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1
+ data_1FIX
2
+ #
3
+ _entry.id 1FIX
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.389
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 1FIX pdb_00001fix 10.2210/pdb1fix/pdb
15
+ RCSB UHJ055 ? ?
16
+ WWPDB D_1000173305 ? ?
17
+ #
18
+ loop_
19
+ _pdbx_audit_revision_history.ordinal
20
+ _pdbx_audit_revision_history.data_content_type
21
+ _pdbx_audit_revision_history.major_revision
22
+ _pdbx_audit_revision_history.minor_revision
23
+ _pdbx_audit_revision_history.revision_date
24
+ 1 'Structure model' 1 0 1996-12-11
25
+ 2 'Structure model' 1 1 2008-05-22
26
+ 3 'Structure model' 1 2 2011-07-13
27
+ 4 'Structure model' 1 3 2024-02-07
28
+ 5 'Structure model' 1 4 2024-04-03
29
+ #
30
+ _pdbx_audit_revision_details.ordinal 1
31
+ _pdbx_audit_revision_details.revision_ordinal 1
32
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
33
+ _pdbx_audit_revision_details.provider repository
34
+ _pdbx_audit_revision_details.type 'Initial release'
35
+ _pdbx_audit_revision_details.description ?
36
+ _pdbx_audit_revision_details.details ?
37
+ #
38
+ loop_
39
+ _pdbx_audit_revision_group.ordinal
40
+ _pdbx_audit_revision_group.revision_ordinal
41
+ _pdbx_audit_revision_group.data_content_type
42
+ _pdbx_audit_revision_group.group
43
+ 1 2 'Structure model' 'Version format compliance'
44
+ 2 3 'Structure model' 'Version format compliance'
45
+ 3 4 'Structure model' 'Data collection'
46
+ 4 4 'Structure model' 'Database references'
47
+ 5 5 'Structure model' 'Refinement description'
48
+ #
49
+ loop_
50
+ _pdbx_audit_revision_category.ordinal
51
+ _pdbx_audit_revision_category.revision_ordinal
52
+ _pdbx_audit_revision_category.data_content_type
53
+ _pdbx_audit_revision_category.category
54
+ 1 4 'Structure model' chem_comp_atom
55
+ 2 4 'Structure model' chem_comp_bond
56
+ 3 4 'Structure model' database_2
57
+ 4 5 'Structure model' pdbx_initial_refinement_model
58
+ #
59
+ loop_
60
+ _pdbx_audit_revision_item.ordinal
61
+ _pdbx_audit_revision_item.revision_ordinal
62
+ _pdbx_audit_revision_item.data_content_type
63
+ _pdbx_audit_revision_item.item
64
+ 1 4 'Structure model' '_database_2.pdbx_DOI'
65
+ 2 4 'Structure model' '_database_2.pdbx_database_accession'
66
+ #
67
+ _pdbx_database_status.status_code REL
68
+ _pdbx_database_status.entry_id 1FIX
69
+ _pdbx_database_status.recvd_initial_deposition_date 1996-10-24
70
+ _pdbx_database_status.deposit_site NDB
71
+ _pdbx_database_status.process_site NDB
72
+ _pdbx_database_status.status_code_sf REL
73
+ _pdbx_database_status.status_code_mr ?
74
+ _pdbx_database_status.SG_entry ?
75
+ _pdbx_database_status.pdb_format_compatible Y
76
+ _pdbx_database_status.status_code_cs ?
77
+ _pdbx_database_status.status_code_nmr_data ?
78
+ _pdbx_database_status.methods_development_category ?
79
+ #
80
+ loop_
81
+ _audit_author.name
82
+ _audit_author.pdbx_ordinal
83
+ 'Horton, N.C.' 1
84
+ 'Finzel, B.C.' 2
85
+ #
86
+ _citation.id primary
87
+ _citation.title
88
+ 'The structure of an RNA/DNA hybrid: a substrate of the ribonuclease activity of HIV-1 reverse transcriptase.'
89
+ _citation.journal_abbrev J.Mol.Biol.
90
+ _citation.journal_volume 264
91
+ _citation.page_first 521
92
+ _citation.page_last 533
93
+ _citation.year 1996
94
+ _citation.journal_id_ASTM JMOBAK
95
+ _citation.country UK
96
+ _citation.journal_id_ISSN 0022-2836
97
+ _citation.journal_id_CSD 0070
98
+ _citation.book_publisher ?
99
+ _citation.pdbx_database_id_PubMed 8969302
100
+ _citation.pdbx_database_id_DOI 10.1006/jmbi.1996.0658
101
+ #
102
+ loop_
103
+ _citation_author.citation_id
104
+ _citation_author.name
105
+ _citation_author.ordinal
106
+ _citation_author.identifier_ORCID
107
+ primary 'Horton, N.C.' 1 ?
108
+ primary 'Finzel, B.C.' 2 ?
109
+ #
110
+ loop_
111
+ _entity.id
112
+ _entity.type
113
+ _entity.src_method
114
+ _entity.pdbx_description
115
+ _entity.formula_weight
116
+ _entity.pdbx_number_of_molecules
117
+ _entity.pdbx_ec
118
+ _entity.pdbx_mutation
119
+ _entity.pdbx_fragment
120
+ _entity.details
121
+ 1 polymer syn
122
+ ;RNA (5'-R(*UP*UP*CP*GP*GP*GP*CP*GP*CP*C)-3')
123
+ ;
124
+ 3168.925 1 ? ? ? ?
125
+ 2 polymer syn
126
+ ;DNA (5'-D(*GP*GP*CP*GP*CP*CP*CP*GP*AP*A)-3')
127
+ ;
128
+ 3055.006 1 ? ? ? ?
129
+ 3 water nat water 18.015 72 ? ? ? ?
130
+ #
131
+ loop_
132
+ _entity_poly.entity_id
133
+ _entity_poly.type
134
+ _entity_poly.nstd_linkage
135
+ _entity_poly.nstd_monomer
136
+ _entity_poly.pdbx_seq_one_letter_code
137
+ _entity_poly.pdbx_seq_one_letter_code_can
138
+ _entity_poly.pdbx_strand_id
139
+ _entity_poly.pdbx_target_identifier
140
+ 1 polyribonucleotide no no UUCGGGCGCC UUCGGGCGCC A ?
141
+ 2 polydeoxyribonucleotide no no '(DG)(DG)(DC)(DG)(DC)(DC)(DC)(DG)(DA)(DA)' GGCGCCCGAA B ?
142
+ #
143
+ _pdbx_entity_nonpoly.entity_id 3
144
+ _pdbx_entity_nonpoly.name water
145
+ _pdbx_entity_nonpoly.comp_id HOH
146
+ #
147
+ loop_
148
+ _entity_poly_seq.entity_id
149
+ _entity_poly_seq.num
150
+ _entity_poly_seq.mon_id
151
+ _entity_poly_seq.hetero
152
+ 1 1 U n
153
+ 1 2 U n
154
+ 1 3 C n
155
+ 1 4 G n
156
+ 1 5 G n
157
+ 1 6 G n
158
+ 1 7 C n
159
+ 1 8 G n
160
+ 1 9 C n
161
+ 1 10 C n
162
+ 2 1 DG n
163
+ 2 2 DG n
164
+ 2 3 DC n
165
+ 2 4 DG n
166
+ 2 5 DC n
167
+ 2 6 DC n
168
+ 2 7 DC n
169
+ 2 8 DG n
170
+ 2 9 DA n
171
+ 2 10 DA n
172
+ #
173
+ loop_
174
+ _chem_comp.id
175
+ _chem_comp.type
176
+ _chem_comp.mon_nstd_flag
177
+ _chem_comp.name
178
+ _chem_comp.pdbx_synonyms
179
+ _chem_comp.formula
180
+ _chem_comp.formula_weight
181
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
182
+ DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222
183
+ DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
184
+ DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
185
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
186
+ HOH non-polymer . WATER ? 'H2 O' 18.015
187
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
188
+ #
189
+ loop_
190
+ _pdbx_poly_seq_scheme.asym_id
191
+ _pdbx_poly_seq_scheme.entity_id
192
+ _pdbx_poly_seq_scheme.seq_id
193
+ _pdbx_poly_seq_scheme.mon_id
194
+ _pdbx_poly_seq_scheme.ndb_seq_num
195
+ _pdbx_poly_seq_scheme.pdb_seq_num
196
+ _pdbx_poly_seq_scheme.auth_seq_num
197
+ _pdbx_poly_seq_scheme.pdb_mon_id
198
+ _pdbx_poly_seq_scheme.auth_mon_id
199
+ _pdbx_poly_seq_scheme.pdb_strand_id
200
+ _pdbx_poly_seq_scheme.pdb_ins_code
201
+ _pdbx_poly_seq_scheme.hetero
202
+ A 1 1 U 1 1 1 U U A . n
203
+ A 1 2 U 2 2 2 U U A . n
204
+ A 1 3 C 3 3 3 C C A . n
205
+ A 1 4 G 4 4 4 G G A . n
206
+ A 1 5 G 5 5 5 G G A . n
207
+ A 1 6 G 6 6 6 G G A . n
208
+ A 1 7 C 7 7 7 C C A . n
209
+ A 1 8 G 8 8 8 G G A . n
210
+ A 1 9 C 9 9 9 C C A . n
211
+ A 1 10 C 10 10 10 C C A . n
212
+ B 2 1 DG 1 11 11 DG G B . n
213
+ B 2 2 DG 2 12 12 DG G B . n
214
+ B 2 3 DC 3 13 13 DC C B . n
215
+ B 2 4 DG 4 14 14 DG G B . n
216
+ B 2 5 DC 5 15 15 DC C B . n
217
+ B 2 6 DC 6 16 16 DC C B . n
218
+ B 2 7 DC 7 17 17 DC C B . n
219
+ B 2 8 DG 8 18 18 DG G B . n
220
+ B 2 9 DA 9 19 19 DA A B . n
221
+ B 2 10 DA 10 20 20 DA A B . n
222
+ #
223
+ loop_
224
+ _pdbx_nonpoly_scheme.asym_id
225
+ _pdbx_nonpoly_scheme.entity_id
226
+ _pdbx_nonpoly_scheme.mon_id
227
+ _pdbx_nonpoly_scheme.ndb_seq_num
228
+ _pdbx_nonpoly_scheme.pdb_seq_num
229
+ _pdbx_nonpoly_scheme.auth_seq_num
230
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231
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232
+ _pdbx_nonpoly_scheme.pdb_strand_id
233
+ _pdbx_nonpoly_scheme.pdb_ins_code
234
+ C 3 HOH 1 21 21 HOH HOH A .
235
+ C 3 HOH 2 22 22 HOH HOH A .
236
+ C 3 HOH 3 23 23 HOH HOH A .
237
+ C 3 HOH 4 24 24 HOH HOH A .
238
+ C 3 HOH 5 25 25 HOH HOH A .
239
+ C 3 HOH 6 26 26 HOH HOH A .
240
+ C 3 HOH 7 27 27 HOH HOH A .
241
+ C 3 HOH 8 28 28 HOH HOH A .
242
+ C 3 HOH 9 29 29 HOH HOH A .
243
+ C 3 HOH 10 31 31 HOH HOH A .
244
+ C 3 HOH 11 32 32 HOH HOH A .
245
+ C 3 HOH 12 33 33 HOH HOH A .
246
+ C 3 HOH 13 34 34 HOH HOH A .
247
+ C 3 HOH 14 35 35 HOH HOH A .
248
+ C 3 HOH 15 36 36 HOH HOH A .
249
+ C 3 HOH 16 37 37 HOH HOH A .
250
+ C 3 HOH 17 38 38 HOH HOH A .
251
+ C 3 HOH 18 40 40 HOH HOH A .
252
+ C 3 HOH 19 41 41 HOH HOH A .
253
+ C 3 HOH 20 54 54 HOH HOH A .
254
+ C 3 HOH 21 56 56 HOH HOH A .
255
+ C 3 HOH 22 58 58 HOH HOH A .
256
+ C 3 HOH 23 59 59 HOH HOH A .
257
+ C 3 HOH 24 60 60 HOH HOH A .
258
+ C 3 HOH 25 61 61 HOH HOH A .
259
+ C 3 HOH 26 62 62 HOH HOH A .
260
+ C 3 HOH 27 64 64 HOH HOH A .
261
+ C 3 HOH 28 68 68 HOH HOH A .
262
+ C 3 HOH 29 71 71 HOH HOH A .
263
+ C 3 HOH 30 72 72 HOH HOH A .
264
+ C 3 HOH 31 73 73 HOH HOH A .
265
+ C 3 HOH 32 75 75 HOH HOH A .
266
+ C 3 HOH 33 76 76 HOH HOH A .
267
+ C 3 HOH 34 78 78 HOH HOH A .
268
+ C 3 HOH 35 80 80 HOH HOH A .
269
+ C 3 HOH 36 82 82 HOH HOH A .
270
+ C 3 HOH 37 83 83 HOH HOH A .
271
+ C 3 HOH 38 84 84 HOH HOH A .
272
+ C 3 HOH 39 85 85 HOH HOH A .
273
+ C 3 HOH 40 86 86 HOH HOH A .
274
+ C 3 HOH 41 88 88 HOH HOH A .
275
+ C 3 HOH 42 89 89 HOH HOH A .
276
+ C 3 HOH 43 90 90 HOH HOH A .
277
+ C 3 HOH 44 91 91 HOH HOH A .
278
+ C 3 HOH 45 92 92 HOH HOH A .
279
+ D 3 HOH 1 30 30 HOH HOH B .
280
+ D 3 HOH 2 39 39 HOH HOH B .
281
+ D 3 HOH 3 42 42 HOH HOH B .
282
+ D 3 HOH 4 43 43 HOH HOH B .
283
+ D 3 HOH 5 44 44 HOH HOH B .
284
+ D 3 HOH 6 45 45 HOH HOH B .
285
+ D 3 HOH 7 46 46 HOH HOH B .
286
+ D 3 HOH 8 47 47 HOH HOH B .
287
+ D 3 HOH 9 48 48 HOH HOH B .
288
+ D 3 HOH 10 49 49 HOH HOH B .
289
+ D 3 HOH 11 50 50 HOH HOH B .
290
+ D 3 HOH 12 51 51 HOH HOH B .
291
+ D 3 HOH 13 52 52 HOH HOH B .
292
+ D 3 HOH 14 53 53 HOH HOH B .
293
+ D 3 HOH 15 55 55 HOH HOH B .
294
+ D 3 HOH 16 57 57 HOH HOH B .
295
+ D 3 HOH 17 63 63 HOH HOH B .
296
+ D 3 HOH 18 65 65 HOH HOH B .
297
+ D 3 HOH 19 66 66 HOH HOH B .
298
+ D 3 HOH 20 67 67 HOH HOH B .
299
+ D 3 HOH 21 69 69 HOH HOH B .
300
+ D 3 HOH 22 70 70 HOH HOH B .
301
+ D 3 HOH 23 74 74 HOH HOH B .
302
+ D 3 HOH 24 77 77 HOH HOH B .
303
+ D 3 HOH 25 79 79 HOH HOH B .
304
+ D 3 HOH 26 81 81 HOH HOH B .
305
+ D 3 HOH 27 87 87 HOH HOH B .
306
+ #
307
+ loop_
308
+ _software.name
309
+ _software.classification
310
+ _software.version
311
+ _software.citation_id
312
+ _software.pdbx_ordinal
313
+ XTAL 'model building' . ? 1
314
+ X-PLOR refinement . ? 2
315
+ XENGEN 'data reduction' . ? 3
316
+ XENGEN 'data scaling' . ? 4
317
+ XTAL phasing . ? 5
318
+ #
319
+ _cell.entry_id 1FIX
320
+ _cell.length_a 31.300
321
+ _cell.length_b 31.300
322
+ _cell.length_c 137.700
323
+ _cell.angle_alpha 90.00
324
+ _cell.angle_beta 90.00
325
+ _cell.angle_gamma 90.00
326
+ _cell.Z_PDB 8
327
+ _cell.pdbx_unique_axis ?
328
+ _cell.length_a_esd ?
329
+ _cell.length_b_esd ?
330
+ _cell.length_c_esd ?
331
+ _cell.angle_alpha_esd ?
332
+ _cell.angle_beta_esd ?
333
+ _cell.angle_gamma_esd ?
334
+ #
335
+ _symmetry.entry_id 1FIX
336
+ _symmetry.space_group_name_H-M 'P 43 2 2'
337
+ _symmetry.pdbx_full_space_group_name_H-M ?
338
+ _symmetry.cell_setting ?
339
+ _symmetry.Int_Tables_number 95
340
+ _symmetry.space_group_name_Hall ?
341
+ #
342
+ _exptl.entry_id 1FIX
343
+ _exptl.method 'X-RAY DIFFRACTION'
344
+ _exptl.crystals_number 1
345
+ #
346
+ _exptl_crystal.id 1
347
+ _exptl_crystal.density_meas ?
348
+ _exptl_crystal.density_Matthews 2.64
349
+ _exptl_crystal.density_percent_sol 46.5000
350
+ _exptl_crystal.description ?
351
+ _exptl_crystal.F_000 ?
352
+ _exptl_crystal.preparation ?
353
+ #
354
+ _exptl_crystal_grow.crystal_id 1
355
+ _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
356
+ _exptl_crystal_grow.temp ?
357
+ _exptl_crystal_grow.temp_details 'ROOM TEMPERATURE'
358
+ _exptl_crystal_grow.pH 4.50
359
+ _exptl_crystal_grow.pdbx_details 'pH 4.50, VAPOR DIFFUSION, HANGING DROP'
360
+ _exptl_crystal_grow.pdbx_pH_range ?
361
+ #
362
+ loop_
363
+ _exptl_crystal_grow_comp.crystal_id
364
+ _exptl_crystal_grow_comp.id
365
+ _exptl_crystal_grow_comp.sol_id
366
+ _exptl_crystal_grow_comp.name
367
+ _exptl_crystal_grow_comp.volume
368
+ _exptl_crystal_grow_comp.conc
369
+ _exptl_crystal_grow_comp.details
370
+ 1 1 1 WATER ? ? ?
371
+ 1 2 1 MPD ? ? ?
372
+ 1 3 1 CACL2 ? ? ?
373
+ 1 4 1 'NA ACETATE' ? ? ?
374
+ #
375
+ _diffrn.id 1
376
+ _diffrn.ambient_temp ?
377
+ _diffrn.ambient_temp_details 'ROOM TEMPERATURE'
378
+ _diffrn.crystal_id 1
379
+ #
380
+ _diffrn_detector.diffrn_id 1
381
+ _diffrn_detector.detector 'AREA DETECTOR'
382
+ _diffrn_detector.type SIEMENS
383
+ _diffrn_detector.pdbx_collection_date 1994-10-01
384
+ _diffrn_detector.details ?
385
+ #
386
+ _diffrn_radiation.diffrn_id 1
387
+ _diffrn_radiation.wavelength_id 1
388
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
389
+ _diffrn_radiation.monochromator ?
390
+ _diffrn_radiation.pdbx_diffrn_protocol ?
391
+ _diffrn_radiation.pdbx_scattering_type x-ray
392
+ #
393
+ _diffrn_radiation_wavelength.id 1
394
+ _diffrn_radiation_wavelength.wavelength .
395
+ _diffrn_radiation_wavelength.wt 1.0
396
+ #
397
+ _diffrn_source.diffrn_id 1
398
+ _diffrn_source.source ?
399
+ _diffrn_source.type ?
400
+ _diffrn_source.pdbx_synchrotron_site ?
401
+ _diffrn_source.pdbx_synchrotron_beamline ?
402
+ _diffrn_source.pdbx_wavelength ?
403
+ _diffrn_source.pdbx_wavelength_list ?
404
+ #
405
+ _reflns.entry_id 1FIX
406
+ _reflns.observed_criterion_sigma_I 2.000
407
+ _reflns.observed_criterion_sigma_F ?
408
+ _reflns.d_resolution_low 5.000
409
+ _reflns.d_resolution_high 2.300
410
+ _reflns.number_obs 3315
411
+ _reflns.number_all 20393
412
+ _reflns.percent_possible_obs 94.400
413
+ _reflns.pdbx_Rmerge_I_obs 0.0810000
414
+ _reflns.pdbx_Rsym_value 0.0810000
415
+ _reflns.pdbx_netI_over_sigmaI ?
416
+ _reflns.B_iso_Wilson_estimate ?
417
+ _reflns.pdbx_redundancy ?
418
+ _reflns.R_free_details ?
419
+ _reflns.pdbx_chi_squared ?
420
+ _reflns.pdbx_scaling_rejects ?
421
+ _reflns.pdbx_diffrn_id 1
422
+ _reflns.pdbx_ordinal 1
423
+ #
424
+ _refine.entry_id 1FIX
425
+ _refine.ls_number_reflns_obs 2457
426
+ _refine.ls_number_reflns_all ?
427
+ _refine.pdbx_ls_sigma_I ?
428
+ _refine.pdbx_ls_sigma_F 2.000
429
+ _refine.pdbx_data_cutoff_high_absF ?
430
+ _refine.pdbx_data_cutoff_low_absF ?
431
+ _refine.pdbx_data_cutoff_high_rms_absF ?
432
+ _refine.ls_d_res_low 5.000
433
+ _refine.ls_d_res_high 2.300
434
+ _refine.ls_percent_reflns_obs 80.000
435
+ _refine.ls_R_factor_obs 0.1450000
436
+ _refine.ls_R_factor_all ?
437
+ _refine.ls_R_factor_R_work 0.1450000
438
+ _refine.ls_R_factor_R_free ?
439
+ _refine.ls_R_factor_R_free_error ?
440
+ _refine.ls_R_factor_R_free_error_details ?
441
+ _refine.ls_percent_reflns_R_free ?
