
870
+ U "C1'" "H1'" sing N N 174
871
+ U N1 C2 sing N N 175
872
+ U N1 C6 sing N N 176
873
+ U C2 O2 doub N N 177
874
+ U C2 N3 sing N N 178
875
+ U N3 C4 sing N N 179
876
+ U N3 H3 sing N N 180
877
+ U C4 O4 doub N N 181
878
+ U C4 C5 sing N N 182
879
+ U C5 C6 doub N N 183
880
+ U C5 H5 sing N N 184
881
+ U C6 H6 sing N N 185
882
+ #
883
+ loop_
884
+ _ndb_struct_conf_na.entry_id
885
+ _ndb_struct_conf_na.feature
886
+ 1BZT 'a-form double helix'
887
+ 1BZT 'hairpin loop'
888
+ 1BZT 'mismatched base pair'
889
+ #
890
+ loop_
891
+ _ndb_struct_na_base_pair.model_number
892
+ _ndb_struct_na_base_pair.i_label_asym_id
893
+ _ndb_struct_na_base_pair.i_label_comp_id
894
+ _ndb_struct_na_base_pair.i_label_seq_id
895
+ _ndb_struct_na_base_pair.i_symmetry
896
+ _ndb_struct_na_base_pair.j_label_asym_id
897
+ _ndb_struct_na_base_pair.j_label_comp_id
898
+ _ndb_struct_na_base_pair.j_label_seq_id
899
+ _ndb_struct_na_base_pair.j_symmetry
900
+ _ndb_struct_na_base_pair.shear
901
+ _ndb_struct_na_base_pair.stretch
902
+ _ndb_struct_na_base_pair.stagger
903
+ _ndb_struct_na_base_pair.buckle
904
+ _ndb_struct_na_base_pair.propeller
905
+ _ndb_struct_na_base_pair.opening
906
+ _ndb_struct_na_base_pair.pair_number
907
+ _ndb_struct_na_base_pair.pair_name
908
+ _ndb_struct_na_base_pair.i_auth_asym_id
909
+ _ndb_struct_na_base_pair.i_auth_seq_id
910
+ _ndb_struct_na_base_pair.i_PDB_ins_code
911
+ _ndb_struct_na_base_pair.j_auth_asym_id
912
+ _ndb_struct_na_base_pair.j_auth_seq_id
913
+ _ndb_struct_na_base_pair.j_PDB_ins_code
914
+ _ndb_struct_na_base_pair.hbond_type_28
915
+ _ndb_struct_na_base_pair.hbond_type_12
916
+ 1 A U 1 1_555 A A 17 1_555 -0.844 -0.076 -0.248 -20.994 3.148 -2.981 1 A_U27:A43_A A 27 ? A 43 ? 20 1
917
+ 1 A C 2 1_555 A G 16 1_555 -0.700 -0.199 -0.116 -5.938 -11.676 -1.043 2 A_C28:G42_A A 28 ? A 42 ? 19 1
918
+ 1 A A 3 1_555 A U 15 1_555 -0.866 -0.327 0.513 8.894 3.472 -0.263 3 A_A29:U41_A A 29 ? A 41 ? 20 1
919
+ 1 A G 4 1_555 A C 14 1_555 0.305 -0.450 -1.340 -6.105 -10.064 0.302 4 A_G30:C40_A A 30 ? A 40 ? 19 1
920
+ 1 A A 5 1_555 A PSU 13 1_555 -1.141 -0.030 0.452 4.783 -9.172 -3.265 5 A_A31:PSU39_A A 31 ? A 39 ? 21 1
921
+ 1 A C 6 1_555 A A 12 1_555 1.646 -0.498 0.099 16.314 -23.166 0.261 6 A_C32:A38_A A 32 ? A 38 ? ? 1
922
+ #
923
+ loop_
924
+ _ndb_struct_na_base_pair_step.model_number
925
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
926
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
927
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
928
+ _ndb_struct_na_base_pair_step.i_symmetry_1
929
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
930
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
931
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
932
+ _ndb_struct_na_base_pair_step.j_symmetry_1
933
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
934
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
935
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
936
+ _ndb_struct_na_base_pair_step.i_symmetry_2
937
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
938
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
939
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
940
+ _ndb_struct_na_base_pair_step.j_symmetry_2
941
+ _ndb_struct_na_base_pair_step.shift
942
+ _ndb_struct_na_base_pair_step.slide
943
+ _ndb_struct_na_base_pair_step.rise
944
+ _ndb_struct_na_base_pair_step.tilt
945
+ _ndb_struct_na_base_pair_step.roll
946
+ _ndb_struct_na_base_pair_step.twist
947
+ _ndb_struct_na_base_pair_step.x_displacement
948
+ _ndb_struct_na_base_pair_step.y_displacement
949
+ _ndb_struct_na_base_pair_step.helical_rise
950
+ _ndb_struct_na_base_pair_step.inclination
951
+ _ndb_struct_na_base_pair_step.tip
952
+ _ndb_struct_na_base_pair_step.helical_twist
953
+ _ndb_struct_na_base_pair_step.step_number
954
+ _ndb_struct_na_base_pair_step.step_name
955
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
956
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
957
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
958
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
959
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
960
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
961
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
962
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
963
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
964
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
965
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
966
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
967
+ 1 A U 1 1_555 A A 17 1_555 A C 2 1_555 A G 16 1_555 0.096 -2.051 2.855 0.434 6.085 28.863 -5.079 -0.114 2.383 12.039 -0.858
968
+ 29.487 1 AA_U27C28:G42A43_AA A 27 ? A 43 ? A 28 ? A 42 ?
969
+ 1 A C 2 1_555 A G 16 1_555 A A 3 1_555 A U 15 1_555 0.231 -2.193 2.942 -7.318 -0.269 26.957 -4.488 -2.038 2.805 -0.564 15.342
970
+ 27.916 2 AA_C28A29:U41G42_AA A 28 ? A 42 ? A 29 ? A 41 ?
971
+ 1 A A 3 1_555 A U 15 1_555 A G 4 1_555 A C 14 1_555 -0.140 -2.178 4.362 10.014 5.697 31.636 -4.952 2.328 3.711 10.042
972
+ -17.653 33.618 3 AA_A29G30:C40U41_AA A 29 ? A 41 ? A 30 ? A 40 ?
973
+ 1 A G 4 1_555 A C 14 1_555 A A 5 1_555 A PSU 13 1_555 -0.294 -2.269 2.891 -9.314 9.373 25.028 -6.354 -1.093 1.921 19.951 19.826
974
+ 28.252 4 AA_G30A31:PSU39C40_AA A 30 ? A 40 ? A 31 ? A 39 ?
975
+ 1 A A 5 1_555 A PSU 13 1_555 A C 6 1_555 A A 12 1_555 -0.211 -1.433 2.719 0.385 7.532 40.314 -2.698 0.335 2.422 10.814 -0.553
976
+ 40.984 5 AA_A31C32:A38PSU39_AA A 31 ? A 39 ? A 32 ? A 38 ?
977
+ #
978
+ _pdbx_nmr_spectrometer.spectrometer_id 1
979
+ _pdbx_nmr_spectrometer.model 'UNITY 500'
980
+ _pdbx_nmr_spectrometer.manufacturer Varian
981
+ _pdbx_nmr_spectrometer.field_strength 500
982
+ #
983
+ _atom_sites.entry_id 1BZT
984
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
985
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
986
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
987
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
988
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
989
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
990
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
991
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
992
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
993
+ _atom_sites.fract_transf_vector[1] 0.00000
994
+ _atom_sites.fract_transf_vector[2] 0.00000
995
+ _atom_sites.fract_transf_vector[3] 0.00000
996
+ #
997
+ loop_
998
+ _atom_type.symbol
999
+ C
1000
+ H
1001
+ N
1002
+ O
1003
+ P
1004
+ #
1005
+ loop_
1006
+ _atom_site.group_PDB
1007
+ _atom_site.id
1008
+ _atom_site.type_symbol
1009
+ _atom_site.label_atom_id
1010
+ _atom_site.label_alt_id
1011
+ _atom_site.label_comp_id
1012
+ _atom_site.label_asym_id
1013
+ _atom_site.label_entity_id
1014
+ _atom_site.label_seq_id
1015
+ _atom_site.pdbx_PDB_ins_code
1016
+ _atom_site.Cartn_x
1017
+ _atom_site.Cartn_y
1018
+ _atom_site.Cartn_z
1019
+ _atom_site.occupancy
1020
+ _atom_site.B_iso_or_equiv
1021
+ _atom_site.pdbx_formal_charge
1022
+ _atom_site.auth_seq_id
1023
+ _atom_site.auth_comp_id
1024
+ _atom_site.auth_asym_id
1025
+ _atom_site.auth_atom_id
1026
+ _atom_site.pdbx_PDB_model_num
1027
+ ATOM 1 O "O5'" . U A 1 1 ? 4.507 -5.290 3.457 1.00 0.00 ? 27 U A "O5'" 1
1028
+ ATOM 2 C "C5'" . U A 1 1 ? 5.536 -6.178 3.081 1.00 0.00 ? 27 U A "C5'" 1
1029
+ ATOM 3 C "C4'" . U A 1 1 ? 6.912 -5.505 3.065 1.00 0.00 ? 27 U A "C4'" 1
1030
+ ATOM 4 O "O4'" . U A 1 1 ? 7.017 -4.488 2.067 1.00 0.00 ? 27 U A "O4'" 1
1031
+ ATOM 5 C "C3'" . U A 1 1 ? 7.295 -4.835 4.379 1.00 0.00 ? 27 U A "C3'" 1
1032
+ ATOM 6 O "O3'" . U A 1 1 ? 7.797 -5.750 5.330 1.00 0.00 ? 27 U A "O3'" 1
1033
+ ATOM 7 C "C2'" . U A 1 1 ? 8.369 -3.886 3.876 1.00 0.00 ? 27 U A "C2'" 1
1034
+ ATOM 8 O "O2'" . U A 1 1 ? 9.541 -4.602 3.554 1.00 0.00 ? 27 U A "O2'" 1
1035
+ ATOM 9 C "C1'" . U A 1 1 ? 7.740 -3.365 2.582 1.00 0.00 ? 27 U A "C1'" 1
1036
+ ATOM 10 N N1 . U A 1 1 ? 6.884 -2.170 2.846 1.00 0.00 ? 27 U A N1 1
1037
+ ATOM 11 C C2 . U A 1 1 ? 7.543 -0.998 3.198 1.00 0.00 ? 27 U A C2 1
1038
+ ATOM 12 O O2 . U A 1 1 ? 8.767 -0.932 3.299 1.00 0.00 ? 27 U A O2 1
1039
+ ATOM 13 N N3 . U A 1 1 ? 6.753 0.115 3.439 1.00 0.00 ? 27 U A N3 1
1040
+ ATOM 14 C C4 . U A 1 1 ? 5.375 0.178 3.322 1.00 0.00 ? 27 U A C4 1
1041
+ ATOM 15 O O4 . U A 1 1 ? 4.768 1.216 3.579 1.00 0.00 ? 27 U A O4 1
1042
+ ATOM 16 C C5 . U A 1 1 ? 4.776 -1.056 2.876 1.00 0.00 ? 27 U A C5 1
1043
+ ATOM 17 C C6 . U A 1 1 ? 5.523 -2.161 2.656 1.00 0.00 ? 27 U A C6 1
1044
+ ATOM 18 H "H5'" . U A 1 1 ? 5.322 -6.574 2.088 1.00 0.00 ? 27 U A "H5'" 1
1045
+ ATOM 19 H "H5''" . U A 1 1 ? 5.559 -7.003 3.794 1.00 0.00 ? 27 U A "H5''" 1
1046
+ ATOM 20 H "H4'" . U A 1 1 ? 7.625 -6.312 2.870 1.00 0.00 ? 27 U A "H4'" 1
1047
+ ATOM 21 H "H3'" . U A 1 1 ? 6.464 -4.259 4.785 1.00 0.00 ? 27 U A "H3'" 1
1048
+ ATOM 22 H "H2'" . U A 1 1 ? 8.594 -3.119 4.611 1.00 0.00 ? 27 U A "H2'" 1
1049
+ ATOM 23 H "HO2'" . U A 1 1 ? 9.354 -5.188 2.818 1.00 0.00 ? 27 U A "HO2'" 1
1050
+ ATOM 24 H "H1'" . U A 1 1 ? 8.513 -3.039 1.876 1.00 0.00 ? 27 U A "H1'" 1
1051
+ ATOM 25 H H3 . U A 1 1 ? 7.227 0.961 3.721 1.00 0.00 ? 27 U A H3 1
1052
+ ATOM 26 H H5 . U A 1 1 ? 3.709 -1.098 2.715 1.00 0.00 ? 27 U A H5 1
1053
+ ATOM 27 H H6 . U A 1 1 ? 4.993 -3.029 2.302 1.00 0.00 ? 27 U A H6 1
1054
+ ATOM 28 H "HO5'" . U A 1 1 ? 3.675 -5.769 3.453 1.00 0.00 ? 27 U A "HO5'" 1
1055
+ ATOM 29 P P . C A 1 2 ? 7.769 -5.408 6.908 1.00 0.00 ? 28 C A P 1
1056
+ ATOM 30 O OP1 . C A 1 2 ? 8.405 -6.531 7.632 1.00 0.00 ? 28 C A OP1 1
1057
+ ATOM 31 O OP2 . C A 1 2 ? 6.391 -4.999 7.260 1.00 0.00 ? 28 C A OP2 1
1058
+ ATOM 32 O "O5'" . C A 1 2 ? 8.723 -4.118 7.059 1.00 0.00 ? 28 C A "O5'" 1
1059
+ ATOM 33 C "C5'" . C A 1 2 ? 10.124 -4.244 6.993 1.00 0.00 ? 28 C A "C5'" 1
1060
+ ATOM 34 C "C4'" . C A 1 2 ? 10.803 -2.883 7.150 1.00 0.00 ? 28 C A "C4'" 1
1061
+ ATOM 35 O "O4'" . C A 1 2 ? 10.356 -1.968 6.164 1.00 0.00 ? 28 C A "O4'" 1
1062
+ ATOM 36 C "C3'" . C A 1 2 ? 10.511 -2.184 8.473 1.00 0.00 ? 28 C A "C3'" 1
1063
+ ATOM 37 O "O3'" . C A 1 2 ? 11.232 -2.716 9.565 1.00 0.00 ? 28 C A "O3'" 1
1064
+ ATOM 38 C "C2'" . C A 1 2 ? 10.979 -0.783 8.112 1.00 0.00 ? 28 C A "C2'" 1
1065
+ ATOM 39 O "O2'" . C A 1 2 ? 12.388 -0.716 8.060 1.00 0.00 ? 28 C A "O2'" 1
1066
+ ATOM 40 C "C1'" . C A 1 2 ? 10.418 -0.650 6.698 1.00 0.00 ? 28 C A "C1'" 1
1067
+ ATOM 41 N N1 . C A 1 2 ? 9.097 0.033 6.762 1.00 0.00 ? 28 C A N1 1
1068
+ ATOM 42 C C2 . C A 1 2 ? 9.105 1.407 6.964 1.00 0.00 ? 28 C A C2 1
1069
+ ATOM 43 O O2 . C A 1 2 ? 10.163 2.018 7.099 1.00 0.00 ? 28 C A O2 1
1070
+ ATOM 44 N N3 . C A 1 2 ? 7.916 2.059 7.022 1.00 0.00 ? 28 C A N3 1
1071
+ ATOM 45 C C4 . C A 1 2 ? 6.754 1.407 6.907 1.00 0.00 ? 28 C A C4 1
1072
+ ATOM 46 N N4 . C A 1 2 ? 5.608 2.098 6.967 1.00 0.00 ? 28 C A N4 1
1073
+ ATOM 47 C C5 . C A 1 2 ? 6.722 -0.012 6.742 1.00 0.00 ? 28 C A C5 1
1074
+ ATOM 48 C C6 . C A 1 2 ? 7.911 -0.647 6.677 1.00 0.00 ? 28 C A C6 1
1075
+ ATOM 49 H "H5'" . C A 1 2 ? 10.402 -4.673 6.030 1.00 0.00 ? 28 C A "H5'" 1
1076
+ ATOM 50 H "H5''" . C A 1 2 ? 10.463 -4.907 7.789 1.00 0.00 ? 28 C A "H5''" 1
1077
+ ATOM 51 H "H4'" . C A 1 2 ? 11.878 -3.026 7.042 1.00 0.00 ? 28 C A "H4'" 1
1078
+ ATOM 52 H "H3'" . C A 1 2 ? 9.439 -2.173 8.667 1.00 0.00 ? 28 C A "H3'" 1
1079
+ ATOM 53 H "H2'" . C A 1 2 ? 10.598 -0.032 8.798 1.00 0.00 ? 28 C A "H2'" 1
1080
+ ATOM 54 H "HO2'" . C A 1 2 ? 12.640 0.159 7.757 1.00 0.00 ? 28 C A "HO2'" 1
1081
+ ATOM 55 H "H1'" . C A 1 2 ? 11.087 -0.073 6.064 1.00 0.00 ? 28 C A "H1'" 1
1082
+ ATOM 56 H H41 . C A 1 2 ? 5.627 3.101 7.089 1.00 0.00 ? 28 C A H41 1
1083
+ ATOM 57 H H42 . C A 1 2 ? 4.724 1.617 6.888 1.00 0.00 ? 28 C A H42 1
1084
+ ATOM 58 H H5 . C A 1 2 ? 5.807 -0.580 6.670 1.00 0.00 ? 28 C A H5 1
1085
+ ATOM 59 H H6 . C A 1 2 ? 7.892 -1.714 6.568 1.00 0.00 ? 28 C A H6 1
1086
+ ATOM 60 P P . A A 1 3 ? 10.754 -2.439 11.084 1.00 0.00 ? 29 A A P 1
1087
+ ATOM 61 O OP1 . A A 1 3 ? 11.703 -3.120 11.993 1.00 0.00 ? 29 A A OP1 1
1088
+ ATOM 62 O OP2 . A A 1 3 ? 9.309 -2.748 11.173 1.00 0.00 ? 29 A A OP2 1
1089
+ ATOM 63 O "O5'" . A A 1 3 ? 10.937 -0.850 11.279 1.00 0.00 ? 29 A A "O5'" 1
1090
+ ATOM 64 C "C5'" . A A 1 3 ? 12.219 -0.302 11.479 1.00 0.00 ? 29 A A "C5'" 1
1091
+ ATOM 65 C "C4'" . A A 1 3 ? 12.140 1.216 11.628 1.00 0.00 ? 29 A A "C4'" 1
1092
+ ATOM 66 O "O4'" . A A 1 3 ? 11.452 1.798 10.536 1.00 0.00 ? 29 A A "O4'" 1
1093
+ ATOM 67 C "C3'" . A A 1 3 ? 11.358 1.673 12.854 1.00 0.00 ? 29 A A "C3'" 1
1094
+ ATOM 68 O "O3'" . A A 1 3 ? 12.083 1.539 14.059 1.00 0.00 ? 29 A A "O3'" 1
1095
+ ATOM 69 C "C2'" . A A 1 3 ? 11.158 3.132 12.470 1.00 0.00 ? 29 A A "C2'" 1
1096
+ ATOM 70 O "O2'" . A A 1 3 ? 12.348 3.866 12.658 1.00 0.00 ? 29 A A "O2'" 1
1097
+ ATOM 71 C "C1'" . A A 1 3 ? 10.877 3.018 10.980 1.00 0.00 ? 29 A A "C1'" 1
1098
+ ATOM 72 N N9 . A A 1 3 ? 9.418 3.029 10.767 1.00 0.00 ? 29 A A N9 1
1099
+ ATOM 73 C C8 . A A 1 3 ? 8.583 1.983 10.483 1.00 0.00 ? 29 A A C8 1
1100
+ ATOM 74 N N7 . A A 1 3 ? 7.330 2.323 10.358 1.00 0.00 ? 29 A A N7 1
1101
+ ATOM 75 C C5 . A A 1 3 ? 7.335 3.697 10.579 1.00 0.00 ? 29 A A C5 1
1102
+ ATOM 76 C C6 . A A 1 3 ? 6.317 4.665 10.591 1.00 0.00 ? 29 A A C6 1
1103
+ ATOM 77 N N6 . A A 1 3 ? 5.028 4.380 10.358 1.00 0.00 ? 29 A A N6 1
1104
+ ATOM 78 N N1 . A A 1 3 ? 6.670 5.932 10.851 1.00 0.00 ? 29 A A N1 1
1105
+ ATOM 79 C C2 . A A 1 3 ? 7.944 6.215 11.083 1.00 0.00 ? 29 A A C2 1
1106
+ ATOM 80 N N3 . A A 1 3 ? 8.991 5.404 11.100 1.00 0.00 ? 29 A A N3 1
1107
+ ATOM 81 C C4 . A A 1 3 ? 8.606 4.135 10.835 1.00 0.00 ? 29 A A C4 1
1108
+ ATOM 82 H "H5'" . A A 1 3 ? 12.853 -0.546 10.627 1.00 0.00 ? 29 A A "H5'" 1
1109
+ ATOM 83 H "H5''" . A A 1 3 ? 12.657 -0.729 12.381 1.00 0.00 ? 29 A A "H5''" 1
1110
+ ATOM 84 H "H4'" . A A 1 3 ? 13.153 1.616 11.672 1.00 0.00 ? 29 A A "H4'" 1
1111
+ ATOM 85 H "H3'" . A A 1 3 ? 10.401 1.155 12.895 1.00 0.00 ? 29 A A "H3'" 1
1112
+ ATOM 86 H "H2'" . A A 1 3 ? 10.333 3.608 12.989 1.00 0.00 ? 29 A A "H2'" 1
1113
+ ATOM 87 H "HO2'" . A A 1 3 ? 12.210 4.758 12.330 1.00 0.00 ? 29 A A "HO2'" 1
1114
+ ATOM 88 H "H1'" . A A 1 3 ? 11.307 3.864 10.458 1.00 0.00 ? 29 A A "H1'" 1
1115
+ ATOM 89 H H8 . A A 1 3 ? 8.943 0.974 10.377 1.00 0.00 ? 29 A A H8 1
1116
+ ATOM 90 H H61 . A A 1 3 ? 4.337 5.116 10.379 1.00 0.00 ? 29 A A H61 1
1117
+ ATOM 91 H H62 . A A 1 3 ? 4.749 3.430 10.161 1.00 0.00 ? 29 A A H62 1
1118
+ ATOM 92 H H2 . A A 1 3 ? 8.162 7.254 11.288 1.00 0.00 ? 29 A A H2 1
1119
+ ATOM 93 P P . G A 1 4 ? 11.329 1.559 15.489 1.00 0.00 ? 30 G A P 1
1120
+ ATOM 94 O OP1 . G A 1 4 ? 12.347 1.361 16.545 1.00 0.00 ? 30 G A OP1 1
1121
+ ATOM 95 O OP2 . G A 1 4 ? 10.171 0.641 15.410 1.00 0.00 ? 30 G A OP2 1
1122
+ ATOM 96 O "O5'" . G A 1 4 ? 10.765 3.062 15.624 1.00 0.00 ? 30 G A "O5'" 1
1123
+ ATOM 97 C "C5'" . G A 1 4 ? 11.628 4.122 15.965 1.00 0.00 ? 30 G A "C5'" 1
1124
+ ATOM 98 C "C4'" . G A 1 4 ? 10.875 5.451 15.945 1.00 0.00 ? 30 G A "C4'" 1
1125
+ ATOM 99 O "O4'" . G A 1 4 ? 10.155 5.612 14.737 1.00 0.00 ? 30 G A "O4'" 1
1126
+ ATOM 100 C "C3'" . G A 1 4 ? 9.833 5.588 17.047 1.00 0.00 ? 30 G A "C3'" 1
1127