442
+ _refine.ls_number_reflns_R_free ?
443
+ _refine.ls_number_parameters ?
444
+ _refine.ls_number_restraints ?
445
+ _refine.occupancy_min ?
446
+ _refine.occupancy_max ?
447
+ _refine.B_iso_mean ?
448
+ _refine.aniso_B[1][1] ?
449
+ _refine.aniso_B[2][2] ?
450
+ _refine.aniso_B[3][3] ?
451
+ _refine.aniso_B[1][2] ?
452
+ _refine.aniso_B[1][3] ?
453
+ _refine.aniso_B[2][3] ?
454
+ _refine.solvent_model_details ?
455
+ _refine.solvent_model_param_ksol ?
456
+ _refine.solvent_model_param_bsol ?
457
+ _refine.pdbx_ls_cross_valid_method ?
458
+ _refine.details
459
+ 'NUCLEIC ACID RNA-DNA PARAMETER FILE: G. PARKINSON,ET AL. (1996) ACTA CRYST. D52, 57-64'
460
+ _refine.pdbx_starting_model 'A-FORM DUPLEX'
461
+ _refine.pdbx_method_to_determine_struct MIR
462
+ _refine.pdbx_isotropic_thermal_model ?
463
+ _refine.pdbx_stereochemistry_target_values ?
464
+ _refine.pdbx_stereochem_target_val_spec_case ?
465
+ _refine.pdbx_R_Free_selection_details ?
466
+ _refine.pdbx_overall_ESU_R ?
467
+ _refine.pdbx_overall_ESU_R_Free ?
468
+ _refine.overall_SU_ML ?
469
+ _refine.overall_SU_B ?
470
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
471
+ _refine.ls_redundancy_reflns_obs ?
472
+ _refine.pdbx_overall_phase_error ?
473
+ _refine.correlation_coeff_Fo_to_Fc ?
474
+ _refine.correlation_coeff_Fo_to_Fc_free ?
475
+ _refine.pdbx_solvent_vdw_probe_radii ?
476
+ _refine.pdbx_solvent_ion_probe_radii ?
477
+ _refine.pdbx_solvent_shrinkage_radii ?
478
+ _refine.overall_SU_R_Cruickshank_DPI ?
479
+ _refine.overall_SU_R_free ?
480
+ _refine.ls_wR_factor_R_free ?
481
+ _refine.ls_wR_factor_R_work ?
482
+ _refine.overall_FOM_free_R_set ?
483
+ _refine.overall_FOM_work_R_set ?
484
+ _refine.pdbx_diffrn_id 1
485
+ _refine.pdbx_TLS_residual_ADP_flag ?
486
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
487
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
488
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
489
+ #
490
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
491
+ _refine_hist.cycle_id LAST
492
+ _refine_hist.pdbx_number_atoms_protein 0
493
+ _refine_hist.pdbx_number_atoms_nucleic_acid 412
494
+ _refine_hist.pdbx_number_atoms_ligand 0
495
+ _refine_hist.number_atoms_solvent 72
496
+ _refine_hist.number_atoms_total 484
497
+ _refine_hist.d_res_high 2.300
498
+ _refine_hist.d_res_low 5.000
499
+ #
500
+ loop_
501
+ _refine_ls_restr.type
502
+ _refine_ls_restr.dev_ideal
503
+ _refine_ls_restr.dev_ideal_target
504
+ _refine_ls_restr.weight
505
+ _refine_ls_restr.number
506
+ _refine_ls_restr.pdbx_refine_id
507
+ _refine_ls_restr.pdbx_restraint_function
508
+ x_bond_d 0.019 ? ? ? 'X-RAY DIFFRACTION' ?
509
+ x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
510
+ x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
511
+ x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
512
+ x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
513
+ x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
514
+ x_angle_deg 2.20 ? ? ? 'X-RAY DIFFRACTION' ?
515
+ x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
516
+ x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
517
+ x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
518
+ x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
519
+ x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
520
+ x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
521
+ x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
522
+ x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
523
+ x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
524
+ x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
525
+ x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
526
+ x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
527
+ #
528
+ _refine_ls_shell.pdbx_total_number_of_bins_used 8
529
+ _refine_ls_shell.d_res_high 2.30
530
+ _refine_ls_shell.d_res_low 2.39
531
+ _refine_ls_shell.number_reflns_R_work 117
532
+ _refine_ls_shell.R_factor_R_work 0.2720000
533
+ _refine_ls_shell.percent_reflns_obs 30.00
534
+ _refine_ls_shell.R_factor_R_free ?
535
+ _refine_ls_shell.R_factor_R_free_error ?
536
+ _refine_ls_shell.percent_reflns_R_free ?
537
+ _refine_ls_shell.number_reflns_R_free ?
538
+ _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
539
+ _refine_ls_shell.redundancy_reflns_obs ?
540
+ _refine_ls_shell.number_reflns_all ?
541
+ _refine_ls_shell.number_reflns_obs ?
542
+ _refine_ls_shell.R_factor_all ?
543
+ #
544
+ _database_PDB_matrix.entry_id 1FIX
545
+ _database_PDB_matrix.origx[1][1] 1.000000
546
+ _database_PDB_matrix.origx[1][2] 0.000000
547
+ _database_PDB_matrix.origx[1][3] 0.000000
548
+ _database_PDB_matrix.origx[2][1] 0.000000
549
+ _database_PDB_matrix.origx[2][2] 1.000000
550
+ _database_PDB_matrix.origx[2][3] 0.000000
551
+ _database_PDB_matrix.origx[3][1] 0.000000
552
+ _database_PDB_matrix.origx[3][2] 0.000000
553
+ _database_PDB_matrix.origx[3][3] 1.000000
554
+ _database_PDB_matrix.origx_vector[1] 0.00000
555
+ _database_PDB_matrix.origx_vector[2] 0.00000
556
+ _database_PDB_matrix.origx_vector[3] 0.00000
557
+ #
558
+ _struct.entry_id 1FIX
559
+ _struct.title
560
+ 'THE STRUCTURE OF AN RNA/DNA HYBRID: A SUBSTRATE OF THE RIBONUCLEASE ACTIVITY OF HIV-1 REVERSE TRANSCRIPTASE'
561
+ _struct.pdbx_model_details ?
562
+ _struct.pdbx_CASP_flag ?
563
+ _struct.pdbx_model_type_details ?
564
+ #
565
+ _struct_keywords.entry_id 1FIX
566
+ _struct_keywords.pdbx_keywords 'DNA-RNA HYBRID'
567
+ _struct_keywords.text 'RIGHT HANDED DNA/RNA HYBRID, DOUBLE HELIX, HIV-1 PRIMER BINDING SITE, DNA-RNA HYBRID'
568
+ #
569
+ loop_
570
+ _struct_asym.id
571
+ _struct_asym.pdbx_blank_PDB_chainid_flag
572
+ _struct_asym.pdbx_modified
573
+ _struct_asym.entity_id
574
+ _struct_asym.details
575
+ A N N 1 ?
576
+ B N N 2 ?
577
+ C N N 3 ?
578
+ D N N 3 ?
579
+ #
580
+ loop_
581
+ _struct_ref.id
582
+ _struct_ref.entity_id
583
+ _struct_ref.db_name
584
+ _struct_ref.db_code
585
+ _struct_ref.pdbx_db_accession
586
+ _struct_ref.pdbx_align_begin
587
+ _struct_ref.pdbx_seq_one_letter_code
588
+ _struct_ref.pdbx_db_isoform
589
+ 1 1 PDB 1FIX 1FIX ? ? ?
590
+ 2 2 PDB 1FIX 1FIX ? ? ?
591
+ #
592
+ loop_
593
+ _struct_ref_seq.align_id
594
+ _struct_ref_seq.ref_id
595
+ _struct_ref_seq.pdbx_PDB_id_code
596
+ _struct_ref_seq.pdbx_strand_id
597
+ _struct_ref_seq.seq_align_beg
598
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code
599
+ _struct_ref_seq.seq_align_end
600
+ _struct_ref_seq.pdbx_seq_align_end_ins_code
601
+ _struct_ref_seq.pdbx_db_accession
602
+ _struct_ref_seq.db_align_beg
603
+ _struct_ref_seq.pdbx_db_align_beg_ins_code
604
+ _struct_ref_seq.db_align_end
605
+ _struct_ref_seq.pdbx_db_align_end_ins_code
606
+ _struct_ref_seq.pdbx_auth_seq_align_beg
607
+ _struct_ref_seq.pdbx_auth_seq_align_end
608
+ 1 1 1FIX A 1 ? 10 ? 1FIX 1 ? 10 ? 1 10
609
+ 2 2 1FIX B 1 ? 10 ? 1FIX 11 ? 20 ? 11 20
610
+ #
611
+ _pdbx_struct_assembly.id 1
612
+ _pdbx_struct_assembly.details author_defined_assembly
613
+ _pdbx_struct_assembly.method_details ?
614
+ _pdbx_struct_assembly.oligomeric_details dimeric
615
+ _pdbx_struct_assembly.oligomeric_count 2
616
+ #
617
+ _pdbx_struct_assembly_gen.assembly_id 1
618
+ _pdbx_struct_assembly_gen.oper_expression 1
619
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C,D
620
+ #
621
+ _pdbx_struct_oper_list.id 1
622
+ _pdbx_struct_oper_list.type 'identity operation'
623
+ _pdbx_struct_oper_list.name 1_555
624
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
625
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
626
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
627
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
628
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
629
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
630
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
631
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
632
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
633
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
634
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
635
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
636
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
637
+ #
638
+ _struct_biol.id 1
639
+ _struct_biol.details ?
640
+ #
641
+ loop_
642
+ _struct_conn.id
643
+ _struct_conn.conn_type_id
644
+ _struct_conn.pdbx_leaving_atom_flag
645
+ _struct_conn.pdbx_PDB_id
646
+ _struct_conn.ptnr1_label_asym_id
647
+ _struct_conn.ptnr1_label_comp_id
648
+ _struct_conn.ptnr1_label_seq_id
649
+ _struct_conn.ptnr1_label_atom_id
650
+ _struct_conn.pdbx_ptnr1_label_alt_id
651
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
652
+ _struct_conn.pdbx_ptnr1_standard_comp_id
653
+ _struct_conn.ptnr1_symmetry
654
+ _struct_conn.ptnr2_label_asym_id
655
+ _struct_conn.ptnr2_label_comp_id
656
+ _struct_conn.ptnr2_label_seq_id
657
+ _struct_conn.ptnr2_label_atom_id
658
+ _struct_conn.pdbx_ptnr2_label_alt_id
659
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
660
+ _struct_conn.ptnr1_auth_asym_id
661
+ _struct_conn.ptnr1_auth_comp_id
662
+ _struct_conn.ptnr1_auth_seq_id
663
+ _struct_conn.ptnr2_auth_asym_id
664
+ _struct_conn.ptnr2_auth_comp_id
665
+ _struct_conn.ptnr2_auth_seq_id
666
+ _struct_conn.ptnr2_symmetry
667
+ _struct_conn.pdbx_ptnr3_label_atom_id
668
+ _struct_conn.pdbx_ptnr3_label_seq_id
669
+ _struct_conn.pdbx_ptnr3_label_comp_id
670
+ _struct_conn.pdbx_ptnr3_label_asym_id
671
+ _struct_conn.pdbx_ptnr3_label_alt_id
672
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
673
+ _struct_conn.details
674
+ _struct_conn.pdbx_dist_value
675
+ _struct_conn.pdbx_value_order
676
+ _struct_conn.pdbx_role
677
+ hydrog1 hydrog ? ? A U 1 N3 ? ? ? 1_555 B DA 10 N1 ? ? A U 1 B DA 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
678
+ hydrog2 hydrog ? ? A U 1 O4 ? ? ? 1_555 B DA 10 N6 ? ? A U 1 B DA 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
679
+ hydrog3 hydrog ? ? A U 2 N3 ? ? ? 1_555 B DA 9 N1 ? ? A U 2 B DA 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
680
+ hydrog4 hydrog ? ? A U 2 O4 ? ? ? 1_555 B DA 9 N6 ? ? A U 2 B DA 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
681
+ hydrog5 hydrog ? ? A C 3 N3 ? ? ? 1_555 B DG 8 N1 ? ? A C 3 B DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
682
+ hydrog6 hydrog ? ? A C 3 N4 ? ? ? 1_555 B DG 8 O6 ? ? A C 3 B DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
683
+ hydrog7 hydrog ? ? A C 3 O2 ? ? ? 1_555 B DG 8 N2 ? ? A C 3 B DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
684
+ hydrog8 hydrog ? ? A G 4 N1 ? ? ? 1_555 B DC 7 N3 ? ? A G 4 B DC 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
685
+ hydrog9 hydrog ? ? A G 4 N2 ? ? ? 1_555 B DC 7 O2 ? ? A G 4 B DC 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
686
+ hydrog10 hydrog ? ? A G 4 O6 ? ? ? 1_555 B DC 7 N4 ? ? A G 4 B DC 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
687
+ hydrog11 hydrog ? ? A G 5 N1 ? ? ? 1_555 B DC 6 N3 ? ? A G 5 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
688
+ hydrog12 hydrog ? ? A G 5 N2 ? ? ? 1_555 B DC 6 O2 ? ? A G 5 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
689
+ hydrog13 hydrog ? ? A G 5 O6 ? ? ? 1_555 B DC 6 N4 ? ? A G 5 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
690
+ hydrog14 hydrog ? ? A G 6 N1 ? ? ? 1_555 B DC 5 N3 ? ? A G 6 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
691
+ hydrog15 hydrog ? ? A G 6 N2 ? ? ? 1_555 B DC 5 O2 ? ? A G 6 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
692
+ hydrog16 hydrog ? ? A G 6 O6 ? ? ? 1_555 B DC 5 N4 ? ? A G 6 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
693
+ hydrog17 hydrog ? ? A C 7 N3 ? ? ? 1_555 B DG 4 N1 ? ? A C 7 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
694
+ hydrog18 hydrog ? ? A C 7 N4 ? ? ? 1_555 B DG 4 O6 ? ? A C 7 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
695
+ hydrog19 hydrog ? ? A C 7 O2 ? ? ? 1_555 B DG 4 N2 ? ? A C 7 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
696
+ hydrog20 hydrog ? ? A G 8 N1 ? ? ? 1_555 B DC 3 N3 ? ? A G 8 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
697
+ hydrog21 hydrog ? ? A G 8 N2 ? ? ? 1_555 B DC 3 O2 ? ? A G 8 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
698
+ hydrog22 hydrog ? ? A G 8 O6 ? ? ? 1_555 B DC 3 N4 ? ? A G 8 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
699
+ hydrog23 hydrog ? ? A C 9 N3 ? ? ? 1_555 B DG 2 N1 ? ? A C 9 B DG 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
700
+ hydrog24 hydrog ? ? A C 9 N4 ? ? ? 1_555 B DG 2 O6 ? ? A C 9 B DG 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
701
+ hydrog25 hydrog ? ? A C 9 O2 ? ? ? 1_555 B DG 2 N2 ? ? A C 9 B DG 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
702
+ hydrog26 hydrog ? ? A C 10 N3 ? ? ? 1_555 B DG 1 N1 ? ? A C 10 B DG 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
703
+ hydrog27 hydrog ? ? A C 10 N4 ? ? ? 1_555 B DG 1 O6 ? ? A C 10 B DG 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
704
+ hydrog28 hydrog ? ? A C 10 O2 ? ? ? 1_555 B DG 1 N2 ? ? A C 10 B DG 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
705
+ #
706
+ _struct_conn_type.id hydrog
707
+ _struct_conn_type.criteria ?
708
+ _struct_conn_type.reference ?
709
+ #
710
+ _pdbx_validate_rmsd_angle.id 1
711
+ _pdbx_validate_rmsd_angle.PDB_model_num 1
712
+ _pdbx_validate_rmsd_angle.auth_atom_id_1 "O4'"
713
+ _pdbx_validate_rmsd_angle.auth_asym_id_1 B
714
+ _pdbx_validate_rmsd_angle.auth_comp_id_1 DC
715
+ _pdbx_validate_rmsd_angle.auth_seq_id_1 15
716
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
717
+ _pdbx_validate_rmsd_angle.label_alt_id_1 ?
718
+ _pdbx_validate_rmsd_angle.auth_atom_id_2 "C4'"
719
+ _pdbx_validate_rmsd_angle.auth_asym_id_2 B
720
+ _pdbx_validate_rmsd_angle.auth_comp_id_2 DC
721
+ _pdbx_validate_rmsd_angle.auth_seq_id_2 15
722
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
723
+ _pdbx_validate_rmsd_angle.label_alt_id_2 ?
724
+ _pdbx_validate_rmsd_angle.auth_atom_id_3 "C3'"
725
+ _pdbx_validate_rmsd_angle.auth_asym_id_3 B
726
+ _pdbx_validate_rmsd_angle.auth_comp_id_3 DC
727
+ _pdbx_validate_rmsd_angle.auth_seq_id_3 15
728
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
729
+ _pdbx_validate_rmsd_angle.label_alt_id_3 ?
730
+ _pdbx_validate_rmsd_angle.angle_value 101.92
731
+ _pdbx_validate_rmsd_angle.angle_target_value 104.50
732
+ _pdbx_validate_rmsd_angle.angle_deviation -2.58
733
+ _pdbx_validate_rmsd_angle.angle_standard_deviation 0.40
734
+ _pdbx_validate_rmsd_angle.linker_flag N
735
+ #
736
+ loop_
737
+ _pdbx_validate_planes.id
738
+ _pdbx_validate_planes.PDB_model_num
739
+ _pdbx_validate_planes.auth_comp_id
740
+ _pdbx_validate_planes.auth_asym_id
741
+ _pdbx_validate_planes.auth_seq_id
742
+ _pdbx_validate_planes.PDB_ins_code
743
+ _pdbx_validate_planes.label_alt_id
744
+ _pdbx_validate_planes.rmsd
745
+ _pdbx_validate_planes.type
746
+ 1 1 U A 2 ? ? 0.084 'SIDE CHAIN'
747
+ 2 1 G A 5 ? ? 0.057 'SIDE CHAIN'
748
+ #
749
+ loop_
750
+ _refine_B_iso.class
751
+ _refine_B_iso.details
752
+ _refine_B_iso.treatment
753
+ _refine_B_iso.pdbx_refine_id
754
+ 'ALL ATOMS' TR isotropic 'X-RAY DIFFRACTION'
755
+ 'ALL WATERS' TR isotropic 'X-RAY DIFFRACTION'
756
+ #
757
+ loop_
758
+ _refine_occupancy.class
759
+ _refine_occupancy.treatment
760
+ _refine_occupancy.pdbx_refine_id
761
+ 'ALL ATOMS' fix 'X-RAY DIFFRACTION'
762
+ 'ALL WATERS' fix 'X-RAY DIFFRACTION'
763
+ #
764
+ loop_
765
+ _chem_comp_atom.comp_id
766
+ _chem_comp_atom.atom_id
767
+ _chem_comp_atom.type_symbol
768
+ _chem_comp_atom.pdbx_aromatic_flag
769
+ _chem_comp_atom.pdbx_stereo_config
770
+ _chem_comp_atom.pdbx_ordinal
771
+ C OP3 O N N 1
772
+ C P P N N 2
773
+ C OP1 O N N 3
774
+ C OP2 O N N 4
775
+ C "O5'" O N N 5
776
+ C "C5'" C N N 6
777
+ C "C4'" C N R 7
778
+ C "O4'" O N N 8
779
+ C "C3'" C N S 9
780
+ C "O3'" O N N 10
781
+ C "C2'" C N R 11
782
+ C "O2'" O N N 12
783
+ C "C1'" C N R 13
784
+ C N1 N N N 14
785
+ C C2 C N N 15
786
+ C O2 O N N 16
787
+ C N3 N N N 17
788
+ C C4 C N N 18
789
+ C N4 N N N 19
790
+ C C5 C N N 20
791
+ C C6 C N N 21
792
+ C HOP3 H N N 22
793
+ C HOP2 H N N 23
794
+ C "H5'" H N N 24
795
+ C "H5''" H N N 25
796
+ C "H4'" H N N 26
797
+ C "H3'" H N N 27
798
+ C "HO3'" H N N 28
799
+ C "H2'" H N N 29
800
+ C "HO2'" H N N 30
801
+ C "H1'" H N N 31
802
+ C H41 H N N 32
803
+ C H42 H N N 33
804
+ C H5 H N N 34
805
+ C H6 H N N 35
806
+ DA OP3 O N N 36
807
+ DA P P N N 37
808
+ DA OP1 O N N 38
809
+ DA OP2 O N N 39
810
+ DA "O5'" O N N 40
811
+ DA "C5'" C N N 41
812
+ DA "C4'" C N R 42
813
+ DA "O4'" O N N 43
814
+ DA "C3'" C N S 44
815
+ DA "O3'" O N N 45
816
+ DA "C2'" C N N 46
817
+ DA "C1'" C N R 47
818
+ DA N9 N Y N 48
819
+ DA C8 C Y N 49
820
+ DA N7 N Y N 50
821
+ DA C5 C Y N 51
822
+ DA C6 C Y N 52
823
+ DA N6 N N N 53
824
+ DA N1 N Y N 54
825
+ DA C2 C Y N 55
826
+ DA N3 N Y N 56
827
+ DA C4 C Y N 57
828
+ DA HOP3 H N N 58
829
+ DA HOP2 H N N 59
830
+ DA "H5'" H N N 60
831
+ DA "H5''" H N N 61
832
+ DA "H4'" H N N 62
833
+ DA "H3'" H N N 63
834
+ DA "HO3'" H N N 64
835
+ DA "H2'" H N N 65
836
+ DA "H2''" H N N 66
837
+ DA "H1'" H N N 67
838
+ DA H8 H N N 68
839
+ DA H61 H N N 69
840
+ DA H62 H N N 70
841
+ DA H2 H N N 71
842
+ DC OP3 O N N 72
843
+ DC P P N N 73
844
+ DC OP1 O N N 74
845
+ DC OP2 O N N 75
846
+ DC "O5'" O N N 76
847
+ DC "C5'" C N N 77
848
+ DC "C4'" C N R 78
849
+ DC "O4'" O N N 79
850
+ DC "C3'" C N S 80
851
+ DC "O3'" O N N 81
852
+ DC "C2'" C N N 82
853
+ DC "C1'" C N R 83
854
+ DC N1 N N N 84
855
+ DC C2 C N N 85
856
+ DC O2 O N N 86
857
+ DC N3 N N N 87
858
+ DC C4 C N N 88
859
+ DC N4 N N N 89
860
+ DC C5 C N N 90
861
+ DC C6 C N N 91
862
+ DC HOP3 H N N 92
863
+ DC HOP2 H N N 93
864
+ DC "H5'" H N N 94
865
+ DC "H5''" H N N 95
866
+ DC "H4'" H N N 96
867
+ DC "H3'" H N N 97
868
+ DC "HO3'" H N N 98
869
+ DC "H2'" H N N 99
870
+ DC "H2''" H N N 100
871
+ DC "H1'" H N N 101
872
+ DC H41 H N N 102
873
+ DC H42 H N N 103
874
+ DC H5 H N N 104
875
+ DC H6 H N N 105
876
+ DG OP3 O N N 106
877
+ DG P P N N 107
878
+ DG OP1 O N N 108
879
+ DG OP2 O N N 109
880
+ DG "O5'" O N N 110
881
+ DG "C5'" C N N 111
882
+ DG "C4'" C N R 112
883
+ DG "O4'" O N N 113
884
+ DG "C3'" C N S 114
885
+ DG "O3'" O N N 115
886
+ DG "C2'" C N N 116
887
+ DG "C1'" C N R 117
888
+ DG N9 N Y N 118
889
+ DG C8 C Y N 119
890
+ DG N7 N Y N 120
891
+ DG C5 C Y N 121
892
+ DG C6 C N N 122
893
+ DG O6 O N N 123
894
+ DG N1 N N N 124
895
+ DG C2 C N N 125
896
+ DG N2 N N N 126
897
+ DG N3 N N N 127
898
+ DG C4 C Y N 128
899
+ DG HOP3 H N N 129
900
+ DG HOP2 H N N 130
901
+ DG "H5'" H N N 131
902
+ DG "H5''" H N N 132
903
+ DG "H4'" H N N 133
904
+ DG "H3'" H N N 134
905
+ DG "HO3'" H N N 135
906
+ DG "H2'" H N N 136
907
+ DG "H2''" H N N 137
908
+ DG "H1'" H N N 138
909
+ DG H8 H N N 139
910
+ DG H1 H N N 140
911
+ DG H21 H N N 141
912
+ DG H22 H N N 142
913
+ G OP3 O N N 143
914
+ G P P N N 144
915
+ G OP1 O N N 145
916
+ G OP2 O N N 146
917
+ G "O5'" O N N 147
918
+ G "C5'" C N N 148
919
+ G "C4'" C N R 149
920
+ G "O4'" O N N 150
921
+ G "C3'" C N S 151
922
+ G "O3'" O N N 152
923
+ G "C2'" C N R 153
924
+ G "O2'" O N N 154
925
+ G "C1'" C N R 155
926
+ G N9 N Y N 156
927
+ G C8 C Y N 157
928
+ G N7 N Y N 158
929
+ G C5 C Y N 159
930
+ G C6 C N N 160
931
+ G O6 O N N 161
932
+ G N1 N N N 162
933
+ G C2 C N N 163
934
+ G N2 N N N 164
935
+ G N3 N N N 165
936
+ G C4 C Y N 166
937
+ G HOP3 H N N 167
938
+ G HOP2 H N N 168
939
+ G "H5'" H N N 169
940
+ G "H5''" H N N 170
941
+ G "H4'" H N N 171
942
+ G "H3'" H N N 172
943
+ G "HO3'" H N N 173
944
+ G "H2'" H N N 174
945
+ G "HO2'" H N N 175
946
+ G "H1'" H N N 176
947
+ G H8 H N N 177
948
+ G H1 H N N 178
949
+ G H21 H N N 179
950
+ G H22 H N N 180
951
+ HOH O O N N 181
952
+ HOH H1 H N N 182
953
+ HOH H2 H N N 183
954
+ U OP3 O N N 184
955
+ U P P N N 185
956
+ U OP1 O N N 186
957
+ U OP2 O N N 187
958
+ U "O5'" O N N 188
959
+ U "C5'" C N N 189
960
+ U "C4'" C N R 190
961
+ U "O4'" O N N 191
962
+ U "C3'" C N S 192
963
+ U "O3'" O N N 193
964
+ U "C2'" C N R 194
965
+ U "O2'" O N N 195
966
+ U "C1'" C N R 196
967
+ U N1 N N N 197
968
+ U C2 C N N 198
969
+ U O2 O N N 199
970
+ U N3 N N N 200
971
+ U C4 C N N 201
972
+ U O4 O N N 202
973
+ U C5 C N N 203
974
+ U C6 C N N 204
975
+ U HOP3 H N N 205
976
+ U HOP2 H N N 206
977
+ U "H5'" H N N 207
978
+ U "H5''" H N N 208
979
+ U "H4'" H N N 209
980
+ U "H3'" H N N 210
981
+ U "HO3'" H N N 211
982
+ U "H2'" H N N 212
983
+ U "HO2'" H N N 213
984
+ U "H1'" H N N 214
985
+ U H3 H N N 215
986
+ U H5 H N N 216
987
+ U H6 H N N 217
988
+ #
989
+ loop_
990
+ _chem_comp_bond.comp_id
991
+ _chem_comp_bond.atom_id_1
992
+ _chem_comp_bond.atom_id_2
993
+ _chem_comp_bond.value_order
994
+ _chem_comp_bond.pdbx_aromatic_flag
995
+ _chem_comp_bond.pdbx_stereo_config
996
+ _chem_comp_bond.pdbx_ordinal
997
+ C OP3 P sing N N 1
998
+ C OP3 HOP3 sing N N 2
999
+ C P OP1 doub N N 3
1000
+ C P OP2 sing N N 4
1001
+ C P "O5'" sing N N 5
1002
+ C OP2 HOP2 sing N N 6
1003
+ C "O5'" "C5'" sing N N 7
1004
+ C "C5'" "C4'" sing N N 8
1005
+ C "C5'" "H5'" sing N N 9
1006
+ C "C5'" "H5''" sing N N 10
1007
+ C "C4'" "O4'" sing N N 11
1008
+ C "C4'" "C3'" sing N N 12
1009
+ C "C4'" "H4'" sing N N 13
1010
+ C "O4'" "C1'" sing N N 14
1011
+ C "C3'" "O3'" sing N N 15
1012
+ C "C3'" "C2'" sing N N 16
1013
+ C "C3'" "H3'" sing N N 17
1014
+ C "O3'" "HO3'" sing N N 18
1015
+ C "C2'" "O2'" sing N N 19
1016
+ C "C2'" "C1'" sing N N 20
1017
+ C "C2'" "H2'" sing N N 21
1018
+ C "O2'" "HO2'" sing N N 22
1019
+ C "C1'" N1 sing N N 23
1020
+ C "C1'" "H1'" sing N N 24
1021
+ C N1 C2 sing N N 25
1022
+ C N1 C6 sing N N 26
1023
+ C C2 O2 doub N N 27
1024
+ C C2 N3 sing N N 28
1025
+ C N3 C4 doub N N 29
1026
+ C C4 N4 sing N N 30
1027
+ C C4 C5 sing N N 31
1028
+ C N4 H41 sing N N 32
1029
+ C N4 H42 sing N N 33
1030
+ C C5 C6 doub N N 34
1031
+ C C5 H5 sing N N 35
1032
+ C C6 H6 sing N N 36
1033
+ DA OP3 P sing N N 37
1034
+ DA OP3 HOP3 sing N N 38
1035
+ DA P OP1 doub N N 39
1036
+ DA P OP2 sing N N 40
1037
+ DA P "O5'" sing N N 41
1038
+ DA OP2 HOP2 sing N N 42
1039
+ DA "O5'" "C5'" sing N N 43
1040
+ DA "C5'" "C4'" sing N N 44
1041
+ DA "C5'" "H5'" sing N N 45
1042
+ DA "C5'" "H5''" sing N N 46
1043
+ DA "C4'" "O4'" sing N N 47
1044
+ DA "C4'" "C3'" sing N N 48
1045
+ DA "C4'" "H4'" sing N N 49
1046
+ DA "O4'" "C1'" sing N N 50
1047
+ DA "C3'" "O3'" sing N N 51
1048
+ DA "C3'" "C2'" sing N N 52
1049
+ DA "C3'" "H3'" sing N N 53
1050
+ DA "O3'" "HO3'" sing N N 54
1051
+ DA "C2'" "C1'" sing N N 55
1052
+ DA "C2'" "H2'" sing N N 56
1053
+ DA "C2'" "H2''" sing N N 57
1054
+ DA "C1'" N9 sing N N 58
1055
+ DA "C1'" "H1'" sing N N 59
1056
+ DA N9 C8 sing Y N 60
1057
+ DA N9 C4 sing Y N 61
1058
+ DA C8 N7 doub Y N 62
1059
+ DA C8 H8 sing N N 63
1060
+ DA N7 C5 sing Y N 64
1061
+ DA C5 C6 sing Y N 65
1062
+ DA C5 C4 doub Y N 66
1063
+ DA C6 N6 sing N N 67
1064
+ DA C6 N1 doub Y N 68
1065
+ DA N6 H61 sing N N 69
1066
+ DA N6 H62 sing N N 70
1067
+ DA N1 C2 sing Y N 71
1068
+ DA C2 N3 doub Y N 72
1069
+ DA C2 H2 sing N N 73
1070
+ DA N3 C4 sing Y N 74
1071
+ DC OP3 P sing N N 75
1072
+ DC OP3 HOP3 sing N N 76
1073
+ DC P OP1 doub N N 77
1074
+ DC P OP2 sing N N 78
1075
+ DC P "O5'" sing N N 79
1076
+ DC OP2 HOP2 sing N N 80
1077
+ DC "O5'" "C5'" sing N N 81
1078
+ DC "C5'" "C4'" sing N N 82
1079
+ DC "C5'" "H5'" sing N N 83
1080
+ DC "C5'" "H5''" sing N N 84
1081
+ DC "C4'" "O4'" sing N N 85
1082
+ DC "C4'" "C3'" sing N N 86
1083
+ DC "C4'" "H4'" sing N N 87
1084
+ DC "O4'" "C1'" sing N N 88
1085
+ DC "C3'" "O3'" sing N N 89
1086
+ DC "C3'" "C2'" sing N N 90
1087
+ DC "C3'" "H3'" sing N N 91
1088
+ DC "O3'" "HO3'" sing N N 92
1089
+ DC "C2'" "C1'" sing N N 93
1090
+ DC "C2'" "H2'" sing N N 94
1091
+ DC "C2'" "H2''" sing N N 95
1092
+ DC "C1'" N1 sing N N 96
1093
+ DC "C1'" "H1'" sing N N 97
1094
+ DC N1 C2 sing N N 98
1095
+ DC N1 C6 sing N N 99
1096
+ DC C2 O2 doub N N 100
1097
+ DC C2 N3 sing N N 101
1098
+ DC N3 C4 doub N N 102
1099
+ DC C4 N4 sing N N 103
1100
+ DC C4 C5 sing N N 104
1101
+ DC N4 H41 sing N N 105
1102
+ DC N4 H42 sing N N 106
1103
+ DC C5 C6 doub N N 107
1104
+ DC C5 H5 sing N N 108
1105
+ DC C6 H6 sing N N 109
1106
+ DG OP3 P sing N N 110
1107
+ DG OP3 HOP3 sing N N 111
1108
+ DG P OP1 doub N N 112
1109
+ DG P OP2 sing N N 113
1110
+ DG P "O5'" sing N N 114
1111
+ DG OP2 HOP2 sing N N 115
1112
+ DG "O5'" "C5'" sing N N 116
1113
+ DG "C5'" "C4'" sing N N 117
1114
+ DG "C5'" "H5'" sing N N 118
1115
+ DG "C5'" "H5''" sing N N 119
1116
+ DG "C4'" "O4'" sing N N 120
1117
+ DG "C4'" "C3'" sing N N 121
1118
+ DG "C4'" "H4'" sing N N 122
1119
+ DG "O4'" "C1'" sing N N 123
1120
+ DG "C3'" "O3'" sing N N 124
1121
+ DG "C3'" "C2'" sing N N 125
1122
+ DG "C3'" "H3'" sing N N 126
1123
+ DG "O3'" "HO3'" sing N N 127
1124
+ DG "C2'" "C1'" sing N N 128
1125
+ DG "C2'" "H2'" sing N N 129
1126
+ DG "C2'" "H2''" sing N N 130
1127
+ DG "C1'" N9 sing N N 131
1128
+ DG "C1'" "H1'" sing N N 132
1129
+ DG N9 C8 sing Y N 133
1130
+ DG N9 C4 sing Y N 134
1131
+ DG C8 N7 doub Y N 135
1132
+ DG C8 H8 sing N N 136
1133
+ DG N7 C5 sing Y N 137
1134
+ DG C5 C6 sing N N 138
1135
+ DG C5 C4 doub Y N 139
1136
+ DG C6 O6 doub N N 140
1137
+ DG C6 N1 sing N N 141
1138
+ DG N1 C2 sing N N 142
1139
+ DG N1 H1 sing N N 143
1140
+ DG C2 N2 sing N N 144
1141
+ DG C2 N3 doub N N 145
1142
+ DG N2 H21 sing N N 146
1143
+ DG N2 H22 sing N N 147
1144
+ DG N3 C4 sing N N 148
1145
+ G OP3 P sing N N 149
1146
+ G OP3 HOP3 sing N N 150
1147
+ G P OP1 doub N N 151
1148
+ G P OP2 sing N N 152
1149
+ G P "O5'" sing N N 153
1150
+ G OP2 HOP2 sing N N 154
1151
+ G "O5'" "C5'" sing N N 155
1152
+ G "C5'" "C4'" sing N N 156
1153
+ G "C5'" "H5'" sing N N 157
1154
+ G "C5'" "H5''" sing N N 158
1155
+ G "C4'" "O4'" sing N N 159
1156
+ G "C4'" "C3'" sing N N 160
1157
+ G "C4'" "H4'" sing N N 161
1158
+ G "O4'" "C1'" sing N N 162
1159
+ G "C3'" "O3'" sing N N 163
1160
+ G "C3'" "C2'" sing N N 164
1161
+ G "C3'" "H3'" sing N N 165
1162
+ G "O3'" "HO3'" sing N N 166
1163
+ G "C2'" "O2'" sing N N 167
1164
+ G "C2'" "C1'" sing N N 168
1165
+ G "C2'" "H2'" sing N N 169
1166
+ G "O2'" "HO2'" sing N N 170
1167
+ G "C1'" N9 sing N N 171
1168
+ G "C1'" "H1'" sing N N 172
1169
+ G N9 C8 sing Y N 173
1170
+ G N9 C4 sing Y N 174
1171
+ G C8 N7 doub Y N 175
1172
+ G C8 H8 sing N N 176
1173
+ G N7 C5 sing Y N 177
1174
+ G C5 C6 sing N N 178
1175
+ G C5 C4 doub Y N 179
1176
+ G C6 O6 doub N N 180
1177
+ G C6 N1 sing N N 181
1178
+ G N1 C2 sing N N 182
1179
+ G N1 H1 sing N N 183
1180
+ G C2 N2 sing N N 184
1181
+ G C2 N3 doub N N 185
1182
+ G N2 H21 sing N N 186
1183
+ G N2 H22 sing N N 187
1184
+ G N3 C4 sing N N 188
1185
+ HOH O H1 sing N N 189
1186
+ HOH O H2 sing N N 190
1187
+ U OP3 P sing N N 191
1188
+ U OP3 HOP3 sing N N 192
1189
+ U P OP1 doub N N 193
1190
+ U P OP2 sing N N 194
1191
+ U P "O5'" sing N N 195
1192
+ U OP2 HOP2 sing N N 196
1193
+ U "O5'" "C5'" sing N N 197
1194
+ U "C5'" "C4'" sing N N 198
1195
+ U "C5'" "H5'" sing N N 199
1196
+ U "C5'" "H5''" sing N N 200
1197
+ U "C4'" "O4'" sing N N 201
1198
+ U "C4'" "C3'" sing N N 202
1199
+ U "C4'" "H4'" sing N N 203
1200
+ U "O4'" "C1'" sing N N 204
1201
+ U "C3'" "O3'" sing N N 205
1202
+ U "C3'" "C2'" sing N N 206
1203
+ U "C3'" "H3'" sing N N 207
1204
+ U "O3'" "HO3'" sing N N 208
1205
+ U "C2'" "O2'" sing N N 209
1206
+ U "C2'" "C1'" sing N N 210
1207
+ U "C2'" "H2'" sing N N 211
1208
+ U "O2'" "HO2'" sing N N 212
1209
+ U "C1'" N1 sing N N 213
1210
+ U "C1'" "H1'" sing N N 214
1211
+ U N1 C2 sing N N 215
1212
+ U N1 C6 sing N N 216
1213
+ U C2 O2 doub N N 217
1214
+ U C2 N3 sing N N 218
1215
+ U N3 C4 sing N N 219
1216
+ U N3 H3 sing N N 220
1217
+ U C4 O4 doub N N 221
1218
+ U C4 C5 sing N N 222
1219
+ U C5 C6 doub N N 223
1220
+ U C5 H5 sing N N 224
1221
+ U C6 H6 sing N N 225
1222
+ #
1223
+ loop_
1224
+ _ndb_struct_conf_na.entry_id
1225
+ _ndb_struct_conf_na.feature
1226
+ 1FIX 'double helix'
1227
+ 1FIX 'a-form double helix'
1228
+ #
1229
+ loop_
1230
+ _ndb_struct_na_base_pair.model_number
1231
+ _ndb_struct_na_base_pair.i_label_asym_id
1232
+ _ndb_struct_na_base_pair.i_label_comp_id
1233
+ _ndb_struct_na_base_pair.i_label_seq_id
1234
+ _ndb_struct_na_base_pair.i_symmetry
1235
+ _ndb_struct_na_base_pair.j_label_asym_id
1236
+ _ndb_struct_na_base_pair.j_label_comp_id
1237
+ _ndb_struct_na_base_pair.j_label_seq_id
1238
+ _ndb_struct_na_base_pair.j_symmetry
1239
+ _ndb_struct_na_base_pair.shear
1240
+ _ndb_struct_na_base_pair.stretch
1241
+ _ndb_struct_na_base_pair.stagger
1242
+ _ndb_struct_na_base_pair.buckle
1243
+ _ndb_struct_na_base_pair.propeller
1244
+ _ndb_struct_na_base_pair.opening
1245
+ _ndb_struct_na_base_pair.pair_number
1246
+ _ndb_struct_na_base_pair.pair_name
1247
+ _ndb_struct_na_base_pair.i_auth_asym_id
1248
+ _ndb_struct_na_base_pair.i_auth_seq_id
1249
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1250
+ _ndb_struct_na_base_pair.j_auth_asym_id
1251
+ _ndb_struct_na_base_pair.j_auth_seq_id
1252
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1253
+ _ndb_struct_na_base_pair.hbond_type_28
1254
+ _ndb_struct_na_base_pair.hbond_type_12
1255
+ 1 A U 1 1_555 B DA 10 1_555 0.212 -0.284 -0.128 -0.816 -18.085 -1.761 1 A_U1:DA20_B A 1 ? B 20 ? 20 1
1256
+ 1 A U 2 1_555 B DA 9 1_555 -0.163 -0.188 -0.379 5.424 -19.443 3.450 2 A_U2:DA19_B A 2 ? B 19 ? 20 1
1257
+ 1 A C 3 1_555 B DG 8 1_555 0.132 -0.257 0.319 -6.727 -16.172 -3.063 3 A_C3:DG18_B A 3 ? B 18 ? 19 1
1258
+ 1 A G 4 1_555 B DC 7 1_555 -0.539 -0.153 -0.005 -8.560 -17.579 3.867 4 A_G4:DC17_B A 4 ? B 17 ? 19 1
1259
+ 1 A G 5 1_555 B DC 6 1_555 -0.573 -0.349 -0.335 -17.608 -11.474 -3.315 5 A_G5:DC16_B A 5 ? B 16 ? 19 1
1260
+ 1 A G 6 1_555 B DC 5 1_555 -0.511 -0.325 -0.249 -9.687 -14.621 -2.135 6 A_G6:DC15_B A 6 ? B 15 ? 19 1
1261
+ 1 A C 7 1_555 B DG 4 1_555 0.168 -0.172 0.136 -3.795 -8.436 2.779 7 A_C7:DG14_B A 7 ? B 14 ? 19 1
1262
+ 1 A G 8 1_555 B DC 3 1_555 -0.396 -0.137 -0.156 -9.449 -11.290 2.093 8 A_G8:DC13_B A 8 ? B 13 ? 19 1
1263
+ 1 A C 9 1_555 B DG 2 1_555 0.144 -0.289 -0.134 0.781 -10.375 2.972 9 A_C9:DG12_B A 9 ? B 12 ? 19 1
1264
+ 1 A C 10 1_555 B DG 1 1_555 0.078 -0.318 0.025 2.086 7.245 -0.960 10 A_C10:DG11_B A 10 ? B 11 ? 19 1
1265
+ #
1266
+ loop_
1267
+ _ndb_struct_na_base_pair_step.model_number
1268
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1269
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1270
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1271
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1272
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1273
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1274
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1275
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1276
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1277
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1278
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1279
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1280
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1281
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1282
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1283
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1284
+ _ndb_struct_na_base_pair_step.shift
1285
+ _ndb_struct_na_base_pair_step.slide
1286
+ _ndb_struct_na_base_pair_step.rise
1287
+ _ndb_struct_na_base_pair_step.tilt
1288
+ _ndb_struct_na_base_pair_step.roll
1289
+ _ndb_struct_na_base_pair_step.twist
1290
+ _ndb_struct_na_base_pair_step.x_displacement
1291
+ _ndb_struct_na_base_pair_step.y_displacement
1292
+ _ndb_struct_na_base_pair_step.helical_rise
1293
+ _ndb_struct_na_base_pair_step.inclination
1294
+ _ndb_struct_na_base_pair_step.tip
1295
+ _ndb_struct_na_base_pair_step.helical_twist
1296
+ _ndb_struct_na_base_pair_step.step_number
1297
+ _ndb_struct_na_base_pair_step.step_name
1298
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1299
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1300
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1301
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1302
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1303
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1304
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1305
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1306
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1307
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1308
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1309
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1310
+ 1 A U 1 1_555 B DA 10 1_555 A U 2 1_555 B DA 9 1_555 0.308 -0.472 2.994 3.842 9.291 33.521 -2.054 0.012 2.786 15.675 -6.483
1311
+ 34.955 1 AA_U1U2:DA19DA20_BB A 1 ? B 20 ? A 2 ? B 19 ?