+ ATOM 101 O "O3'" . G A 1 4 ? 10.429 5.867 18.299 1.00 0.00 ? 30 G A "O3'" 1
1128
+ ATOM 102 C "C2'" . G A 1 4 ? 9.039 6.760 16.489 1.00 0.00 ? 30 G A "C2'" 1
1129
+ ATOM 103 O "O2'" . G A 1 4 ? 9.723 7.978 16.689 1.00 0.00 ? 30 G A "O2'" 1
1130
+ ATOM 104 C "C1'" . G A 1 4 ? 9.021 6.426 14.997 1.00 0.00 ? 30 G A "C1'" 1
1131
+ ATOM 105 N N9 . G A 1 4 ? 7.784 5.686 14.689 1.00 0.00 ? 30 G A N9 1
1132
+ ATOM 106 C C8 . G A 1 4 ? 7.612 4.340 14.518 1.00 0.00 ? 30 G A C8 1
1133
+ ATOM 107 N N7 . G A 1 4 ? 6.388 3.990 14.243 1.00 0.00 ? 30 G A N7 1
1134
+ ATOM 108 C C5 . G A 1 4 ? 5.693 5.194 14.239 1.00 0.00 ? 30 G A C5 1
1135
+ ATOM 109 C C6 . G A 1 4 ? 4.315 5.444 14.005 1.00 0.00 ? 30 G A C6 1
1136
+ ATOM 110 O O6 . G A 1 4 ? 3.429 4.636 13.736 1.00 0.00 ? 30 G A O6 1
1137
+ ATOM 111 N N1 . G A 1 4 ? 4.019 6.795 14.114 1.00 0.00 ? 30 G A N1 1
1138
+ ATOM 112 C C2 . G A 1 4 ? 4.931 7.787 14.409 1.00 0.00 ? 30 G A C2 1
1139
+ ATOM 113 N N2 . G A 1 4 ? 4.453 9.036 14.491 1.00 0.00 ? 30 G A N2 1
1140
+ ATOM 114 N N3 . G A 1 4 ? 6.232 7.554 14.619 1.00 0.00 ? 30 G A N3 1
1141
+ ATOM 115 C C4 . G A 1 4 ? 6.537 6.238 14.519 1.00 0.00 ? 30 G A C4 1
1142
+ ATOM 116 H "H5'" . G A 1 4 ? 12.445 4.165 15.247 1.00 0.00 ? 30 G A "H5'" 1
1143
+ ATOM 117 H "H5''" . G A 1 4 ? 12.038 3.953 16.960 1.00 0.00 ? 30 G A "H5''" 1
1144
+ ATOM 118 H "H4'" . G A 1 4 ? 11.598 6.260 16.043 1.00 0.00 ? 30 G A "H4'" 1
1145
+ ATOM 119 H "H3'" . G A 1 4 ? 9.198 4.703 17.084 1.00 0.00 ? 30 G A "H3'" 1
1146
+ ATOM 120 H "H2'" . G A 1 4 ? 8.039 6.812 16.915 1.00 0.00 ? 30 G A "H2'" 1
1147
+ ATOM 121 H "HO2'" . G A 1 4 ? 10.510 7.989 16.140 1.00 0.00 ? 30 G A "HO2'" 1
1148
+ ATOM 122 H "H1'" . G A 1 4 ? 9.053 7.315 14.372 1.00 0.00 ? 30 G A "H1'" 1
1149
+ ATOM 123 H H8 . G A 1 4 ? 8.425 3.641 14.605 1.00 0.00 ? 30 G A H8 1
1150
+ ATOM 124 H H1 . G A 1 4 ? 3.056 7.063 13.973 1.00 0.00 ? 30 G A H1 1
1151
+ ATOM 125 H H21 . G A 1 4 ? 3.467 9.211 14.352 1.00 0.00 ? 30 G A H21 1
1152
+ ATOM 126 H H22 . G A 1 4 ? 5.076 9.802 14.705 1.00 0.00 ? 30 G A H22 1
1153
+ ATOM 127 P P . A A 1 5 ? 9.632 5.643 19.687 1.00 0.00 ? 31 A A P 1
1154
+ ATOM 128 O OP1 . A A 1 5 ? 10.581 5.876 20.799 1.00 0.00 ? 31 A A OP1 1
1155
+ ATOM 129 O OP2 . A A 1 5 ? 8.907 4.354 19.605 1.00 0.00 ? 31 A A OP2 1
1156
+ ATOM 130 O "O5'" . A A 1 5 ? 8.544 6.827 19.716 1.00 0.00 ? 31 A A "O5'" 1
1157
+ ATOM 131 C "C5'" . A A 1 5 ? 8.937 8.149 20.000 1.00 0.00 ? 31 A A "C5'" 1
1158
+ ATOM 132 C "C4'" . A A 1 5 ? 7.740 9.097 19.958 1.00 0.00 ? 31 A A "C4'" 1
1159
+ ATOM 133 O "O4'" . A A 1 5 ? 7.031 8.979 18.721 1.00 0.00 ? 31 A A "O4'" 1
1160
+ ATOM 134 C "C3'" . A A 1 5 ? 6.704 8.820 21.041 1.00 0.00 ? 31 A A "C3'" 1
1161
+ ATOM 135 O "O3'" . A A 1 5 ? 7.027 9.427 22.277 1.00 0.00 ? 31 A A "O3'" 1
1162
+ ATOM 136 C "C2'" . A A 1 5 ? 5.481 9.475 20.419 1.00 0.00 ? 31 A A "C2'" 1
1163
+ ATOM 137 O "O2'" . A A 1 5 ? 5.534 10.872 20.606 1.00 0.00 ? 31 A A "O2'" 1
1164
+ ATOM 138 C "C1'" . A A 1 5 ? 5.629 9.152 18.942 1.00 0.00 ? 31 A A "C1'" 1
1165
+ ATOM 139 N N9 . A A 1 5 ? 4.822 7.957 18.643 1.00 0.00 ? 31 A A N9 1
1166
+ ATOM 140 C C8 . A A 1 5 ? 5.228 6.674 18.433 1.00 0.00 ? 31 A A C8 1
1167
+ ATOM 141 N N7 . A A 1 5 ? 4.289 5.872 18.013 1.00 0.00 ? 31 A A N7 1
1168
+ ATOM 142 C C5 . A A 1 5 ? 3.158 6.682 17.981 1.00 0.00 ? 31 A A C5 1
1169
+ ATOM 143 C C6 . A A 1 5 ? 1.822 6.440 17.620 1.00 0.00 ? 31 A A C6 1
1170
+ ATOM 144 N N6 . A A 1 5 ? 1.392 5.257 17.153 1.00 0.00 ? 31 A A N6 1
1171
+ ATOM 145 N N1 . A A 1 5 ? 0.946 7.441 17.801 1.00 0.00 ? 31 A A N1 1
1172
+ ATOM 146 C C2 . A A 1 5 ? 1.378 8.607 18.267 1.00 0.00 ? 31 A A C2 1
1173
+ ATOM 147 N N3 . A A 1 5 ? 2.609 8.975 18.586 1.00 0.00 ? 31 A A N3 1
1174
+ ATOM 148 C C4 . A A 1 5 ? 3.466 7.943 18.417 1.00 0.00 ? 31 A A C4 1
1175
+ ATOM 149 H "H5'" . A A 1 5 ? 9.672 8.469 19.263 1.00 0.00 ? 31 A A "H5'" 1
1176
+ ATOM 150 H "H5''" . A A 1 5 ? 9.388 8.186 20.992 1.00 0.00 ? 31 A A "H5''" 1
1177
+ ATOM 151 H "H4'" . A A 1 5 ? 8.156 10.099 20.121 1.00 0.00 ? 31 A A "H4'" 1
1178
+ ATOM 152 H "H3'" . A A 1 5 ? 6.551 7.746 21.147 1.00 0.00 ? 31 A A "H3'" 1
1179
+ ATOM 153 H "H2'" . A A 1 5 ? 4.565 9.042 20.795 1.00 0.00 ? 31 A A "H2'" 1
1180
+ ATOM 154 H "HO2'" . A A 1 5 ? 4.787 11.268 20.150 1.00 0.00 ? 31 A A "HO2'" 1
1181
+ ATOM 155 H "H1'" . A A 1 5 ? 5.184 9.898 18.285 1.00 0.00 ? 31 A A "H1'" 1
1182
+ ATOM 156 H H8 . A A 1 5 ? 6.245 6.394 18.600 1.00 0.00 ? 31 A A H8 1
1183
+ ATOM 157 H H61 . A A 1 5 ? 0.422 5.113 16.906 1.00 0.00 ? 31 A A H61 1
1184
+ ATOM 158 H H62 . A A 1 5 ? 2.052 4.501 17.038 1.00 0.00 ? 31 A A H62 1
1185
+ ATOM 159 H H2 . A A 1 5 ? 0.622 9.365 18.419 1.00 0.00 ? 31 A A H2 1
1186
+ ATOM 160 P P . C A 1 6 ? 6.413 8.876 23.667 1.00 0.00 ? 32 C A P 1
1187
+ ATOM 161 O OP1 . C A 1 6 ? 6.830 9.797 24.748 1.00 0.00 ? 32 C A OP1 1
1188
+ ATOM 162 O OP2 . C A 1 6 ? 6.748 7.437 23.765 1.00 0.00 ? 32 C A OP2 1
1189
+ ATOM 163 O "O5'" . C A 1 6 ? 4.813 8.997 23.503 1.00 0.00 ? 32 C A "O5'" 1
1190
+ ATOM 164 C "C5'" . C A 1 6 ? 4.136 10.217 23.705 1.00 0.00 ? 32 C A "C5'" 1
1191
+ ATOM 165 C "C4'" . C A 1 6 ? 2.642 10.065 23.395 1.00 0.00 ? 32 C A "C4'" 1
1192
+ ATOM 166 O "O4'" . C A 1 6 ? 2.429 9.689 22.050 1.00 0.00 ? 32 C A "O4'" 1
1193
+ ATOM 167 C "C3'" . C A 1 6 ? 1.895 9.053 24.264 1.00 0.00 ? 32 C A "C3'" 1
1194
+ ATOM 168 O "O3'" . C A 1 6 ? 1.601 9.668 25.507 1.00 0.00 ? 32 C A "O3'" 1
1195
+ ATOM 169 C "C2'" . C A 1 6 ? 0.680 8.819 23.380 1.00 0.00 ? 32 C A "C2'" 1
1196
+ ATOM 170 O "O2'" . C A 1 6 ? -0.317 9.781 23.646 1.00 0.00 ? 32 C A "O2'" 1
1197
+ ATOM 171 C "C1'" . C A 1 6 ? 1.205 8.984 21.957 1.00 0.00 ? 32 C A "C1'" 1
1198
+ ATOM 172 N N1 . C A 1 6 ? 1.423 7.617 21.403 1.00 0.00 ? 32 C A N1 1
1199
+ ATOM 173 C C2 . C A 1 6 ? 0.363 7.006 20.747 1.00 0.00 ? 32 C A C2 1
1200
+ ATOM 174 O O2 . C A 1 6 ? -0.730 7.561 20.650 1.00 0.00 ? 32 C A O2 1
1201
+ ATOM 175 N N3 . C A 1 6 ? 0.557 5.769 20.221 1.00 0.00 ? 32 C A N3 1
1202
+ ATOM 176 C C4 . C A 1 6 ? 1.726 5.130 20.337 1.00 0.00 ? 32 C A C4 1
1203
+ ATOM 177 N N4 . C A 1 6 ? 1.864 3.916 19.787 1.00 0.00 ? 32 C A N4 1
1204
+ ATOM 178 C C5 . C A 1 6 ? 2.814 5.717 21.051 1.00 0.00 ? 32 C A C5 1
1205
+ ATOM 179 C C6 . C A 1 6 ? 2.606 6.942 21.577 1.00 0.00 ? 32 C A C6 1
1206
+ ATOM 180 H "H5'" . C A 1 6 ? 4.560 10.975 23.047 1.00 0.00 ? 32 C A "H5'" 1
1207
+ ATOM 181 H "H5''" . C A 1 6 ? 4.261 10.531 24.741 1.00 0.00 ? 32 C A "H5''" 1
1208
+ ATOM 182 H "H4'" . C A 1 6 ? 2.159 11.030 23.542 1.00 0.00 ? 32 C A "H4'" 1
1209
+ ATOM 183 H "H3'" . C A 1 6 ? 2.401 8.091 24.384 1.00 0.00 ? 32 C A "H3'" 1
1210
+ ATOM 184 H "H2'" . C A 1 6 ? 0.332 7.798 23.484 1.00 0.00 ? 32 C A "H2'" 1
1211
+ ATOM 185 H "HO2'" . C A 1 6 ? -1.048 9.636 23.040 1.00 0.00 ? 32 C A "HO2'" 1
1212
+ ATOM 186 H "H1'" . C A 1 6 ? 0.514 9.582 21.345 1.00 0.00 ? 32 C A "H1'" 1
1213
+ ATOM 187 H H41 . C A 1 6 ? 1.093 3.497 19.287 1.00 0.00 ? 32 C A H41 1
1214
+ ATOM 188 H H42 . C A 1 6 ? 2.740 3.419 19.872 1.00 0.00 ? 32 C A H42 1
1215
+ ATOM 189 H H5 . C A 1 6 ? 3.784 5.248 21.155 1.00 0.00 ? 32 C A H5 1
1216
+ ATOM 190 H H6 . C A 1 6 ? 3.398 7.340 22.183 1.00 0.00 ? 32 C A H6 1
1217
+ ATOM 191 P P . U A 1 7 ? 1.302 8.829 26.857 1.00 0.00 ? 33 U A P 1
1218
+ ATOM 192 O OP1 . U A 1 7 ? 1.307 9.778 27.993 1.00 0.00 ? 33 U A OP1 1
1219
+ ATOM 193 O OP2 . U A 1 7 ? 2.197 7.650 26.888 1.00 0.00 ? 33 U A OP2 1
1220
+ ATOM 194 O "O5'" . U A 1 7 ? -0.205 8.310 26.664 1.00 0.00 ? 33 U A "O5'" 1
1221
+ ATOM 195 C "C5'" . U A 1 7 ? -1.304 9.171 26.853 1.00 0.00 ? 33 U A "C5'" 1
1222
+ ATOM 196 C "C4'" . U A 1 7 ? -2.584 8.491 26.368 1.00 0.00 ? 33 U A "C4'" 1
1223
+ ATOM 197 O "O4'" . U A 1 7 ? -2.323 7.954 25.078 1.00 0.00 ? 33 U A "O4'" 1
1224
+ ATOM 198 C "C3'" . U A 1 7 ? -3.011 7.308 27.251 1.00 0.00 ? 33 U A "C3'" 1
1225
+ ATOM 199 O "O3'" . U A 1 7 ? -4.081 7.579 28.148 1.00 0.00 ? 33 U A "O3'" 1
1226
+ ATOM 200 C "C2'" . U A 1 7 ? -3.370 6.192 26.277 1.00 0.00 ? 33 U A "C2'" 1
1227
+ ATOM 201 O "O2'" . U A 1 7 ? -4.758 5.964 26.277 1.00 0.00 ? 33 U A "O2'" 1
1228
+ ATOM 202 C "C1'" . U A 1 7 ? -3.043 6.742 24.895 1.00 0.00 ? 33 U A "C1'" 1
1229
+ ATOM 203 N N1 . U A 1 7 ? -2.206 5.755 24.169 1.00 0.00 ? 33 U A N1 1
1230
+ ATOM 204 C C2 . U A 1 7 ? -2.743 4.979 23.149 1.00 0.00 ? 33 U A C2 1
1231
+ ATOM 205 O O2 . U A 1 7 ? -3.908 5.071 22.768 1.00 0.00 ? 33 U A O2 1
1232
+ ATOM 206 N N3 . U A 1 7 ? -1.880 4.058 22.569 1.00 0.00 ? 33 U A N3 1
1233
+ ATOM 207 C C4 . U A 1 7 ? -0.568 3.810 22.946 1.00 0.00 ? 33 U A C4 1
1234
+ ATOM 208 O O4 . U A 1 7 ? 0.106 2.966 22.360 1.00 0.00 ? 33 U A O4 1
1235
+ ATOM 209 C C5 . U A 1 7 ? -0.122 4.613 24.059 1.00 0.00 ? 33 U A C5 1
1236
+ ATOM 210 C C6 . U A 1 7 ? -0.935 5.539 24.605 1.00 0.00 ? 33 U A C6 1
1237
+ ATOM 211 H "H5'" . U A 1 7 ? -1.143 10.073 26.262 1.00 0.00 ? 33 U A "H5'" 1
1238
+ ATOM 212 H "H5''" . U A 1 7 ? -1.396 9.440 27.905 1.00 0.00 ? 33 U A "H5''" 1
1239
+ ATOM 213 H "H4'" . U A 1 7 ? -3.334 9.285 26.348 1.00 0.00 ? 33 U A "H4'" 1
1240
+ ATOM 214 H "H3'" . U A 1 7 ? -2.128 6.984 27.801 1.00 0.00 ? 33 U A "H3'" 1
1241
+ ATOM 215 H "H2'" . U A 1 7 ? -2.840 5.277 26.530 1.00 0.00 ? 33 U A "H2'" 1
1242
+ ATOM 216 H "HO2'" . U A 1 7 ? -5.195 6.790 26.065 1.00 0.00 ? 33 U A "HO2'" 1
1243
+ ATOM 217 H "H1'" . U A 1 7 ? -3.970 6.921 24.373 1.00 0.00 ? 33 U A "H1'" 1
1244
+ ATOM 218 H H3 . U A 1 7 ? -2.249 3.504 21.810 1.00 0.00 ? 33 U A H3 1
1245
+ ATOM 219 H H5 . U A 1 7 ? 0.862 4.472 24.480 1.00 0.00 ? 33 U A H5 1
1246
+ ATOM 220 H H6 . U A 1 7 ? -0.616 6.107 25.457 1.00 0.00 ? 33 U A H6 1
1247
+ ATOM 221 P P . U A 1 8 ? -4.517 6.505 29.295 1.00 0.00 ? 34 U A P 1
1248
+ ATOM 222 O OP1 . U A 1 8 ? -4.995 7.275 30.465 1.00 0.00 ? 34 U A OP1 1
1249
+ ATOM 223 O OP2 . U A 1 8 ? -3.407 5.541 29.468 1.00 0.00 ? 34 U A OP2 1
1250
+ ATOM 224 O "O5'" . U A 1 8 ? -5.786 5.685 28.708 1.00 0.00 ? 34 U A "O5'" 1
1251
+ ATOM 225 C "C5'" . U A 1 8 ? -7.111 6.022 29.075 1.00 0.00 ? 34 U A "C5'" 1
1252
+ ATOM 226 C "C4'" . U A 1 8 ? -8.237 5.371 28.244 1.00 0.00 ? 34 U A "C4'" 1
1253
+ ATOM 227 O "O4'" . U A 1 8 ? -8.923 6.418 27.593 1.00 0.00 ? 34 U A "O4'" 1
1254
+ ATOM 228 C "C3'" . U A 1 8 ? -7.886 4.312 27.182 1.00 0.00 ? 34 U A "C3'" 1
1255
+ ATOM 229 O "O3'" . U A 1 8 ? -8.416 3.045 27.524 1.00 0.00 ? 34 U A "O3'" 1
1256
+ ATOM 230 C "C2'" . U A 1 8 ? -8.604 4.770 25.923 1.00 0.00 ? 34 U A "C2'" 1
1257
+ ATOM 231 O "O2'" . U A 1 8 ? -9.461 3.736 25.493 1.00 0.00 ? 34 U A "O2'" 1
1258
+ ATOM 232 C "C1'" . U A 1 8 ? -9.455 5.960 26.367 1.00 0.00 ? 34 U A "C1'" 1
1259
+ ATOM 233 N N1 . U A 1 8 ? -9.238 7.082 25.421 1.00 0.00 ? 34 U A N1 1
1260
+ ATOM 234 C C2 . U A 1 8 ? -10.284 7.577 24.656 1.00 0.00 ? 34 U A C2 1
1261
+ ATOM 235 O O2 . U A 1 8 ? -11.415 7.095 24.668 1.00 0.00 ? 34 U A O2 1
1262
+ ATOM 236 N N3 . U A 1 8 ? -9.980 8.671 23.855 1.00 0.00 ? 34 U A N3 1
1263
+ ATOM 237 C C4 . U A 1 8 ? -8.746 9.299 23.752 1.00 0.00 ? 34 U A C4 1
1264
+ ATOM 238 O O4 . U A 1 8 ? -8.595 10.267 23.010 1.00 0.00 ? 34 U A O4 1
1265
+ ATOM 239 C C5 . U A 1 8 ? -7.717 8.709 24.575 1.00 0.00 ? 34 U A C5 1
1266
+ ATOM 240 C C6 . U A 1 8 ? -7.996 7.652 25.366 1.00 0.00 ? 34 U A C6 1
1267
+ ATOM 241 H "H5'" . U A 1 8 ? -7.221 7.103 28.988 1.00 0.00 ? 34 U A "H5'" 1
1268
+ ATOM 242 H "H5''" . U A 1 8 ? -7.252 5.749 30.121 1.00 0.00 ? 34 U A "H5''" 1
1269
+ ATOM 243 H "H4'" . U A 1 8 ? -8.945 4.910 28.933 1.00 0.00 ? 34 U A "H4'" 1
1270
+ ATOM 244 H "H3'" . U A 1 8 ? -6.832 4.297 26.918 1.00 0.00 ? 34 U A "H3'" 1
1271
+ ATOM 245 H "H2'" . U A 1 8 ? -7.890 4.970 25.126 1.00 0.00 ? 34 U A "H2'" 1
1272
+ ATOM 246 H "HO2'" . U A 1 8 ? -8.928 2.967 25.279 1.00 0.00 ? 34 U A "HO2'" 1
1273
+ ATOM 247 H "H1'" . U A 1 8 ? -10.492 5.656 26.501 1.00 0.00 ? 34 U A "H1'" 1
1274
+ ATOM 248 H H3 . U A 1 8 ? -10.730 9.046 23.293 1.00 0.00 ? 34 U A H3 1
1275
+ ATOM 249 H H5 . U A 1 8 ? -6.709 9.107 24.567 1.00 0.00 ? 34 U A H5 1
1276
+ ATOM 250 H H6 . U A 1 8 ? -7.212 7.197 25.954 1.00 0.00 ? 34 U A H6 1
1277
+ ATOM 251 P P . U A 1 9 ? -7.589 1.953 28.377 1.00 0.00 ? 35 U A P 1
1278
+ ATOM 252 O OP1 . U A 1 9 ? -8.522 0.855 28.715 1.00 0.00 ? 35 U A OP1 1
1279
+ ATOM 253 O OP2 . U A 1 9 ? -6.887 2.670 29.465 1.00 0.00 ? 35 U A OP2 1
1280
+ ATOM 254 O "O5'" . U A 1 9 ? -6.469 1.347 27.384 1.00 0.00 ? 35 U A "O5'" 1
1281
+ ATOM 255 C "C5'" . U A 1 9 ? -6.799 0.770 26.135 1.00 0.00 ? 35 U A "C5'" 1
1282
+ ATOM 256 C "C4'" . U A 1 9 ? -5.764 -0.305 25.795 1.00 0.00 ? 35 U A "C4'" 1
1283
+ ATOM 257 O "O4'" . U A 1 9 ? -4.478 0.261 25.951 1.00 0.00 ? 35 U A "O4'" 1
1284
+ ATOM 258 C "C3'" . U A 1 9 ? -5.840 -1.532 26.733 1.00 0.00 ? 35 U A "C3'" 1
1285
+ ATOM 259 O "O3'" . U A 1 9 ? -6.035 -2.704 25.968 1.00 0.00 ? 35 U A "O3'" 1
1286
+ ATOM 260 C "C2'" . U A 1 9 ? -4.456 -1.587 27.370 1.00 0.00 ? 35 U A "C2'" 1
1287
+ ATOM 261 O "O2'" . U A 1 9 ? -3.952 -2.901 27.438 1.00 0.00 ? 35 U A "O2'" 1
1288
+ ATOM 262 C "C1'" . U A 1 9 ? -3.614 -0.753 26.413 1.00 0.00 ? 35 U A "C1'" 1
1289
+ ATOM 263 N N1 . U A 1 9 ? -2.438 -0.165 27.103 1.00 0.00 ? 35 U A N1 1
1290
+ ATOM 264 C C2 . U A 1 9 ? -1.168 -0.662 26.835 1.00 0.00 ? 35 U A C2 1
1291
+ ATOM 265 O O2 . U A 1 9 ? -0.957 -1.611 26.082 1.00 0.00 ? 35 U A O2 1
1292
+ ATOM 266 N N3 . U A 1 9 ? -0.116 -0.024 27.476 1.00 0.00 ? 35 U A N3 1
1293
+ ATOM 267 C C4 . U A 1 9 ? -0.218 1.039 28.360 1.00 0.00 ? 35 U A C4 1
1294
+ ATOM 268 O O4 . U A 1 9 ? 0.787 1.536 28.862 1.00 0.00 ? 35 U A O4 1
1295
+ ATOM 269 C C5 . U A 1 9 ? -1.574 1.462 28.611 1.00 0.00 ? 35 U A C5 1
1296
+ ATOM 270 C C6 . U A 1 9 ? -2.615 0.861 27.991 1.00 0.00 ? 35 U A C6 1
1297
+ ATOM 271 H "H5'" . U A 1 9 ? -6.772 1.552 25.376 1.00 0.00 ? 35 U A "H5'" 1
1298
+ ATOM 272 H "H5''" . U A 1 9 ? -7.794 0.326 26.138 1.00 0.00 ? 35 U A "H5''" 1
1299
+ ATOM 273 H "H4'" . U A 1 9 ? -5.886 -0.595 24.745 1.00 0.00 ? 35 U A "H4'" 1
1300
+ ATOM 274 H "H3'" . U A 1 9 ? -6.603 -1.411 27.501 1.00 0.00 ? 35 U A "H3'" 1
1301
+ ATOM 275 H "H2'" . U A 1 9 ? -4.506 -1.145 28.364 1.00 0.00 ? 35 U A "H2'" 1
1302
+ ATOM 276 H "HO2'" . U A 1 9 ? -3.933 -3.266 26.551 1.00 0.00 ? 35 U A "HO2'" 1
1303
+ ATOM 277 H "H1'" . U A 1 9 ? -3.360 -1.369 25.551 1.00 0.00 ? 35 U A "H1'" 1
1304
+ ATOM 278 H H3 . U A 1 9 ? 0.814 -0.367 27.280 1.00 0.00 ? 35 U A H3 1
1305
+ ATOM 279 H H5 . U A 1 9 ? -1.754 2.276 29.298 1.00 0.00 ? 35 U A H5 1
1306
+ ATOM 280 H H6 . U A 1 9 ? -3.620 1.192 28.214 1.00 0.00 ? 35 U A H6 1
1307
+ ATOM 281 P P . U A 1 10 ? -6.671 -4.091 26.553 1.00 0.00 ? 36 U A P 1
1308
+ ATOM 282 O OP1 . U A 1 10 ? -8.143 -4.031 26.410 1.00 0.00 ? 36 U A OP1 1
1309
+ ATOM 283 O OP2 . U A 1 10 ? -6.066 -4.402 27.867 1.00 0.00 ? 36 U A OP2 1
1310
+ ATOM 284 O "O5'" . U A 1 10 ? -6.086 -5.125 25.454 1.00 0.00 ? 36 U A "O5'" 1
1311
+ ATOM 285 C "C5'" . U A 1 10 ? -6.483 -4.957 24.119 1.00 0.00 ? 36 U A "C5'" 1
1312
+ ATOM 286 C "C4'" . U A 1 10 ? -5.439 -5.271 23.046 1.00 0.00 ? 36 U A "C4'" 1
1313
+ ATOM 287 O "O4'" . U A 1 10 ? -4.212 -4.961 23.749 1.00 0.00 ? 36 U A "O4'" 1
1314
+ ATOM 288 C "C3'" . U A 1 10 ? -5.155 -6.575 22.337 1.00 0.00 ? 36 U A "C3'" 1
1315
+ ATOM 289 O "O3'" . U A 1 10 ? -5.538 -6.422 20.959 1.00 0.00 ? 36 U A "O3'" 1