1312
+ 1 A U 2 1_555 B DA 9 1_555 A C 3 1_555 B DG 8 1_555 0.413 -0.770 3.737 -6.209 7.182 36.041 -2.267 -1.564 3.411 11.366 9.827
1313
+ 37.230 2 AA_U2C3:DG18DA19_BB A 2 ? B 19 ? A 3 ? B 18 ?
1314
+ 1 A C 3 1_555 B DG 8 1_555 A G 4 1_555 B DC 7 1_555 0.472 -1.853 3.149 1.751 9.702 27.244 -5.583 -0.606 2.386 19.793 -3.572
1315
+ 28.942 3 AA_C3G4:DC17DG18_BB A 3 ? B 18 ? A 4 ? B 17 ?
1316
+ 1 A G 4 1_555 B DC 7 1_555 A G 5 1_555 B DC 6 1_555 -1.187 -1.541 3.450 -0.851 11.580 33.619 -4.195 1.823 2.811 19.319 1.419
1317
+ 35.513 4 AA_G4G5:DC16DC17_BB A 4 ? B 17 ? A 5 ? B 16 ?
1318
+ 1 A G 5 1_555 B DC 6 1_555 A G 6 1_555 B DC 5 1_555 1.034 -1.824 3.255 2.672 12.445 26.336 -6.028 -1.534 2.271 25.506 -5.477
1319
+ 29.202 5 AA_G5G6:DC15DC16_BB A 5 ? B 16 ? A 6 ? B 15 ?
1320
+ 1 A G 6 1_555 B DC 5 1_555 A C 7 1_555 B DG 4 1_555 0.407 -1.221 3.144 -1.844 5.997 35.049 -2.808 -0.915 2.878 9.859 3.032
1321
+ 35.588 6 AA_G6C7:DG14DC15_BB A 6 ? B 15 ? A 7 ? B 14 ?
1322
+ 1 A C 7 1_555 B DG 4 1_555 A G 8 1_555 B DC 3 1_555 0.403 -1.691 3.392 4.154 7.888 27.966 -5.003 0.080 2.848 15.820 -8.331
1323
+ 29.325 7 AA_C7G8:DC13DG14_BB A 7 ? B 14 ? A 8 ? B 13 ?
1324
+ 1 A G 8 1_555 B DC 3 1_555 A C 9 1_555 B DG 2 1_555 0.123 -1.066 3.113 1.113 2.741 34.294 -2.203 -0.045 3.024 4.638 -1.883
1325
+ 34.417 8 AA_G8C9:DG12DC13_BB A 8 ? B 13 ? A 9 ? B 12 ?
1326
+ 1 A C 9 1_555 B DG 2 1_555 A C 10 1_555 B DG 1 1_555 -0.108 -1.679 3.476 0.603 4.837 31.931 -3.898 0.305 3.192 8.729 -1.089
1327
+ 32.291 9 AA_C9C10:DG11DG12_BB A 9 ? B 12 ? A 10 ? B 11 ?
1328
+ #
1329
+ _pdbx_initial_refinement_model.accession_code ?
1330
+ _pdbx_initial_refinement_model.id 1
1331
+ _pdbx_initial_refinement_model.entity_id_list ?
1332
+ _pdbx_initial_refinement_model.type 'in silico model'
1333
+ _pdbx_initial_refinement_model.source_name Other
1334
+ _pdbx_initial_refinement_model.details 'A-form RNA/DNA duplex'
1335
+ #
1336
+ _atom_sites.entry_id 1FIX
1337
+ _atom_sites.Cartn_transform_axes ?
1338
+ _atom_sites.fract_transf_matrix[1][1] 0.031949
1339
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
1340
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
1341
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1342
+ _atom_sites.fract_transf_matrix[2][2] 0.031949
1343
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1344
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1345
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1346
+ _atom_sites.fract_transf_matrix[3][3] 0.007262
1347
+ _atom_sites.fract_transf_vector[1] 0.00000
1348
+ _atom_sites.fract_transf_vector[2] 0.00000
1349
+ _atom_sites.fract_transf_vector[3] 0.00000
1350
+ #
1351
+ loop_
1352
+ _atom_type.symbol
1353
+ C
1354
+ N
1355
+ O
1356
+ P
1357
+ #
1358
+ loop_
1359
+ _atom_site.group_PDB
1360
+ _atom_site.id
1361
+ _atom_site.type_symbol
1362
+ _atom_site.label_atom_id
1363
+ _atom_site.label_alt_id
1364
+ _atom_site.label_comp_id
1365
+ _atom_site.label_asym_id
1366
+ _atom_site.label_entity_id
1367
+ _atom_site.label_seq_id
1368
+ _atom_site.pdbx_PDB_ins_code
1369
+ _atom_site.Cartn_x
1370
+ _atom_site.Cartn_y
1371
+ _atom_site.Cartn_z
1372
+ _atom_site.occupancy
1373
+ _atom_site.B_iso_or_equiv
1374
+ _atom_site.pdbx_formal_charge
1375
+ _atom_site.auth_seq_id
1376
+ _atom_site.auth_comp_id
1377
+ _atom_site.auth_asym_id
1378
+ _atom_site.auth_atom_id
1379
+ _atom_site.pdbx_PDB_model_num
1380
+ ATOM 1 O "O5'" . U A 1 1 ? 54.630 40.975 2.031 1.00 49.99 ? 1 U A "O5'" 1
1381
+ ATOM 2 C "C5'" . U A 1 1 ? 54.628 42.262 1.376 1.00 46.88 ? 1 U A "C5'" 1
1382
+ ATOM 3 C "C4'" . U A 1 1 ? 53.227 42.820 1.322 1.00 43.07 ? 1 U A "C4'" 1
1383
+ ATOM 4 O "O4'" . U A 1 1 ? 52.374 41.934 0.547 1.00 46.14 ? 1 U A "O4'" 1
1384
+ ATOM 5 C "C3'" . U A 1 1 ? 52.507 42.885 2.641 1.00 41.88 ? 1 U A "C3'" 1
1385
+ ATOM 6 O "O3'" . U A 1 1 ? 52.923 44.034 3.331 1.00 46.45 ? 1 U A "O3'" 1
1386
+ ATOM 7 C "C2'" . U A 1 1 ? 51.058 42.991 2.184 1.00 42.16 ? 1 U A "C2'" 1
1387
+ ATOM 8 O "O2'" . U A 1 1 ? 50.765 44.249 1.630 1.00 44.54 ? 1 U A "O2'" 1
1388
+ ATOM 9 C "C1'" . U A 1 1 ? 51.039 42.022 1.010 1.00 40.57 ? 1 U A "C1'" 1
1389
+ ATOM 10 N N1 . U A 1 1 ? 50.549 40.671 1.322 1.00 36.99 ? 1 U A N1 1
1390
+ ATOM 11 C C2 . U A 1 1 ? 49.186 40.479 1.324 1.00 37.18 ? 1 U A C2 1
1391
+ ATOM 12 O O2 . U A 1 1 ? 48.389 41.375 1.139 1.00 44.42 ? 1 U A O2 1
1392
+ ATOM 13 N N3 . U A 1 1 ? 48.775 39.200 1.554 1.00 36.55 ? 1 U A N3 1
1393
+ ATOM 14 C C4 . U A 1 1 ? 49.561 38.115 1.785 1.00 36.25 ? 1 U A C4 1
1394
+ ATOM 15 O O4 . U A 1 1 ? 49.031 37.005 1.878 1.00 37.77 ? 1 U A O4 1
1395
+ ATOM 16 C C5 . U A 1 1 ? 50.963 38.390 1.806 1.00 35.31 ? 1 U A C5 1
1396
+ ATOM 17 C C6 . U A 1 1 ? 51.399 39.636 1.580 1.00 35.70 ? 1 U A C6 1
1397
+ ATOM 18 P P . U A 1 2 ? 52.985 44.026 4.940 1.00 52.11 ? 2 U A P 1
1398
+ ATOM 19 O OP1 . U A 1 2 ? 53.745 45.232 5.343 1.00 50.30 ? 2 U A OP1 1
1399
+ ATOM 20 O OP2 . U A 1 2 ? 53.454 42.674 5.379 1.00 49.03 ? 2 U A OP2 1
1400
+ ATOM 21 O "O5'" . U A 1 2 ? 51.460 44.225 5.401 1.00 51.37 ? 2 U A "O5'" 1
1401
+ ATOM 22 C "C5'" . U A 1 2 ? 50.744 45.444 5.098 1.00 49.07 ? 2 U A "C5'" 1
1402
+ ATOM 23 C "C4'" . U A 1 2 ? 49.247 45.233 5.224 1.00 48.22 ? 2 U A "C4'" 1
1403
+ ATOM 24 O "O4'" . U A 1 2 ? 48.824 44.210 4.299 1.00 47.31 ? 2 U A "O4'" 1
1404
+ ATOM 25 C "C3'" . U A 1 2 ? 48.749 44.716 6.556 1.00 49.76 ? 2 U A "C3'" 1
1405
+ ATOM 26 O "O3'" . U A 1 2 ? 48.564 45.759 7.485 1.00 50.09 ? 2 U A "O3'" 1
1406
+ ATOM 27 C "C2'" . U A 1 2 ? 47.415 44.091 6.188 1.00 50.32 ? 2 U A "C2'" 1
1407
+ ATOM 28 O "O2'" . U A 1 2 ? 46.367 45.017 5.986 1.00 56.97 ? 2 U A "O2'" 1
1408
+ ATOM 29 C "C1'" . U A 1 2 ? 47.748 43.476 4.842 1.00 45.95 ? 2 U A "C1'" 1
1409
+ ATOM 30 N N1 . U A 1 2 ? 48.145 42.068 4.942 1.00 42.57 ? 2 U A N1 1
1410
+ ATOM 31 C C2 . U A 1 2 ? 47.150 41.126 4.796 1.00 39.86 ? 2 U A C2 1
1411
+ ATOM 32 O O2 . U A 1 2 ? 45.975 41.417 4.695 1.00 41.25 ? 2 U A O2 1
1412
+ ATOM 33 N N3 . U A 1 2 ? 47.578 39.829 4.771 1.00 37.76 ? 2 U A N3 1
1413
+ ATOM 34 C C4 . U A 1 2 ? 48.865 39.387 4.888 1.00 38.03 ? 2 U A C4 1
1414
+ ATOM 35 O O4 . U A 1 2 ? 49.105 38.209 4.638 1.00 39.08 ? 2 U A O4 1
1415
+ ATOM 36 C C5 . U A 1 2 ? 49.841 40.423 5.113 1.00 39.57 ? 2 U A C5 1
1416
+ ATOM 37 C C6 . U A 1 2 ? 49.455 41.699 5.134 1.00 41.35 ? 2 U A C6 1
1417
+ ATOM 38 P P . C A 1 3 ? 48.902 45.494 9.012 1.00 48.38 ? 3 C A P 1
1418
+ ATOM 39 O OP1 . C A 1 3 ? 48.964 46.826 9.635 1.00 56.95 ? 3 C A OP1 1
1419
+ ATOM 40 O OP2 . C A 1 3 ? 50.077 44.585 9.087 1.00 54.59 ? 3 C A OP2 1
1420
+ ATOM 41 O "O5'" . C A 1 3 ? 47.655 44.678 9.552 1.00 46.91 ? 3 C A "O5'" 1
1421
+ ATOM 42 C "C5'" . C A 1 3 ? 46.350 45.226 9.414 1.00 43.49 ? 3 C A "C5'" 1
1422
+ ATOM 43 C "C4'" . C A 1 3 ? 45.320 44.139 9.444 1.00 43.78 ? 3 C A "C4'" 1
1423
+ ATOM 44 O "O4'" . C A 1 3 ? 45.543 43.272 8.301 1.00 39.38 ? 3 C A "O4'" 1
1424
+ ATOM 45 C "C3'" . C A 1 3 ? 45.355 43.174 10.625 1.00 44.21 ? 3 C A "C3'" 1
1425
+ ATOM 46 O "O3'" . C A 1 3 ? 44.790 43.703 11.837 1.00 43.14 ? 3 C A "O3'" 1
1426
+ ATOM 47 C "C2'" . C A 1 3 ? 44.560 41.998 10.051 1.00 44.40 ? 3 C A "C2'" 1
1427
+ ATOM 48 O "O2'" . C A 1 3 ? 43.150 42.148 10.043 1.00 46.95 ? 3 C A "O2'" 1
1428
+ ATOM 49 C "C1'" . C A 1 3 ? 45.061 41.978 8.606 1.00 40.81 ? 3 C A "C1'" 1
1429
+ ATOM 50 N N1 . C A 1 3 ? 46.155 41.027 8.490 1.00 35.86 ? 3 C A N1 1
1430
+ ATOM 51 C C2 . C A 1 3 ? 45.837 39.666 8.474 1.00 38.96 ? 3 C A C2 1
1431
+ ATOM 52 O O2 . C A 1 3 ? 44.639 39.341 8.490 1.00 43.59 ? 3 C A O2 1
1432
+ ATOM 53 N N3 . C A 1 3 ? 46.833 38.747 8.429 1.00 32.09 ? 3 C A N3 1
1433
+ ATOM 54 C C4 . C A 1 3 ? 48.095 39.158 8.371 1.00 29.06 ? 3 C A C4 1
1434
+ ATOM 55 N N4 . C A 1 3 ? 49.040 38.243 8.301 1.00 25.83 ? 3 C A N4 1
1435
+ ATOM 56 C C5 . C A 1 3 ? 48.440 40.541 8.368 1.00 31.45 ? 3 C A C5 1
1436
+ ATOM 57 C C6 . C A 1 3 ? 47.447 41.434 8.424 1.00 31.13 ? 3 C A C6 1
1437
+ ATOM 58 P P . G A 1 4 ? 45.351 43.204 13.267 1.00 43.29 ? 4 G A P 1
1438
+ ATOM 59 O OP1 . G A 1 4 ? 44.770 44.113 14.265 1.00 48.47 ? 4 G A OP1 1
1439
+ ATOM 60 O OP2 . G A 1 4 ? 46.814 43.026 13.198 1.00 46.78 ? 4 G A OP2 1
1440
+ ATOM 61 O "O5'" . G A 1 4 ? 44.796 41.719 13.490 1.00 44.01 ? 4 G A "O5'" 1
1441
+ ATOM 62 C "C5'" . G A 1 4 ? 43.393 41.454 13.627 1.00 37.07 ? 4 G A "C5'" 1
1442
+ ATOM 63 C "C4'" . G A 1 4 ? 43.102 39.987 13.425 1.00 36.17 ? 4 G A "C4'" 1
1443
+ ATOM 64 O "O4'" . G A 1 4 ? 43.592 39.567 12.120 1.00 38.34 ? 4 G A "O4'" 1
1444
+ ATOM 65 C "C3'" . G A 1 4 ? 43.747 38.968 14.359 1.00 35.67 ? 4 G A "C3'" 1
1445
+ ATOM 66 O "O3'" . G A 1 4 ? 43.106 38.932 15.625 1.00 36.73 ? 4 G A "O3'" 1
1446
+ ATOM 67 C "C2'" . G A 1 4 ? 43.516 37.684 13.567 1.00 35.79 ? 4 G A "C2'" 1
1447
+ ATOM 68 O "O2'" . G A 1 4 ? 42.175 37.241 13.606 1.00 36.33 ? 4 G A "O2'" 1
1448
+ ATOM 69 C "C1'" . G A 1 4 ? 43.840 38.155 12.144 1.00 34.71 ? 4 G A "C1'" 1
1449
+ ATOM 70 N N9 . G A 1 4 ? 45.245 37.909 11.823 1.00 31.77 ? 4 G A N9 1
1450
+ ATOM 71 C C8 . G A 1 4 ? 46.245 38.836 11.707 1.00 29.26 ? 4 G A C8 1
1451
+ ATOM 72 N N7 . G A 1 4 ? 47.416 38.308 11.471 1.00 25.76 ? 4 G A N7 1
1452
+ ATOM 73 C C5 . G A 1 4 ? 47.171 36.949 11.391 1.00 30.75 ? 4 G A C5 1
1453
+ ATOM 74 C C6 . G A 1 4 ? 48.056 35.860 11.118 1.00 30.06 ? 4 G A C6 1
1454
+ ATOM 75 O O6 . G A 1 4 ? 49.234 35.899 10.828 1.00 33.30 ? 4 G A O6 1
1455
+ ATOM 76 N N1 . G A 1 4 ? 47.406 34.631 11.186 1.00 32.79 ? 4 G A N1 1
1456
+ ATOM 77 C C2 . G A 1 4 ? 46.059 34.472 11.442 1.00 30.94 ? 4 G A C2 1
1457
+ ATOM 78 N N2 . G A 1 4 ? 45.606 33.207 11.496 1.00 26.69 ? 4 G A N2 1
1458
+ ATOM 79 N N3 . G A 1 4 ? 45.218 35.483 11.641 1.00 29.05 ? 4 G A N3 1
1459
+ ATOM 80 C C4 . G A 1 4 ? 45.836 36.680 11.613 1.00 31.15 ? 4 G A C4 1
1460
+ ATOM 81 P P . G A 1 5 ? 43.758 38.111 16.850 1.00 35.72 ? 5 G A P 1
1461
+ ATOM 82 O OP1 . G A 1 5 ? 42.918 38.254 18.056 1.00 39.59 ? 5 G A OP1 1
1462
+ ATOM 83 O OP2 . G A 1 5 ? 45.206 38.446 16.936 1.00 37.88 ? 5 G A OP2 1
1463
+ ATOM 84 O "O5'" . G A 1 5 ? 43.610 36.614 16.360 1.00 39.99 ? 5 G A "O5'" 1
1464
+ ATOM 85 C "C5'" . G A 1 5 ? 42.428 35.860 16.615 1.00 33.70 ? 5 G A "C5'" 1
1465
+ ATOM 86 C "C4'" . G A 1 5 ? 42.761 34.393 16.569 1.00 36.36 ? 5 G A "C4'" 1
1466
+ ATOM 87 O "O4'" . G A 1 5 ? 43.368 34.054 15.276 1.00 33.76 ? 5 G A "O4'" 1
1467
+ ATOM 88 C "C3'" . G A 1 5 ? 43.802 33.912 17.574 1.00 32.74 ? 5 G A "C3'" 1
1468
+ ATOM 89 O "O3'" . G A 1 5 ? 43.216 33.701 18.843 1.00 31.81 ? 5 G A "O3'" 1
1469
+ ATOM 90 C "C2'" . G A 1 5 ? 44.239 32.606 16.930 1.00 33.15 ? 5 G A "C2'" 1
1470
+ ATOM 91 O "O2'" . G A 1 5 ? 43.210 31.639 17.035 1.00 29.39 ? 5 G A "O2'" 1
1471
+ ATOM 92 C "C1'" . G A 1 5 ? 44.336 33.041 15.467 1.00 29.01 ? 5 G A "C1'" 1
1472
+ ATOM 93 N N9 . G A 1 5 ? 45.638 33.614 15.155 1.00 29.90 ? 5 G A N9 1
1473
+ ATOM 94 C C8 . G A 1 5 ? 45.964 34.941 15.004 1.00 25.13 ? 5 G A C8 1
1474
+ ATOM 95 N N7 . G A 1 5 ? 47.194 35.120 14.625 1.00 23.28 ? 5 G A N7 1
1475
+ ATOM 96 C C5 . G A 1 5 ? 47.714 33.836 14.533 1.00 26.73 ? 5 G A C5 1
1476
+ ATOM 97 C C6 . G A 1 5 ? 48.972 33.393 14.105 1.00 25.35 ? 5 G A C6 1
1477
+ ATOM 98 O O6 . G A 1 5 ? 49.906 34.064 13.682 1.00 30.50 ? 5 G A O6 1
1478
+ ATOM 99 N N1 . G A 1 5 ? 49.089 32.004 14.168 1.00 23.76 ? 5 G A N1 1
1479
+ ATOM 100 C C2 . G A 1 5 ? 48.090 31.146 14.566 1.00 26.95 ? 5 G A C2 1
1480
+ ATOM 101 N N2 . G A 1 5 ? 48.349 29.824 14.546 1.00 22.84 ? 5 G A N2 1
1481
+ ATOM 102 N N3 . G A 1 5 ? 46.897 31.558 14.950 1.00 30.62 ? 5 G A N3 1
1482
+ ATOM 103 C C4 . G A 1 5 ? 46.780 32.904 14.900 1.00 28.86 ? 5 G A C4 1
1483
+ ATOM 104 P P . G A 1 6 ? 44.084 33.969 20.156 1.00 35.84 ? 6 G A P 1
1484
+ ATOM 105 O OP1 . G A 1 6 ? 43.198 33.841 21.328 1.00 36.41 ? 6 G A OP1 1
1485
+ ATOM 106 O OP2 . G A 1 6 ? 44.857 35.211 19.961 1.00 32.15 ? 6 G A OP2 1
1486
+ ATOM 107 O "O5'" . G A 1 6 ? 45.092 32.729 20.186 1.00 36.27 ? 6 G A "O5'" 1
1487
+ ATOM 108 C "C5'" . G A 1 6 ? 46.403 32.871 20.723 1.00 34.64 ? 6 G A "C5'" 1
1488
+ ATOM 109 C "C4'" . G A 1 6 ? 47.281 31.741 20.261 1.00 34.13 ? 6 G A "C4'" 1
1489
+ ATOM 110 O "O4'" . G A 1 6 ? 47.475 31.816 18.821 1.00 38.17 ? 6 G A "O4'" 1
1490
+ ATOM 111 C "C3'" . G A 1 6 ? 48.705 31.801 20.778 1.00 34.31 ? 6 G A "C3'" 1
1491
+ ATOM 112 O "O3'" . G A 1 6 ? 48.753 31.277 22.073 1.00 36.94 ? 6 G A "O3'" 1
1492
+ ATOM 113 C "C2'" . G A 1 6 ? 49.426 30.898 19.793 1.00 36.22 ? 6 G A "C2'" 1
1493
+ ATOM 114 O "O2'" . G A 1 6 ? 49.106 29.534 20.003 1.00 35.32 ? 6 G A "O2'" 1
1494
+ ATOM 115 C "C1'" . G A 1 6 ? 48.783 31.349 18.484 1.00 34.74 ? 6 G A "C1'" 1
1495
+ ATOM 116 N N9 . G A 1 6 ? 49.536 32.441 17.873 1.00 31.78 ? 6 G A N9 1
1496
+ ATOM 117 C C8 . G A 1 6 ? 49.209 33.776 17.837 1.00 30.49 ? 6 G A C8 1
1497
+ ATOM 118 N N7 . G A 1 6 ? 50.097 34.501 17.215 1.00 32.72 ? 6 G A N7 1
1498
+ ATOM 119 C C5 . G A 1 6 ? 51.066 33.585 16.816 1.00 30.97 ? 6 G A C5 1
1499
+ ATOM 120 C C6 . G A 1 6 ? 52.262 33.774 16.099 1.00 30.62 ? 6 G A C6 1
1500
+ ATOM 121 O O6 . G A 1 6 ? 52.730 34.818 15.643 1.00 36.25 ? 6 G A O6 1
1501
+ ATOM 122 N N1 . G A 1 6 ? 52.942 32.580 15.918 1.00 30.88 ? 6 G A N1 1
1502
+ ATOM 123 C C2 . G A 1 6 ? 52.522 31.362 16.352 1.00 27.86 ? 6 G A C2 1
1503
+ ATOM 124 N N2 . G A 1 6 ? 53.336 30.327 16.083 1.00 30.24 ? 6 G A N2 1
1504
+ ATOM 125 N N3 . G A 1 6 ? 51.399 31.165 17.003 1.00 29.75 ? 6 G A N3 1
1505
+ ATOM 126 C C4 . G A 1 6 ? 50.729 32.314 17.209 1.00 30.21 ? 6 G A C4 1
1506
+ ATOM 127 P P . C A 1 7 ? 49.639 32.003 23.164 1.00 32.94 ? 7 C A P 1
1507
+ ATOM 128 O OP1 . C A 1 7 ? 49.236 31.420 24.433 1.00 42.11 ? 7 C A OP1 1
1508
+ ATOM 129 O OP2 . C A 1 7 ? 49.420 33.441 22.911 1.00 33.69 ? 7 C A OP2 1
1509
+ ATOM 130 O "O5'" . C A 1 7 ? 51.116 31.501 22.843 1.00 33.88 ? 7 C A "O5'" 1
1510
+ ATOM 131 C "C5'" . C A 1 7 ? 51.423 30.096 22.911 1.00 31.29 ? 7 C A "C5'" 1
1511
+ ATOM 132 C "C4'" . C A 1 7 ? 52.722 29.777 22.195 1.00 32.79 ? 7 C A "C4'" 1
1512
+ ATOM 133 O "O4'" . C A 1 7 ? 52.602 30.052 20.778 1.00 35.38 ? 7 C A "O4'" 1
1513
+ ATOM 134 C "C3'" . C A 1 7 ? 53.953 30.557 22.618 1.00 34.95 ? 7 C A "C3'" 1
1514
+ ATOM 135 O "O3'" . C A 1 7 ? 54.536 29.979 23.784 1.00 36.76 ? 7 C A "O3'" 1
1515
+ ATOM 136 C "C2'" . C A 1 7 ? 54.863 30.387 21.403 1.00 35.00 ? 7 C A "C2'" 1
1516
+ ATOM 137 O "O2'" . C A 1 7 ? 55.484 29.128 21.318 1.00 36.39 ? 7 C A "O2'" 1
1517
+ ATOM 138 C "C1'" . C A 1 7 ? 53.858 30.489 20.265 1.00 34.16 ? 7 C A "C1'" 1
1518
+ ATOM 139 N N1 . C A 1 7 ? 53.741 31.892 19.838 1.00 32.41 ? 7 C A N1 1
1519
+ ATOM 140 C C2 . C A 1 7 ? 54.735 32.419 19.016 1.00 28.63 ? 7 C A C2 1
1520
+ ATOM 141 O O2 . C A 1 7 ? 55.643 31.689 18.631 1.00 33.02 ? 7 C A O2 1
1521
+ ATOM 142 N N3 . C A 1 7 ? 54.674 33.703 18.650 1.00 26.87 ? 7 C A N3 1
1522
+ ATOM 143 C C4 . C A 1 7 ? 53.649 34.457 19.036 1.00 25.17 ? 7 C A C4 1
1523
+ ATOM 144 N N4 . C A 1 7 ? 53.610 35.712 18.594 1.00 26.04 ? 7 C A N4 1
1524
+ ATOM 145 C C5 . C A 1 7 ? 52.614 33.953 19.869 1.00 25.56 ? 7 C A C5 1
1525
+ ATOM 146 C C6 . C A 1 7 ? 52.696 32.673 20.245 1.00 27.54 ? 7 C A C6 1
1526
+ ATOM 147 P P . G A 1 8 ? 55.267 30.916 24.854 1.00 32.87 ? 8 G A P 1
1527
+ ATOM 148 O OP1 . G A 1 8 ? 55.459 30.099 26.085 1.00 33.40 ? 8 G A OP1 1
1528
+ ATOM 149 O OP2 . G A 1 8 ? 54.487 32.193 24.914 1.00 34.11 ? 8 G A OP2 1
1529
+ ATOM 150 O "O5'" . G A 1 8 ? 56.677 31.244 24.211 1.00 27.70 ? 8 G A "O5'" 1
1530
+ ATOM 151 C "C5'" . G A 1 8 ? 57.487 30.215 23.717 1.00 26.45 ? 8 G A "C5'" 1
1531
+ ATOM 152 C "C4'" . G A 1 8 ? 58.527 30.773 22.793 1.00 27.36 ? 8 G A "C4'" 1
1532
+ ATOM 153 O "O4'" . G A 1 8 ? 57.907 31.247 21.573 1.00 27.15 ? 8 G A "O4'" 1
1533
+ ATOM 154 C "C3'" . G A 1 8 ? 59.308 31.983 23.272 1.00 29.74 ? 8 G A "C3'" 1
1534
+ ATOM 155 O "O3'" . G A 1 8 ? 60.338 31.638 24.200 1.00 33.02 ? 8 G A "O3'" 1
1535
+ ATOM 156 C "C2'" . G A 1 8 ? 59.912 32.454 21.956 1.00 31.82 ? 8 G A "C2'" 1
1536
+ ATOM 157 O "O2'" . G A 1 8 ? 61.003 31.653 21.553 1.00 34.61 ? 8 G A "O2'" 1
1537
+ ATOM 158 C "C1'" . G A 1 8 ? 58.734 32.248 21.000 1.00 30.97 ? 8 G A "C1'" 1
1538
+ ATOM 159 N N9 . G A 1 8 ? 57.973 33.489 20.911 1.00 31.74 ? 8 G A N9 1
1539
+ ATOM 160 C C8 . G A 1 8 ? 56.778 33.798 21.525 1.00 28.76 ? 8 G A C8 1
1540
+ ATOM 161 N N7 . G A 1 8 ? 56.357 34.998 21.244 1.00 30.70 ? 8 G A N7 1
1541
+ ATOM 162 C C5 . G A 1 8 ? 57.329 35.506 20.390 1.00 30.20 ? 8 G A C5 1
1542
+ ATOM 163 C C6 . G A 1 8 ? 57.405 36.755 19.735 1.00 29.30 ? 8 G A C6 1
1543
+ ATOM 164 O O6 . G A 1 8 ? 56.601 37.668 19.772 1.00 34.34 ? 8 G A O6 1
1544
+ ATOM 165 N N1 . G A 1 8 ? 58.566 36.870 18.961 1.00 26.23 ? 8 G A N1 1
1545
+ ATOM 166 C C2 . G A 1 8 ? 59.532 35.885 18.835 1.00 26.06 ? 8 G A C2 1
1546
+ ATOM 167 N N2 . G A 1 8 ? 60.588 36.156 18.029 1.00 21.53 ? 8 G A N2 1
1547
+ ATOM 168 N N3 . G A 1 8 ? 59.462 34.707 19.447 1.00 26.31 ? 8 G A N3 1
1548
+ ATOM 169 C C4 . G A 1 8 ? 58.339 34.588 20.192 1.00 27.22 ? 8 G A C4 1
1549
+ ATOM 170 P P . C A 1 9 ? 60.893 32.743 25.251 1.00 31.45 ? 9 C A P 1
1550
+ ATOM 171 O OP1 . C A 1 9 ? 61.790 32.019 26.181 1.00 29.52 ? 9 C A OP1 1
1551
+ ATOM 172 O OP2 . C A 1 9 ? 59.770 33.566 25.787 1.00 30.29 ? 9 C A OP2 1
1552
+ ATOM 173 O "O5'" . C A 1 9 ? 61.825 33.683 24.375 1.00 29.84 ? 9 C A "O5'" 1
1553
+ ATOM 174 C "C5'" . C A 1 9 ? 63.127 33.241 23.977 1.00 24.23 ? 9 C A "C5'" 1
1554
+ ATOM 175 C "C4'" . C A 1 9 ? 63.693 34.212 22.988 1.00 26.84 ? 9 C A "C4'" 1
1555
+ ATOM 176 O "O4'" . C A 1 9 ? 62.674 34.470 21.989 1.00 27.87 ? 9 C A "O4'" 1
1556
+ ATOM 177 C "C3'" . C A 1 9 ? 63.937 35.602 23.550 1.00 28.30 ? 9 C A "C3'" 1
1557
+ ATOM 178 O "O3'" . C A 1 9 ? 65.185 35.647 24.157 1.00 28.09 ? 9 C A "O3'" 1
1558
+ ATOM 179 C "C2'" . C A 1 9 ? 63.944 36.443 22.289 1.00 28.53 ? 9 C A "C2'" 1
1559
+ ATOM 180 O "O2'" . C A 1 9 ? 65.125 36.234 21.552 1.00 29.74 ? 9 C A "O2'" 1
1560
+ ATOM 181 C "C1'" . C A 1 9 ? 62.769 35.821 21.547 1.00 28.14 ? 9 C A "C1'" 1
1561
+ ATOM 182 N N1 . C A 1 9 ? 61.516 36.519 21.883 1.00 26.75 ? 9 C A N1 1
1562
+ ATOM 183 C C2 . C A 1 9 ? 61.237 37.702 21.227 1.00 22.84 ? 9 C A C2 1
1563
+ ATOM 184 O O2 . C A 1 9 ? 62.057 38.136 20.405 1.00 22.39 ? 9 C A O2 1
1564
+ ATOM 185 N N3 . C A 1 9 ? 60.095 38.349 21.493 1.00 22.15 ? 9 C A N3 1
1565
+ ATOM 186 C C4 . C A 1 9 ? 59.240 37.851 22.382 1.00 20.80 ? 9 C A C4 1
1566
+ ATOM 187 N N4 . C A 1 9 ? 58.109 38.518 22.584 1.00 21.74 ? 9 C A N4 1
1567
+ ATOM 188 C C5 . C A 1 9 ? 59.505 36.653 23.089 1.00 19.59 ? 9 C A C5 1
1568
+ ATOM 189 C C6 . C A 1 9 ? 60.645 36.019 22.813 1.00 24.40 ? 9 C A C6 1
1569
+ ATOM 190 P P . C A 1 10 ? 65.425 36.606 25.391 1.00 30.66 ? 10 C A P 1
1570
+ ATOM 191 O OP1 . C A 1 10 ? 66.741 36.140 25.913 1.00 31.00 ? 10 C A OP1 1
1571
+ ATOM 192 O OP2 . C A 1 10 ? 64.244 36.627 26.281 1.00 27.23 ? 10 C A OP2 1
1572
+ ATOM 193 O "O5'" . C A 1 10 ? 65.581 38.028 24.705 1.00 31.39 ? 10 C A "O5'" 1
1573
+ ATOM 194 C "C5'" . C A 1 10 ? 66.666 38.278 23.815 1.00 25.79 ? 10 C A "C5'" 1
1574
+ ATOM 195 C "C4'" . C A 1 10 ? 66.588 39.692 23.310 1.00 28.53 ? 10 C A "C4'" 1
1575
+ ATOM 196 O "O4'" . C A 1 10 ? 65.390 39.826 22.512 1.00 26.35 ? 10 C A "O4'" 1
1576
+ ATOM 197 C "C3'" . C A 1 10 ? 66.421 40.794 24.350 1.00 29.33 ? 10 C A "C3'" 1
1577
+ ATOM 198 O "O3'" . C A 1 10 ? 67.655 41.133 24.961 1.00 30.40 ? 10 C A "O3'" 1
1578
+ ATOM 199 C "C2'" . C A 1 10 ? 65.899 41.933 23.484 1.00 29.43 ? 10 C A "C2'" 1
1579
+ ATOM 200 O "O2'" . C A 1 10 ? 66.939 42.462 22.686 1.00 29.08 ? 10 C A "O2'" 1
1580
+ ATOM 201 C "C1'" . C A 1 10 ? 64.927 41.171 22.572 1.00 31.35 ? 10 C A "C1'" 1
1581
+ ATOM 202 N N1 . C A 1 10 ? 63.544 41.132 23.073 1.00 29.98 ? 10 C A N1 1
1582
+ ATOM 203 C C2 . C A 1 10 ? 62.662 42.198 22.780 1.00 26.85 ? 10 C A C2 1
1583
+ ATOM 204 O O2 . C A 1 10 ? 63.087 43.164 22.136 1.00 27.21 ? 10 C A O2 1
1584
+ ATOM 205 N N3 . C A 1 10 ? 61.376 42.127 23.212 1.00 21.21 ? 10 C A N3 1
1585
+ ATOM 206 C C4 . C A 1 10 ? 60.972 41.053 23.913 1.00 25.43 ? 10 C A C4 1
1586
+ ATOM 207 N N4 . C A 1 10 ? 59.702 40.978 24.299 1.00 24.33 ? 10 C A N4 1
1587
+ ATOM 208 C C5 . C A 1 10 ? 61.861 39.985 24.250 1.00 26.42 ? 10 C A C5 1
1588
+ ATOM 209 C C6 . C A 1 10 ? 63.118 40.061 23.811 1.00 27.94 ? 10 C A C6 1
1589
+ ATOM 210 O "O5'" . DG B 2 1 ? 53.437 48.801 21.193 1.00 46.07 ? 11 DG B "O5'" 1
1590
+ ATOM 211 C "C5'" . DG B 2 1 ? 54.052 49.938 20.538 1.00 42.20 ? 11 DG B "C5'" 1
1591
+ ATOM 212 C "C4'" . DG B 2 1 ? 55.495 49.641 20.200 1.00 38.54 ? 11 DG B "C4'" 1
1592
+ ATOM 213 O "O4'" . DG B 2 1 ? 56.161 49.164 21.379 1.00 40.26 ? 11 DG B "O4'" 1
1593
+ ATOM 214 C "C3'" . DG B 2 1 ? 55.727 48.517 19.218 1.00 38.10 ? 11 DG B "C3'" 1
1594
+ ATOM 215 O "O3'" . DG B 2 1 ? 55.689 48.984 17.896 1.00 38.16 ? 11 DG B "O3'" 1
1595
+ ATOM 216 C "C2'" . DG B 2 1 ? 57.166 48.157 19.503 1.00 41.01 ? 11 DG B "C2'" 1
1596
+ ATOM 217 C "C1'" . DG B 2 1 ? 57.261 48.334 21.005 1.00 38.21 ? 11 DG B "C1'" 1
1597
+ ATOM 218 N N9 . DG B 2 1 ? 57.174 47.088 21.769 1.00 39.14 ? 11 DG B N9 1
1598
+ ATOM 219 C C8 . DG B 2 1 ? 56.112 46.670 22.525 1.00 35.51 ? 11 DG B C8 1
1599
+ ATOM 220 N N7 . DG B 2 1 ? 56.334 45.549 23.142 1.00 31.82 ? 11 DG B N7 1
1600
+ ATOM 221 C C5 . DG B 2 1 ? 57.618 45.188 22.762 1.00 32.75 ? 11 DG B C5 1
1601
+ ATOM 222 C C6 . DG B 2 1 ? 58.403 44.062 23.142 1.00 33.69 ? 11 DG B C6 1
1602
+ ATOM 223 O O6 . DG B 2 1 ? 58.086 43.114 23.897 1.00 31.97 ? 11 DG B O6 1
1603
+ ATOM 224 N N1 . DG B 2 1 ? 59.666 44.096 22.556 1.00 30.45 ? 11 DG B N1 1
1604
+ ATOM 225 C C2 . DG B 2 1 ? 60.107 45.074 21.700 1.00 31.43 ? 11 DG B C2 1
1605
+ ATOM 226 N N2 . DG B 2 1 ? 61.356 44.943 21.258 1.00 24.75 ? 11 DG B N2 1
1606
+ ATOM 227 N N3 . DG B 2 1 ? 59.375 46.115 21.315 1.00 32.73 ? 11 DG B N3 1
1607
+ ATOM 228 C C4 . DG B 2 1 ? 58.150 46.113 21.898 1.00 35.53 ? 11 DG B C4 1
1608
+ ATOM 229 P P . DG B 2 2 ? 55.497 47.932 16.731 1.00 39.44 ? 12 DG B P 1
1609
+ ATOM 230 O OP1 . DG B 2 2 ? 55.265 48.648 15.460 1.00 49.40 ? 12 DG B OP1 1
1610
+ ATOM 231 O OP2 . DG B 2 2 ? 54.492 46.977 17.215 1.00 44.42 ? 12 DG B OP2 1
1611
+ ATOM 232 O "O5'" . DG B 2 2 ? 56.884 47.153 16.638 1.00 44.95 ? 12 DG B "O5'" 1
1612
+ ATOM 233 C "C5'" . DG B 2 2 ? 58.095 47.813 16.227 1.00 42.65 ? 12 DG B "C5'" 1
1613
+ ATOM 234 C "C4'" . DG B 2 2 ? 59.267 46.852 16.278 1.00 41.99 ? 12 DG B "C4'" 1
1614
+ ATOM 235 O "O4'" . DG B 2 2 ? 59.577 46.409 17.623 1.00 40.78 ? 12 DG B "O4'" 1
1615
+ ATOM 236 C "C3'" . DG B 2 2 ? 59.089 45.568 15.488 1.00 38.99 ? 12 DG B "C3'" 1
1616
+ ATOM 237 O "O3'" . DG B 2 2 ? 59.431 45.830 14.139 1.00 40.67 ? 12 DG B "O3'" 1
1617
+ ATOM 238 C "C2'" . DG B 2 2 ? 60.121 44.655 16.126 1.00 38.96 ? 12 DG B "C2'" 1
1618
+ ATOM 239 C "C1'" . DG B 2 2 ? 60.091 45.068 17.587 1.00 38.33 ? 12 DG B "C1'" 1
1619
+ ATOM 240 N N9 . DG B 2 2 ? 59.237 44.230 18.434 1.00 39.21 ? 12 DG B N9 1
1620
+ ATOM 241 C C8 . DG B 2 2 ? 57.928 44.473 18.791 1.00 35.16 ? 12 DG B C8 1
1621
+ ATOM 242 N N7 . DG B 2 2 ? 57.431 43.550 19.572 1.00 36.48 ? 12 DG B N7 1
1622
+ ATOM 243 C C5 . DG B 2 2 ? 58.463 42.624 19.726 1.00 34.79 ? 12 DG B C5 1
1623
+ ATOM 244 C C6 . DG B 2 2 ? 58.509 41.373 20.442 1.00 33.72 ? 12 DG B C6 1
1624
+ ATOM 245 O O6 . DG B 2 2 ? 57.616 40.813 21.096 1.00 35.55 ? 12 DG B O6 1
1625
+ ATOM 246 N N1 . DG B 2 2 ? 59.755 40.773 20.344 1.00 31.02 ? 12 DG B N1 1
1626
+ ATOM 247 C C2 . DG B 2 2 ? 60.823 41.287 19.664 1.00 30.32 ? 12 DG B C2 1
1627
+ ATOM 248 N N2 . DG B 2 2 ? 61.973 40.579 19.740 1.00 29.62 ? 12 DG B N2 1
1628
+ ATOM 249 N N3 . DG B 2 2 ? 60.786 42.418 18.967 1.00 35.12 ? 12 DG B N3 1
1629
+ ATOM 250 C C4 . DG B 2 2 ? 59.588 43.031 19.044 1.00 36.02 ? 12 DG B C4 1
1630
+ ATOM 251 P P . DC B 2 3 ? 58.910 44.862 12.976 1.00 40.46 ? 13 DC B P 1
1631
+ ATOM 252 O OP1 . DC B 2 3 ? 59.369 45.495 11.725 1.00 44.88 ? 13 DC B OP1 1
1632
+ ATOM 253 O OP2 . DC B 2 3 ? 57.480 44.617 13.177 1.00 43.97 ? 13 DC B OP2 1
1633
+ ATOM 254 O "O5'" . DC B 2 3 ? 59.709 43.504 13.199 1.00 41.86 ? 13 DC B "O5'" 1
1634
+ ATOM 255 C "C5'" . DC B 2 3 ? 61.082 43.383 12.793 1.00 39.26 ? 13 DC B "C5'" 1