1316
+ ATOM 290 C "C2'" . U A 1 10 ? -3.747 -6.992 22.699 1.00 0.00 ? 36 U A "C2'" 1
1317
+ ATOM 291 O "O2'" . U A 1 10 ? -2.950 -7.575 21.692 1.00 0.00 ? 36 U A "O2'" 1
1318
+ ATOM 292 C "C1'" . U A 1 10 ? -3.106 -5.815 23.409 1.00 0.00 ? 36 U A "C1'" 1
1319
+ ATOM 293 N N1 . U A 1 10 ? -2.490 -6.278 24.699 1.00 0.00 ? 36 U A N1 1
1320
+ ATOM 294 C C2 . U A 1 10 ? -1.101 -6.231 24.869 1.00 0.00 ? 36 U A C2 1
1321
+ ATOM 295 O O2 . U A 1 10 ? -0.301 -5.925 23.986 1.00 0.00 ? 36 U A O2 1
1322
+ ATOM 296 N N3 . U A 1 10 ? -0.621 -6.563 26.128 1.00 0.00 ? 36 U A N3 1
1323
+ ATOM 297 C C4 . U A 1 10 ? -1.371 -6.961 27.221 1.00 0.00 ? 36 U A C4 1
1324
+ ATOM 298 O O4 . U A 1 10 ? -0.833 -7.217 28.296 1.00 0.00 ? 36 U A O4 1
1325
+ ATOM 299 C C5 . U A 1 10 ? -2.782 -7.042 26.949 1.00 0.00 ? 36 U A C5 1
1326
+ ATOM 300 C C6 . U A 1 10 ? -3.280 -6.704 25.741 1.00 0.00 ? 36 U A C6 1
1327
+ ATOM 301 H "H5'" . U A 1 10 ? -6.801 -3.934 23.938 1.00 0.00 ? 36 U A "H5'" 1
1328
+ ATOM 302 H "H5''" . U A 1 10 ? -7.354 -5.588 23.942 1.00 0.00 ? 36 U A "H5''" 1
1329
+ ATOM 303 H "H4'" . U A 1 10 ? -5.865 -4.697 22.277 1.00 0.00 ? 36 U A "H4'" 1
1330
+ ATOM 304 H "H3'" . U A 1 10 ? -5.815 -7.276 22.820 1.00 0.00 ? 36 U A "H3'" 1
1331
+ ATOM 305 H "H2'" . U A 1 10 ? -3.961 -7.745 23.354 1.00 0.00 ? 36 U A "H2'" 1
1332
+ ATOM 306 H "HO2'" . U A 1 10 ? -2.674 -6.887 21.082 1.00 0.00 ? 36 U A "HO2'" 1
1333
+ ATOM 307 H "H1'" . U A 1 10 ? -2.273 -5.435 22.843 1.00 0.00 ? 36 U A "H1'" 1
1334
+ ATOM 308 H H3 . U A 1 10 ? 0.379 -6.513 26.259 1.00 0.00 ? 36 U A H3 1
1335
+ ATOM 309 H H5 . U A 1 10 ? -3.454 -7.374 27.727 1.00 0.00 ? 36 U A H5 1
1336
+ ATOM 310 H H6 . U A 1 10 ? -4.341 -6.827 25.594 1.00 0.00 ? 36 U A H6 1
1337
+ ATOM 311 P P . A A 1 11 ? -4.600 -5.968 19.699 1.00 0.00 ? 37 A A P 1
1338
+ ATOM 312 O OP1 . A A 1 11 ? -4.691 -7.023 18.666 1.00 0.00 ? 37 A A OP1 1
1339
+ ATOM 313 O OP2 . A A 1 11 ? -3.273 -5.554 20.206 1.00 0.00 ? 37 A A OP2 1
1340
+ ATOM 314 O "O5'" . A A 1 11 ? -5.267 -4.621 19.091 1.00 0.00 ? 37 A A "O5'" 1
1341
+ ATOM 315 C "C5'" . A A 1 11 ? -6.616 -4.494 18.704 1.00 0.00 ? 37 A A "C5'" 1
1342
+ ATOM 316 C "C4'" . A A 1 11 ? -6.979 -3.031 18.987 1.00 0.00 ? 37 A A "C4'" 1
1343
+ ATOM 317 O "O4'" . A A 1 11 ? -6.541 -2.776 20.313 1.00 0.00 ? 37 A A "O4'" 1
1344
+ ATOM 318 C "C3'" . A A 1 11 ? -6.334 -1.986 18.053 1.00 0.00 ? 37 A A "C3'" 1
1345
+ ATOM 319 O "O3'" . A A 1 11 ? -7.318 -1.461 17.172 1.00 0.00 ? 37 A A "O3'" 1
1346
+ ATOM 320 C "C2'" . A A 1 11 ? -5.786 -0.984 19.030 1.00 0.00 ? 37 A A "C2'" 1
1347
+ ATOM 321 O "O2'" . A A 1 11 ? -6.598 0.141 18.993 1.00 0.00 ? 37 A A "O2'" 1
1348
+ ATOM 322 C "C1'" . A A 1 11 ? -6.079 -1.445 20.419 1.00 0.00 ? 37 A A "C1'" 1
1349
+ ATOM 323 N N9 . A A 1 11 ? -4.845 -1.356 21.189 1.00 0.00 ? 37 A A N9 1
1350
+ ATOM 324 C C8 . A A 1 11 ? -3.830 -2.242 21.154 1.00 0.00 ? 37 A A C8 1
1351
+ ATOM 325 N N7 . A A 1 11 ? -2.777 -1.896 21.841 1.00 0.00 ? 37 A A N7 1
1352
+ ATOM 326 C C5 . A A 1 11 ? -3.128 -0.642 22.340 1.00 0.00 ? 37 A A C5 1
1353
+ ATOM 327 C C6 . A A 1 11 ? -2.439 0.308 23.111 1.00 0.00 ? 37 A A C6 1
1354
+ ATOM 328 N N6 . A A 1 11 ? -1.204 0.114 23.592 1.00 0.00 ? 37 A A N6 1
1355
+ ATOM 329 N N1 . A A 1 11 ? -3.054 1.479 23.338 1.00 0.00 ? 37 A A N1 1
1356
+ ATOM 330 C C2 . A A 1 11 ? -4.269 1.678 22.845 1.00 0.00 ? 37 A A C2 1
1357
+ ATOM 331 N N3 . A A 1 11 ? -5.029 0.869 22.130 1.00 0.00 ? 37 A A N3 1
1358
+ ATOM 332 C C4 . A A 1 11 ? -4.382 -0.294 21.915 1.00 0.00 ? 37 A A C4 1
1359
+ ATOM 333 H "H5'" . A A 1 11 ? -7.231 -5.138 19.332 1.00 0.00 ? 37 A A "H5'" 1
1360
+ ATOM 334 H "H5''" . A A 1 11 ? -6.755 -4.748 17.653 1.00 0.00 ? 37 A A "H5''" 1
1361
+ ATOM 335 H "H4'" . A A 1 11 ? -8.061 -2.902 18.943 1.00 0.00 ? 37 A A "H4'" 1
1362
+ ATOM 336 H "H3'" . A A 1 11 ? -5.460 -2.259 17.476 1.00 0.00 ? 37 A A "H3'" 1
1363
+ ATOM 337 H "H2'" . A A 1 11 ? -4.698 -0.903 18.882 1.00 0.00 ? 37 A A "H2'" 1
1364
+ ATOM 338 H "HO2'" . A A 1 11 ? -7.513 -0.146 19.025 1.00 0.00 ? 37 A A "HO2'" 1
1365
+ ATOM 339 H "H1'" . A A 1 11 ? -6.770 -0.714 20.806 1.00 0.00 ? 37 A A "H1'" 1
1366
+ ATOM 340 H H8 . A A 1 11 ? -3.994 -3.103 20.543 1.00 0.00 ? 37 A A H8 1
1367
+ ATOM 341 H H61 . A A 1 11 ? -0.752 0.839 24.130 1.00 0.00 ? 37 A A H61 1
1368
+ ATOM 342 H H62 . A A 1 11 ? -0.725 -0.758 23.418 1.00 0.00 ? 37 A A H62 1
1369
+ ATOM 343 H H2 . A A 1 11 ? -4.715 2.638 23.034 1.00 0.00 ? 37 A A H2 1
1370
+ ATOM 344 P P . A A 1 12 ? -7.006 -0.372 15.999 1.00 0.00 ? 38 A A P 1
1371
+ ATOM 345 O OP1 . A A 1 12 ? -7.873 -0.685 14.842 1.00 0.00 ? 38 A A OP1 1
1372
+ ATOM 346 O OP2 . A A 1 12 ? -5.540 -0.233 15.808 1.00 0.00 ? 38 A A OP2 1
1373
+ ATOM 347 O "O5'" . A A 1 12 ? -7.491 1.027 16.613 1.00 0.00 ? 38 A A "O5'" 1
1374
+ ATOM 348 C "C5'" . A A 1 12 ? -8.754 1.260 17.181 1.00 0.00 ? 38 A A "C5'" 1
1375
+ ATOM 349 C "C4'" . A A 1 12 ? -8.661 2.577 17.964 1.00 0.00 ? 38 A A "C4'" 1
1376
+ ATOM 350 O "O4'" . A A 1 12 ? -7.831 2.394 19.099 1.00 0.00 ? 38 A A "O4'" 1
1377
+ ATOM 351 C "C3'" . A A 1 12 ? -8.049 3.764 17.214 1.00 0.00 ? 38 A A "C3'" 1
1378
+ ATOM 352 O "O3'" . A A 1 12 ? -8.956 4.409 16.335 1.00 0.00 ? 38 A A "O3'" 1
1379
+ ATOM 353 C "C2'" . A A 1 12 ? -7.640 4.620 18.402 1.00 0.00 ? 38 A A "C2'" 1
1380
+ ATOM 354 O "O2'" . A A 1 12 ? -8.768 5.205 19.014 1.00 0.00 ? 38 A A "O2'" 1
1381
+ ATOM 355 C "C1'" . A A 1 12 ? -7.041 3.550 19.316 1.00 0.00 ? 38 A A "C1'" 1
1382
+ ATOM 356 N N9 . A A 1 12 ? -5.615 3.365 18.942 1.00 0.00 ? 38 A A N9 1
1383
+ ATOM 357 C C8 . A A 1 12 ? -4.968 2.380 18.222 1.00 0.00 ? 38 A A C8 1
1384
+ ATOM 358 N N7 . A A 1 12 ? -3.685 2.562 18.100 1.00 0.00 ? 38 A A N7 1
1385
+ ATOM 359 C C5 . A A 1 12 ? -3.455 3.752 18.770 1.00 0.00 ? 38 A A C5 1
1386
+ ATOM 360 C C6 . A A 1 12 ? -2.289 4.493 18.998 1.00 0.00 ? 38 A A C6 1
1387
+ ATOM 361 N N6 . A A 1 12 ? -1.077 4.115 18.567 1.00 0.00 ? 38 A A N6 1
1388
+ ATOM 362 N N1 . A A 1 12 ? -2.439 5.631 19.682 1.00 0.00 ? 38 A A N1 1
1389
+ ATOM 363 C C2 . A A 1 12 ? -3.626 6.018 20.122 1.00 0.00 ? 38 A A C2 1
1390
+ ATOM 364 N N3 . A A 1 12 ? -4.787 5.401 19.980 1.00 0.00 ? 38 A A N3 1
1391
+ ATOM 365 C C4 . A A 1 12 ? -4.623 4.255 19.278 1.00 0.00 ? 38 A A C4 1
1392
+ ATOM 366 H H1 . A A 1 12 ? -1.632 6.207 19.868 1.00 0.00 ? 38 A A H1 1
1393
+ ATOM 367 H "H5'" . A A 1 12 ? -9.032 0.453 17.857 1.00 0.00 ? 38 A A "H5'" 1
1394
+ ATOM 368 H "H5''" . A A 1 12 ? -9.502 1.323 16.404 1.00 0.00 ? 38 A A "H5''" 1
1395
+ ATOM 369 H "H4'" . A A 1 12 ? -9.657 2.853 18.311 1.00 0.00 ? 38 A A "H4'" 1
1396
+ ATOM 370 H "H3'" . A A 1 12 ? -7.131 3.491 16.703 1.00 0.00 ? 38 A A "H3'" 1
1397
+ ATOM 371 H "H2'" . A A 1 12 ? -6.909 5.368 18.110 1.00 0.00 ? 38 A A "H2'" 1
1398
+ ATOM 372 H "HO2'" . A A 1 12 ? -8.479 5.674 19.800 1.00 0.00 ? 38 A A "HO2'" 1
1399
+ ATOM 373 H "H1'" . A A 1 12 ? -7.072 3.811 20.382 1.00 0.00 ? 38 A A "H1'" 1
1400
+ ATOM 374 H H8 . A A 1 12 ? -5.416 1.510 17.777 1.00 0.00 ? 38 A A H8 1
1401
+ ATOM 375 H H61 . A A 1 12 ? -0.271 4.691 18.760 1.00 0.00 ? 38 A A H61 1
1402
+ ATOM 376 H H62 . A A 1 12 ? -0.971 3.254 18.049 1.00 0.00 ? 38 A A H62 1
1403
+ ATOM 377 H H2 . A A 1 12 ? -3.653 6.940 20.681 1.00 0.00 ? 38 A A H2 1
1404
+ HETATM 378 N N1 . PSU A 1 13 ? -3.541 4.659 15.699 1.00 0.00 ? 39 PSU A N1 1
1405
+ HETATM 379 C C2 . PSU A 1 13 ? -2.178 4.794 15.898 1.00 0.00 ? 39 PSU A C2 1
1406
+ HETATM 380 N N3 . PSU A 1 13 ? -1.766 5.979 16.487 1.00 0.00 ? 39 PSU A N3 1
1407
+ HETATM 381 C C4 . PSU A 1 13 ? -2.585 7.008 16.917 1.00 0.00 ? 39 PSU A C4 1
1408
+ HETATM 382 C C5 . PSU A 1 13 ? -3.994 6.803 16.673 1.00 0.00 ? 39 PSU A C5 1
1409
+ HETATM 383 C C6 . PSU A 1 13 ? -4.413 5.645 16.072 1.00 0.00 ? 39 PSU A C6 1
1410
+ HETATM 384 O O2 . PSU A 1 13 ? -1.370 3.925 15.580 1.00 0.00 ? 39 PSU A O2 1
1411
+ HETATM 385 O O4 . PSU A 1 13 ? -2.101 8.004 17.451 1.00 0.00 ? 39 PSU A O4 1
1412
+ HETATM 386 C "C1'" . PSU A 1 13 ? -4.912 7.973 17.056 1.00 0.00 ? 39 PSU A "C1'" 1
1413
+ HETATM 387 C "C2'" . PSU A 1 13 ? -4.814 9.047 15.981 1.00 0.00 ? 39 PSU A "C2'" 1
1414
+ HETATM 388 O "O2'" . PSU A 1 13 ? -5.052 10.315 16.553 1.00 0.00 ? 39 PSU A "O2'" 1
1415
+ HETATM 389 C "C3'" . PSU A 1 13 ? -5.921 8.649 15.029 1.00 0.00 ? 39 PSU A "C3'" 1
1416
+ HETATM 390 C "C4'" . PSU A 1 13 ? -6.986 8.273 16.058 1.00 0.00 ? 39 PSU A "C4'" 1
1417
+ HETATM 391 O "O3'" . PSU A 1 13 ? -6.297 9.714 14.180 1.00 0.00 ? 39 PSU A "O3'" 1
1418
+ HETATM 392 O "O4'" . PSU A 1 13 ? -6.277 7.585 17.078 1.00 0.00 ? 39 PSU A "O4'" 1
1419
+ HETATM 393 C "C5'" . PSU A 1 13 ? -8.142 7.412 15.541 1.00 0.00 ? 39 PSU A "C5'" 1
1420
+ HETATM 394 O "O5'" . PSU A 1 13 ? -7.615 6.200 15.063 1.00 0.00 ? 39 PSU A "O5'" 1
1421
+ HETATM 395 P P . PSU A 1 13 ? -8.518 4.885 14.844 1.00 0.00 ? 39 PSU A P 1
1422
+ HETATM 396 O OP1 . PSU A 1 13 ? -9.742 5.295 14.120 1.00 0.00 ? 39 PSU A OP1 1
1423
+ HETATM 397 O OP2 . PSU A 1 13 ? -7.635 3.847 14.259 1.00 0.00 ? 39 PSU A OP2 1
1424
+ HETATM 398 H HN1 . PSU A 1 13 ? -3.920 3.824 15.251 1.00 0.00 ? 39 PSU A HN1 1
1425
+ HETATM 399 H HN3 . PSU A 1 13 ? -0.775 6.106 16.622 1.00 0.00 ? 39 PSU A HN3 1
1426
+ HETATM 400 H H6 . PSU A 1 13 ? -5.432 5.378 15.835 1.00 0.00 ? 39 PSU A H6 1
1427
+ HETATM 401 H "H1'" . PSU A 1 13 ? -4.602 8.449 18.011 1.00 0.00 ? 39 PSU A "H1'" 1
1428
+ HETATM 402 H "H2'" . PSU A 1 13 ? -3.858 9.026 15.483 1.00 0.00 ? 39 PSU A "H2'" 1
1429
+ HETATM 403 H "HO2'" . PSU A 1 13 ? -5.798 10.252 17.153 1.00 0.00 ? 39 PSU A "HO2'" 1
1430
+ HETATM 404 H "H3'" . PSU A 1 13 ? -5.575 7.788 14.454 1.00 0.00 ? 39 PSU A "H3'" 1
1431
+ HETATM 405 H "H4'" . PSU A 1 13 ? -7.408 9.185 16.477 1.00 0.00 ? 39 PSU A "H4'" 1
1432
+ HETATM 406 H "H5'" . PSU A 1 13 ? -8.822 7.205 16.368 1.00 0.00 ? 39 PSU A "H5'" 1
1433
+ HETATM 407 H "H5''" . PSU A 1 13 ? -8.678 7.928 14.745 1.00 0.00 ? 39 PSU A "H5''" 1
1434
+ ATOM 408 P P . C A 1 14 ? -5.474 10.026 12.822 1.00 0.00 ? 40 C A P 1
1435
+ ATOM 409 O OP1 . C A 1 14 ? -6.110 11.188 12.162 1.00 0.00 ? 40 C A OP1 1
1436
+ ATOM 410 O OP2 . C A 1 14 ? -5.331 8.755 12.077 1.00 0.00 ? 40 C A OP2 1
1437
+ ATOM 411 O "O5'" . C A 1 14 ? -4.005 10.481 13.311 1.00 0.00 ? 40 C A "O5'" 1
1438
+ ATOM 412 C "C5'" . C A 1 14 ? -3.773 11.790 13.781 1.00 0.00 ? 40 C A "C5'" 1
1439
+ ATOM 413 C "C4'" . C A 1 14 ? -2.310 11.988 14.186 1.00 0.00 ? 40 C A "C4'" 1
1440
+ ATOM 414 O "O4'" . C A 1 14 ? -1.902 11.067 15.187 1.00 0.00 ? 40 C A "O4'" 1
1441
+ ATOM 415 C "C3'" . C A 1 14 ? -1.310 11.819 13.047 1.00 0.00 ? 40 C A "C3'" 1
1442
+ ATOM 416 O "O3'" . C A 1 14 ? -1.279 12.945 12.194 1.00 0.00 ? 40 C A "O3'" 1
1443
+ ATOM 417 C "C2'" . C A 1 14 ? -0.041 11.680 13.872 1.00 0.00 ? 40 C A "C2'" 1
1444
+ ATOM 418 O "O2'" . C A 1 14 ? 0.387 12.944 14.328 1.00 0.00 ? 40 C A "O2'" 1
1445
+ ATOM 419 C "C1'" . C A 1 14 ? -0.499 10.851 15.069 1.00 0.00 ? 40 C A "C1'" 1
1446
+ ATOM 420 N N1 . C A 1 14 ? -0.168 9.420 14.812 1.00 0.00 ? 40 C A N1 1
1447
+ ATOM 421 C C2 . C A 1 14 ? 1.116 8.986 15.132 1.00 0.00 ? 40 C A C2 1
1448
+ ATOM 422 O O2 . C A 1 14 ? 1.965 9.766 15.558 1.00 0.00 ? 40 C A O2 1
1449
+ ATOM 423 N N3 . C A 1 14 ? 1.419 7.674 14.952 1.00 0.00 ? 40 C A N3 1
1450
+ ATOM 424 C C4 . C A 1 14 ? 0.533 6.818 14.434 1.00 0.00 ? 40 C A C4 1
1451
+ ATOM 425 N N4 . C A 1 14 ? 0.877 5.532 14.285 1.00 0.00 ? 40 C A N4 1
1452
+ ATOM 426 C C5 . C A 1 14 ? -0.758 7.263 14.011 1.00 0.00 ? 40 C A C5 1
1453
+ ATOM 427 C C6 . C A 1 14 ? -1.059 8.561 14.220 1.00 0.00 ? 40 C A C6 1
1454
+ ATOM 428 H "H5'" . C A 1 14 ? -4.412 11.983 14.642 1.00 0.00 ? 40 C A "H5'" 1
1455
+ ATOM 429 H "H5''" . C A 1 14 ? -4.020 12.499 12.991 1.00 0.00 ? 40 C A "H5''" 1
1456
+ ATOM 430 H "H4'" . C A 1 14 ? -2.213 13.003 14.575 1.00 0.00 ? 40 C A "H4'" 1
1457
+ ATOM 431 H "H3'" . C A 1 14 ? -1.474 10.900 12.485 1.00 0.00 ? 40 C A "H3'" 1
1458
+ ATOM 432 H "H2'" . C A 1 14 ? 0.733 11.171 13.309 1.00 0.00 ? 40 C A "H2'" 1
1459
+ ATOM 433 H "HO2'" . C A 1 14 ? 1.152 12.820 14.894 1.00 0.00 ? 40 C A "HO2'" 1
1460
+ ATOM 434 H "H1'" . C A 1 14 ? -0.007 11.201 15.985 1.00 0.00 ? 40 C A "H1'" 1
1461
+ ATOM 435 H H41 . C A 1 14 ? 1.793 5.218 14.574 1.00 0.00 ? 40 C A H41 1
1462
+ ATOM 436 H H42 . C A 1 14 ? 0.221 4.876 13.885 1.00 0.00 ? 40 C A H42 1
1463
+ ATOM 437 H H5 . C A 1 14 ? -1.485 6.613 13.546 1.00 0.00 ? 40 C A H5 1
1464
+ ATOM 438 H H6 . C A 1 14 ? -2.026 8.893 13.883 1.00 0.00 ? 40 C A H6 1
1465
+ ATOM 439 P P . U A 1 15 ? -0.760 12.834 10.666 1.00 0.00 ? 41 U A P 1
1466
+ ATOM 440 O OP1 . U A 1 15 ? -0.896 14.169 10.042 1.00 0.00 ? 41 U A OP1 1
1467
+ ATOM 441 O OP2 . U A 1 15 ? -1.419 11.667 10.038 1.00 0.00 ? 41 U A OP2 1
1468
+ ATOM 442 O "O5'" . U A 1 15 ? 0.813 12.510 10.792 1.00 0.00 ? 41 U A "O5'" 1
1469
+ ATOM 443 C "C5'" . U A 1 15 ? 1.721 13.518 11.166 1.00 0.00 ? 41 U A "C5'" 1
1470
+ ATOM 444 C "C4'" . U A 1 15 ? 3.158 12.995 11.221 1.00 0.00 ? 41 U A "C4'" 1
1471
+ ATOM 445 O "O4'" . U A 1 15 ? 3.308 11.876 12.097 1.00 0.00 ? 41 U A "O4'" 1
1472
+ ATOM 446 C "C3'" . U A 1 15 ? 3.696 12.523 9.878 1.00 0.00 ? 41 U A "C3'" 1
1473
+ ATOM 447 O "O3'" . U A 1 15 ? 4.080 13.600 9.047 1.00 0.00 ? 41 U A "O3'" 1
1474
+ ATOM 448 C "C2'" . U A 1 15 ? 4.881 11.704 10.364 1.00 0.00 ? 41 U A "C2'" 1
1475
+ ATOM 449 O "O2'" . U A 1 15 ? 5.920 12.549 10.806 1.00 0.00 ? 41 U A "O2'" 1
1476
+ ATOM 450 C "C1'" . U A 1 15 ? 4.293 10.979 11.574 1.00 0.00 ? 41 U A "C1'" 1
1477
+ ATOM 451 N N1 . U A 1 15 ? 3.748 9.652 11.160 1.00 0.00 ? 41 U A N1 1
1478
+ ATOM 452 C C2 . U A 1 15 ? 4.682 8.658 10.889 1.00 0.00 ? 41 U A C2 1
1479
+ ATOM 453 O O2 . U A 1 15 ? 5.894 8.866 10.909 1.00 0.00 ? 41 U A O2 1
1480
+ ATOM 454 N N3 . U A 1 15 ? 4.187 7.403 10.573 1.00 0.00 ? 41 U A N3 1
1481
+ ATOM 455 C C4 . U A 1 15 ? 2.851 7.054 10.481 1.00 0.00 ? 41 U A C4 1
1482
+ ATOM 456 O O4 . U A 1 15 ? 2.518 5.908 10.190 1.00 0.00 ? 41 U A O4 1
1483
+ ATOM 457 C C5 . U A 1 15 ? 1.947 8.145 10.755 1.00 0.00 ? 41 U A C5 1
1484
+ ATOM 458 C C6 . U A 1 15 ? 2.404 9.375 11.078 1.00 0.00 ? 41 U A C6 1
1485
+ ATOM 459 H "H5'" . U A 1 15 ? 1.447 13.906 12.146 1.00 0.00 ? 41 U A "H5'" 1
1486
+ ATOM 460 H "H5''" . U A 1 15 ? 1.669 14.329 10.440 1.00 0.00 ? 41 U A "H5''" 1
1487
+ ATOM 461 H "H4'" . U A 1 15 ? 3.757 13.850 11.550 1.00 0.00 ? 41 U A "H4'" 1
1488
+ ATOM 462 H "H3'" . U A 1 15 ? 2.978 11.869 9.382 1.00 0.00 ? 41 U A "H3'" 1
1489
+ ATOM 463 H "H2'" . U A 1 15 ? 5.244 11.028 9.597 1.00 0.00 ? 41 U A "H2'" 1
1490
+ ATOM 464 H "HO2'" . U A 1 15 ? 5.631 13.010 11.597 1.00 0.00 ? 41 U A "HO2'" 1
1491
+ ATOM 465 H "H1'" . U A 1 15 ? 5.080 10.784 12.315 1.00 0.00 ? 41 U A "H1'" 1
1492
+ ATOM 466 H H3 . U A 1 15 ? 4.866 6.678 10.388 1.00 0.00 ? 41 U A H3 1
1493
+ ATOM 467 H H5 . U A 1 15 ? 0.882 7.974 10.703 1.00 0.00 ? 41 U A H5 1
1494
+ ATOM 468 H H6 . U A 1 15 ? 1.651 10.122 11.268 1.00 0.00 ? 41 U A H6 1
1495
+ ATOM 469 P P . G A 1 16 ? 4.341 13.391 7.466 1.00 0.00 ? 42 G A P 1
1496
+ ATOM 470 O OP1 . G A 1 16 ? 4.659 14.710 6.876 1.00 0.00 ? 42 G A OP1 1
1497
+ ATOM 471 O OP2 . G A 1 16 ? 3.219 12.597 6.918 1.00 0.00 ? 42 G A OP2 1
1498
+ ATOM 472 O "O5'" . G A 1 16 ? 5.671 12.486 7.400 1.00 0.00 ? 42 G A "O5'" 1