1635
+ ATOM 256 C "C4'" . DC B 2 3 ? 61.682 42.103 13.330 1.00 38.44 ? 13 DC B "C4'" 1
1636
+ ATOM 257 O "O4'" . DC B 2 3 ? 61.495 42.051 14.755 1.00 37.86 ? 13 DC B "O4'" 1
1637
+ ATOM 258 C "C3'" . DC B 2 3 ? 61.097 40.785 12.841 1.00 35.68 ? 13 DC B "C3'" 1
1638
+ ATOM 259 O "O3'" . DC B 2 3 ? 61.661 40.404 11.582 1.00 36.53 ? 13 DC B "O3'" 1
1639
+ ATOM 260 C "C2'" . DC B 2 3 ? 61.576 39.832 13.922 1.00 34.44 ? 13 DC B "C2'" 1
1640
+ ATOM 261 C "C1'" . DC B 2 3 ? 61.395 40.678 15.179 1.00 34.56 ? 13 DC B "C1'" 1
1641
+ ATOM 262 N N1 . DC B 2 3 ? 60.100 40.509 15.881 1.00 29.43 ? 13 DC B N1 1
1642
+ ATOM 263 C C2 . DC B 2 3 ? 59.929 39.438 16.789 1.00 26.20 ? 13 DC B C2 1
1643
+ ATOM 264 O O2 . DC B 2 3 ? 60.830 38.589 16.930 1.00 22.38 ? 13 DC B O2 1
1644
+ ATOM 265 N N3 . DC B 2 3 ? 58.761 39.338 17.474 1.00 24.92 ? 13 DC B N3 1
1645
+ ATOM 266 C C4 . DC B 2 3 ? 57.783 40.217 17.262 1.00 21.43 ? 13 DC B C4 1
1646
+ ATOM 267 N N4 . DC B 2 3 ? 56.668 40.077 17.971 1.00 17.62 ? 13 DC B N4 1
1647
+ ATOM 268 C C5 . DC B 2 3 ? 57.911 41.283 16.318 1.00 22.97 ? 13 DC B C5 1
1648
+ ATOM 269 C C6 . DC B 2 3 ? 59.076 41.392 15.658 1.00 25.18 ? 13 DC B C6 1
1649
+ ATOM 270 P P . DG B 2 4 ? 60.909 39.307 10.680 1.00 38.28 ? 14 DG B P 1
1650
+ ATOM 271 O OP1 . DG B 2 4 ? 61.613 39.104 9.393 1.00 42.63 ? 14 DG B OP1 1
1651
+ ATOM 272 O OP2 . DG B 2 4 ? 59.473 39.725 10.693 1.00 40.09 ? 14 DG B OP2 1
1652
+ ATOM 273 O "O5'" . DG B 2 4 ? 61.063 37.941 11.475 1.00 36.97 ? 14 DG B "O5'" 1
1653
+ ATOM 274 C "C5'" . DG B 2 4 ? 62.276 37.192 11.428 1.00 31.97 ? 14 DG B "C5'" 1
1654
+ ATOM 275 C "C4'" . DG B 2 4 ? 62.120 35.937 12.245 1.00 31.01 ? 14 DG B "C4'" 1
1655
+ ATOM 276 O "O4'" . DG B 2 4 ? 61.706 36.279 13.586 1.00 32.11 ? 14 DG B "O4'" 1
1656
+ ATOM 277 C "C3'" . DG B 2 4 ? 60.994 35.059 11.745 1.00 32.58 ? 14 DG B "C3'" 1
1657
+ ATOM 278 O "O3'" . DG B 2 4 ? 61.472 34.207 10.719 1.00 34.74 ? 14 DG B "O3'" 1
1658
+ ATOM 279 C "C2'" . DG B 2 4 ? 60.648 34.243 12.978 1.00 33.96 ? 14 DG B "C2'" 1
1659
+ ATOM 280 C "C1'" . DG B 2 4 ? 60.858 35.243 14.099 1.00 30.93 ? 14 DG B "C1'" 1
1660
+ ATOM 281 N N9 . DG B 2 4 ? 59.605 35.844 14.534 1.00 27.06 ? 14 DG B N9 1
1661
+ ATOM 282 C C8 . DG B 2 4 ? 59.091 37.066 14.186 1.00 29.10 ? 14 DG B C8 1
1662
+ ATOM 283 N N7 . DG B 2 4 ? 57.928 37.311 14.740 1.00 29.53 ? 14 DG B N7 1
1663
+ ATOM 284 C C5 . DG B 2 4 ? 57.674 36.189 15.508 1.00 23.47 ? 14 DG B C5 1
1664
+ ATOM 285 C C6 . DG B 2 4 ? 56.595 35.898 16.367 1.00 23.66 ? 14 DG B C6 1
1665
+ ATOM 286 O O6 . DG B 2 4 ? 55.618 36.613 16.655 1.00 22.04 ? 14 DG B O6 1
1666
+ ATOM 287 N N1 . DG B 2 4 ? 56.736 34.647 16.946 1.00 20.67 ? 14 DG B N1 1
1667
+ ATOM 288 C C2 . DG B 2 4 ? 57.799 33.794 16.742 1.00 23.73 ? 14 DG B C2 1
1668
+ ATOM 289 N N2 . DG B 2 4 ? 57.763 32.628 17.381 1.00 28.49 ? 14 DG B N2 1
1669
+ ATOM 290 N N3 . DG B 2 4 ? 58.824 34.065 15.968 1.00 24.11 ? 14 DG B N3 1
1670
+ ATOM 291 C C4 . DG B 2 4 ? 58.699 35.272 15.386 1.00 26.38 ? 14 DG B C4 1
1671
+ ATOM 292 P P . DC B 2 5 ? 60.438 33.621 9.653 1.00 33.96 ? 15 DC B P 1
1672
+ ATOM 293 O OP1 . DC B 2 5 ? 61.249 33.073 8.537 1.00 37.98 ? 15 DC B OP1 1
1673
+ ATOM 294 O OP2 . DC B 2 5 ? 59.443 34.696 9.392 1.00 31.75 ? 15 DC B OP2 1
1674
+ ATOM 295 O "O5'" . DC B 2 5 ? 59.725 32.425 10.414 1.00 29.09 ? 15 DC B "O5'" 1
1675
+ ATOM 296 C "C5'" . DC B 2 5 ? 60.440 31.249 10.785 1.00 30.29 ? 15 DC B "C5'" 1
1676
+ ATOM 297 C "C4'" . DC B 2 5 ? 59.565 30.405 11.678 1.00 29.77 ? 15 DC B "C4'" 1
1677
+ ATOM 298 O "O4'" . DC B 2 5 ? 59.192 31.236 12.789 1.00 31.39 ? 15 DC B "O4'" 1
1678
+ ATOM 299 C "C3'" . DC B 2 5 ? 58.222 30.064 11.079 1.00 29.41 ? 15 DC B "C3'" 1
1679
+ ATOM 300 O "O3'" . DC B 2 5 ? 58.303 28.908 10.297 1.00 32.74 ? 15 DC B "O3'" 1
1680
+ ATOM 301 C "C2'" . DC B 2 5 ? 57.395 29.786 12.312 1.00 30.68 ? 15 DC B "C2'" 1
1681
+ ATOM 302 C "C1'" . DC B 2 5 ? 57.908 30.854 13.260 1.00 29.79 ? 15 DC B "C1'" 1
1682
+ ATOM 303 N N1 . DC B 2 5 ? 57.076 32.064 13.356 1.00 25.98 ? 15 DC B N1 1
1683
+ ATOM 304 C C2 . DC B 2 5 ? 56.035 32.062 14.271 1.00 27.07 ? 15 DC B C2 1
1684
+ ATOM 305 O O2 . DC B 2 5 ? 55.837 31.041 14.938 1.00 31.49 ? 15 DC B O2 1
1685
+ ATOM 306 N N3 . DC B 2 5 ? 55.255 33.155 14.410 1.00 27.00 ? 15 DC B N3 1
1686
+ ATOM 307 C C4 . DC B 2 5 ? 55.466 34.217 13.639 1.00 28.37 ? 15 DC B C4 1
1687
+ ATOM 308 N N4 . DC B 2 5 ? 54.605 35.257 13.760 1.00 25.37 ? 15 DC B N4 1
1688
+ ATOM 309 C C5 . DC B 2 5 ? 56.547 34.257 12.689 1.00 25.93 ? 15 DC B C5 1
1689
+ ATOM 310 C C6 . DC B 2 5 ? 57.317 33.165 12.583 1.00 23.80 ? 15 DC B C6 1
1690
+ ATOM 311 P P . DC B 2 6 ? 57.279 28.733 9.104 1.00 37.07 ? 16 DC B P 1
1691
+ ATOM 312 O OP1 . DC B 2 6 ? 58.025 28.045 8.004 1.00 37.71 ? 16 DC B OP1 1
1692
+ ATOM 313 O OP2 . DC B 2 6 ? 56.651 30.056 8.868 1.00 32.11 ? 16 DC B OP2 1
1693
+ ATOM 314 O "O5'" . DC B 2 6 ? 56.123 27.767 9.599 1.00 31.60 ? 16 DC B "O5'" 1
1694
+ ATOM 315 C "C5'" . DC B 2 6 ? 56.108 27.166 10.884 1.00 33.85 ? 16 DC B "C5'" 1
1695
+ ATOM 316 C "C4'" . DC B 2 6 ? 54.675 26.906 11.279 1.00 34.54 ? 16 DC B "C4'" 1
1696
+ ATOM 317 O "O4'" . DC B 2 6 ? 54.287 27.716 12.413 1.00 38.01 ? 16 DC B "O4'" 1
1697
+ ATOM 318 C "C3'" . DC B 2 6 ? 53.662 27.275 10.209 1.00 33.98 ? 16 DC B "C3'" 1
1698
+ ATOM 319 O "O3'" . DC B 2 6 ? 53.572 26.252 9.209 1.00 40.49 ? 16 DC B "O3'" 1
1699
+ ATOM 320 C "C2'" . DC B 2 6 ? 52.394 27.394 11.030 1.00 36.50 ? 16 DC B "C2'" 1
1700
+ ATOM 321 C "C1'" . DC B 2 6 ? 52.907 28.042 12.304 1.00 34.89 ? 16 DC B "C1'" 1
1701
+ ATOM 322 N N1 . DC B 2 6 ? 52.773 29.507 12.286 1.00 32.57 ? 16 DC B N1 1
1702
+ ATOM 323 C C2 . DC B 2 6 ? 51.763 30.051 13.048 1.00 30.99 ? 16 DC B C2 1
1703
+ ATOM 324 O O2 . DC B 2 6 ? 51.040 29.268 13.685 1.00 31.59 ? 16 DC B O2 1
1704
+ ATOM 325 N N3 . DC B 2 6 ? 51.582 31.409 13.073 1.00 25.03 ? 16 DC B N3 1
1705
+ ATOM 326 C C4 . DC B 2 6 ? 52.387 32.195 12.359 1.00 22.68 ? 16 DC B C4 1
1706
+ ATOM 327 N N4 . DC B 2 6 ? 52.194 33.483 12.440 1.00 21.90 ? 16 DC B N4 1
1707
+ ATOM 328 C C5 . DC B 2 6 ? 53.438 31.663 11.539 1.00 24.29 ? 16 DC B C5 1
1708
+ ATOM 329 C C6 . DC B 2 6 ? 53.597 30.317 11.537 1.00 28.44 ? 16 DC B C6 1
1709
+ ATOM 330 P P . DC B 2 7 ? 52.412 26.329 8.108 1.00 37.53 ? 17 DC B P 1
1710
+ ATOM 331 O OP1 . DC B 2 7 ? 52.407 25.083 7.365 1.00 41.03 ? 17 DC B OP1 1
1711
+ ATOM 332 O OP2 . DC B 2 7 ? 52.491 27.614 7.363 1.00 37.15 ? 17 DC B OP2 1
1712
+ ATOM 333 O "O5'" . DC B 2 7 ? 51.116 26.308 9.023 1.00 40.86 ? 17 DC B "O5'" 1
1713
+ ATOM 334 C "C5'" . DC B 2 7 ? 49.822 26.182 8.469 1.00 39.75 ? 17 DC B "C5'" 1
1714
+ ATOM 335 C "C4'" . DC B 2 7 ? 48.757 26.759 9.380 1.00 36.01 ? 17 DC B "C4'" 1
1715
+ ATOM 336 O "O4'" . DC B 2 7 ? 49.222 27.683 10.396 1.00 33.49 ? 17 DC B "O4'" 1
1716
+ ATOM 337 C "C3'" . DC B 2 7 ? 47.859 27.607 8.491 1.00 37.04 ? 17 DC B "C3'" 1
1717
+ ATOM 338 O "O3'" . DC B 2 7 ? 46.960 26.747 7.817 1.00 37.17 ? 17 DC B "O3'" 1
1718
+ ATOM 339 C "C2'" . DC B 2 7 ? 47.190 28.555 9.467 1.00 35.24 ? 17 DC B "C2'" 1
1719
+ ATOM 340 C "C1'" . DC B 2 7 ? 48.308 28.793 10.487 1.00 32.20 ? 17 DC B "C1'" 1
1720
+ ATOM 341 N N1 . DC B 2 7 ? 49.047 30.055 10.225 1.00 28.99 ? 17 DC B N1 1
1721
+ ATOM 342 C C2 . DC B 2 7 ? 48.474 31.268 10.685 1.00 24.88 ? 17 DC B C2 1
1722
+ ATOM 343 O O2 . DC B 2 7 ? 47.421 31.223 11.325 1.00 28.14 ? 17 DC B O2 1
1723
+ ATOM 344 N N3 . DC B 2 7 ? 49.094 32.447 10.427 1.00 20.90 ? 17 DC B N3 1
1724
+ ATOM 345 C C4 . DC B 2 7 ? 50.243 32.452 9.756 1.00 21.14 ? 17 DC B C4 1
1725
+ ATOM 346 N N4 . DC B 2 7 ? 50.823 33.648 9.520 1.00 21.02 ? 17 DC B N4 1
1726
+ ATOM 347 C C5 . DC B 2 7 ? 50.859 31.228 9.287 1.00 21.55 ? 17 DC B C5 1
1727
+ ATOM 348 C C6 . DC B 2 7 ? 50.236 30.073 9.541 1.00 21.80 ? 17 DC B C6 1
1728
+ ATOM 349 P P . DG B 2 8 ? 46.423 27.163 6.390 1.00 38.19 ? 18 DG B P 1
1729
+ ATOM 350 O OP1 . DG B 2 8 ? 45.842 25.893 5.904 1.00 42.68 ? 18 DG B OP1 1
1730
+ ATOM 351 O OP2 . DG B 2 8 ? 47.529 27.863 5.643 1.00 32.53 ? 18 DG B OP2 1
1731
+ ATOM 352 O "O5'" . DG B 2 8 ? 45.232 28.200 6.646 1.00 37.36 ? 18 DG B "O5'" 1
1732
+ ATOM 353 C "C5'" . DG B 2 8 ? 44.206 27.926 7.612 1.00 33.74 ? 18 DG B "C5'" 1
1733
+ ATOM 354 C "C4'" . DG B 2 8 ? 43.488 29.203 7.953 1.00 30.84 ? 18 DG B "C4'" 1
1734
+ ATOM 355 O "O4'" . DG B 2 8 ? 44.502 30.080 8.447 1.00 31.35 ? 18 DG B "O4'" 1
1735
+ ATOM 356 C "C3'" . DG B 2 8 ? 42.929 29.900 6.720 1.00 34.20 ? 18 DG B "C3'" 1
1736
+ ATOM 357 O "O3'" . DG B 2 8 ? 41.503 29.808 6.681 1.00 38.98 ? 18 DG B "O3'" 1
1737
+ ATOM 358 C "C2'" . DG B 2 8 ? 43.288 31.355 6.917 1.00 37.81 ? 18 DG B "C2'" 1
1738
+ ATOM 359 C "C1'" . DG B 2 8 ? 44.119 31.406 8.178 1.00 35.01 ? 18 DG B "C1'" 1
1739
+ ATOM 360 N N9 . DG B 2 8 ? 45.325 32.198 7.939 1.00 34.43 ? 18 DG B N9 1
1740
+ ATOM 361 C C8 . DG B 2 8 ? 46.536 31.764 7.463 1.00 31.72 ? 18 DG B C8 1
1741
+ ATOM 362 N N7 . DG B 2 8 ? 47.395 32.734 7.300 1.00 30.17 ? 18 DG B N7 1
1742
+ ATOM 363 C C5 . DG B 2 8 ? 46.715 33.869 7.723 1.00 29.20 ? 18 DG B C5 1
1743
+ ATOM 364 C C6 . DG B 2 8 ? 47.140 35.216 7.820 1.00 28.24 ? 18 DG B C6 1
1744
+ ATOM 365 O O6 . DG B 2 8 ? 48.253 35.689 7.592 1.00 27.19 ? 18 DG B O6 1
1745
+ ATOM 366 N N1 . DG B 2 8 ? 46.117 36.043 8.258 1.00 24.37 ? 18 DG B N1 1
1746
+ ATOM 367 C C2 . DG B 2 8 ? 44.871 35.627 8.586 1.00 25.59 ? 18 DG B C2 1
1747
+ ATOM 368 N N2 . DG B 2 8 ? 44.029 36.570 8.927 1.00 26.55 ? 18 DG B N2 1
1748
+ ATOM 369 N N3 . DG B 2 8 ? 44.477 34.376 8.565 1.00 27.45 ? 18 DG B N3 1
1749
+ ATOM 370 C C4 . DG B 2 8 ? 45.440 33.556 8.115 1.00 28.91 ? 18 DG B C4 1
1750
+ ATOM 371 P P . DA B 2 9 ? 40.704 30.230 5.345 1.00 33.09 ? 19 DA B P 1
1751
+ ATOM 372 O OP1 . DA B 2 9 ? 39.351 29.637 5.511 1.00 39.47 ? 19 DA B OP1 1
1752
+ ATOM 373 O OP2 . DA B 2 9 ? 41.516 29.892 4.154 1.00 39.20 ? 19 DA B OP2 1
1753
+ ATOM 374 O "O5'" . DA B 2 9 ? 40.541 31.813 5.402 1.00 30.04 ? 19 DA B "O5'" 1
1754
+ ATOM 375 C "C5'" . DA B 2 9 ? 39.804 32.405 6.455 1.00 32.83 ? 19 DA B "C5'" 1
1755
+ ATOM 376 C "C4'" . DA B 2 9 ? 39.644 33.887 6.226 1.00 37.76 ? 19 DA B "C4'" 1
1756
+ ATOM 377 O "O4'" . DA B 2 9 ? 40.879 34.603 6.430 1.00 35.33 ? 19 DA B "O4'" 1
1757
+ ATOM 378 C "C3'" . DA B 2 9 ? 39.120 34.308 4.860 1.00 39.97 ? 19 DA B "C3'" 1
1758
+ ATOM 379 O "O3'" . DA B 2 9 ? 38.158 35.360 5.041 1.00 46.97 ? 19 DA B "O3'" 1
1759
+ ATOM 380 C "C2'" . DA B 2 9 ? 40.361 34.829 4.167 1.00 37.37 ? 19 DA B "C2'" 1
1760
+ ATOM 381 C "C1'" . DA B 2 9 ? 41.189 35.390 5.303 1.00 32.10 ? 19 DA B "C1'" 1
1761
+ ATOM 382 N N9 . DA B 2 9 ? 42.626 35.255 5.054 1.00 30.45 ? 19 DA B N9 1
1762
+ ATOM 383 C C8 . DA B 2 9 ? 43.304 34.120 4.706 1.00 24.25 ? 19 DA B C8 1
1763
+ ATOM 384 N N7 . DA B 2 9 ? 44.582 34.316 4.502 1.00 28.14 ? 19 DA B N7 1
1764
+ ATOM 385 C C5 . DA B 2 9 ? 44.762 35.676 4.754 1.00 29.31 ? 19 DA B C5 1
1765
+ ATOM 386 C C6 . DA B 2 9 ? 45.895 36.524 4.707 1.00 26.72 ? 19 DA B C6 1
1766
+ ATOM 387 N N6 . DA B 2 9 ? 47.122 36.117 4.387 1.00 30.12 ? 19 DA B N6 1
1767
+ ATOM 388 N N1 . DA B 2 9 ? 45.721 37.818 5.011 1.00 27.31 ? 19 DA B N1 1
1768
+ ATOM 389 C C2 . DA B 2 9 ? 44.509 38.236 5.345 1.00 25.30 ? 19 DA B C2 1
1769
+ ATOM 390 N N3 . DA B 2 9 ? 43.381 37.557 5.420 1.00 30.31 ? 19 DA B N3 1
1770
+ ATOM 391 C C4 . DA B 2 9 ? 43.571 36.262 5.106 1.00 29.90 ? 19 DA B C4 1
1771
+ ATOM 392 P P . DA B 2 10 ? 37.463 36.059 3.769 1.00 48.74 ? 20 DA B P 1
1772
+ ATOM 393 O OP1 . DA B 2 10 ? 36.025 36.179 4.073 1.00 50.01 ? 20 DA B OP1 1
1773
+ ATOM 394 O OP2 . DA B 2 10 ? 37.896 35.410 2.488 1.00 39.66 ? 20 DA B OP2 1
1774
+ ATOM 395 O "O5'" . DA B 2 10 ? 38.078 37.513 3.816 1.00 41.26 ? 20 DA B "O5'" 1
1775
+ ATOM 396 C "C5'" . DA B 2 10 ? 37.891 38.357 2.704 1.00 46.58 ? 20 DA B "C5'" 1
1776
+ ATOM 397 C "C4'" . DA B 2 10 ? 38.803 39.547 2.797 1.00 42.76 ? 20 DA B "C4'" 1
1777
+ ATOM 398 O "O4'" . DA B 2 10 ? 40.147 39.081 3.063 1.00 41.91 ? 20 DA B "O4'" 1
1778
+ ATOM 399 C "C3'" . DA B 2 10 ? 38.870 40.260 1.455 1.00 42.54 ? 20 DA B "C3'" 1