1499
+ ATOM 473 C "C5'" . G A 1 16 ? 6.938 13.045 7.653 1.00 0.00 ? 42 G A "C5'" 1
1500
+ ATOM 474 C "C4'" . G A 1 16 ? 8.004 11.951 7.701 1.00 0.00 ? 42 G A "C4'" 1
1501
+ ATOM 475 O "O4'" . G A 1 16 ? 7.627 10.885 8.554 1.00 0.00 ? 42 G A "O4'" 1
1502
+ ATOM 476 C "C3'" . G A 1 16 ? 8.317 11.305 6.357 1.00 0.00 ? 42 G A "C3'" 1
1503
+ ATOM 477 O "O3'" . G A 1 16 ? 9.141 12.149 5.582 1.00 0.00 ? 42 G A "O3'" 1
1504
+ ATOM 478 C "C2'" . G A 1 16 ? 9.035 10.054 6.833 1.00 0.00 ? 42 G A "C2'" 1
1505
+ ATOM 479 O "O2'" . G A 1 16 ? 10.360 10.353 7.215 1.00 0.00 ? 42 G A "O2'" 1
1506
+ ATOM 480 C "C1'" . G A 1 16 ? 8.214 9.686 8.068 1.00 0.00 ? 42 G A "C1'" 1
1507
+ ATOM 481 N N9 . G A 1 16 ? 7.170 8.713 7.704 1.00 0.00 ? 42 G A N9 1
1508
+ ATOM 482 C C8 . G A 1 16 ? 5.855 8.933 7.409 1.00 0.00 ? 42 G A C8 1
1509
+ ATOM 483 N N7 . G A 1 16 ? 5.168 7.849 7.182 1.00 0.00 ? 42 G A N7 1
1510
+ ATOM 484 C C5 . G A 1 16 ? 6.101 6.831 7.343 1.00 0.00 ? 42 G A C5 1
1511
+ ATOM 485 C C6 . G A 1 16 ? 5.935 5.426 7.238 1.00 0.00 ? 42 G A C6 1
1512
+ ATOM 486 O O6 . G A 1 16 ? 4.915 4.795 6.970 1.00 0.00 ? 42 G A O6 1
1513
+ ATOM 487 N N1 . G A 1 16 ? 7.124 4.759 7.489 1.00 0.00 ? 42 G A N1 1
1514
+ ATOM 488 C C2 . G A 1 16 ? 8.327 5.360 7.797 1.00 0.00 ? 42 G A C2 1
1515
+ ATOM 489 N N2 . G A 1 16 ? 9.372 4.546 7.998 1.00 0.00 ? 42 G A N2 1
1516
+ ATOM 490 N N3 . G A 1 16 ? 8.483 6.683 7.901 1.00 0.00 ? 42 G A N3 1
1517
+ ATOM 491 C C4 . G A 1 16 ? 7.330 7.350 7.661 1.00 0.00 ? 42 G A C4 1
1518
+ ATOM 492 H "H5'" . G A 1 16 ? 6.915 13.559 8.613 1.00 0.00 ? 42 G A "H5'" 1
1519
+ ATOM 493 H "H5''" . G A 1 16 ? 7.186 13.764 6.872 1.00 0.00 ? 42 G A "H5''" 1
1520
+ ATOM 494 H "H4'" . G A 1 16 ? 8.922 12.406 8.075 1.00 0.00 ? 42 G A "H4'" 1
1521
+ ATOM 495 H "H3'" . G A 1 16 ? 7.417 11.004 5.816 1.00 0.00 ? 42 G A "H3'" 1
1522
+ ATOM 496 H "H2'" . G A 1 16 ? 9.018 9.268 6.083 1.00 0.00 ? 42 G A "H2'" 1
1523
+ ATOM 497 H "HO2'" . G A 1 16 ? 10.342 10.927 7.984 1.00 0.00 ? 42 G A "HO2'" 1
1524
+ ATOM 498 H "H1'" . G A 1 16 ? 8.821 9.217 8.837 1.00 0.00 ? 42 G A "H1'" 1
1525
+ ATOM 499 H H8 . G A 1 16 ? 5.434 9.919 7.379 1.00 0.00 ? 42 G A H8 1
1526
+ ATOM 500 H H1 . G A 1 16 ? 7.100 3.751 7.435 1.00 0.00 ? 42 G A H1 1
1527
+ ATOM 501 H H21 . G A 1 16 ? 9.255 3.545 7.922 1.00 0.00 ? 42 G A H21 1
1528
+ ATOM 502 H H22 . G A 1 16 ? 10.276 4.932 8.227 1.00 0.00 ? 42 G A H22 1
1529
+ ATOM 503 P P . A A 1 17 ? 9.191 12.010 3.981 1.00 0.00 ? 43 A A P 1
1530
+ ATOM 504 O OP1 . A A 1 17 ? 10.170 12.992 3.462 1.00 0.00 ? 43 A A OP1 1
1531
+ ATOM 505 O OP2 . A A 1 17 ? 7.800 12.023 3.476 1.00 0.00 ? 43 A A OP2 1
1532
+ ATOM 506 O "O5'" . A A 1 17 ? 9.790 10.535 3.762 1.00 0.00 ? 43 A A "O5'" 1
1533
+ ATOM 507 C "C5'" . A A 1 17 ? 11.180 10.296 3.781 1.00 0.00 ? 43 A A "C5'" 1
1534
+ ATOM 508 C "C4'" . A A 1 17 ? 11.461 8.835 3.426 1.00 0.00 ? 43 A A "C4'" 1
1535
+ ATOM 509 O "O4'" . A A 1 17 ? 10.905 7.957 4.386 1.00 0.00 ? 43 A A "O4'" 1
1536
+ ATOM 510 C "C3'" . A A 1 17 ? 10.882 8.415 2.079 1.00 0.00 ? 43 A A "C3'" 1
1537
+ ATOM 511 O "O3'" . A A 1 17 ? 11.732 8.762 1.009 1.00 0.00 ? 43 A A "O3'" 1
1538
+ ATOM 512 C "C2'" . A A 1 17 ? 10.795 6.911 2.249 1.00 0.00 ? 43 A A "C2'" 1
1539
+ ATOM 513 O "O2'" . A A 1 17 ? 11.994 6.302 1.825 1.00 0.00 ? 43 A A "O2'" 1
1540
+ ATOM 514 C "C1'" . A A 1 17 ? 10.619 6.723 3.750 1.00 0.00 ? 43 A A "C1'" 1
1541
+ ATOM 515 N N9 . A A 1 17 ? 9.221 6.338 3.991 1.00 0.00 ? 43 A A N9 1
1542
+ ATOM 516 C C8 . A A 1 17 ? 8.122 7.148 4.021 1.00 0.00 ? 43 A A C8 1
1543
+ ATOM 517 N N7 . A A 1 17 ? 6.994 6.504 4.150 1.00 0.00 ? 43 A A N7 1
1544
+ ATOM 518 C C5 . A A 1 17 ? 7.380 5.166 4.201 1.00 0.00 ? 43 A A C5 1
1545
+ ATOM 519 C C6 . A A 1 17 ? 6.656 3.967 4.302 1.00 0.00 ? 43 A A C6 1
1546
+ ATOM 520 N N6 . A A 1 17 ? 5.319 3.915 4.384 1.00 0.00 ? 43 A A N6 1
1547
+ ATOM 521 N N1 . A A 1 17 ? 7.353 2.821 4.302 1.00 0.00 ? 43 A A N1 1
1548
+ ATOM 522 C C2 . A A 1 17 ? 8.674 2.863 4.209 1.00 0.00 ? 43 A A C2 1
1549
+ ATOM 523 N N3 . A A 1 17 ? 9.470 3.917 4.103 1.00 0.00 ? 43 A A N3 1
1550
+ ATOM 524 C C4 . A A 1 17 ? 8.741 5.057 4.105 1.00 0.00 ? 43 A A C4 1
1551
+ ATOM 525 H "H5'" . A A 1 17 ? 11.579 10.519 4.771 1.00 0.00 ? 43 A A "H5'" 1
1552
+ ATOM 526 H "H5''" . A A 1 17 ? 11.666 10.934 3.043 1.00 0.00 ? 43 A A "H5''" 1
1553
+ ATOM 527 H "H4'" . A A 1 17 ? 12.537 8.667 3.400 1.00 0.00 ? 43 A A "H4'" 1
1554
+ ATOM 528 H "H3'" . A A 1 17 ? 9.877 8.799 1.913 1.00 0.00 ? 43 A A "H3'" 1
1555
+ ATOM 529 H "HO3'" . A A 1 17 ? 12.598 8.380 1.173 1.00 0.00 ? 43 A A "HO3'" 1
1556
+ ATOM 530 H "H2'" . A A 1 17 ? 9.916 6.529 1.732 1.00 0.00 ? 43 A A "H2'" 1
1557
+ ATOM 531 H "HO2'" . A A 1 17 ? 12.721 6.682 2.324 1.00 0.00 ? 43 A A "HO2'" 1
1558
+ ATOM 532 H "H1'" . A A 1 17 ? 11.281 5.937 4.106 1.00 0.00 ? 43 A A "H1'" 1
1559
+ ATOM 533 H H8 . A A 1 17 ? 8.211 8.220 3.927 1.00 0.00 ? 43 A A H8 1
1560
+ ATOM 534 H H61 . A A 1 17 ? 4.852 3.021 4.443 1.00 0.00 ? 43 A A H61 1
1561
+ ATOM 535 H H62 . A A 1 17 ? 4.780 4.769 4.382 1.00 0.00 ? 43 A A H62 1
1562
+ ATOM 536 H H2 . A A 1 17 ? 9.172 1.902 4.218 1.00 0.00 ? 43 A A H2 1
1563
+ #
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1
+ data_4MS9
2
+ #
3
+ _entry.id 4MS9
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.387
7
+ _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8
+ #
9
+ loop_
10
+ _database_2.database_id
11
+ _database_2.database_code
12
+ _database_2.pdbx_database_accession
13
+ _database_2.pdbx_DOI
14
+ PDB 4MS9 pdb_00004ms9 10.2210/pdb4ms9/pdb
15
+ NDB NA2738 ? ?
16
+ RCSB RCSB082302 ? ?
17
+ WWPDB D_1000082302 ? ?
18
+ #
19
+ loop_
20
+ _pdbx_audit_revision_history.ordinal
21
+ _pdbx_audit_revision_history.data_content_type
22
+ _pdbx_audit_revision_history.major_revision
23
+ _pdbx_audit_revision_history.minor_revision
24
+ _pdbx_audit_revision_history.revision_date
25
+ 1 'Structure model' 1 0 2014-02-12
26
+ 2 'Structure model' 1 1 2014-03-19
27
+ 3 'Structure model' 1 2 2018-01-24
28
+ 4 'Structure model' 1 3 2020-02-26
29
+ 5 'Structure model' 1 4 2024-02-28
30
+ #
31
+ _pdbx_audit_revision_details.ordinal 1
32
+ _pdbx_audit_revision_details.revision_ordinal 1
33
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
34
+ _pdbx_audit_revision_details.provider repository
35
+ _pdbx_audit_revision_details.type 'Initial release'
36
+ _pdbx_audit_revision_details.description ?
37
+ _pdbx_audit_revision_details.details ?
38
+ #
39
+ loop_
40
+ _pdbx_audit_revision_group.ordinal
41
+ _pdbx_audit_revision_group.revision_ordinal
42
+ _pdbx_audit_revision_group.data_content_type
43
+ _pdbx_audit_revision_group.group
44
+ 1 2 'Structure model' 'Database references'
45
+ 2 3 'Structure model' 'Structure summary'
46
+ 3 4 'Structure model' 'Data collection'
47
+ 4 5 'Structure model' 'Data collection'
48
+ 5 5 'Structure model' 'Database references'
49
+ 6 5 'Structure model' 'Derived calculations'
50
+ #
51
+ loop_
52
+ _pdbx_audit_revision_category.ordinal
53
+ _pdbx_audit_revision_category.revision_ordinal
54
+ _pdbx_audit_revision_category.data_content_type
55
+ _pdbx_audit_revision_category.category
56
+ 1 3 'Structure model' audit_author
57
+ 2 4 'Structure model' reflns
58
+ 3 5 'Structure model' chem_comp_atom
59
+ 4 5 'Structure model' chem_comp_bond
60
+ 5 5 'Structure model' database_2
61
+ 6 5 'Structure model' pdbx_struct_conn_angle
62
+ 7 5 'Structure model' struct_conn
63
+ 8 5 'Structure model' struct_site
64
+ #
65
+ loop_
66
+ _pdbx_audit_revision_item.ordinal
67
+ _pdbx_audit_revision_item.revision_ordinal
68
+ _pdbx_audit_revision_item.data_content_type
69
+ _pdbx_audit_revision_item.item
70
+ 1 3 'Structure model' '_audit_author.name'
71
+ 2 4 'Structure model' '_reflns.pdbx_Rmerge_I_obs'
72
+ 3 5 'Structure model' '_database_2.pdbx_DOI'
73
+ 4 5 'Structure model' '_database_2.pdbx_database_accession'
74
+ 5 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_comp_id'
75
+ 6 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id'
76
+ 7 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_asym_id'
77
+ 8 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_atom_id'
78
+ 9 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_comp_id'
79
+ 10 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_seq_id'
80
+ 11 5 'Structure model' '_pdbx_struct_conn_angle.ptnr2_auth_seq_id'
81
+ 12 5 'Structure model' '_pdbx_struct_conn_angle.ptnr2_label_asym_id'
82
+ 13 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id'
83
+ 14 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id'
84
+ 15 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id'
85
+ 16 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id'
86
+ 17 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id'
87
+ 18 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id'
88
+ 19 5 'Structure model' '_pdbx_struct_conn_angle.value'
89
+ 20 5 'Structure model' '_struct_conn.pdbx_dist_value'
90
+ 21 5 'Structure model' '_struct_conn.ptnr1_auth_comp_id'
91
+ 22 5 'Structure model' '_struct_conn.ptnr1_auth_seq_id'
92
+ 23 5 'Structure model' '_struct_conn.ptnr1_label_asym_id'
93
+ 24 5 'Structure model' '_struct_conn.ptnr1_label_atom_id'
94
+ 25 5 'Structure model' '_struct_conn.ptnr1_label_comp_id'
95
+ 26 5 'Structure model' '_struct_conn.ptnr1_label_seq_id'
96
+ 27 5 'Structure model' '_struct_conn.ptnr2_auth_comp_id'
97
+ 28 5 'Structure model' '_struct_conn.ptnr2_auth_seq_id'
98
+ 29 5 'Structure model' '_struct_conn.ptnr2_label_asym_id'
99
+ 30 5 'Structure model' '_struct_conn.ptnr2_label_atom_id'
100
+ 31 5 'Structure model' '_struct_conn.ptnr2_label_comp_id'
101
+ 32 5 'Structure model' '_struct_site.pdbx_auth_asym_id'
102
+ 33 5 'Structure model' '_struct_site.pdbx_auth_comp_id'
103
+ 34 5 'Structure model' '_struct_site.pdbx_auth_seq_id'
104
+ #
105
+ _pdbx_database_status.status_code REL
106
+ _pdbx_database_status.entry_id 4MS9
107
+ _pdbx_database_status.recvd_initial_deposition_date 2013-09-18
108
+ _pdbx_database_status.deposit_site RCSB
109
+ _pdbx_database_status.process_site RCSB
110
+ _pdbx_database_status.status_code_sf REL
111
+ _pdbx_database_status.status_code_mr ?
112
+ _pdbx_database_status.SG_entry ?
113
+ _pdbx_database_status.status_code_cs ?
114
+ _pdbx_database_status.methods_development_category ?
115
+ _pdbx_database_status.pdb_format_compatible Y
116
+ _pdbx_database_status.status_code_nmr_data ?
117
+ #
118
+ loop_
119
+ _pdbx_database_related.db_name
120
+ _pdbx_database_related.db_id
121
+ _pdbx_database_related.details
122
+ _pdbx_database_related.content_type
123
+ PDB 4MSB . unspecified
124
+ PDB 4MSR . unspecified
125
+ #
126
+ loop_
127
+ _audit_author.name
128
+ _audit_author.pdbx_ordinal
129
+ 'Sheng, J.' 1
130
+ 'Li, L.' 2
131
+ 'Engelhart, A.E.' 3
132
+ 'Gan, J.' 4
133
+ 'Wang, J.' 5
134
+ 'Szostak, J.W.' 6
135
+ #
136
+ _citation.id primary
137
+ _citation.title
138
+ ;Structural insights into the effects of 2'-5' linkages on the RNA duplex.
139
+ ;
140
+ _citation.journal_abbrev Proc.Natl.Acad.Sci.USA
141
+ _citation.journal_volume 111
142
+ _citation.page_first 3050
143
+ _citation.page_last 3055
144
+ _citation.year 2014
145
+ _citation.journal_id_ASTM PNASA6
146
+ _citation.country US
147
+ _citation.journal_id_ISSN 0027-8424
148
+ _citation.journal_id_CSD 0040
149
+ _citation.book_publisher ?
150
+ _citation.pdbx_database_id_PubMed 24516151
151
+ _citation.pdbx_database_id_DOI 10.1073/pnas.1317799111
152
+ #
153
+ loop_
154
+ _citation_author.citation_id
155
+ _citation_author.name
156
+ _citation_author.ordinal
157
+ _citation_author.identifier_ORCID
158
+ primary 'Sheng, J.' 1 ?
159
+ primary 'Li, L.' 2 ?
160
+ primary 'Engelhart, A.E.' 3 ?
161
+ primary 'Gan, J.' 4 ?
162
+ primary 'Wang, J.' 5 ?
163
+ primary 'Szostak, J.W.' 6 ?
164
+ #
165
+ loop_
166
+ _entity.id
167
+ _entity.type
168
+ _entity.src_method
169
+ _entity.pdbx_description
170
+ _entity.formula_weight
171
+ _entity.pdbx_number_of_molecules
172
+ _entity.pdbx_ec
173
+ _entity.pdbx_mutation
174
+ _entity.pdbx_fragment
175
+ _entity.details
176
+ 1 polymer syn 'Native RNA duplex 10mer' 3206.980 1 ? ? ? ?
177
+ 2 non-polymer syn 'STRONTIUM ION' 87.620 3 ? ? ? ?
178
+ 3 water nat water 18.015 57 ? ? ? ?
179
+ #
180
+ _entity_poly.entity_id 1
181
+ _entity_poly.type polyribonucleotide
182
+ _entity_poly.nstd_linkage no
183
+ _entity_poly.nstd_monomer no
184
+ _entity_poly.pdbx_seq_one_letter_code CCGGCGCCGG
185
+ _entity_poly.pdbx_seq_one_letter_code_can CCGGCGCCGG
186
+ _entity_poly.pdbx_strand_id A
187
+ _entity_poly.pdbx_target_identifier ?
188
+ #
189
+ loop_
190
+ _pdbx_entity_nonpoly.entity_id
191
+ _pdbx_entity_nonpoly.name
192
+ _pdbx_entity_nonpoly.comp_id
193
+ 2 'STRONTIUM ION' SR
194
+ 3 water HOH
195
+ #
196
+ loop_
197
+ _entity_poly_seq.entity_id
198
+ _entity_poly_seq.num
199
+ _entity_poly_seq.mon_id
200
+ _entity_poly_seq.hetero
201
+ 1 1 C n
202
+ 1 2 C n
203
+ 1 3 G n
204
+ 1 4 G n
205
+ 1 5 C n
206
+ 1 6 G n
207
+ 1 7 C n
208
+ 1 8 C n
209
+ 1 9 G n
210
+ 1 10 G n
211
+ #
212
+ _pdbx_entity_src_syn.entity_id 1
213
+ _pdbx_entity_src_syn.pdbx_src_id 1
214
+ _pdbx_entity_src_syn.pdbx_alt_source_flag sample
215
+ _pdbx_entity_src_syn.pdbx_beg_seq_num ?
216
+ _pdbx_entity_src_syn.pdbx_end_seq_num ?
217
+ _pdbx_entity_src_syn.organism_scientific ?
218
+ _pdbx_entity_src_syn.organism_common_name ?
219
+ _pdbx_entity_src_syn.ncbi_taxonomy_id ?
220
+ _pdbx_entity_src_syn.details 'Solid Phase Synthesis and HPLC purification'
221
+ #
222
+ loop_
223
+ _chem_comp.id
224
+ _chem_comp.type
225
+ _chem_comp.mon_nstd_flag
226
+ _chem_comp.name
227
+ _chem_comp.pdbx_synonyms
228
+ _chem_comp.formula
229
+ _chem_comp.formula_weight
230
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
231
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
232
+ HOH non-polymer . WATER ? 'H2 O' 18.015
233
+ SR non-polymer . 'STRONTIUM ION' ? 'Sr 2' 87.620
234
+ #
235
+ loop_
236
+ _pdbx_poly_seq_scheme.asym_id
237
+ _pdbx_poly_seq_scheme.entity_id
238
+ _pdbx_poly_seq_scheme.seq_id
239
+ _pdbx_poly_seq_scheme.mon_id
240
+ _pdbx_poly_seq_scheme.ndb_seq_num
241
+ _pdbx_poly_seq_scheme.pdb_seq_num
242
+ _pdbx_poly_seq_scheme.auth_seq_num
243
+ _pdbx_poly_seq_scheme.pdb_mon_id
244
+ _pdbx_poly_seq_scheme.auth_mon_id
245
+ _pdbx_poly_seq_scheme.pdb_strand_id
246
+ _pdbx_poly_seq_scheme.pdb_ins_code
247
+ _pdbx_poly_seq_scheme.hetero
248
+ A 1 1 C 1 1 1 C C A . n
249
+ A 1 2 C 2 2 2 C C A . n
250
+ A 1 3 G 3 3 3 G G A . n
251
+ A 1 4 G 4 4 4 G G A . n
252
+ A 1 5 C 5 5 5 C C A . n
253
+ A 1 6 G 6 6 6 G G A . n
254
+ A 1 7 C 7 7 7 C C A . n
255
+ A 1 8 C 8 8 8 C C A . n
256
+ A 1 9 G 9 9 9 G G A . n
257
+ A 1 10 G 10 10 10 G G A . n
258
+ #
259
+ loop_
260
+ _pdbx_nonpoly_scheme.asym_id
261
+ _pdbx_nonpoly_scheme.entity_id
262
+ _pdbx_nonpoly_scheme.mon_id
263
+ _pdbx_nonpoly_scheme.ndb_seq_num
264
+ _pdbx_nonpoly_scheme.pdb_seq_num
265
+ _pdbx_nonpoly_scheme.auth_seq_num
266
+ _pdbx_nonpoly_scheme.pdb_mon_id
267
+ _pdbx_nonpoly_scheme.auth_mon_id
268
+ _pdbx_nonpoly_scheme.pdb_strand_id
269
+ _pdbx_nonpoly_scheme.pdb_ins_code
270
+ B 2 SR 1 101 1 SR SR A .