1779
+ ATOM 400 O "O3'" . DA B 2 10 ? 39.150 41.652 1.686 1.00 48.39 ? 20 DA B "O3'" 1
1780
+ ATOM 401 C "C2'" . DA B 2 10 ? 40.033 39.544 0.791 1.00 40.66 ? 20 DA B "C2'" 1
1781
+ ATOM 402 C "C1'" . DA B 2 10 ? 40.964 39.463 1.982 1.00 37.28 ? 20 DA B "C1'" 1
1782
+ ATOM 403 N N9 . DA B 2 10 ? 42.063 38.510 1.881 1.00 35.89 ? 20 DA B N9 1
1783
+ ATOM 404 C C8 . DA B 2 10 ? 42.049 37.151 1.729 1.00 31.21 ? 20 DA B C8 1
1784
+ ATOM 405 N N7 . DA B 2 10 ? 43.249 36.618 1.635 1.00 33.59 ? 20 DA B N7 1
1785
+ ATOM 406 C C5 . DA B 2 10 ? 44.110 37.710 1.745 1.00 33.19 ? 20 DA B C5 1
1786
+ ATOM 407 C C6 . DA B 2 10 ? 45.527 37.835 1.715 1.00 31.15 ? 20 DA B C6 1
1787
+ ATOM 408 N N6 . DA B 2 10 ? 46.364 36.816 1.614 1.00 31.47 ? 20 DA B N6 1
1788
+ ATOM 409 N N1 . DA B 2 10 ? 46.052 39.072 1.813 1.00 31.40 ? 20 DA B N1 1
1789
+ ATOM 410 C C2 . DA B 2 10 ? 45.217 40.112 1.963 1.00 30.99 ? 20 DA B C2 1
1790
+ ATOM 411 N N3 . DA B 2 10 ? 43.885 40.122 2.031 1.00 33.08 ? 20 DA B N3 1
1791
+ ATOM 412 C C4 . DA B 2 10 ? 43.390 38.877 1.905 1.00 34.51 ? 20 DA B C4 1
1792
+ HETATM 413 O O . HOH C 3 . ? 50.611 49.321 8.380 1.00 49.04 ? 21 HOH A O 1
1793
+ HETATM 414 O O . HOH C 3 . ? 40.647 41.417 12.472 1.00 42.29 ? 22 HOH A O 1
1794
+ HETATM 415 O O . HOH C 3 . ? 42.325 43.806 16.550 1.00 60.46 ? 23 HOH A O 1
1795
+ HETATM 416 O O . HOH C 3 . ? 47.795 38.062 15.366 1.00 48.59 ? 24 HOH A O 1
1796
+ HETATM 417 O O . HOH C 3 . ? 49.519 42.892 11.435 1.00 45.34 ? 25 HOH A O 1
1797
+ HETATM 418 O O . HOH C 3 . ? 46.427 36.653 18.479 1.00 35.00 ? 26 HOH A O 1
1798
+ HETATM 419 O O . HOH C 3 . ? 45.714 30.704 24.255 1.00 73.53 ? 27 HOH A O 1
1799
+ HETATM 420 O O . HOH C 3 . ? 44.372 33.202 24.151 1.00 51.04 ? 28 HOH A O 1
1800
+ HETATM 421 O O . HOH C 3 . ? 53.834 35.904 22.966 1.00 53.11 ? 29 HOH A O 1
1801
+ HETATM 422 O O . HOH C 3 . ? 63.242 31.041 27.687 1.00 16.85 ? 31 HOH A O 1
1802
+ HETATM 423 O O . HOH C 3 . ? 61.343 37.031 26.159 1.00 35.96 ? 32 HOH A O 1
1803
+ HETATM 424 O O . HOH C 3 . ? 59.535 38.869 26.207 1.00 46.06 ? 33 HOH A O 1
1804
+ HETATM 425 O O . HOH C 3 . ? 55.837 37.488 24.347 1.00 30.92 ? 34 HOH A O 1
1805
+ HETATM 426 O O . HOH C 3 . ? 66.580 32.493 26.374 1.00 63.59 ? 35 HOH A O 1
1806
+ HETATM 427 O O . HOH C 3 . ? 67.799 34.437 23.359 1.00 45.14 ? 36 HOH A O 1
1807
+ HETATM 428 O O . HOH C 3 . ? 67.194 39.766 19.320 1.00 50.58 ? 37 HOH A O 1
1808
+ HETATM 429 O O . HOH C 3 . ? 61.923 32.226 19.160 1.00 40.24 ? 38 HOH A O 1
1809
+ HETATM 430 O O . HOH C 3 . ? 56.400 29.245 18.781 1.00 65.62 ? 40 HOH A O 1
1810
+ HETATM 431 O O . HOH C 3 . ? 50.654 28.281 18.298 1.00 42.13 ? 41 HOH A O 1
1811
+ HETATM 432 O O . HOH C 3 . ? 42.784 43.989 7.350 1.00 64.08 ? 54 HOH A O 1
1812
+ HETATM 433 O O . HOH C 3 . ? 50.120 39.467 11.413 1.00 49.06 ? 56 HOH A O 1
1813
+ HETATM 434 O O . HOH C 3 . ? 40.372 43.097 10.428 1.00 64.04 ? 58 HOH A O 1
1814
+ HETATM 435 O O . HOH C 3 . ? 39.674 38.694 14.248 1.00 66.18 ? 59 HOH A O 1
1815
+ HETATM 436 O O . HOH C 3 . ? 43.790 37.653 20.680 1.00 41.08 ? 60 HOH A O 1
1816
+ HETATM 437 O O . HOH C 3 . ? 40.116 33.980 18.830 1.00 46.02 ? 61 HOH A O 1
1817
+ HETATM 438 O O . HOH C 3 . ? 57.640 34.811 25.053 1.00 77.56 ? 62 HOH A O 1
1818
+ HETATM 439 O O . HOH C 3 . ? 68.969 39.376 26.809 1.00 57.48 ? 64 HOH A O 1
1819
+ HETATM 440 O O . HOH C 3 . ? 51.704 36.706 9.017 1.00 52.04 ? 68 HOH A O 1
1820
+ HETATM 441 O O . HOH C 3 . ? 49.397 35.110 21.020 1.00 50.34 ? 71 HOH A O 1
1821
+ HETATM 442 O O . HOH C 3 . ? 51.978 30.033 26.816 1.00 64.78 ? 72 HOH A O 1
1822
+ HETATM 443 O O . HOH C 3 . ? 58.452 40.664 28.145 1.00 45.29 ? 73 HOH A O 1
1823
+ HETATM 444 O O . HOH C 3 . ? 58.164 27.792 20.844 1.00 71.55 ? 75 HOH A O 1
1824
+ HETATM 445 O O . HOH C 3 . ? 64.862 37.714 19.428 1.00 50.85 ? 76 HOH A O 1
1825
+ HETATM 446 O O . HOH C 3 . ? 51.853 39.856 8.960 1.00 54.15 ? 78 HOH A O 1
1826
+ HETATM 447 O O . HOH C 3 . ? 39.866 38.730 10.986 1.00 72.48 ? 80 HOH A O 1
1827
+ HETATM 448 O O . HOH C 3 . ? 67.129 34.127 20.218 1.00 50.14 ? 82 HOH A O 1
1828
+ HETATM 449 O O . HOH C 3 . ? 66.893 34.709 28.254 1.00 63.26 ? 83 HOH A O 1
1829
+ HETATM 450 O O . HOH C 3 . ? 64.715 32.859 19.682 1.00 41.40 ? 84 HOH A O 1
1830
+ HETATM 451 O O . HOH C 3 . ? 67.864 38.849 16.158 1.00 50.02 ? 85 HOH A O 1
1831
+ HETATM 452 O O . HOH C 3 . ? 46.826 48.202 13.226 1.00 69.82 ? 86 HOH A O 1
1832
+ HETATM 453 O O . HOH C 3 . ? 63.192 35.006 17.343 1.00 54.05 ? 88 HOH A O 1
1833
+ HETATM 454 O O . HOH C 3 . ? 36.791 40.995 14.165 1.00 63.32 ? 89 HOH A O 1
1834
+ HETATM 455 O O . HOH C 3 . ? 48.283 40.466 14.445 1.00 72.22 ? 90 HOH A O 1
1835
+ HETATM 456 O O . HOH C 3 . ? 54.573 38.247 21.010 1.00 66.70 ? 91 HOH A O 1
1836
+ HETATM 457 O O . HOH C 3 . ? 51.744 47.456 10.847 1.00 47.79 ? 92 HOH A O 1
1837
+ HETATM 458 O O . HOH D 3 . ? 60.112 27.317 6.737 1.00 52.17 ? 30 HOH B O 1
1838
+ HETATM 459 O O . HOH D 3 . ? 60.879 32.551 16.264 1.00 51.91 ? 39 HOH B O 1
1839
+ HETATM 460 O O . HOH D 3 . ? 51.612 27.722 15.920 1.00 59.77 ? 42 HOH B O 1
1840
+ HETATM 461 O O . HOH D 3 . ? 56.356 28.746 15.524 1.00 52.86 ? 43 HOH B O 1
1841
+ HETATM 462 O O . HOH D 3 . ? 53.664 34.789 10.080 1.00 33.54 ? 44 HOH B O 1
1842
+ HETATM 463 O O . HOH D 3 . ? 57.844 36.566 10.602 1.00 58.57 ? 45 HOH B O 1
1843
+ HETATM 464 O O . HOH D 3 . ? 53.476 30.283 7.112 1.00 38.65 ? 46 HOH B O 1
1844
+ HETATM 465 O O . HOH D 3 . ? 50.665 35.085 6.470 1.00 57.61 ? 47 HOH B O 1
1845
+ HETATM 466 O O . HOH D 3 . ? 50.728 24.432 5.061 1.00 45.64 ? 48 HOH B O 1
1846
+ HETATM 467 O O . HOH D 3 . ? 47.194 33.549 3.114 1.00 66.15 ? 49 HOH B O 1
1847
+ HETATM 468 O O . HOH D 3 . ? 55.789 41.156 22.784 1.00 57.34 ? 50 HOH B O 1
1848
+ HETATM 469 O O . HOH D 3 . ? 54.425 44.475 17.042 1.00 50.47 ? 51 HOH B O 1
1849
+ HETATM 470 O O . HOH D 3 . ? 61.218 36.779 7.503 1.00 60.64 ? 52 HOH B O 1
1850
+ HETATM 471 O O . HOH D 3 . ? 34.339 37.387 2.282 1.00 66.35 ? 53 HOH B O 1
1851
+ HETATM 472 O O . HOH D 3 . ? 47.628 30.424 4.173 1.00 60.87 ? 55 HOH B O 1
1852
+ HETATM 473 O O . HOH D 3 . ? 38.226 32.901 2.032 1.00 102.27 ? 57 HOH B O 1
1853
+ HETATM 474 O O . HOH D 3 . ? 56.112 43.736 15.137 1.00 50.78 ? 63 HOH B O 1
1854
+ HETATM 475 O O . HOH D 3 . ? 50.701 26.845 4.104 1.00 61.23 ? 65 HOH B O 1
1855
+ HETATM 476 O O . HOH D 3 . ? 53.367 33.123 7.627 1.00 36.39 ? 66 HOH B O 1
1856
+ HETATM 477 O O . HOH D 3 . ? 56.366 41.476 13.610 1.00 59.55 ? 67 HOH B O 1
1857
+ HETATM 478 O O . HOH D 3 . ? 58.612 25.465 8.787 1.00 52.66 ? 69 HOH B O 1
1858
+ HETATM 479 O O . HOH D 3 . ? 53.393 23.362 11.417 1.00 80.16 ? 70 HOH B O 1
1859
+ HETATM 480 O O . HOH D 3 . ? 55.973 46.493 12.115 1.00 71.85 ? 74 HOH B O 1
1860
+ HETATM 481 O O . HOH D 3 . ? 63.508 38.560 17.218 1.00 59.97 ? 77 HOH B O 1
1861
+ HETATM 482 O O . HOH D 3 . ? 52.669 24.574 15.900 1.00 76.77 ? 79 HOH B O 1
1862
+ HETATM 483 O O . HOH D 3 . ? 56.241 33.396 9.238 1.00 73.53 ? 81 HOH B O 1
1863
+ HETATM 484 O O . HOH D 3 . ? 55.782 25.662 7.120 1.00 69.21 ? 87 HOH B O 1
1864
+ #
structures/1hs8.cif ADDED
@@ -0,0 +1,1321 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1HS8
2
+ #
3
+ _entry.id 1HS8
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 1HS8 pdb_00001hs8 10.2210/pdb1hs8/pdb
15
+ RCSB RCSB012559 ? ?
16
+ WWPDB D_1000012559 ? ?
17
+ #
18
+ loop_
19
+ _pdbx_audit_revision_history.ordinal
20
+ _pdbx_audit_revision_history.data_content_type
21
+ _pdbx_audit_revision_history.major_revision
22
+ _pdbx_audit_revision_history.minor_revision
23
+ _pdbx_audit_revision_history.revision_date
24
+ 1 'Structure model' 1 0 2003-09-02
25
+ 2 'Structure model' 1 1 2008-04-27
26
+ 3 'Structure model' 1 2 2011-07-13
27
+ 4 'Structure model' 1 3 2022-02-23
28
+ 5 'Structure model' 1 4 2024-05-22
29
+ #
30
+ _pdbx_audit_revision_details.ordinal 1
31
+ _pdbx_audit_revision_details.revision_ordinal 1
32
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
33
+ _pdbx_audit_revision_details.provider repository
34
+ _pdbx_audit_revision_details.type 'Initial release'
35
+ _pdbx_audit_revision_details.description ?
36
+ _pdbx_audit_revision_details.details ?
37
+ #
38
+ loop_
39
+ _pdbx_audit_revision_group.ordinal
40
+ _pdbx_audit_revision_group.revision_ordinal
41
+ _pdbx_audit_revision_group.data_content_type
42
+ _pdbx_audit_revision_group.group
43
+ 1 2 'Structure model' 'Version format compliance'
44
+ 2 3 'Structure model' 'Version format compliance'
45
+ 3 4 'Structure model' 'Data collection'
46
+ 4 4 'Structure model' 'Database references'
47
+ 5 4 'Structure model' 'Derived calculations'
48
+ 6 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_nmr_software
57
+ 3 4 'Structure model' pdbx_struct_assembly
58
+ 4 4 'Structure model' pdbx_struct_oper_list
59
+ 5 5 'Structure model' chem_comp_atom
60
+ 6 5 'Structure model' chem_comp_bond
61
+ #
62
+ loop_
63
+ _pdbx_audit_revision_item.ordinal
64
+ _pdbx_audit_revision_item.revision_ordinal
65
+ _pdbx_audit_revision_item.data_content_type
66
+ _pdbx_audit_revision_item.item
67
+ 1 4 'Structure model' '_database_2.pdbx_DOI'
68
+ 2 4 'Structure model' '_database_2.pdbx_database_accession'
69
+ 3 4 'Structure model' '_pdbx_nmr_software.name'
70
+ #
71
+ _pdbx_database_status.status_code REL
72
+ _pdbx_database_status.entry_id 1HS8
73
+ _pdbx_database_status.recvd_initial_deposition_date 2000-12-25
74
+ _pdbx_database_status.deposit_site RCSB
75
+ _pdbx_database_status.process_site RCSB
76
+ _pdbx_database_status.SG_entry .
77
+ _pdbx_database_status.pdb_format_compatible Y
78
+ _pdbx_database_status.status_code_mr ?
79
+ _pdbx_database_status.status_code_sf ?
80
+ _pdbx_database_status.status_code_cs ?
81
+ _pdbx_database_status.status_code_nmr_data ?
82
+ _pdbx_database_status.methods_development_category ?
83
+ #
84
+ loop_
85
+ _pdbx_database_related.db_name
86
+ _pdbx_database_related.db_id
87
+ _pdbx_database_related.details
88
+ _pdbx_database_related.content_type
89
+ PDB 1HS1 'RNA hairpin loop UUAACU as part of hairpin r(GCGUUAACUCGCA)' unspecified
90
+ PDB 1HS2 'RNA hairpin loop UUAAGU as part of hairpin r(GCGUUAAGUCGCA)' unspecified
91
+ PDB 1HS3 'RNA hairpin loop UUAAUU as part of hairpin r(GCGUUAAUUCGCA)' unspecified
92
+ PDB 1HS4 'RNA hairpin loop UUAAAU as part of hairpin r(GCGUUAAAUCGCA)' unspecified
93
+ #
94
+ loop_
95
+ _audit_author.name
96
+ _audit_author.pdbx_ordinal
97
+ 'Zhang, H.' 1
98
+ 'Ricart, B.' 2
99
+ 'Huck, M.' 3
100
+ 'Krugh, T.R.' 4
101
+ #
102
+ _citation.id primary
103
+ _citation.title 'Structural Characterization of Six-Nucleotide RNA Hairpin loops r(UCAAUU)'
104
+ _citation.journal_abbrev 'To be Published'
105
+ _citation.journal_volume ?
106
+ _citation.page_first ?
107
+ _citation.page_last ?
108
+ _citation.year ?
109
+ _citation.journal_id_ASTM ?
110
+ _citation.country ?
111
+ _citation.journal_id_ISSN ?
112
+ _citation.journal_id_CSD 0353
113
+ _citation.book_publisher ?
114
+ _citation.pdbx_database_id_PubMed ?
115
+ _citation.pdbx_database_id_DOI ?
116
+ #
117
+ loop_
118
+ _citation_author.citation_id
119
+ _citation_author.name
120
+ _citation_author.ordinal
121
+ _citation_author.identifier_ORCID
122
+ primary 'Zhang, H.' 1 ?
123
+ primary 'Ricart, B.' 2 ?
124
+ primary 'Huck, M.' 3 ?
125
+ primary 'Krugh, T.R.' 4 ?
126
+ #
127
+ _entity.id 1
128
+ _entity.type polymer
129
+ _entity.src_method syn
130
+ _entity.pdbx_description "5'-R(*GP*CP*GP*UP*CP*AP*AP*UP*UP*CP*GP*CP*A)-3'"
131
+ _entity.formula_weight 4117.501
132
+ _entity.pdbx_number_of_molecules 1
133
+ _entity.pdbx_ec ?
134
+ _entity.pdbx_mutation ?
135
+ _entity.pdbx_fragment ?
136
+ _entity.details ?
137
+ #
138
+ _entity_poly.entity_id 1
139
+ _entity_poly.type polyribonucleotide
140
+ _entity_poly.nstd_linkage no
141
+ _entity_poly.nstd_monomer no
142
+ _entity_poly.pdbx_seq_one_letter_code GCGUCAAUUCGCA
143
+ _entity_poly.pdbx_seq_one_letter_code_can GCGUCAAUUCGCA
144
+ _entity_poly.pdbx_strand_id A
145
+ _entity_poly.pdbx_target_identifier ?