271
+ C 2 SR 1 102 2 SR SR A .
272
+ D 2 SR 1 103 3 SR SR A .
273
+ E 3 HOH 1 201 3 HOH HOH A .
274
+ E 3 HOH 2 202 4 HOH HOH A .
275
+ E 3 HOH 3 203 5 HOH HOH A .
276
+ E 3 HOH 4 204 6 HOH HOH A .
277
+ E 3 HOH 5 205 7 HOH HOH A .
278
+ E 3 HOH 6 206 8 HOH HOH A .
279
+ E 3 HOH 7 207 9 HOH HOH A .
280
+ E 3 HOH 8 208 10 HOH HOH A .
281
+ E 3 HOH 9 209 11 HOH HOH A .
282
+ E 3 HOH 10 210 12 HOH HOH A .
283
+ E 3 HOH 11 211 13 HOH HOH A .
284
+ E 3 HOH 12 212 14 HOH HOH A .
285
+ E 3 HOH 13 213 15 HOH HOH A .
286
+ E 3 HOH 14 214 16 HOH HOH A .
287
+ E 3 HOH 15 215 17 HOH HOH A .
288
+ E 3 HOH 16 216 18 HOH HOH A .
289
+ E 3 HOH 17 217 19 HOH HOH A .
290
+ E 3 HOH 18 218 20 HOH HOH A .
291
+ E 3 HOH 19 219 21 HOH HOH A .
292
+ E 3 HOH 20 220 22 HOH HOH A .
293
+ E 3 HOH 21 221 23 HOH HOH A .
294
+ E 3 HOH 22 222 24 HOH HOH A .
295
+ E 3 HOH 23 223 25 HOH HOH A .
296
+ E 3 HOH 24 224 26 HOH HOH A .
297
+ E 3 HOH 25 225 27 HOH HOH A .
298
+ E 3 HOH 26 226 28 HOH HOH A .
299
+ E 3 HOH 27 227 30 HOH HOH A .
300
+ E 3 HOH 28 228 31 HOH HOH A .
301
+ E 3 HOH 29 229 32 HOH HOH A .
302
+ E 3 HOH 30 230 33 HOH HOH A .
303
+ E 3 HOH 31 231 34 HOH HOH A .
304
+ E 3 HOH 32 232 35 HOH HOH A .
305
+ E 3 HOH 33 233 36 HOH HOH A .
306
+ E 3 HOH 34 234 37 HOH HOH A .
307
+ E 3 HOH 35 235 38 HOH HOH A .
308
+ E 3 HOH 36 236 39 HOH HOH A .
309
+ E 3 HOH 37 237 40 HOH HOH A .
310
+ E 3 HOH 38 238 41 HOH HOH A .
311
+ E 3 HOH 39 239 42 HOH HOH A .
312
+ E 3 HOH 40 240 43 HOH HOH A .
313
+ E 3 HOH 41 241 45 HOH HOH A .
314
+ E 3 HOH 42 242 48 HOH HOH A .
315
+ E 3 HOH 43 243 49 HOH HOH A .
316
+ E 3 HOH 44 244 50 HOH HOH A .
317
+ E 3 HOH 45 245 53 HOH HOH A .
318
+ E 3 HOH 46 246 54 HOH HOH A .
319
+ E 3 HOH 47 247 55 HOH HOH A .
320
+ E 3 HOH 48 248 56 HOH HOH A .
321
+ E 3 HOH 49 249 58 HOH HOH A .
322
+ E 3 HOH 50 250 59 HOH HOH A .
323
+ E 3 HOH 51 251 60 HOH HOH A .
324
+ E 3 HOH 52 252 63 HOH HOH A .
325
+ E 3 HOH 53 253 71 HOH HOH A .
326
+ E 3 HOH 54 254 74 HOH HOH A .
327
+ E 3 HOH 55 255 75 HOH HOH A .
328
+ E 3 HOH 56 256 76 HOH HOH A .
329
+ E 3 HOH 57 257 78 HOH HOH A .
330
+ #
331
+ loop_
332
+ _software.name
333
+ _software.classification
334
+ _software.version
335
+ _software.citation_id
336
+ _software.pdbx_ordinal
337
+ HKL-2000 'data collection' . ? 1
338
+ ACORN phasing . ? 2
339
+ REFMAC refinement 5.6.0117 ? 3
340
+ HKL-2000 'data reduction' . ? 4
341
+ HKL-2000 'data scaling' . ? 5
342
+ #
343
+ _cell.entry_id 4MS9
344
+ _cell.length_a 22.708
345
+ _cell.length_b 22.708
346
+ _cell.length_c 77.721
347
+ _cell.angle_alpha 90.00
348
+ _cell.angle_beta 90.00
349
+ _cell.angle_gamma 120.00
350
+ _cell.Z_PDB 6
351
+ _cell.pdbx_unique_axis ?
352
+ _cell.length_a_esd ?
353
+ _cell.length_b_esd ?
354
+ _cell.length_c_esd ?
355
+ _cell.angle_alpha_esd ?
356
+ _cell.angle_beta_esd ?
357
+ _cell.angle_gamma_esd ?
358
+ #
359
+ _symmetry.entry_id 4MS9
360
+ _symmetry.space_group_name_H-M 'P 31 2 1'
361
+ _symmetry.pdbx_full_space_group_name_H-M ?
362
+ _symmetry.cell_setting ?
363
+ _symmetry.Int_Tables_number 152
364
+ _symmetry.space_group_name_Hall ?
365
+ #
366
+ _exptl.entry_id 4MS9
367
+ _exptl.method 'X-RAY DIFFRACTION'
368
+ _exptl.crystals_number 1
369
+ #
370
+ _exptl_crystal.id 1
371
+ _exptl_crystal.density_meas ?
372
+ _exptl_crystal.density_Matthews 1.80
373
+ _exptl_crystal.density_percent_sol 31.81
374
+ _exptl_crystal.description ?
375
+ _exptl_crystal.F_000 ?
376
+ _exptl_crystal.preparation ?
377
+ #
378
+ _exptl_crystal_grow.crystal_id 1
379
+ _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
380
+ _exptl_crystal_grow.temp 293
381
+ _exptl_crystal_grow.temp_details ?
382
+ _exptl_crystal_grow.pH 6.0
383
+ _exptl_crystal_grow.pdbx_details
384
+ ;10% MPD (2-methyl-2,4-pentanediol), 40 mM sodium cacodylate pH 6.0, 12 mM spermine tetrahydrochloride, and 80 mM strontium (II) chloride , VAPOR DIFFUSION, HANGING DROP, temperature 293K
385
+ ;
386
+ _exptl_crystal_grow.pdbx_pH_range ?
387
+ #
388
+ loop_
389
+ _diffrn.id
390
+ _diffrn.ambient_temp
391
+ _diffrn.ambient_temp_details
392
+ _diffrn.crystal_id
393
+ 1 100 ? 1
394
+ 2 ? ? 1
395
+ #
396
+ loop_
397
+ _diffrn_detector.diffrn_id
398
+ _diffrn_detector.detector
399
+ _diffrn_detector.type
400
+ _diffrn_detector.pdbx_collection_date
401
+ _diffrn_detector.details
402
+ 1 CCD 'ADSC QUANTUM 315' 2013-01-10 ?
403
+ 2 CCD 'ADSC QUANTUM 315r' ? ?
404
+ #
405
+ _diffrn_radiation.diffrn_id 1
406
+ _diffrn_radiation.wavelength_id 1
407
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
408
+ _diffrn_radiation.monochromator 'Double Crystal Si (111)'
409
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
410
+ _diffrn_radiation.pdbx_scattering_type x-ray
411
+ #
412
+ _diffrn_radiation_wavelength.id 1
413
+ _diffrn_radiation_wavelength.wavelength 1.0
414
+ _diffrn_radiation_wavelength.wt 1.0
415
+ #
416
+ loop_
417
+ _diffrn_source.diffrn_id
418
+ _diffrn_source.source
419
+ _diffrn_source.type
420
+ _diffrn_source.pdbx_synchrotron_site
421
+ _diffrn_source.pdbx_synchrotron_beamline
422
+ _diffrn_source.pdbx_wavelength
423
+ _diffrn_source.pdbx_wavelength_list
424
+ 1 SYNCHROTRON 'ALS BEAMLINE 8.2.2' ALS 8.2.2 ? 1.0
425
+ 2 SYNCHROTRON 'ALS BEAMLINE 8.2.1' ALS 8.2.1 ? 1.0
426
+ #
427
+ _reflns.entry_id 4MS9
428
+ _reflns.observed_criterion_sigma_I -3
429
+ _reflns.observed_criterion_sigma_F 0
430
+ _reflns.d_resolution_low 50
431
+ _reflns.d_resolution_high 1.32
432
+ _reflns.number_obs 5742
433
+ _reflns.number_all 5981
434
+ _reflns.percent_possible_obs 96
435
+ _reflns.pdbx_Rmerge_I_obs 0.055
436
+ _reflns.pdbx_Rsym_value ?
437
+ _reflns.pdbx_netI_over_sigmaI 33.1
438
+ _reflns.B_iso_Wilson_estimate ?
439
+ _reflns.pdbx_redundancy 11.8
440
+ _reflns.R_free_details ?
441
+ _reflns.limit_h_max ?
442
+ _reflns.limit_h_min ?
443
+ _reflns.limit_k_max ?
444
+ _reflns.limit_k_min ?
445
+ _reflns.limit_l_max ?
446
+ _reflns.limit_l_min ?
447
+ _reflns.observed_criterion_F_max ?
448
+ _reflns.observed_criterion_F_min ?
449
+ _reflns.pdbx_chi_squared ?
450
+ _reflns.pdbx_scaling_rejects ?
451
+ _reflns.pdbx_ordinal 1
452
+ _reflns.pdbx_diffrn_id 1
453
+ _reflns.pdbx_CC_half ?
454
+ _reflns.pdbx_CC_star ?
455
+ _reflns.pdbx_Rpim_I_all ?
456
+ _reflns.pdbx_Rrim_I_all ?
457
+ #
458
+ _reflns_shell.d_res_high 1.32
459
+ _reflns_shell.d_res_low 1.37
460
+ _reflns_shell.percent_possible_all 84.7
461
+ _reflns_shell.Rmerge_I_obs 0.225
462
+ _reflns_shell.pdbx_Rsym_value ?
463
+ _reflns_shell.meanI_over_sigI_obs 8.28
464
+ _reflns_shell.pdbx_redundancy 10.4
465
+ _reflns_shell.percent_possible_obs ?
466
+ _reflns_shell.number_unique_all 480
467
+ _reflns_shell.number_measured_all ?
468
+ _reflns_shell.number_measured_obs ?
469
+ _reflns_shell.number_unique_obs ?
470
+ _reflns_shell.pdbx_chi_squared ?
471
+ _reflns_shell.pdbx_ordinal 1
472
+ _reflns_shell.pdbx_diffrn_id 1
473
+ _reflns_shell.pdbx_CC_half ?
474
+ _reflns_shell.pdbx_CC_star ?
475
+ _reflns_shell.pdbx_Rpim_I_all ?
476
+ _reflns_shell.pdbx_Rrim_I_all ?
477
+ #
478
+ _refine.entry_id 4MS9
479
+ _refine.ls_number_reflns_obs 5463
480
+ _refine.ls_number_reflns_all 5626
481
+ _refine.pdbx_ls_sigma_I ?
482
+ _refine.pdbx_ls_sigma_F -3
483
+ _refine.pdbx_data_cutoff_high_absF ?
484
+ _refine.pdbx_data_cutoff_low_absF ?
485
+ _refine.pdbx_data_cutoff_high_rms_absF ?
486
+ _refine.ls_d_res_low 25.91
487
+ _refine.ls_d_res_high 1.32
488
+ _refine.ls_percent_reflns_obs 97.08
489
+ _refine.ls_R_factor_obs 0.19016
490
+ _refine.ls_R_factor_all ?
491
+ _refine.ls_R_factor_R_work 0.18843
492
+ _refine.ls_R_factor_R_free 0.22753
493
+ _refine.ls_R_factor_R_free_error ?
494
+ _refine.ls_R_factor_R_free_error_details ?
495
+ _refine.ls_percent_reflns_R_free 4.5
496
+ _refine.ls_number_reflns_R_free 256
497
+ _refine.ls_number_parameters ?
498
+ _refine.ls_number_restraints ?
499
+ _refine.occupancy_min ?
500
+ _refine.occupancy_max ?
501
+ _refine.correlation_coeff_Fo_to_Fc 0.961
502
+ _refine.correlation_coeff_Fo_to_Fc_free 0.949
503
+ _refine.B_iso_mean 16.061
504
+ _refine.aniso_B[1][1] -0.03
505
+ _refine.aniso_B[2][2] -0.03
506
+ _refine.aniso_B[3][3] 0.05
507
+ _refine.aniso_B[1][2] -0.02
508
+ _refine.aniso_B[1][3] 0.00
509
+ _refine.aniso_B[2][3] 0.00
510
+ _refine.solvent_model_details MASK
511
+ _refine.solvent_model_param_ksol ?
512
+ _refine.solvent_model_param_bsol ?
513
+ _refine.pdbx_solvent_vdw_probe_radii 1.20
514
+ _refine.pdbx_solvent_ion_probe_radii 0.80
515
+ _refine.pdbx_solvent_shrinkage_radii 0.80
516
+ _refine.pdbx_ls_cross_valid_method THROUGHOUT
517
+ _refine.details 'HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT'
518
+ _refine.pdbx_starting_model ?
519
+ _refine.pdbx_method_to_determine_struct 'AB INITIO PHASING'
520
+ _refine.pdbx_isotropic_thermal_model ?
521
+ _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD'
522
+ _refine.pdbx_stereochem_target_val_spec_case ?
523
+ _refine.pdbx_R_Free_selection_details RANDOM
524
+ _refine.pdbx_overall_ESU_R 0.064
525
+ _refine.pdbx_overall_ESU_R_Free 0.069
526
+ _refine.overall_SU_ML 0.042
527
+ _refine.pdbx_overall_phase_error ?
528
+ _refine.overall_SU_B 1.022
529
+ _refine.overall_SU_R_Cruickshank_DPI ?
530
+ _refine.ls_redundancy_reflns_obs ?
531
+ _refine.B_iso_min ?
532
+ _refine.B_iso_max ?
533
+ _refine.overall_SU_R_free ?
534
+ _refine.ls_wR_factor_R_free ?
535
+ _refine.ls_wR_factor_R_work ?
536
+ _refine.overall_FOM_free_R_set ?
537
+ _refine.overall_FOM_work_R_set ?
538
+ _refine.pdbx_diffrn_id 1
539
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
540
+ _refine.pdbx_TLS_residual_ADP_flag ?
541
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
542
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
543
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
544
+ #
545
+ _refine_analyze.entry_id 4MS9
546
+ _refine_analyze.Luzzati_coordinate_error_obs 0.064
547
+ _refine_analyze.Luzzati_sigma_a_obs ?
548
+ _refine_analyze.Luzzati_d_res_low_obs ?
549
+ _refine_analyze.Luzzati_coordinate_error_free 0.069
550
+ _refine_analyze.Luzzati_sigma_a_free ?
551
+ _refine_analyze.Luzzati_d_res_low_free ?
552
+ _refine_analyze.number_disordered_residues ?
553
+ _refine_analyze.occupancy_sum_hydrogen ?
554
+ _refine_analyze.occupancy_sum_non_hydrogen ?
555
+ _refine_analyze.pdbx_Luzzati_d_res_high_obs ?
556
+ _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
557
+ #
558
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
559
+ _refine_hist.cycle_id LAST
560
+ _refine_hist.pdbx_number_atoms_protein 0
561
+ _refine_hist.pdbx_number_atoms_nucleic_acid 212
562
+ _refine_hist.pdbx_number_atoms_ligand 3
563
+ _refine_hist.number_atoms_solvent 57
564
+ _refine_hist.number_atoms_total 272
565
+ _refine_hist.d_res_high 1.32
566
+ _refine_hist.d_res_low 25.91
567
+ #
568
+ loop_
569
+ _refine_ls_restr.type
570
+ _refine_ls_restr.dev_ideal
571
+ _refine_ls_restr.dev_ideal_target
572
+ _refine_ls_restr.weight
573
+ _refine_ls_restr.number
574
+ _refine_ls_restr.pdbx_restraint_function
575
+ _refine_ls_restr.pdbx_refine_id
576
+ r_bond_refined_d 0.015 0.011 ? 236 ? 'X-RAY DIFFRACTION'
577
+ r_bond_other_d ? ? ? ? ? 'X-RAY DIFFRACTION'
578
+ r_angle_refined_deg 1.706 1.430 ? 367 ? 'X-RAY DIFFRACTION'
579
+ r_angle_other_deg ? ? ? ? ? 'X-RAY DIFFRACTION'
580
+ r_dihedral_angle_1_deg ? ? ? ? ? 'X-RAY DIFFRACTION'
581
+ r_dihedral_angle_2_deg ? ? ? ? ? 'X-RAY DIFFRACTION'
582
+ r_dihedral_angle_3_deg ? ? ? ? ? 'X-RAY DIFFRACTION'
583
+ r_dihedral_angle_4_deg ? ? ? ? ? 'X-RAY DIFFRACTION'
584
+ r_chiral_restr 0.082 0.200 ? 40 ? 'X-RAY DIFFRACTION'
585
+ r_gen_planes_refined 0.028 0.020 ? 105 ? 'X-RAY DIFFRACTION'
586
+ r_gen_planes_other ? ? ? ? ? 'X-RAY DIFFRACTION'
587
+ r_nbd_refined ? ? ? ? ? 'X-RAY DIFFRACTION'
588
+ r_nbd_other ? ? ? ? ? 'X-RAY DIFFRACTION'
589
+ r_nbtor_refined ? ? ? ? ? 'X-RAY DIFFRACTION'
590
+ r_nbtor_other ? ? ? ? ? 'X-RAY DIFFRACTION'
591
+ r_xyhbond_nbd_refined ? ? ? ? ? 'X-RAY DIFFRACTION'
592
+ r_xyhbond_nbd_other ? ? ? ? ? 'X-RAY DIFFRACTION'
593
+ r_metal_ion_refined ? ? ? ? ? 'X-RAY DIFFRACTION'
594
+ r_metal_ion_other ? ? ? ? ? 'X-RAY DIFFRACTION'
595
+ r_symmetry_vdw_refined ? ? ? ? ? 'X-RAY DIFFRACTION'
596
+ r_symmetry_vdw_other ? ? ? ? ? 'X-RAY DIFFRACTION'
597
+ r_symmetry_hbond_refined ? ? ? ? ? 'X-RAY DIFFRACTION'
598
+ r_symmetry_hbond_other ? ? ? ? ? 'X-RAY DIFFRACTION'
599
+ r_symmetry_metal_ion_refined ? ? ? ? ? 'X-RAY DIFFRACTION'
600
+ r_symmetry_metal_ion_other ? ? ? ? ? 'X-RAY DIFFRACTION'
601
+ r_mcbond_it ? ? ? ? ? 'X-RAY DIFFRACTION'
602
+ r_mcbond_other ? ? ? ? ? 'X-RAY DIFFRACTION'
603
+ r_mcangle_it ? ? ? ? ? 'X-RAY DIFFRACTION'
604
+ r_mcangle_other ? ? ? ? ? 'X-RAY DIFFRACTION'
605
+ r_scbond_it ? ? ? ? ? 'X-RAY DIFFRACTION'
606
+ r_scbond_other ? ? ? ? ? 'X-RAY DIFFRACTION'
607
+ r_scangle_it ? ? ? ? ? 'X-RAY DIFFRACTION'
608
+ r_scangle_other ? ? ? ? ? 'X-RAY DIFFRACTION'
609
+ r_long_range_B_refined ? ? ? ? ? 'X-RAY DIFFRACTION'
610
+ r_long_range_B_other ? ? ? ? ? 'X-RAY DIFFRACTION'
611
+ r_rigid_bond_restr ? ? ? ? ? 'X-RAY DIFFRACTION'
612
+ r_sphericity_free ? ? ? ? ? 'X-RAY DIFFRACTION'
613
+ r_sphericity_bonded ? ? ? ? ? 'X-RAY DIFFRACTION'
614
+ #
615
+ _refine_ls_shell.pdbx_total_number_of_bins_used 20
616
+ _refine_ls_shell.d_res_high 1.323
617
+ _refine_ls_shell.d_res_low 1.357
618
+ _refine_ls_shell.number_reflns_R_work 313
619
+ _refine_ls_shell.R_factor_R_work 0.231
620
+ _refine_ls_shell.percent_reflns_obs 90.53
621
+ _refine_ls_shell.R_factor_R_free 0.219
622
+ _refine_ls_shell.R_factor_R_free_error ?
623
+ _refine_ls_shell.percent_reflns_R_free ?
624
+ _refine_ls_shell.number_reflns_R_free 12
625
+ _refine_ls_shell.number_reflns_all ?
626
+ _refine_ls_shell.R_factor_all ?
627
+ _refine_ls_shell.number_reflns_obs ?
628
+ _refine_ls_shell.redundancy_reflns_obs ?
629
+ _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
630
+ _refine_ls_shell.R_factor_obs ?
631
+ #
632
+ _database_PDB_matrix.entry_id 4MS9
633
+ _database_PDB_matrix.origx[1][1] 1.000000
634
+ _database_PDB_matrix.origx[1][2] 0.000000
635
+ _database_PDB_matrix.origx[1][3] 0.000000
636
+ _database_PDB_matrix.origx[2][1] 0.000000
637
+ _database_PDB_matrix.origx[2][2] 1.000000
638
+ _database_PDB_matrix.origx[2][3] 0.000000
639
+ _database_PDB_matrix.origx[3][1] 0.000000
640
+ _database_PDB_matrix.origx[3][2] 0.000000
641
+ _database_PDB_matrix.origx[3][3] 1.000000
642
+ _database_PDB_matrix.origx_vector[1] 0.00000
643
+ _database_PDB_matrix.origx_vector[2] 0.00000
644
+ _database_PDB_matrix.origx_vector[3] 0.00000
645
+ #
646
+ _struct.entry_id 4MS9
647
+ _struct.title 'Native RNA-10mer Structure: ccggcgccgg'
648
+ _struct.pdbx_model_details ?
649
+ _struct.pdbx_CASP_flag ?
650
+ _struct.pdbx_model_type_details ?
651
+ #
652
+ _struct_keywords.entry_id 4MS9
653
+ _struct_keywords.pdbx_keywords RNA
654
+ _struct_keywords.text 'RNA native duplex 10mer, RNA'
655
+ #
656
+ loop_
657
+ _struct_asym.id
658
+ _struct_asym.pdbx_blank_PDB_chainid_flag
659
+ _struct_asym.pdbx_modified
660
+ _struct_asym.entity_id
661
+ _struct_asym.details
662
+ A N N 1 ?
663
+ B N N 2 ?
664
+ C N N 2 ?
665
+ D N N 2 ?
666
+ E N N 3 ?
667
+ #
668
+ _struct_ref.id 1
669
+ _struct_ref.db_name PDB
670
+ _struct_ref.db_code 4MS9
671
+ _struct_ref.pdbx_db_accession 4MS9
672
+ _struct_ref.entity_id 1
673
+ _struct_ref.pdbx_align_begin ?
674
+ _struct_ref.pdbx_seq_one_letter_code CCGGCGCCGG
675
+ _struct_ref.pdbx_db_isoform ?
676
+ #
677
+ _struct_ref_seq.align_id 1
678
+ _struct_ref_seq.ref_id 1
679
+ _struct_ref_seq.pdbx_PDB_id_code 4MS9
680
+ _struct_ref_seq.pdbx_strand_id A
681
+ _struct_ref_seq.seq_align_beg 1
682
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
683
+ _struct_ref_seq.seq_align_end 10
684
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
685
+ _struct_ref_seq.pdbx_db_accession 4MS9
686
+ _struct_ref_seq.db_align_beg 1
687
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
688
+ _struct_ref_seq.db_align_end 10
689
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
690
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
691
+ _struct_ref_seq.pdbx_auth_seq_align_end 10
692
+ #
693
+ _pdbx_struct_assembly.id 1
694
+ _pdbx_struct_assembly.details author_and_software_defined_assembly
695
+ _pdbx_struct_assembly.method_details PISA
696
+ _pdbx_struct_assembly.oligomeric_details dimeric
697
+ _pdbx_struct_assembly.oligomeric_count 2
698
+ #
699
+ loop_
700
+ _pdbx_struct_assembly_prop.biol_id
701
+ _pdbx_struct_assembly_prop.type
702
+ _pdbx_struct_assembly_prop.value
703
+ _pdbx_struct_assembly_prop.details
704
+ 1 'ABSA (A^2)' 2230 ?
705
+ 1 MORE -171 ?
706
+ 1 'SSA (A^2)' 3850 ?
707
+ #
708
+ _pdbx_struct_assembly_gen.assembly_id 1
709
+ _pdbx_struct_assembly_gen.oper_expression 1,2
710
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E
711
+ #
712
+ loop_
713
+ _pdbx_struct_oper_list.id
714
+ _pdbx_struct_oper_list.type
715
+ _pdbx_struct_oper_list.name
716
+ _pdbx_struct_oper_list.symmetry_operation
717
+ _pdbx_struct_oper_list.matrix[1][1]
718
+ _pdbx_struct_oper_list.matrix[1][2]
719
+ _pdbx_struct_oper_list.matrix[1][3]
720
+ _pdbx_struct_oper_list.vector[1]
721
+ _pdbx_struct_oper_list.matrix[2][1]
722
+ _pdbx_struct_oper_list.matrix[2][2]
723
+ _pdbx_struct_oper_list.matrix[2][3]
724
+ _pdbx_struct_oper_list.vector[2]
725
+ _pdbx_struct_oper_list.matrix[3][1]
726
+ _pdbx_struct_oper_list.matrix[3][2]
727
+ _pdbx_struct_oper_list.matrix[3][3]
728
+ _pdbx_struct_oper_list.vector[3]
729
+ 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
730
+ 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
731
+ 2 'crystal symmetry operation' 4_555 y,x,-z -0.5000000000 0.8660254038 0.0000000000 0.0000000000 0.8660254038 0.5000000000
732
+ 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000
733
+ #
734
+ loop_
735
+ _struct_conn.id
736
+ _struct_conn.conn_type_id
737
+ _struct_conn.pdbx_leaving_atom_flag
738
+ _struct_conn.pdbx_PDB_id
739
+ _struct_conn.ptnr1_label_asym_id
740
+ _struct_conn.ptnr1_label_comp_id
741
+ _struct_conn.ptnr1_label_seq_id
742
+ _struct_conn.ptnr1_label_atom_id
743
+ _struct_conn.pdbx_ptnr1_label_alt_id
744
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
745
+ _struct_conn.pdbx_ptnr1_standard_comp_id
746
+ _struct_conn.ptnr1_symmetry
747
+ _struct_conn.ptnr2_label_asym_id
748
+ _struct_conn.ptnr2_label_comp_id
749
+ _struct_conn.ptnr2_label_seq_id
750
+ _struct_conn.ptnr2_label_atom_id
751
+ _struct_conn.pdbx_ptnr2_label_alt_id
752
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
753
+ _struct_conn.ptnr1_auth_asym_id
754
+ _struct_conn.ptnr1_auth_comp_id
755
+ _struct_conn.ptnr1_auth_seq_id
756
+ _struct_conn.ptnr2_auth_asym_id
757
+ _struct_conn.ptnr2_auth_comp_id
758
+ _struct_conn.ptnr2_auth_seq_id
759
+ _struct_conn.ptnr2_symmetry
760
+ _struct_conn.pdbx_ptnr3_label_atom_id
761
+ _struct_conn.pdbx_ptnr3_label_seq_id
762
+ _struct_conn.pdbx_ptnr3_label_comp_id
763
+ _struct_conn.pdbx_ptnr3_label_asym_id
764
+ _struct_conn.pdbx_ptnr3_label_alt_id
765
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
766
+ _struct_conn.details
767
+ _struct_conn.pdbx_dist_value
768
+ _struct_conn.pdbx_value_order
769
+ _struct_conn.pdbx_role
770
+ metalc1 metalc ? ? A G 4 O6 ? ? ? 1_555 B SR . SR ? ? A G 4 A SR 101 1_555 ? ? ? ? ? ? ? 2.739 ? ?
771
+ metalc2 metalc ? ? A G 10 "O3'" ? ? ? 1_555 C SR . SR ? ? A G 10 A SR 102 1_555 ? ? ? ? ? ? ? 2.566 ? ?
772
+ metalc3 metalc ? ? A G 10 "O2'" ? ? ? 1_555 D SR . SR ? ? A G 10 A SR 103 1_555 ? ? ? ? ? ? ? 2.526 ? ?
773
+ metalc4 metalc ? ? A G 10 "O3'" ? ? ? 1_555 D SR . SR ? ? A G 10 A SR 103 1_555 ? ? ? ? ? ? ? 2.683 ? ?
774
+ metalc5 metalc ? ? B SR . SR ? ? ? 1_555 E HOH . O ? ? A SR 101 A HOH 202 1_555 ? ? ? ? ? ? ? 2.661 ? ?
775
+ metalc6 metalc ? ? B SR . SR ? ? ? 1_555 E HOH . O ? ? A SR 101 A HOH 206 1_555 ? ? ? ? ? ? ? 2.537 ? ?
776
+ metalc7 metalc ? ? B SR . SR ? ? ? 1_555 E HOH . O ? ? A SR 101 A HOH 227 1_555 ? ? ? ? ? ? ? 2.580 ? ?
777
+ metalc8 metalc ? ? B SR . SR ? ? ? 1_555 E HOH . O ? ? A SR 101 A HOH 246 1_555 ? ? ? ? ? ? ? 2.360 ? ?
778
+ metalc9 metalc ? ? B SR . SR ? ? ? 1_555 E HOH . O ? ? A SR 101 A HOH 247 1_555 ? ? ? ? ? ? ? 2.491 ? ?
779
+ metalc10 metalc ? ? C SR . SR ? ? ? 1_555 E HOH . O ? ? A SR 102 A HOH 249 1_555 ? ? ? ? ? ? ? 2.834 ? ?
780
+ hydrog1 hydrog ? ? A C 1 N3 ? ? ? 1_555 A G 10 N1 ? ? A C 1 A G 10 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
781
+ hydrog2 hydrog ? ? A C 1 N4 ? ? ? 1_555 A G 10 O6 ? ? A C 1 A G 10 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
782
+ hydrog3 hydrog ? ? A C 1 O2 ? ? ? 1_555 A G 10 N2 ? ? A C 1 A G 10 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
783
+ hydrog4 hydrog ? ? A C 2 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 2 A G 9 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
784
+ hydrog5 hydrog ? ? A C 2 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 2 A G 9 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
785
+ hydrog6 hydrog ? ? A C 2 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 2 A G 9 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
786
+ hydrog7 hydrog ? ? A G 3 N1 ? ? ? 1_555 A C 8 N3 ? ? A G 3 A C 8 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
787
+ hydrog8 hydrog ? ? A G 3 N2 ? ? ? 1_555 A C 8 O2 ? ? A G 3 A C 8 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
788
+ hydrog9 hydrog ? ? A G 3 O6 ? ? ? 1_555 A C 8 N4 ? ? A G 3 A C 8 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
789
+ hydrog10 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 7 N3 ? ? A G 4 A C 7 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
790
+ hydrog11 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 7 O2 ? ? A G 4 A C 7 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
791
+ hydrog12 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 7 N4 ? ? A G 4 A C 7 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
792
+ hydrog13 hydrog ? ? A C 5 N3 ? ? ? 1_555 A G 6 N1 ? ? A C 5 A G 6 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
793
+ hydrog14 hydrog ? ? A C 5 N4 ? ? ? 1_555 A G 6 O6 ? ? A C 5 A G 6 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
794
+ hydrog15 hydrog ? ? A C 5 O2 ? ? ? 1_555 A G 6 N2 ? ? A C 5 A G 6 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
795
+ hydrog16 hydrog ? ? A G 6 N1 ? ? ? 1_555 A C 5 N3 ? ? A G 6 A C 5 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
796
+ hydrog17 hydrog ? ? A G 6 N2 ? ? ? 1_555 A C 5 O2 ? ? A G 6 A C 5 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
797
+ hydrog18 hydrog ? ? A G 6 O6 ? ? ? 1_555 A C 5 N4 ? ? A G 6 A C 5 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
798
+ hydrog19 hydrog ? ? A C 7 N3 ? ? ? 1_555 A G 4 N1 ? ? A C 7 A G 4 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
799
+ hydrog20 hydrog ? ? A C 7 N4 ? ? ? 1_555 A G 4 O6 ? ? A C 7 A G 4 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
800
+ hydrog21 hydrog ? ? A C 7 O2 ? ? ? 1_555 A G 4 N2 ? ? A C 7 A G 4 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
801
+ hydrog22 hydrog ? ? A C 8 N3 ? ? ? 1_555 A G 3 N1 ? ? A C 8 A G 3 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
802
+ hydrog23 hydrog ? ? A C 8 N4 ? ? ? 1_555 A G 3 O6 ? ? A C 8 A G 3 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
803
+ hydrog24 hydrog ? ? A C 8 O2 ? ? ? 1_555 A G 3 N2 ? ? A C 8 A G 3 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
804
+ hydrog25 hydrog ? ? A G 9 N1 ? ? ? 1_555 A C 2 N3 ? ? A G 9 A C 2 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
805
+ hydrog26 hydrog ? ? A G 9 N2 ? ? ? 1_555 A C 2 O2 ? ? A G 9 A C 2 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
806
+ hydrog27 hydrog ? ? A G 9 O6 ? ? ? 1_555 A C 2 N4 ? ? A G 9 A C 2 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
807
+ hydrog28 hydrog ? ? A G 10 N1 ? ? ? 1_555 A C 1 N3 ? ? A G 10 A C 1 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
808
+ hydrog29 hydrog ? ? A G 10 N2 ? ? ? 1_555 A C 1 O2 ? ? A G 10 A C 1 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
809
+ hydrog30 hydrog ? ? A G 10 O6 ? ? ? 1_555 A C 1 N4 ? ? A G 10 A C 1 4_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
810
+ #
811
+ loop_
812
+ _struct_conn_type.id
813
+ _struct_conn_type.criteria
814
+ _struct_conn_type.reference
815
+ metalc ? ?
816
+ hydrog ? ?
817
+ #
818
+ loop_
819
+ _pdbx_struct_conn_angle.id
820
+ _pdbx_struct_conn_angle.ptnr1_label_atom_id
821
+ _pdbx_struct_conn_angle.ptnr1_label_alt_id
822
+ _pdbx_struct_conn_angle.ptnr1_label_asym_id
823
+ _pdbx_struct_conn_angle.ptnr1_label_comp_id
824
+ _pdbx_struct_conn_angle.ptnr1_label_seq_id
825
+ _pdbx_struct_conn_angle.ptnr1_auth_atom_id
826
+ _pdbx_struct_conn_angle.ptnr1_auth_asym_id
827
+ _pdbx_struct_conn_angle.ptnr1_auth_comp_id
828
+ _pdbx_struct_conn_angle.ptnr1_auth_seq_id
829
+ _pdbx_struct_conn_angle.ptnr1_PDB_ins_code
830
+ _pdbx_struct_conn_angle.ptnr1_symmetry
831
+ _pdbx_struct_conn_angle.ptnr2_label_atom_id
832
+ _pdbx_struct_conn_angle.ptnr2_label_alt_id
833
+ _pdbx_struct_conn_angle.ptnr2_label_asym_id
834
+ _pdbx_struct_conn_angle.ptnr2_label_comp_id
835
+ _pdbx_struct_conn_angle.ptnr2_label_seq_id
836
+ _pdbx_struct_conn_angle.ptnr2_auth_atom_id
837
+ _pdbx_struct_conn_angle.ptnr2_auth_asym_id
838
+ _pdbx_struct_conn_angle.ptnr2_auth_comp_id
839
+ _pdbx_struct_conn_angle.ptnr2_auth_seq_id
840
+ _pdbx_struct_conn_angle.ptnr2_PDB_ins_code
841
+ _pdbx_struct_conn_angle.ptnr2_symmetry
842
+ _pdbx_struct_conn_angle.ptnr3_label_atom_id
843
+ _pdbx_struct_conn_angle.ptnr3_label_alt_id
844
+ _pdbx_struct_conn_angle.ptnr3_label_asym_id
845
+ _pdbx_struct_conn_angle.ptnr3_label_comp_id
846
+ _pdbx_struct_conn_angle.ptnr3_label_seq_id
847
+ _pdbx_struct_conn_angle.ptnr3_auth_atom_id
848
+ _pdbx_struct_conn_angle.ptnr3_auth_asym_id
849
+ _pdbx_struct_conn_angle.ptnr3_auth_comp_id
850
+ _pdbx_struct_conn_angle.ptnr3_auth_seq_id
851
+ _pdbx_struct_conn_angle.ptnr3_PDB_ins_code
852
+ _pdbx_struct_conn_angle.ptnr3_symmetry
853
+ _pdbx_struct_conn_angle.value
854
+ _pdbx_struct_conn_angle.value_esd
855
+ 1 O6 ? A G 4 ? A G 4 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 202 ? 1_555 108.8 ?
856
+ 2 O6 ? A G 4 ? A G 4 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 206 ? 1_555 83.6 ?
857
+ 3 O ? E HOH . ? A HOH 202 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 206 ? 1_555 77.7 ?
858
+ 4 O6 ? A G 4 ? A G 4 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 227 ? 1_555 70.6 ?
859
+ 5 O ? E HOH . ? A HOH 202 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 227 ? 1_555 69.3 ?
860
+ 6 O ? E HOH . ? A HOH 206 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 227 ? 1_555 127.6 ?
861
+ 7 O6 ? A G 4 ? A G 4 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 246 ? 1_555 133.7 ?
862
+ 8 O ? E HOH . ? A HOH 202 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 246 ? 1_555 81.3 ?
863
+ 9 O ? E HOH . ? A HOH 206 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 246 ? 1_555 141.7 ?
864
+ 10 O ? E HOH . ? A HOH 227 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 246 ? 1_555 71.6 ?
865
+ 11 O6 ? A G 4 ? A G 4 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 247 ? 1_555 120.6 ?
866
+ 12 O ? E HOH . ? A HOH 202 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 247 ? 1_555 117.4 ?
867
+ 13 O ? E HOH . ? A HOH 206 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 247 ? 1_555 72.5 ?
868
+ 14 O ? E HOH . ? A HOH 227 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 247 ? 1_555 159.5 ?
869
+ 15 O ? E HOH . ? A HOH 246 ? 1_555 SR ? B SR . ? A SR 101 ? 1_555 O ? E HOH . ? A HOH 247 ? 1_555 89.8 ?
870
+ 16 "O3'" ? A G 10 ? A G 10 ? 1_555 SR ? C SR . ? A SR 102 ? 1_555 O ? E HOH . ? A HOH 249 ? 1_555 83.4 ?
871
+ 17 "O2'" ? A G 10 ? A G 10 ? 1_555 SR ? D SR . ? A SR 103 ? 1_555 "O3'" ? A G 10 ? A G 10 ? 1_555 62.2 ?
872
+ #
873
+ loop_
874
+ _struct_site.id
875
+ _struct_site.pdbx_evidence_code
876
+ _struct_site.pdbx_auth_asym_id
877
+ _struct_site.pdbx_auth_comp_id
878
+ _struct_site.pdbx_auth_seq_id
879
+ _struct_site.pdbx_auth_ins_code
880
+ _struct_site.pdbx_num_residues
881
+ _struct_site.details
882
+ AC1 Software A SR 101 ? 7 'BINDING SITE FOR RESIDUE SR A 101'
883
+ AC2 Software A SR 102 ? 4 'BINDING SITE FOR RESIDUE SR A 102'
884
+ AC3 Software A SR 103 ? 3 'BINDING SITE FOR RESIDUE SR A 103'
885
+ #
886
+ loop_
887
+ _struct_site_gen.id
888
+ _struct_site_gen.site_id
889
+ _struct_site_gen.pdbx_num_res
890
+ _struct_site_gen.label_comp_id
891
+ _struct_site_gen.label_asym_id
892
+ _struct_site_gen.label_seq_id
893
+ _struct_site_gen.pdbx_auth_ins_code
894
+ _struct_site_gen.auth_comp_id
895
+ _struct_site_gen.auth_asym_id
896
+ _struct_site_gen.auth_seq_id
897
+ _struct_site_gen.label_atom_id
898
+ _struct_site_gen.label_alt_id
899
+ _struct_site_gen.symmetry
900
+ _struct_site_gen.details
901
+ 1 AC1 7 G A 4 ? G A 4 . ? 1_555 ?
902
+ 2 AC1 7 HOH E . ? HOH A 202 . ? 1_555 ?
903
+ 3 AC1 7 HOH E . ? HOH A 206 . ? 1_555 ?
904
+ 4 AC1 7 HOH E . ? HOH A 220 . ? 4_555 ?
905
+ 5 AC1 7 HOH E . ? HOH A 227 . ? 1_555 ?
906
+ 6 AC1 7 HOH E . ? HOH A 246 . ? 1_555 ?
907
+ 7 AC1 7 HOH E . ? HOH A 247 . ? 1_555 ?
908
+ 8 AC2 4 G A 10 ? G A 10 . ? 1_555 ?
909
+ 9 AC2 4 SR D . ? SR A 103 . ? 1_555 ?
910
+ 10 AC2 4 HOH E . ? HOH A 210 . ? 1_555 ?
911
+ 11 AC2 4 HOH E . ? HOH A 249 . ? 1_555 ?
912
+ 12 AC3 3 G A 10 ? G A 10 . ? 1_555 ?
913
+ 13 AC3 3 SR C . ? SR A 102 . ? 1_555 ?
914
+ 14 AC3 3 HOH E . ? HOH A 232 . ? 5_434 ?
915
+ #
916
+ _pdbx_validate_rmsd_bond.id 1
917
+ _pdbx_validate_rmsd_bond.PDB_model_num 1
918
+ _pdbx_validate_rmsd_bond.auth_atom_id_1 P
919
+ _pdbx_validate_rmsd_bond.auth_asym_id_1 A
920
+ _pdbx_validate_rmsd_bond.auth_comp_id_1 G
921
+ _pdbx_validate_rmsd_bond.auth_seq_id_1 9
922
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1 ?
923
+ _pdbx_validate_rmsd_bond.label_alt_id_1 ?
924
+ _pdbx_validate_rmsd_bond.auth_atom_id_2 OP2
925
+ _pdbx_validate_rmsd_bond.auth_asym_id_2 A
926
+ _pdbx_validate_rmsd_bond.auth_comp_id_2 G
927
+ _pdbx_validate_rmsd_bond.auth_seq_id_2 9
928
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2 ?
929
+ _pdbx_validate_rmsd_bond.label_alt_id_2 ?
930
+ _pdbx_validate_rmsd_bond.bond_value 1.382
931
+ _pdbx_validate_rmsd_bond.bond_target_value 1.485
932
+ _pdbx_validate_rmsd_bond.bond_deviation -0.103
933
+ _pdbx_validate_rmsd_bond.bond_standard_deviation 0.017
934
+ _pdbx_validate_rmsd_bond.linker_flag N
935
+ #
936
+ loop_
937
+ _chem_comp_atom.comp_id
938
+ _chem_comp_atom.atom_id
939
+ _chem_comp_atom.type_symbol
940
+ _chem_comp_atom.pdbx_aromatic_flag
941
+ _chem_comp_atom.pdbx_stereo_config
942
+ _chem_comp_atom.pdbx_ordinal
943
+ C OP3 O N N 1
944
+ C P P N N 2
945
+ C OP1 O N N 3
946
+ C OP2 O N N 4
947
+ C "O5'" O N N 5
948
+ C "C5'" C N N 6
949
+ C "C4'" C N R 7
950
+ C "O4'" O N N 8
951
+ C "C3'" C N S 9
952
+ C "O3'" O N N 10
953
+ C "C2'" C N R 11
954
+ C "O2'" O N N 12
955
+ C "C1'" C N R 13
956
+ C N1 N N N 14
957
+ C C2 C N N 15
958
+ C O2 O N N 16
959
+ C N3 N N N 17
960
+ C C4 C N N 18
961
+ C N4 N N N 19
962
+ C C5 C N N 20
963
+ C C6 C N N 21
964
+ C HOP3 H N N 22
965
+ C HOP2 H N N 23
966
+ C "H5'" H N N 24
967
+ C "H5''" H N N 25
968
+ C "H4'" H N N 26
969
+ C "H3'" H N N 27
970
+ C "HO3'" H N N 28
971
+ C "H2'" H N N 29
972
+ C "HO2'" H N N 30
973
+ C "H1'" H N N 31
974
+ C H41 H N N 32
975
+ C H42 H N N 33
976
+ C H5 H N N 34
977
+ C H6 H N N 35
978
+ G OP3 O N N 36
979
+ G P P N N 37
980
+ G OP1 O N N 38
981
+ G OP2 O N N 39
982
+ G "O5'" O N N 40
983
+ G "C5'" C N N 41
984
+ G "C4'" C N R 42
985
+ G "O4'" O N N 43
986
+ G "C3'" C N S 44
987
+ G "O3'" O N N 45
988
+ G "C2'" C N R 46
989
+ G "O2'" O N N 47
990
+ G "C1'" C N R 48
991
+ G N9 N Y N 49
992
+ G C8 C Y N 50
993
+ G N7 N Y N 51
994
+ G C5 C Y N 52
995
+ G C6 C N N 53
996
+ G O6 O N N 54
997
+ G N1 N N N 55
998
+ G C2 C N N 56
999
+ G N2 N N N 57
1000
+ G N3 N N N 58
1001
+ G C4 C Y N 59
1002
+ G HOP3 H N N 60
1003
+ G HOP2 H N N 61
1004
+ G "H5'" H N N 62
1005
+ G "H5''" H N N 63
1006
+ G "H4'" H N N 64
1007
+ G "H3'" H N N 65
1008
+ G "HO3'" H N N 66
1009
+ G "H2'" H N N 67
1010
+ G "HO2'" H N N 68
1011
+ G "H1'" H N N 69
1012
+ G H8 H N N 70
1013
+ G H1 H N N 71
1014
+ G H21 H N N 72
1015
+ G H22 H N N 73
1016
+ HOH O O N N 74
1017
+ HOH H1 H N N 75
1018
+ HOH H2 H N N 76
1019
+ SR SR SR N N 77
1020
+ #
1021
+ loop_
1022
+ _chem_comp_bond.comp_id
1023
+ _chem_comp_bond.atom_id_1
1024
+ _chem_comp_bond.atom_id_2
1025
+ _chem_comp_bond.value_order
1026
+ _chem_comp_bond.pdbx_aromatic_flag
1027
+ _chem_comp_bond.pdbx_stereo_config
1028
+ _chem_comp_bond.pdbx_ordinal
1029
+ C OP3 P sing N N 1
1030
+ C OP3 HOP3 sing N N 2
1031
+ C P OP1 doub N N 3
1032
+ C P OP2 sing N N 4
1033
+ C P "O5'" sing N N 5
1034
+ C OP2 HOP2 sing N N 6
1035
+ C "O5'" "C5'" sing N N 7
1036
+ C "C5'" "C4'" sing N N 8
1037
+ C "C5'" "H5'" sing N N 9
1038
+ C "C5'" "H5''" sing N N 10
1039
+ C "C4'" "O4'" sing N N 11
1040
+ C "C4'" "C3'" sing N N 12
1041
+ C "C4'" "H4'" sing N N 13
1042
+ C "O4'" "C1'" sing N N 14
1043
+ C "C3'" "O3'" sing N N 15
1044
+ C "C3'" "C2'" sing N N 16
1045
+ C "C3'" "H3'" sing N N 17
1046
+ C "O3'" "HO3'" sing N N 18
1047
+ C "C2'" "O2'" sing N N 19
1048
+ C "C2'" "C1'" sing N N 20
1049
+ C "C2'" "H2'" sing N N 21
1050
+ C "O2'" "HO2'" sing N N 22
1051
+ C "C1'" N1 sing N N 23
1052
+ C "C1'" "H1'" sing N N 24
1053
+ C N1 C2 sing N N 25
1054
+ C N1 C6 sing N N 26
1055
+ C C2 O2 doub N N 27
1056
+ C C2 N3 sing N N 28
1057
+ C N3 C4 doub N N 29
1058
+ C C4 N4 sing N N 30
1059
+ C C4 C5 sing N N 31
1060
+ C N4 H41 sing N N 32
1061
+ C N4 H42 sing N N 33
1062
+ C C5 C6 doub N N 34
1063
+ C C5 H5 sing N N 35
1064
+ C C6 H6 sing N N 36
1065
+ G OP3 P sing N N 37
1066
+ G OP3 HOP3 sing N N 38
1067
+ G P OP1 doub N N 39
1068
+ G P OP2 sing N N 40
1069
+ G P "O5'" sing N N 41
1070
+ G OP2 HOP2 sing N N 42
1071
+ G "O5'" "C5'" sing N N 43
1072
+ G "C5'" "C4'" sing N N 44
1073
+ G "C5'" "H5'" sing N N 45
1074
+ G "C5'" "H5''" sing N N 46
1075
+ G "C4'" "O4'" sing N N 47
1076
+ G "C4'" "C3'" sing N N 48
1077
+ G "C4'" "H4'" sing N N 49
1078
+ G "O4'" "C1'" sing N N 50
1079
+ G "C3'" "O3'" sing N N 51
1080
+ G "C3'" "C2'" sing N N 52
1081
+ G "C3'" "H3'" sing N N 53
1082
+ G "O3'" "HO3'" sing N N 54
1083
+ G "C2'" "O2'" sing N N 55
1084
+ G "C2'" "C1'" sing N N 56
1085
+ G "C2'" "H2'" sing N N 57
1086
+ G "O2'" "HO2'" sing N N 58
1087
+ G "C1'" N9 sing N N 59
1088
+ G "C1'" "H1'" sing N N 60
1089
+ G N9 C8 sing Y N 61
1090
+ G N9 C4 sing Y N 62
1091
+ G C8 N7 doub Y N 63
1092
+ G C8 H8 sing N N 64
1093
+ G N7 C5 sing Y N 65
1094
+ G C5 C6 sing N N 66
1095
+ G C5 C4 doub Y N 67
1096
+ G C6 O6 doub N N 68
1097
+ G C6 N1 sing N N 69
1098
+ G N1 C2 sing N N 70
1099
+ G N1 H1 sing N N 71
1100
+ G C2 N2 sing N N 72
1101
+ G C2 N3 doub N N 73
1102
+ G N2 H21 sing N N 74
1103
+ G N2 H22 sing N N 75
1104
+ G N3 C4 sing N N 76
1105
+ HOH O H1 sing N N 77
1106
+ HOH O H2 sing N N 78
1107
+ #
1108
+ _ndb_struct_conf_na.entry_id 4MS9
1109
+ _ndb_struct_conf_na.feature 'a-form double helix'
1110
+ #
1111
+ loop_
1112
+ _ndb_struct_na_base_pair.model_number
1113
+ _ndb_struct_na_base_pair.i_label_asym_id
1114
+ _ndb_struct_na_base_pair.i_label_comp_id
1115
+ _ndb_struct_na_base_pair.i_label_seq_id
1116
+ _ndb_struct_na_base_pair.i_symmetry
1117
+ _ndb_struct_na_base_pair.j_label_asym_id
1118
+ _ndb_struct_na_base_pair.j_label_comp_id
1119
+ _ndb_struct_na_base_pair.j_label_seq_id
1120
+ _ndb_struct_na_base_pair.j_symmetry
1121
+ _ndb_struct_na_base_pair.shear
1122
+ _ndb_struct_na_base_pair.stretch
1123
+ _ndb_struct_na_base_pair.stagger
1124
+ _ndb_struct_na_base_pair.buckle
1125
+ _ndb_struct_na_base_pair.propeller
1126
+ _ndb_struct_na_base_pair.opening
1127
+ _ndb_struct_na_base_pair.pair_number
1128
+ _ndb_struct_na_base_pair.pair_name
1129
+ _ndb_struct_na_base_pair.i_auth_asym_id
1130
+ _ndb_struct_na_base_pair.i_auth_seq_id
1131
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1132
+ _ndb_struct_na_base_pair.j_auth_asym_id
1133
+ _ndb_struct_na_base_pair.j_auth_seq_id
1134
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1135
+ _ndb_struct_na_base_pair.hbond_type_28
1136
+ _ndb_struct_na_base_pair.hbond_type_12
1137
+ 1 A C 1 1_555 A G 10 4_555 0.072 -0.077 0.040 12.507 -13.201 -0.782 1 A_C1:G10_A A 1 ? A 10 ? 19 1
1138
+ 1 A C 2 1_555 A G 9 4_555 0.131 -0.144 -0.051 10.596 -17.332 0.782 2 A_C2:G9_A A 2 ? A 9 ? 19 1
1139
+ 1 A G 3 1_555 A C 8 4_555 -0.119 -0.169 0.065 0.757 -10.220 -1.653 3 A_G3:C8_A A 3 ? A 8 ? 19 1
1140
+ 1 A G 4 1_555 A C 7 4_555 -0.144 -0.037 0.092 -4.957 -17.116 3.616 4 A_G4:C7_A A 4 ? A 7 ? 19 1
1141
+ 1 A C 5 1_555 A G 6 4_555 0.186 -0.169 0.128 -1.102 -12.757 -1.844 5 A_C5:G6_A A 5 ? A 6 ? 19 1
1142
+ 1 A G 6 1_555 A C 5 4_555 -0.186 -0.169 0.128 1.102 -12.757 -1.843 6 A_G6:C5_A A 6 ? A 5 ? 19 1
1143
+ 1 A C 7 1_555 A G 4 4_555 0.144 -0.037 0.092 4.957 -17.116 3.616 7 A_C7:G4_A A 7 ? A 4 ? 19 1
1144
+ 1 A C 8 1_555 A G 3 4_555 0.119 -0.169 0.065 -0.757 -10.220 -1.653 8 A_C8:G3_A A 8 ? A 3 ? 19 1
1145
+ 1 A G 9 1_555 A C 2 4_555 -0.131 -0.144 -0.051 -10.596 -17.332 0.782 9 A_G9:C2_A A 9 ? A 2 ? 19 1
1146
+ 1 A G 10 1_555 A C 1 4_555 -0.072 -0.077 0.040 -12.507 -13.201 -0.782 10 A_G10:C1_A A 10 ? A 1 ? 19 1
1147
+ #
1148
+ loop_
1149
+ _ndb_struct_na_base_pair_step.model_number
1150
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1151
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1152
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1153
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1154
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1155
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1156
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1157
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1158
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1159
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1160
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1161
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1162
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1163
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1164
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1165
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1166
+ _ndb_struct_na_base_pair_step.shift
1167
+ _ndb_struct_na_base_pair_step.slide
1168
+ _ndb_struct_na_base_pair_step.rise
1169
+ _ndb_struct_na_base_pair_step.tilt
1170
+ _ndb_struct_na_base_pair_step.roll
1171
+ _ndb_struct_na_base_pair_step.twist
1172
+ _ndb_struct_na_base_pair_step.x_displacement
1173
+ _ndb_struct_na_base_pair_step.y_displacement
1174
+ _ndb_struct_na_base_pair_step.helical_rise
1175
+ _ndb_struct_na_base_pair_step.inclination
1176
+ _ndb_struct_na_base_pair_step.tip
1177
+ _ndb_struct_na_base_pair_step.helical_twist
1178
+ _ndb_struct_na_base_pair_step.step_number
1179
+ _ndb_struct_na_base_pair_step.step_name
1180
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1181
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1182
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1183
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1184
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1185
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1186
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1187
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1188
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1189
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1190
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1191
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1192
+ 1 A C 1 1_555 A G 10 4_555 A C 2 1_555 A G 9 4_555 -0.662 -1.978 3.297 -4.088 5.999 30.723 -4.715 0.485 2.930 11.129 7.584
1193
+ 31.549 1 AA_C1C2:G9G10_AA A 1 ? A 10 ? A 2 ? A 9 ?
1194
+ 1 A C 2 1_555 A G 9 4_555 A G 3 1_555 A C 8 4_555 -0.810 -1.738 3.398 -2.741 11.234 30.253 -5.026 0.989 2.661 20.603 5.028
1195
+ 32.339 2 AA_C2G3:C8G9_AA A 2 ? A 9 ? A 3 ? A 8 ?
1196
+ 1 A G 3 1_555 A C 8 4_555 A G 4 1_555 A C 7 4_555 0.718 -1.505 3.315 2.031 6.636 33.555 -3.576 -0.907 3.008 11.344 -3.471
1197
+ 34.245 3 AA_G3G4:C7C8_AA A 3 ? A 8 ? A 4 ? A 7 ?
1198
+ 1 A G 4 1_555 A C 7 4_555 A C 5 1_555 A G 6 4_555 -0.631 -1.212 3.129 -1.557 3.366 34.574 -2.514 0.832 3.026 5.644 2.610
1199
+ 34.766 4 AA_G4C5:G6C7_AA A 4 ? A 7 ? A 5 ? A 6 ?
1200
+ 1 A C 5 1_555 A G 6 4_555 A G 6 1_555 A C 5 4_555 0.000 -1.760 3.053 0.000 9.130 28.943 -4.936 0.000 2.399 17.719 0.000
1201
+ 30.319 5 AA_C5G6:C5G6_AA A 5 ? A 6 ? A 6 ? A 5 ?
1202
+ 1 A G 6 1_555 A C 5 4_555 A C 7 1_555 A G 4 4_555 0.631 -1.212 3.129 1.557 3.366 34.574 -2.514 -0.832 3.026 5.644 -2.610
1203
+ 34.766 6 AA_G6C7:G4C5_AA A 6 ? A 5 ? A 7 ? A 4 ?
1204
+ 1 A C 7 1_555 A G 4 4_555 A C 8 1_555 A G 3 4_555 -0.718 -1.505 3.315 -2.031 6.636 33.555 -3.576 0.907 3.008 11.344 3.471
1205
+ 34.245 7 AA_C7C8:G3G4_AA A 7 ? A 4 ? A 8 ? A 3 ?
1206
+ 1 A C 8 1_555 A G 3 4_555 A G 9 1_555 A C 2 4_555 0.810 -1.738 3.398 2.741 11.234 30.253 -5.026 -0.989 2.661 20.603 -5.028
1207
+ 32.339 8 AA_C8G9:C2G3_AA A 8 ? A 3 ? A 9 ? A 2 ?
1208
+ 1 A G 9 1_555 A C 2 4_555 A G 10 1_555 A C 1 4_555 0.662 -1.978 3.297 4.088 5.999 30.723 -4.715 -0.485 2.930 11.129 -7.584
1209
+ 31.549 9 AA_G9G10:C1C2_AA A 9 ? A 2 ? A 10 ? A 1 ?
1210
+ #
1211
+ _atom_sites.entry_id 4MS9
1212
+ _atom_sites.fract_transf_matrix[1][1] 0.044037
1213
+ _atom_sites.fract_transf_matrix[1][2] 0.025425
1214
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
1215
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1216
+ _atom_sites.fract_transf_matrix[2][2] 0.050850
1217
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1218
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1219
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1220
+ _atom_sites.fract_transf_matrix[3][3] 0.012867
1221
+ _atom_sites.fract_transf_vector[1] 0.00000
1222
+ _atom_sites.fract_transf_vector[2] 0.00000
1223
+ _atom_sites.fract_transf_vector[3] 0.00000
1224
+ #
1225
+ loop_
1226
+ _atom_type.symbol
1227
+ C
1228
+ N
1229
+ O
1230
+ P
1231
+ SR
1232
+ #
1233
+ loop_
1234
+ _atom_site.group_PDB
1235
+ _atom_site.id
1236
+ _atom_site.type_symbol
1237
+ _atom_site.label_atom_id
1238
+ _atom_site.label_alt_id
1239
+ _atom_site.label_comp_id
1240
+ _atom_site.label_asym_id
1241
+ _atom_site.label_entity_id
1242
+ _atom_site.label_seq_id
1243
+ _atom_site.pdbx_PDB_ins_code
1244
+ _atom_site.Cartn_x
1245
+ _atom_site.Cartn_y
1246
+ _atom_site.Cartn_z
1247
+ _atom_site.occupancy
1248
+ _atom_site.B_iso_or_equiv
1249
+ _atom_site.pdbx_formal_charge
1250
+ _atom_site.auth_seq_id
1251
+ _atom_site.auth_comp_id
1252
+ _atom_site.auth_asym_id
1253
+ _atom_site.auth_atom_id
1254
+ _atom_site.pdbx_PDB_model_num
1255
+ ATOM 1 O "O5'" . C A 1 1 ? -10.379 -22.683 10.868 1.00 37.00 ? 1 C A "O5'" 1
1256
+ ATOM 2 C "C5'" . C A 1 1 ? -10.778 -21.562 10.017 1.00 29.78 ? 1 C A "C5'" 1
1257
+ ATOM 3 C "C4'" . C A 1 1 ? -12.283 -21.361 10.097 1.00 25.72 ? 1 C A "C4'" 1
1258
+ ATOM 4 O "O4'" . C A 1 1 ? -12.588 -20.605 11.297 1.00 24.91 ? 1 C A "O4'" 1
1259
+ ATOM 5 C "C3'" . C A 1 1 ? -12.884 -20.529 8.970 1.00 20.68 ? 1 C A "C3'" 1
1260
+ ATOM 6 O "O3'" . C A 1 1 ? -13.288 -21.359 7.921 1.00 20.05 ? 1 C A "O3'" 1
1261
+ ATOM 7 C "C2'" . C A 1 1 ? -14.132 -19.983 9.631 1.00 21.65 ? 1 C A "C2'" 1
1262
+ ATOM 8 O "O2'" . C A 1 1 ? -15.129 -20.990 9.680 1.00 21.49 ? 1 C A "O2'" 1
1263
+ ATOM 9 C "C1'" . C A 1 1 ? -13.588 -19.635 11.011 1.00 24.06 ? 1 C A "C1'" 1
1264
+ ATOM 10 N N1 . C A 1 1 ? -12.984 -18.294 11.114 1.00 22.39 ? 1 C A N1 1
1265
+ ATOM 11 C C2 . C A 1 1 ? -13.819 -17.183 11.195 1.00 23.49 ? 1 C A C2 1
1266
+ ATOM 12 O O2 . C A 1 1 ? -15.036 -17.352 11.133 1.00 23.42 ? 1 C A O2 1
1267
+ ATOM 13 N N3 . C A 1 1 ? -13.283 -15.957 11.378 1.00 22.65 ? 1 C A N3 1
1268
+ ATOM 14 C C4 . C A 1 1 ? -11.954 -15.812 11.425 1.00 25.62 ? 1 C A C4 1
1269
+ ATOM 15 N N4 . C A 1 1 ? -11.469 -14.578 11.560 1.00 24.71 ? 1 C A N4 1
1270
+ ATOM 16 C C5 . C A 1 1 ? -11.071 -16.927 11.323 1.00 25.71 ? 1 C A C5 1
1271
+ ATOM 17 C C6 . C A 1 1 ? -11.624 -18.142 11.188 1.00 26.88 ? 1 C A C6 1
1272
+ ATOM 18 P P . C A 1 2 ? -13.313 -20.781 6.455 1.00 18.25 ? 2 C A P 1
1273
+ ATOM 19 O OP1 . C A 1 2 ? -13.541 -21.826 5.500 1.00 18.21 ? 2 C A OP1 1
1274
+ ATOM 20 O OP2 . C A 1 2 ? -12.134 -19.866 6.258 1.00 17.20 ? 2 C A OP2 1
1275
+ ATOM 21 O "O5'" . C A 1 2 ? -14.573 -19.799 6.410 1.00 13.89 ? 2 C A "O5'" 1
1276
+ ATOM 22 C "C5'" . C A 1 2 ? -15.923 -20.316 6.346 1.00 14.92 ? 2 C A "C5'" 1
1277
+ ATOM 23 C "C4'" . C A 1 2 ? -16.840 -19.136 6.341 1.00 13.21 ? 2 C A "C4'" 1
1278
+ ATOM 24 O "O4'" . C A 1 2 ? -16.690 -18.364 7.549 1.00 12.99 ? 2 C A "O4'" 1
1279
+ ATOM 25 C "C3'" . C A 1 2 ? -16.640 -18.129 5.206 1.00 12.93 ? 2 C A "C3'" 1
1280
+ ATOM 26 O "O3'" . C A 1 2 ? -17.193 -18.696 4.032 1.00 13.35 ? 2 C A "O3'" 1
1281
+ ATOM 27 C "C2'" . C A 1 2 ? -17.359 -16.912 5.777 1.00 12.95 ? 2 C A "C2'" 1
1282
+ ATOM 28 O "O2'" . C A 1 2 ? -18.759 -17.091 5.704 1.00 14.41 ? 2 C A "O2'" 1
1283
+ ATOM 29 C "C1'" . C A 1 2 ? -16.943 -16.992 7.252 1.00 12.84 ? 2 C A "C1'" 1
1284
+ ATOM 30 N N1 . C A 1 2 ? -15.709 -16.219 7.527 1.00 12.82 ? 2 C A N1 1
1285
+ ATOM 31 C C2 . C A 1 2 ? -15.842 -14.834 7.613 1.00 12.28 ? 2 C A C2 1
1286
+ ATOM 32 O O2 . C A 1 2 ? -16.961 -14.343 7.434 1.00 12.25 ? 2 C A O2 1
1287
+ ATOM 33 N N3 . C A 1 2 ? -14.752 -14.074 7.906 1.00 12.49 ? 2 C A N3 1
1288
+ ATOM 34 C C4 . C A 1 2 ? -13.560 -14.655 8.052 1.00 14.15 ? 2 C A C4 1
1289
+ ATOM 35 N N4 . C A 1 2 ? -12.499 -13.870 8.308 1.00 14.28 ? 2 C A N4 1
1290
+ ATOM 36 C C5 . C A 1 2 ? -13.381 -16.060 7.873 1.00 13.65 ? 2 C A C5 1
1291
+ ATOM 37 C C6 . C A 1 2 ? -14.476 -16.796 7.593 1.00 13.71 ? 2 C A C6 1
1292
+ ATOM 38 P P . G A 1 3 ? -16.553 -18.298 2.650 1.00 13.32 ? 3 G A P 1
1293
+ ATOM 39 O OP1 . G A 1 3 ? -17.225 -19.218 1.670 1.00 14.12 ? 3 G A OP1 1
1294
+ ATOM 40 O OP2 . G A 1 3 ? -15.108 -18.261 2.760 1.00 13.36 ? 3 G A OP2 1
1295
+ ATOM 41 O "O5'" . G A 1 3 ? -17.033 -16.794 2.351 1.00 11.90 ? 3 G A "O5'" 1
1296
+ ATOM 42 C "C5'" . G A 1 3 ? -18.442 -16.545 2.039 1.00 12.53 ? 3 G A "C5'" 1
1297
+ ATOM 43 C "C4'" . G A 1 3 ? -18.631 -15.029 1.977 1.00 10.58 ? 3 G A "C4'" 1
1298
+ ATOM 44 O "O4'" . G A 1 3 ? -18.391 -14.406 3.256 1.00 10.41 ? 3 G A "O4'" 1
1299
+ ATOM 45 C "C3'" . G A 1 3 ? -17.676 -14.285 1.057 1.00 10.46 ? 3 G A "C3'" 1
1300
+ ATOM 46 O "O3'" . G A 1 3 ? -18.052 -14.448 -0.312 1.00 11.54 ? 3 G A "O3'" 1
1301
+ ATOM 47 C "C2'" . G A 1 3 ? -17.850 -12.859 1.559 1.00 11.20 ? 3 G A "C2'" 1
1302
+ ATOM 48 O "O2'" . G A 1 3 ? -19.132 -12.401 1.192 1.00 11.95 ? 3 G A "O2'" 1
1303
+ ATOM 49 C "C1'" . G A 1 3 ? -17.859 -13.109 3.061 1.00 10.51 ? 3 G A "C1'" 1
1304
+ ATOM 50 N N9 . G A 1 3 ? -16.508 -13.081 3.608 1.00 9.49 ? 3 G A N9 1
1305
+ ATOM 51 C C8 . G A 1 3 ? -15.697 -14.138 3.950 1.00 10.51 ? 3 G A C8 1
1306
+ ATOM 52 N N7 . G A 1 3 ? -14.552 -13.762 4.448 1.00 10.28 ? 3 G A N7 1
1307
+ ATOM 53 C C5 . G A 1 3 ? -14.622 -12.370 4.432 1.00 9.36 ? 3 G A C5 1
1308
+ ATOM 54 C C6 . G A 1 3 ? -13.648 -11.397 4.786 1.00 9.72 ? 3 G A C6 1
1309
+ ATOM 55 O O6 . G A 1 3 ? -12.556 -11.575 5.311 1.00 10.12 ? 3 G A O6 1
1310
+ ATOM 56 N N1 . G A 1 3 ? -14.086 -10.107 4.513 1.00 8.90 ? 3 G A N1 1
1311
+ ATOM 57 C C2 . G A 1 3 ? -15.317 -9.792 4.005 1.00 9.28 ? 3 G A C2 1
1312
+ ATOM 58 N N2 . G A 1 3 ? -15.569 -8.492 3.831 1.00 9.75 ? 3 G A N2 1
1313
+ ATOM 59 N N3 . G A 1 3 ? -16.216 -10.685 3.646 1.00 9.92 ? 3 G A N3 1
1314
+ ATOM 60 C C4 . G A 1 3 ? -15.794 -11.946 3.863 1.00 9.54 ? 3 G A C4 1
1315
+ ATOM 61 P P . G A 1 4 ? -16.897 -14.350 -1.440 1.00 13.09 ? 4 G A P 1
1316
+ ATOM 62 O OP1 . G A 1 4 ? -17.582 -14.705 -2.701 1.00 13.35 ? 4 G A OP1 1
1317
+ ATOM 63 O OP2 . G A 1 4 ? -15.709 -15.053 -1.000 1.00 13.71 ? 4 G A OP2 1
1318
+ ATOM 64 O "O5'" . G A 1 4 ? -16.445 -12.813 -1.446 1.00 12.00 ? 4 G A "O5'" 1
1319
+ ATOM 65 C "C5'" . G A 1 4 ? -17.448 -11.840 -1.779 1.00 10.87 ? 4 G A "C5'" 1
1320
+ ATOM 66 C "C4'" . G A 1 4 ? -16.889 -10.475 -1.490 1.00 11.25 ? 4 G A "C4'" 1
1321
+ ATOM 67 O "O4'" . G A 1 4 ? -16.562 -10.401 -0.074 1.00 11.08 ? 4 G A "O4'" 1
1322
+ ATOM 68 C "C3'" . G A 1 4 ? -15.581 -10.091 -2.175 1.00 11.47 ? 4 G A "C3'" 1
1323
+ ATOM 69 O "O3'" . G A 1 4 ? -15.892 -9.582 -3.457 1.00 11.09 ? 4 G A "O3'" 1
1324
+ ATOM 70 C "C2'" . G A 1 4 ? -15.073 -9.010 -1.242 1.00 10.84 ? 4 G A "C2'" 1
1325
+ ATOM 71 O "O2'" . G A 1 4 ? -15.757 -7.771 -1.363 1.00 11.20 ? 4 G A "O2'" 1
1326
+ ATOM 72 C "C1'" . G A 1 4 ? -15.406 -9.596 0.127 1.00 10.69 ? 4 G A "C1'" 1
1327
+ ATOM 73 N N9 . G A 1 4 ? -14.333 -10.425 0.662 1.00 10.21 ? 4 G A N9 1
1328
+ ATOM 74 C C8 . G A 1 4 ? -14.255 -11.796 0.731 1.00 10.79 ? 4 G A C8 1
1329
+ ATOM 75 N N7 . G A 1 4 ? -13.156 -12.213 1.299 1.00 10.39 ? 4 G A N7 1
1330
+ ATOM 76 C C5 . G A 1 4 ? -12.484 -11.050 1.656 1.00 10.33 ? 4 G A C5 1
1331
+ ATOM 77 C C6 . G A 1 4 ? -11.225 -10.857 2.310 1.00 9.88 ? 4 G A C6 1
1332
+ ATOM 78 O O6 . G A 1 4 ? -10.472 -11.687 2.823 1.00 10.66 ? 4 G A O6 1
1333
+ ATOM 79 N N1 . G A 1 4 ? -10.904 -9.511 2.417 1.00 9.88 ? 4 G A N1 1
1334
+ ATOM 80 C C2 . G A 1 4 ? -11.660 -8.482 1.938 1.00 10.10 ? 4 G A C2 1
1335
+ ATOM 81 N N2 . G A 1 4 ? -11.163 -7.236 2.108 1.00 10.70 ? 4 G A N2 1
1336
+ ATOM 82 N N3 . G A 1 4 ? -12.854 -8.636 1.387 1.00 10.00 ? 4 G A N3 1
1337
+ ATOM 83 C C4 . G A 1 4 ? -13.185 -9.941 1.248 1.00 10.44 ? 4 G A C4 1
1338
+ ATOM 84 P P . C A 1 5 ? -14.846 -9.731 -4.649 1.00 12.29 ? 5 C A P 1
1339
+ ATOM 85 O OP1 . C A 1 5 ? -15.619 -9.326 -5.828 1.00 12.75 ? 5 C A OP1 1
1340
+ ATOM 86 O OP2 . C A 1 5 ? -14.162 -11.015 -4.556 1.00 11.57 ? 5 C A OP2 1
1341
+ ATOM 87 O "O5'" . C A 1 5 ? -13.737 -8.626 -4.302 1.00 11.33 ? 5 C A "O5'" 1
1342
+ ATOM 88 C "C5'" . C A 1 5 ? -14.010 -7.241 -4.511 1.00 12.05 ? 5 C A "C5'" 1
1343
+ ATOM 89 C "C4'" . C A 1 5 ? -12.851 -6.443 -3.918 1.00 12.06 ? 5 C A "C4'" 1
1344
+ ATOM 90 O "O4'" . C A 1 5 ? -12.711 -6.702 -2.494 1.00 11.42 ? 5 C A "O4'" 1
1345
+ ATOM 91 C "C3'" . C A 1 5 ? -11.477 -6.775 -4.453 1.00 11.50 ? 5 C A "C3'" 1
1346
+ ATOM 92 O "O3'" . C A 1 5 ? -11.241 -6.251 -5.763 1.00 12.76 ? 5 C A "O3'" 1
1347
+ ATOM 93 C "C2'" . C A 1 5 ? -10.606 -6.146 -3.392 1.00 11.82 ? 5 C A "C2'" 1
1348
+ ATOM 94 O "O2'" . C A 1 5 ? -10.601 -4.721 -3.511 1.00 11.99 ? 5 C A "O2'" 1
1349
+ ATOM 95 C "C1'" . C A 1 5 ? -11.345 -6.593 -2.130 1.00 10.64 ? 5 C A "C1'" 1
1350
+ ATOM 96 N N1 . C A 1 5 ? -10.885 -7.895 -1.672 1.00 11.22 ? 5 C A N1 1
1351
+ ATOM 97 C C2 . C A 1 5 ? -9.694 -7.948 -0.978 1.00 11.37 ? 5 C A C2 1
1352
+ ATOM 98 O O2 . C A 1 5 ? -9.115 -6.868 -0.713 1.00 11.81 ? 5 C A O2 1
1353
+ ATOM 99 N N3 . C A 1 5 ? -9.272 -9.135 -0.472 1.00 10.96 ? 5 C A N3 1
1354
+ ATOM 100 C C4 . C A 1 5 ? -9.917 -10.262 -0.800 1.00 10.31 ? 5 C A C4 1
1355
+ ATOM 101 N N4 . C A 1 5 ? -9.469 -11.409 -0.294 1.00 11.63 ? 5 C A N4 1
1356
+ ATOM 102 C C5 . C A 1 5 ? -11.106 -10.242 -1.587 1.00 9.72 ? 5 C A C5 1
1357
+ ATOM 103 C C6 . C A 1 5 ? -11.557 -9.046 -1.983 1.00 10.76 ? 5 C A C6 1
1358
+ ATOM 104 P P . G A 1 6 ? -10.166 -7.007 -6.698 1.00 14.58 ? 6 G A P 1
1359
+ ATOM 105 O OP1 . G A 1 6 ? -10.285 -6.293 -7.999 1.00 17.79 ? 6 G A OP1 1
1360
+ ATOM 106 O OP2 . G A 1 6 ? -10.309 -8.516 -6.684 1.00 15.39 ? 6 G A OP2 1
1361
+ ATOM 107 O "O5'" . G A 1 6 ? -8.768 -6.651 -6.085 1.00 13.63 ? 6 G A "O5'" 1
1362
+ ATOM 108 C "C5'" . G A 1 6 ? -8.318 -5.302 -6.045 1.00 13.39 ? 6 G A "C5'" 1
1363
+ ATOM 109 C "C4'" . G A 1 6 ? -7.059 -5.190 -5.214 1.00 14.63 ? 6 G A "C4'" 1
1364
+ ATOM 110 O "O4'" . G A 1 6 ? -7.315 -5.698 -3.885 1.00 15.11 ? 6 G A "O4'" 1
1365
+ ATOM 111 C "C3'" . G A 1 6 ? -5.878 -6.031 -5.668 1.00 14.43 ? 6 G A "C3'" 1
1366
+ ATOM 112 O "O3'" . G A 1 6 ? -5.166 -5.392 -6.731 1.00 15.15 ? 6 G A "O3'" 1
1367
+ ATOM 113 C "C2'" . G A 1 6 ? -5.040 -6.045 -4.413 1.00 13.97 ? 6 G A "C2'" 1
1368
+ ATOM 114 O "O2'" . G A 1 6 ? -4.465 -4.788 -4.147 1.00 16.89 ? 6 G A "O2'" 1
1369
+ ATOM 115 C "C1'" . G A 1 6 ? -6.120 -6.273 -3.364 1.00 13.13 ? 6 G A "C1'" 1
1370
+ ATOM 116 N N9 . G A 1 6 ? -6.362 -7.699 -3.140 1.00 12.17 ? 6 G A N9 1
1371
+ ATOM 117 C C8 . G A 1 6 ? -7.440 -8.439 -3.560 1.00 12.86 ? 6 G A C8 1
1372
+ ATOM 118 N N7 . G A 1 6 ? -7.391 -9.686 -3.171 1.00 11.72 ? 6 G A N7 1
1373
+ ATOM 119 C C5 . G A 1 6 ? -6.248 -9.751 -2.396 1.00 10.55 ? 6 G A C5 1
1374
+ ATOM 120 C C6 . G A 1 6 ? -5.721 -10.811 -1.664 1.00 10.63 ? 6 G A C6 1
1375
+ ATOM 121 O O6 . G A 1 6 ? -6.160 -11.961 -1.563 1.00 11.70 ? 6 G A O6 1
1376
+ ATOM 122 N N1 . G A 1 6 ? -4.535 -10.466 -1.050 1.00 11.18 ? 6 G A N1 1
1377
+ ATOM 123 C C2 . G A 1 6 ? -3.961 -9.222 -1.077 1.00 11.48 ? 6 G A C2 1
1378
+ ATOM 124 N N2 . G A 1 6 ? -2.795 -9.071 -0.412 1.00 11.09 ? 6 G A N2 1
1379
+ ATOM 125 N N3 . G A 1 6 ? -4.457 -8.213 -1.759 1.00 11.97 ? 6 G A N3 1
1380
+ ATOM 126 C C4 . G A 1 6 ? -5.594 -8.538 -2.378 1.00 11.32 ? 6 G A C4 1
1381
+ ATOM 127 P P . C A 1 7 ? -4.467 -6.247 -7.850 1.00 15.67 ? 7 C A P 1
1382
+ ATOM 128 O OP1 . C A 1 7 ? -4.041 -5.268 -8.895 1.00 17.75 ? 7 C A OP1 1
1383
+ ATOM 129 O OP2 . C A 1 7 ? -5.320 -7.406 -8.207 1.00 17.56 ? 7 C A OP2 1
1384
+ ATOM 130 O "O5'" . C A 1 7 ? -3.146 -6.834 -7.189 1.00 13.49 ? 7 C A "O5'" 1
1385
+ ATOM 131 C "C5'" . C A 1 7 ? -2.138 -5.942 -6.640 1.00 13.47 ? 7 C A "C5'" 1
1386
+ ATOM 132 C "C4'" . C A 1 7 ? -1.265 -6.655 -5.669 1.00 11.96 ? 7 C A "C4'" 1
1387
+ ATOM 133 O "O4'" . C A 1 7 ? -2.060 -7.201 -4.586 1.00 12.30 ? 7 C A "O4'" 1
1388
+ ATOM 134 C "C3'" . C A 1 7 ? -0.551 -7.904 -6.200 1.00 13.04 ? 7 C A "C3'" 1
1389
+ ATOM 135 O "O3'" . C A 1 7 ? 0.651 -7.489 -6.883 1.00 14.45 ? 7 C A "O3'" 1
1390
+ ATOM 136 C "C2'" . C A 1 7 ? -0.213 -8.589 -4.900 1.00 12.22 ? 7 C A "C2'" 1
1391
+ ATOM 137 O "O2'" . C A 1 7 ? 0.820 -7.895 -4.196 1.00 14.72 ? 7 C A "O2'" 1
1392
+ ATOM 138 C "C1'" . C A 1 7 ? -1.542 -8.448 -4.183 1.00 11.27 ? 7 C A "C1'" 1
1393
+ ATOM 139 N N1 . C A 1 7 ? -2.541 -9.525 -4.438 1.00 10.41 ? 7 C A N1 1
1394
+ ATOM 140 C C2 . C A 1 7 ? -2.369 -10.693 -3.733 1.00 9.91 ? 7 C A C2 1
1395
+ ATOM 141 O O2 . C A 1 7 ? -1.398 -10.788 -2.983 1.00 11.16 ? 7 C A O2 1
1396
+ ATOM 142 N N3 . C A 1 7 ? -3.284 -11.689 -3.857 1.00 10.57 ? 7 C A N3 1
1397
+ ATOM 143 C C4 . C A 1 7 ? -4.347 -11.529 -4.652 1.00 10.66 ? 7 C A C4 1
1398
+ ATOM 144 N N4 . C A 1 7 ? -5.206 -12.553 -4.744 1.00 10.70 ? 7 C A N4 1
1399
+ ATOM 145 C C5 . C A 1 7 ? -4.516 -10.359 -5.450 1.00 10.74 ? 7 C A C5 1
1400
+ ATOM 146 C C6 . C A 1 7 ? -3.598 -9.381 -5.299 1.00 11.02 ? 7 C A C6 1
1401
+ ATOM 147 P P . C A 1 8 ? 1.265 -8.443 -7.978 1.00 15.58 ? 8 C A P 1
1402
+ ATOM 148 O OP1 . C A 1 8 ? 2.376 -7.629 -8.591 1.00 17.49 ? 8 C A OP1 1
1403
+ ATOM 149 O OP2 . C A 1 8 ? 0.276 -8.930 -8.843 1.00 14.62 ? 8 C A OP2 1
1404
+ ATOM 150 O "O5'" . C A 1 8 ? 1.847 -9.700 -7.193 1.00 13.37 ? 8 C A "O5'" 1
1405
+ ATOM 151 C "C5'" . C A 1 8 ? 3.052 -9.528 -6.463 1.00 13.49 ? 8 C A "C5'" 1
1406
+ ATOM 152 C "C4'" . C A 1 8 ? 3.437 -10.829 -5.809 1.00 12.48 ? 8 C A "C4'" 1
1407
+ ATOM 153 O "O4'" . C A 1 8 ? 2.439 -11.164 -4.804 1.00 12.78 ? 8 C A "O4'" 1
1408
+ ATOM 154 C "C3'" . C A 1 8 ? 3.391 -12.077 -6.685 1.00 12.04 ? 8 C A "C3'" 1
1409
+ ATOM 155 O "O3'" . C A 1 8 ? 4.570 -12.137 -7.495 1.00 13.19 ? 8 C A "O3'" 1
1410
+ ATOM 156 C "C2'" . C A 1 8 ? 3.368 -13.150 -5.621 1.00 11.70 ? 8 C A "C2'" 1
1411
+ ATOM 157 O "O2'" . C A 1 8 ? 4.584 -13.276 -4.939 1.00 13.92 ? 8 C A "O2'" 1
1412
+ ATOM 158 C "C1'" . C A 1 8 ? 2.288 -12.570 -4.731 1.00 10.65 ? 8 C A "C1'" 1
1413
+ ATOM 159 N N1 . C A 1 8 ? 0.934 -12.979 -5.185 1.00 10.63 ? 8 C A N1 1
1414
+ ATOM 160 C C2 . C A 1 8 ? 0.476 -14.281 -4.867 1.00 9.78 ? 8 C A C2 1
1415
+ ATOM 161 O O2 . C A 1 8 ? 1.205 -15.031 -4.203 1.00 10.64 ? 8 C A O2 1
1416
+ ATOM 162 N N3 . C A 1 8 ? -0.788 -14.631 -5.223 1.00 9.61 ? 8 C A N3 1
1417
+ ATOM 163 C C4 . C A 1 8 ? -1.529 -13.806 -5.947 1.00 9.74 ? 8 C A C4 1
1418
+ ATOM 164 N N4 . C A 1 8 ? -2.754 -14.196 -6.288 1.00 11.32 ? 8 C A N4 1
1419
+ ATOM 165 C C5 . C A 1 8 ? -1.070 -12.502 -6.325 1.00 10.91 ? 8 C A C5 1
1420
+ ATOM 166 C C6 . C A 1 8 ? 0.163 -12.149 -5.949 1.00 10.09 ? 8 C A C6 1
1421
+ ATOM 167 P P . G A 1 9 ? 4.527 -12.866 -8.898 1.00 15.15 ? 9 G A P 1
1422
+ ATOM 168 O OP1 . G A 1 9 ? 5.869 -12.685 -9.449 1.00 18.25 ? 9 G A OP1 1
1423
+ ATOM 169 O OP2 . G A 1 9 ? 3.428 -12.493 -9.649 1.00 15.55 ? 9 G A OP2 1
1424
+ ATOM 170 O "O5'" . G A 1 9 ? 4.298 -14.413 -8.550 1.00 14.47 ? 9 G A "O5'" 1
1425
+ ATOM 171 C "C5'" . G A 1 9 ? 5.244 -15.160 -7.790 1.00 13.43 ? 9 G A "C5'" 1
1426
+ ATOM 172 C "C4'" . G A 1 9 ? 4.657 -16.501 -7.460 1.00 13.38 ? 9 G A "C4'" 1
1427
+ ATOM 173 O "O4'" . G A 1 9 ? 3.466 -16.341 -6.607 1.00 13.60 ? 9 G A "O4'" 1
1428
+ ATOM 174 C "C3'" . G A 1 9 ? 4.079 -17.314 -8.601 1.00 14.18 ? 9 G A "C3'" 1
1429
+ ATOM 175 O "O3'" . G A 1 9 ? 5.140 -17.954 -9.293 1.00 15.45 ? 9 G A "O3'" 1
1430
+ ATOM 176 C "C2'" . G A 1 9 ? 3.232 -18.328 -7.847 1.00 12.90 ? 9 G A "C2'" 1
1431
+ ATOM 177 O "O2'" . G A 1 9 ? 4.039 -19.264 -7.162 1.00 15.05 ? 9 G A "O2'" 1
1432
+ ATOM 178 C "C1'" . G A 1 9 ? 2.541 -17.395 -6.850 1.00 12.90 ? 9 G A "C1'" 1
1433
+ ATOM 179 N N9 . G A 1 9 ? 1.278 -16.856 -7.353 1.00 11.73 ? 9 G A N9 1
1434
+ ATOM 180 C C8 . G A 1 9 ? 1.000 -15.654 -7.962 1.00 11.69 ? 9 G A C8 1
1435
+ ATOM 181 N N7 . G A 1 9 ? -0.239 -15.555 -8.362 1.00 11.54 ? 9 G A N7 1
1436
+ ATOM 182 C C5 . G A 1 9 ? -0.799 -16.796 -8.064 1.00 10.39 ? 9 G A C5 1
1437
+ ATOM 183 C C6 . G A 1 9 ? -2.118 -17.300 -8.270 1.00 10.57 ? 9 G A C6 1
1438
+ ATOM 184 O O6 . G A 1 9 ? -3.074 -16.751 -8.795 1.00 11.90 ? 9 G A O6 1
1439
+ ATOM 185 N N1 . G A 1 9 ? -2.240 -18.621 -7.837 1.00 11.93 ? 9 G A N1 1
1440
+ ATOM 186 C C2 . G A 1 9 ? -1.228 -19.349 -7.267 1.00 10.75 ? 9 G A C2 1
1441
+ ATOM 187 N N2 . G A 1 9 ? -1.515 -20.624 -6.941 1.00 11.17 ? 9 G A N2 1
1442
+ ATOM 188 N N3 . G A 1 9 ? -0.018 -18.872 -7.026 1.00 11.51 ? 9 G A N3 1
1443
+ ATOM 189 C C4 . G A 1 9 ? 0.128 -17.609 -7.452 1.00 11.68 ? 9 G A C4 1
1444
+ ATOM 190 P P . G A 1 10 ? 4.993 -18.251 -10.899 1.00 17.13 ? 10 G A P 1
1445
+ ATOM 191 O OP1 . G A 1 10 ? 6.304 -18.829 -11.238 1.00 21.24 ? 10 G A OP1 1
1446
+ ATOM 192 O OP2 . G A 1 10 ? 4.454 -17.070 -11.565 1.00 18.51 ? 10 G A OP2 1
1447
+ ATOM 193 O "O5'" . G A 1 10 ? 3.864 -19.361 -11.073 1.00 17.66 ? 10 G A "O5'" 1
1448
+ ATOM 194 C "C5'" . G A 1 10 ? 4.056 -20.649 -10.407 1.00 17.32 ? 10 G A "C5'" 1
1449
+ ATOM 195 C "C4'" . G A 1 10 ? 2.774 -21.458 -10.424 1.00 18.91 ? 10 G A "C4'" 1
1450
+ ATOM 196 O "O4'" . G A 1 10 ? 1.714 -20.725 -9.760 1.00 17.40 ? 10 G A "O4'" 1
1451
+ ATOM 197 C "C3'" . G A 1 10 ? 2.149 -21.717 -11.796 1.00 22.46 ? 10 G A "C3'" 1
1452
+ ATOM 198 O "O3'" . G A 1 10 ? 2.779 -22.810 -12.453 1.00 21.66 ? 10 G A "O3'" 1
1453
+ ATOM 199 C "C2'" . G A 1 10 ? 0.710 -22.074 -11.442 1.00 18.14 ? 10 G A "C2'" 1
1454
+ ATOM 200 O "O2'" . G A 1 10 ? 0.607 -23.406 -10.976 1.00 21.31 ? 10 G A "O2'" 1
1455
+ ATOM 201 C "C1'" . G A 1 10 ? 0.457 -21.191 -10.215 1.00 18.44 ? 10 G A "C1'" 1
1456
+ ATOM 202 N N9 . G A 1 10 ? -0.392 -20.067 -10.597 1.00 17.56 ? 10 G A N9 1
1457
+ ATOM 203 C C8 . G A 1 10 ? -0.008 -18.806 -10.991 1.00 17.13 ? 10 G A C8 1
1458
+ ATOM 204 N N7 . G A 1 10 ? -1.014 -18.060 -11.353 1.00 16.68 ? 10 G A N7 1
1459
+ ATOM 205 C C5 . G A 1 10 ? -2.116 -18.900 -11.282 1.00 16.98 ? 10 G A C5 1
1460
+ ATOM 206 C C6 . G A 1 10 ? -3.483 -18.649 -11.549 1.00 16.96 ? 10 G A C6 1
1461
+ ATOM 207 O O6 . G A 1 10 ? -4.015 -17.602 -11.948 1.00 20.96 ? 10 G A O6 1
1462
+ ATOM 208 N N1 . G A 1 10 ? -4.271 -19.768 -11.302 1.00 18.03 ? 10 G A N1 1
1463
+ ATOM 209 C C2 . G A 1 10 ? -3.803 -20.981 -10.858 1.00 15.75 ? 10 G A C2 1
1464
+ ATOM 210 N N2 . G A 1 10 ? -4.736 -21.928 -10.684 1.00 18.29 ? 10 G A N2 1
1465
+ ATOM 211 N N3 . G A 1 10 ? -2.532 -21.224 -10.580 1.00 17.06 ? 10 G A N3 1
1466
+ ATOM 212 C C4 . G A 1 10 ? -1.748 -20.146 -10.816 1.00 16.69 ? 10 G A C4 1
1467
+ HETATM 213 SR SR . SR B 2 . ? -10.153 -14.369 3.279 0.65 13.45 ? 101 SR A SR 1
1468
+ HETATM 214 SR SR . SR C 2 . ? 3.413 -25.210 -11.805 0.40 16.60 ? 102 SR A SR 1
1469
+ HETATM 215 SR SR . SR D 2 . ? 1.568 -25.204 -12.467 0.40 17.27 ? 103 SR A SR 1
1470
+ HETATM 216 O O . HOH E 3 . ? -14.564 -6.391 0.687 1.00 13.65 ? 201 HOH A O 1
1471
+ HETATM 217 O O . HOH E 3 . ? -12.251 -15.259 4.652 1.00 16.97 ? 202 HOH A O 1
1472
+ HETATM 218 O O . HOH E 3 . ? -4.714 -24.947 -9.996 1.00 23.08 ? 203 HOH A O 1
1473
+ HETATM 219 O O . HOH E 3 . ? -10.881 -13.781 -1.260 1.00 18.26 ? 204 HOH A O 1
1474
+ HETATM 220 O O . HOH E 3 . ? -12.796 -17.971 4.164 1.00 15.43 ? 205 HOH A O 1
1475
+ HETATM 221 O O . HOH E 3 . ? -11.922 -14.599 1.475 1.00 15.30 ? 206 HOH A O 1
1476
+ HETATM 222 O O . HOH E 3 . ? -11.703 -3.306 -5.671 1.00 16.70 ? 207 HOH A O 1
1477
+ HETATM 223 O O . HOH E 3 . ? -19.503 -14.574 6.586 1.00 18.83 ? 208 HOH A O 1
1478
+ HETATM 224 O O . HOH E 3 . ? 3.275 -21.770 -7.089 1.00 25.18 ? 209 HOH A O 1
1479
+ HETATM 225 O O . HOH E 3 . ? 3.398 -25.400 -9.611 1.00 32.63 ? 210 HOH A O 1
1480
+ HETATM 226 O O . HOH E 3 . ? -9.638 -15.088 7.959 1.00 26.42 ? 211 HOH A O 1
1481
+ HETATM 227 O O . HOH E 3 . ? -4.033 -12.344 -8.249 1.00 19.87 ? 212 HOH A O 1
1482
+ HETATM 228 O O . HOH E 3 . ? -14.001 -16.393 0.944 1.00 18.07 ? 213 HOH A O 1
1483
+ HETATM 229 O O . HOH E 3 . ? -20.444 -19.088 5.090 1.00 22.94 ? 214 HOH A O 1
1484
+ HETATM 230 O O . HOH E 3 . ? 0.682 -11.555 -9.873 1.00 23.07 ? 215 HOH A O 1
1485
+ HETATM 231 O O . HOH E 3 . ? -9.032 -4.193 -1.174 1.00 25.05 ? 216 HOH A O 1
1486
+ HETATM 232 O O . HOH E 3 . ? -1.431 -13.295 -9.700 1.00 22.91 ? 217 HOH A O 1
1487
+ HETATM 233 O O . HOH E 3 . ? -19.847 -19.855 1.839 1.00 22.14 ? 218 HOH A O 1
1488
+ HETATM 234 O O . HOH E 3 . ? -3.981 -14.730 -10.473 1.00 31.54 ? 219 HOH A O 1
1489
+ HETATM 235 O O . HOH E 3 . ? -7.888 -13.545 -2.949 1.00 19.72 ? 220 HOH A O 1
1490
+ HETATM 236 O O . HOH E 3 . ? -9.154 -11.643 -4.185 1.00 20.10 ? 221 HOH A O 1
1491
+ HETATM 237 O O . HOH E 3 . ? 1.111 -23.014 -7.773 1.00 24.46 ? 222 HOH A O 1
1492
+ HETATM 238 O O . HOH E 3 . ? 7.105 -16.947 -13.512 1.00 28.49 ? 223 HOH A O 1
1493
+ HETATM 239 O O . HOH E 3 . ? -1.709 -5.224 -10.225 1.00 24.14 ? 224 HOH A O 1
1494
+ HETATM 240 O O . HOH E 3 . ? -3.665 -2.542 -5.620 1.00 26.23 ? 225 HOH A O 1
1495
+ HETATM 241 O O . HOH E 3 . ? -2.483 -13.318 -12.017 1.00 13.48 ? 226 HOH A O 1
1496
+ HETATM 242 O O . HOH E 3 . ? -10.356 -13.136 5.536 1.00 16.78 ? 227 HOH A O 1
1497
+ HETATM 243 O O . HOH E 3 . ? -3.138 -15.365 -12.886 1.00 35.20 ? 228 HOH A O 1
1498
+ HETATM 244 O O . HOH E 3 . ? 4.994 -6.894 -8.605 1.00 24.91 ? 229 HOH A O 1
1499
+ HETATM 245 O O . HOH E 3 . ? 2.749 -5.569 -9.938 1.00 27.83 ? 230 HOH A O 1
1500
+ HETATM 246 O O . HOH E 3 . ? -0.798 -6.906 -0.138 1.00 24.65 ? 231 HOH A O 1
1501
+ HETATM 247 O O . HOH E 3 . ? -0.480 -15.240 -11.853 1.00 21.80 ? 232 HOH A O 1
1502
+ HETATM 248 O O . HOH E 3 . ? -7.431 -12.198 -6.569 1.00 20.00 ? 233 HOH A O 1
1503
+ HETATM 249 O O . HOH E 3 . ? 1.669 -10.090 -2.158 1.00 29.85 ? 234 HOH A O 1
1504
+ HETATM 250 O O . HOH E 3 . ? -16.611 -22.028 2.452 1.00 21.94 ? 235 HOH A O 1
1505
+ HETATM 251 O O . HOH E 3 . ? -15.407 -13.041 -5.846 1.00 19.22 ? 236 HOH A O 1
1506
+ HETATM 252 O O . HOH E 3 . ? -11.441 -10.778 -5.453 1.00 20.13 ? 237 HOH A O 1
1507
+ HETATM 253 O O . HOH E 3 . ? -3.208 -5.470 -1.790 1.00 34.77 ? 238 HOH A O 1
1508
+ HETATM 254 O O . HOH E 3 . ? -10.249 -18.541 7.527 1.00 28.51 ? 239 HOH A O 1
1509
+ HETATM 255 O O . HOH E 3 . ? -7.390 -9.208 -7.460 1.00 22.95 ? 240 HOH A O 1
1510
+ HETATM 256 O O . HOH E 3 . ? -1.230 -7.891 -10.901 1.00 30.24 ? 241 HOH A O 1
1511
+ HETATM 257 O O . HOH E 3 . ? -5.009 -2.538 -8.200 1.00 34.75 ? 242 HOH A O 1
1512
+ HETATM 258 O O . HOH E 3 . ? 7.322 -10.430 -8.368 1.00 30.65 ? 243 HOH A O 1
1513
+ HETATM 259 O O . HOH E 3 . ? -15.794 -5.351 3.113 1.00 30.35 ? 244 HOH A O 1
1514
+ HETATM 260 O O . HOH E 3 . ? 2.043 -12.936 -1.077 1.00 13.60 ? 245 HOH A O 1
1515
+ HETATM 261 O O . HOH E 3 . ? -9.004 -15.620 4.918 1.00 30.46 ? 246 HOH A O 1
1516
+ HETATM 262 O O . HOH E 3 . ? -9.228 -15.856 1.507 1.00 26.68 ? 247 HOH A O 1
1517
+ HETATM 263 O O . HOH E 3 . ? -18.730 -9.959 2.470 1.00 15.54 ? 248 HOH A O 1
1518
+ HETATM 264 O O . HOH E 3 . ? 5.373 -24.892 -13.827 1.00 25.56 ? 249 HOH A O 1
1519
+ HETATM 265 O O . HOH E 3 . ? -1.676 -23.792 -10.240 1.00 38.69 ? 250 HOH A O 1
1520
+ HETATM 266 O O . HOH E 3 . ? 7.879 -17.760 -4.916 1.00 22.17 ? 251 HOH A O 1
1521
+ HETATM 267 O O . HOH E 3 . ? -11.736 -13.298 -7.131 1.00 34.61 ? 252 HOH A O 1
1522
+ HETATM 268 O O . HOH E 3 . ? -11.619 -20.145 0.445 0.50 18.76 ? 253 HOH A O 1
1523
+ HETATM 269 O O . HOH E 3 . ? -15.722 -17.945 -1.613 1.00 34.39 ? 254 HOH A O 1
1524
+ HETATM 270 O O . HOH E 3 . ? -15.751 -19.736 -3.804 1.00 28.12 ? 255 HOH A O 1
1525
+ HETATM 271 O O . HOH E 3 . ? -13.042 -19.063 -4.935 1.00 30.99 ? 256 HOH A O 1
1526
+ HETATM 272 O O . HOH E 3 . ? 7.673 -19.406 -12.997 0.50 5.44 ? 257 HOH A O 1
1527
+ #
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