146
+ #
147
+ loop_
148
+ _entity_poly_seq.entity_id
149
+ _entity_poly_seq.num
150
+ _entity_poly_seq.mon_id
151
+ _entity_poly_seq.hetero
152
+ 1 1 G n
153
+ 1 2 C n
154
+ 1 3 G n
155
+ 1 4 U n
156
+ 1 5 C n
157
+ 1 6 A n
158
+ 1 7 A n
159
+ 1 8 U n
160
+ 1 9 U n
161
+ 1 10 C n
162
+ 1 11 G n
163
+ 1 12 C n
164
+ 1 13 A n
165
+ #
166
+ loop_
167
+ _chem_comp.id
168
+ _chem_comp.type
169
+ _chem_comp.mon_nstd_flag
170
+ _chem_comp.name
171
+ _chem_comp.pdbx_synonyms
172
+ _chem_comp.formula
173
+ _chem_comp.formula_weight
174
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
175
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
176
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
177
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
178
+ #
179
+ loop_
180
+ _pdbx_poly_seq_scheme.asym_id
181
+ _pdbx_poly_seq_scheme.entity_id
182
+ _pdbx_poly_seq_scheme.seq_id
183
+ _pdbx_poly_seq_scheme.mon_id
184
+ _pdbx_poly_seq_scheme.ndb_seq_num
185
+ _pdbx_poly_seq_scheme.pdb_seq_num
186
+ _pdbx_poly_seq_scheme.auth_seq_num
187
+ _pdbx_poly_seq_scheme.pdb_mon_id
188
+ _pdbx_poly_seq_scheme.auth_mon_id
189
+ _pdbx_poly_seq_scheme.pdb_strand_id
190
+ _pdbx_poly_seq_scheme.pdb_ins_code
191
+ _pdbx_poly_seq_scheme.hetero
192
+ A 1 1 G 1 1 1 G G A . n
193
+ A 1 2 C 2 2 2 C C A . n
194
+ A 1 3 G 3 3 3 G G A . n
195
+ A 1 4 U 4 4 4 U U A . n
196
+ A 1 5 C 5 5 5 C C A . n
197
+ A 1 6 A 6 6 6 A A A . n
198
+ A 1 7 A 7 7 7 A A A . n
199
+ A 1 8 U 8 8 8 U U A . n
200
+ A 1 9 U 9 9 9 U U A . n
201
+ A 1 10 C 10 10 10 C C A . n
202
+ A 1 11 G 11 11 11 G G A . n
203
+ A 1 12 C 12 12 12 C C A . n
204
+ A 1 13 A 13 13 13 A A A . n
205
+ #
206
+ _exptl.entry_id 1HS8
207
+ _exptl.method 'SOLUTION NMR'
208
+ _exptl.crystals_number ?
209
+ #
210
+ _exptl_crystal.id 1
211
+ _exptl_crystal.density_meas ?
212
+ _exptl_crystal.density_Matthews ?
213
+ _exptl_crystal.density_percent_sol ?
214
+ _exptl_crystal.description ?
215
+ #
216
+ _diffrn.id 1
217
+ _diffrn.ambient_temp ?
218
+ _diffrn.ambient_temp_details ?
219
+ _diffrn.crystal_id 1
220
+ #
221
+ _diffrn_radiation.diffrn_id 1
222
+ _diffrn_radiation.wavelength_id 1
223
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
224
+ _diffrn_radiation.monochromator ?
225
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
226
+ _diffrn_radiation.pdbx_scattering_type ?
227
+ #
228
+ _diffrn_radiation_wavelength.id 1
229
+ _diffrn_radiation_wavelength.wavelength .
230
+ _diffrn_radiation_wavelength.wt 1.0
231
+ #
232
+ _database_PDB_matrix.entry_id 1HS8
233
+ _database_PDB_matrix.origx[1][1] 1.000000
234
+ _database_PDB_matrix.origx[1][2] 0.000000
235
+ _database_PDB_matrix.origx[1][3] 0.000000
236
+ _database_PDB_matrix.origx[2][1] 0.000000
237
+ _database_PDB_matrix.origx[2][2] 1.000000
238
+ _database_PDB_matrix.origx[2][3] 0.000000
239
+ _database_PDB_matrix.origx[3][1] 0.000000
240
+ _database_PDB_matrix.origx[3][2] 0.000000
241
+ _database_PDB_matrix.origx[3][3] 1.000000
242
+ _database_PDB_matrix.origx_vector[1] 0.00000
243
+ _database_PDB_matrix.origx_vector[2] 0.00000
244
+ _database_PDB_matrix.origx_vector[3] 0.00000
245
+ #
246
+ _struct.entry_id 1HS8
247
+ _struct.title 'SOLUTION STRUCTURE OF RNA HAIRPIN LOOP UCAAUU AS PART OF HAIRPIN R(GCGUCAAUUCGCA)'
248
+ _struct.pdbx_model_details ?
249
+ _struct.pdbx_CASP_flag ?
250
+ _struct.pdbx_model_type_details ?
251
+ #
252
+ _struct_keywords.entry_id 1HS8
253
+ _struct_keywords.pdbx_keywords RNA
254
+ _struct_keywords.text 'ribonucleic acid, hairpin loop, RNA structure, RNA'
255
+ #
256
+ _struct_asym.id A
257
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
258
+ _struct_asym.pdbx_modified N
259
+ _struct_asym.entity_id 1
260
+ _struct_asym.details ?
261
+ #
262
+ _struct_ref.id 1
263
+ _struct_ref.entity_id 1
264
+ _struct_ref.db_name PDB
265
+ _struct_ref.db_code 1HS8
266
+ _struct_ref.pdbx_db_accession 1HS8
267
+ _struct_ref.pdbx_db_isoform ?
268
+ _struct_ref.pdbx_seq_one_letter_code ?
269
+ _struct_ref.pdbx_align_begin ?
270
+ #
271
+ _struct_ref_seq.align_id 1
272
+ _struct_ref_seq.ref_id 1
273
+ _struct_ref_seq.pdbx_PDB_id_code 1HS8
274
+ _struct_ref_seq.pdbx_strand_id A
275
+ _struct_ref_seq.seq_align_beg 1
276
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
277
+ _struct_ref_seq.seq_align_end 13
278
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
279
+ _struct_ref_seq.pdbx_db_accession 1HS8
280
+ _struct_ref_seq.db_align_beg 1
281
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
282
+ _struct_ref_seq.db_align_end 13
283
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
284
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
285
+ _struct_ref_seq.pdbx_auth_seq_align_end 13
286
+ #
287
+ _pdbx_struct_assembly.id 1
288
+ _pdbx_struct_assembly.details author_defined_assembly
289
+ _pdbx_struct_assembly.method_details ?
290
+ _pdbx_struct_assembly.oligomeric_details monomeric
291
+ _pdbx_struct_assembly.oligomeric_count 1
292
+ #
293
+ _pdbx_struct_assembly_gen.assembly_id 1
294
+ _pdbx_struct_assembly_gen.oper_expression 1
295
+ _pdbx_struct_assembly_gen.asym_id_list A
296
+ #
297
+ _pdbx_struct_oper_list.id 1
298
+ _pdbx_struct_oper_list.type 'identity operation'
299
+ _pdbx_struct_oper_list.name 1_555
300
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
301
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
302
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
303
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
304
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
305
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
306
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
307
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
308
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
309
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
310
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
311
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
312
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
313
+ #
314
+ _struct_biol.id 1
315
+ #
316
+ loop_
317
+ _struct_conn.id
318
+ _struct_conn.conn_type_id
319
+ _struct_conn.pdbx_leaving_atom_flag
320
+ _struct_conn.pdbx_PDB_id
321
+ _struct_conn.ptnr1_label_asym_id
322
+ _struct_conn.ptnr1_label_comp_id
323
+ _struct_conn.ptnr1_label_seq_id
324
+ _struct_conn.ptnr1_label_atom_id
325
+ _struct_conn.pdbx_ptnr1_label_alt_id
326
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
327
+ _struct_conn.pdbx_ptnr1_standard_comp_id
328
+ _struct_conn.ptnr1_symmetry
329
+ _struct_conn.ptnr2_label_asym_id
330
+ _struct_conn.ptnr2_label_comp_id
331
+ _struct_conn.ptnr2_label_seq_id
332
+ _struct_conn.ptnr2_label_atom_id
333
+ _struct_conn.pdbx_ptnr2_label_alt_id
334
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
335
+ _struct_conn.ptnr1_auth_asym_id
336
+ _struct_conn.ptnr1_auth_comp_id
337
+ _struct_conn.ptnr1_auth_seq_id
338
+ _struct_conn.ptnr2_auth_asym_id
339
+ _struct_conn.ptnr2_auth_comp_id
340
+ _struct_conn.ptnr2_auth_seq_id
341
+ _struct_conn.ptnr2_symmetry
342
+ _struct_conn.pdbx_ptnr3_label_atom_id
343
+ _struct_conn.pdbx_ptnr3_label_seq_id
344
+ _struct_conn.pdbx_ptnr3_label_comp_id
345
+ _struct_conn.pdbx_ptnr3_label_asym_id
346
+ _struct_conn.pdbx_ptnr3_label_alt_id
347
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
348
+ _struct_conn.details
349
+ _struct_conn.pdbx_dist_value
350
+ _struct_conn.pdbx_value_order
351
+ _struct_conn.pdbx_role
352
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 1 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
353
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 1 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
354
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 1 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
355
+ hydrog4 hydrog ? ? A C 2 N3 ? ? ? 1_555 A G 11 N1 ? ? A C 2 A G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
356
+ hydrog5 hydrog ? ? A C 2 N4 ? ? ? 1_555 A G 11 O6 ? ? A C 2 A G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
357
+ hydrog6 hydrog ? ? A C 2 O2 ? ? ? 1_555 A G 11 N2 ? ? A C 2 A G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
358
+ hydrog7 hydrog ? ? A G 3 N1 ? ? ? 1_555 A C 10 N3 ? ? A G 3 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
359
+ hydrog8 hydrog ? ? A G 3 N2 ? ? ? 1_555 A C 10 O2 ? ? A G 3 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
360
+ hydrog9 hydrog ? ? A G 3 O6 ? ? ? 1_555 A C 10 N4 ? ? A G 3 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
361
+ hydrog10 hydrog ? ? A U 4 N3 ? ? ? 1_555 A U 9 O4 ? ? A U 4 A U 9 1_555 ? ? ? ? ? ? TYPE_16_PAIR ? ? ?
362
+ hydrog11 hydrog ? ? A U 4 O2 ? ? ? 1_555 A U 9 N3 ? ? A U 4 A U 9 1_555 ? ? ? ? ? ? TYPE_16_PAIR ? ? ?
363
+ #
364
+ _struct_conn_type.id hydrog
365
+ _struct_conn_type.criteria ?
366
+ _struct_conn_type.reference ?
367
+ #
368
+ loop_
369
+ _pdbx_validate_rmsd_angle.id
370
+ _pdbx_validate_rmsd_angle.PDB_model_num
371
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
372
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
373
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
374
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
375
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
376
+ _pdbx_validate_rmsd_angle.label_alt_id_1
377
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
378
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
379
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
380
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
381
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
382
+ _pdbx_validate_rmsd_angle.label_alt_id_2
383
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
384
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
385
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
386
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
387
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
388
+ _pdbx_validate_rmsd_angle.label_alt_id_3
389
+ _pdbx_validate_rmsd_angle.angle_value
390
+ _pdbx_validate_rmsd_angle.angle_target_value
391
+ _pdbx_validate_rmsd_angle.angle_deviation
392
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
393
+ _pdbx_validate_rmsd_angle.linker_flag
394
+ 1 1 "O4'" A U 4 ? ? "C1'" A U 4 ? ? N1 A U 4 ? ? 113.43 108.50 4.93 0.70 N
395
+ 2 1 "O4'" A C 10 ? ? "C1'" A C 10 ? ? N1 A C 10 ? ? 112.72 108.50 4.22 0.70 N
396
+ 3 1 "O4'" A C 12 ? ? "C1'" A C 12 ? ? N1 A C 12 ? ? 112.73 108.50 4.23 0.70 N
397
+ #
398
+ _pdbx_validate_planes.id 1
399
+ _pdbx_validate_planes.PDB_model_num 1
400
+ _pdbx_validate_planes.auth_comp_id U
401
+ _pdbx_validate_planes.auth_asym_id A
402
+ _pdbx_validate_planes.auth_seq_id 8
403
+ _pdbx_validate_planes.PDB_ins_code ?
404
+ _pdbx_validate_planes.label_alt_id ?
405
+ _pdbx_validate_planes.rmsd 0.058
406
+ _pdbx_validate_planes.type 'SIDE CHAIN'
407
+ #
408
+ _pdbx_nmr_ensemble.entry_id 1HS8
409
+ _pdbx_nmr_ensemble.conformers_calculated_total_number 30
410
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
411
+ _pdbx_nmr_ensemble.conformer_selection_criteria 'average structure of 30 conformers'
412
+ _pdbx_nmr_ensemble.average_constraints_per_residue ?
413
+ _pdbx_nmr_ensemble.average_constraint_violations_per_residue ?
414
+ _pdbx_nmr_ensemble.maximum_distance_constraint_violation ?
415
+ _pdbx_nmr_ensemble.average_distance_constraint_violation ?
416
+ _pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ?
417
+ _pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ?
418
+ _pdbx_nmr_ensemble.distance_constraint_violation_method ?
419
+ _pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ?
420
+ _pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ?
421
+ _pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ?
422
+ #
423
+ _pdbx_nmr_sample_details.solution_id 1
424
+ _pdbx_nmr_sample_details.contents
425
+ ;1 mM RNA oligomer - H2O;
426
+ 1 mM RNA oligomer - D2O
427
+ ;
428
+ _pdbx_nmr_sample_details.solvent_system ?
429
+ #
430
+ _pdbx_nmr_exptl_sample_conditions.conditions_id 1
431
+ _pdbx_nmr_exptl_sample_conditions.temperature 293
432
+ _pdbx_nmr_exptl_sample_conditions.pressure '1.0 atm'
433
+ _pdbx_nmr_exptl_sample_conditions.pH 6.0
434
+ _pdbx_nmr_exptl_sample_conditions.ionic_strength '0.05 M NaCl, 0.005 M sodium phosphate'
435
+ _pdbx_nmr_exptl_sample_conditions.pressure_units ?
436
+ _pdbx_nmr_exptl_sample_conditions.temperature_units K
437
+ #
438
+ _pdbx_nmr_exptl.experiment_id 1
439
+ _pdbx_nmr_exptl.solution_id 1
440
+ _pdbx_nmr_exptl.conditions_id 1
441
+ _pdbx_nmr_exptl.type '2D NOESY'
442
+ #
443
+ _pdbx_nmr_refine.entry_id 1HS8
444
+ _pdbx_nmr_refine.method 'restrained molecular dynamics & energy minimization'
445
+ _pdbx_nmr_refine.details ?
446
+ _pdbx_nmr_refine.software_ordinal 1
447
+ #
448
+ loop_
449
+ _pdbx_nmr_software.name
450
+ _pdbx_nmr_software.version
451
+ _pdbx_nmr_software.classification
452
+ _pdbx_nmr_software.authors
453
+ _pdbx_nmr_software.ordinal
454
+ Discover 'version 2.98' 'structure solution' MSI 1
455
+ Discover 'version 2.98' refinement MSI 2
456
+ #
457
+ loop_
458
+ _chem_comp_atom.comp_id
459
+ _chem_comp_atom.atom_id
460
+ _chem_comp_atom.type_symbol
461
+ _chem_comp_atom.pdbx_aromatic_flag
462
+ _chem_comp_atom.pdbx_stereo_config
463
+ _chem_comp_atom.pdbx_ordinal
464
+ A OP3 O N N 1
465
+ A P P N N 2
466
+ A OP1 O N N 3
467
+ A OP2 O N N 4
468
+ A "O5'" O N N 5
469
+ A "C5'" C N N 6
470
+ A "C4'" C N R 7
471
+ A "O4'" O N N 8
472
+ A "C3'" C N S 9
473
+ A "O3'" O N N 10
474
+ A "C2'" C N R 11
475
+ A "O2'" O N N 12
476
+ A "C1'" C N R 13
477
+ A N9 N Y N 14
478
+ A C8 C Y N 15
479
+ A N7 N Y N 16
480
+ A C5 C Y N 17
481
+ A C6 C Y N 18
482
+ A N6 N N N 19
483
+ A N1 N Y N 20
484
+ A C2 C Y N 21
485
+ A N3 N Y N 22
486
+ A C4 C Y N 23
487
+ A HOP3 H N N 24
488
+ A HOP2 H N N 25
489
+ A "H5'" H N N 26
490
+ A "H5''" H N N 27
491
+ A "H4'" H N N 28
492
+ A "H3'" H N N 29
493
+ A "HO3'" H N N 30
494
+ A "H2'" H N N 31
495
+ A "HO2'" H N N 32
496
+ A "H1'" H N N 33
497
+ A H8 H N N 34
498
+ A H61 H N N 35
499
+ A H62 H N N 36
500
+ A H2 H N N 37
501
+ C OP3 O N N 38
502
+ C P P N N 39
503
+ C OP1 O N N 40
504
+ C OP2 O N N 41
505
+ C "O5'" O N N 42
506
+ C "C5'" C N N 43
507
+ C "C4'" C N R 44
508
+ C "O4'" O N N 45
509
+ C "C3'" C N S 46
510
+ C "O3'" O N N 47
511
+ C "C2'" C N R 48
512
+ C "O2'" O N N 49
513
+ C "C1'" C N R 50
514
+ C N1 N N N 51
515
+ C C2 C N N 52
516
+ C O2 O N N 53
517
+ C N3 N N N 54
518
+ C C4 C N N 55
519
+ C N4 N N N 56
520
+ C C5 C N N 57
521
+ C C6 C N N 58
522
+ C HOP3 H N N 59
523
+ C HOP2 H N N 60
524
+ C "H5'" H N N 61
525
+ C "H5''" H N N 62
526
+ C "H4'" H N N 63
527
+ C "H3'" H N N 64
528
+ C "HO3'" H N N 65
529
+ C "H2'" H N N 66
530
+ C "HO2'" H N N 67
531
+ C "H1'" H N N 68
532
+ C H41 H N N 69
533
+ C H42 H N N 70
534
+ C H5 H N N 71
535
+ C H6 H N N 72
536
+ G OP3 O N N 73
537
+ G P P N N 74
538
+ G OP1 O N N 75
539
+ G OP2 O N N 76
540
+ G "O5'" O N N 77
541
+ G "C5'" C N N 78
542
+ G "C4'" C N R 79
543
+ G "O4'" O N N 80
544
+ G "C3'" C N S 81
545
+ G "O3'" O N N 82
546
+ G "C2'" C N R 83
547
+ G "O2'" O N N 84
548
+ G "C1'" C N R 85
549
+ G N9 N Y N 86
550
+ G C8 C Y N 87
551
+ G N7 N Y N 88
552
+ G C5 C Y N 89
553
+ G C6 C N N 90
554
+ G O6 O N N 91
555
+ G N1 N N N 92
556
+ G C2 C N N 93
557
+ G N2 N N N 94
558
+ G N3 N N N 95
559
+ G C4 C Y N 96
560
+ G HOP3 H N N 97
561
+ G HOP2 H N N 98
562
+ G "H5'" H N N 99
563
+ G "H5''" H N N 100
564
+ G "H4'" H N N 101
565
+ G "H3'" H N N 102
566
+ G "HO3'" H N N 103
567
+ G "H2'" H N N 104
568
+ G "HO2'" H N N 105
569
+ G "H1'" H N N 106
570
+ G H8 H N N 107
571
+ G H1 H N N 108
572
+ G H21 H N N 109
573
+ G H22 H N N 110
574
+ U OP3 O N N 111
575
+ U P P N N 112
576
+ U OP1 O N N 113
577
+ U OP2 O N N 114
578
+ U "O5'" O N N 115
579
+ U "C5'" C N N 116
580
+ U "C4'" C N R 117
581
+ U "O4'" O N N 118
582
+ U "C3'" C N S 119
583
+ U "O3'" O N N 120
584
+ U "C2'" C N R 121
585
+ U "O2'" O N N 122
586
+ U "C1'" C N R 123
587
+ U N1 N N N 124
588
+ U C2 C N N 125
589
+ U O2 O N N 126
590
+ U N3 N N N 127
591
+ U C4 C N N 128
592
+ U O4 O N N 129
593
+ U C5 C N N 130
594
+ U C6 C N N 131
595
+ U HOP3 H N N 132
596
+ U HOP2 H N N 133
597
+ U "H5'" H N N 134
598
+ U "H5''" H N N 135
599
+ U "H4'" H N N 136
600
+ U "H3'" H N N 137
601
+ U "HO3'" H N N 138
602
+ U "H2'" H N N 139
603
+ U "HO2'" H N N 140
604
+ U "H1'" H N N 141
605
+ U H3 H N N 142
606
+ U H5 H N N 143
607
+ U H6 H N N 144
608
+ #
609
+ loop_
610
+ _chem_comp_bond.comp_id
611
+ _chem_comp_bond.atom_id_1
612
+ _chem_comp_bond.atom_id_2
613
+ _chem_comp_bond.value_order
614
+ _chem_comp_bond.pdbx_aromatic_flag
615
+ _chem_comp_bond.pdbx_stereo_config
616
+ _chem_comp_bond.pdbx_ordinal
617
+ A OP3 P sing N N 1
618
+ A OP3 HOP3 sing N N 2
619
+ A P OP1 doub N N 3
620
+ A P OP2 sing N N 4
621
+ A P "O5'" sing N N 5
622
+ A OP2 HOP2 sing N N 6
623
+ A "O5'" "C5'" sing N N 7
624
+ A "C5'" "C4'" sing N N 8
625
+ A "C5'" "H5'" sing N N 9
626
+ A "C5'" "H5''" sing N N 10
627
+ A "C4'" "O4'" sing N N 11
628
+ A "C4'" "C3'" sing N N 12
629
+ A "C4'" "H4'" sing N N 13
630
+ A "O4'" "C1'" sing N N 14
631
+ A "C3'" "O3'" sing N N 15
632
+ A "C3'" "C2'" sing N N 16
633
+ A "C3'" "H3'" sing N N 17
634
+ A "O3'" "HO3'" sing N N 18
635
+ A "C2'" "O2'" sing N N 19
636
+ A "C2'" "C1'" sing N N 20
637
+ A "C2'" "H2'" sing N N 21
638
+ A "O2'" "HO2'" sing N N 22
639
+ A "C1'" N9 sing N N 23
640
+ A "C1'" "H1'" sing N N 24
641
+ A N9 C8 sing Y N 25
642
+ A N9 C4 sing Y N 26
643
+ A C8 N7 doub Y N 27
644
+ A C8 H8 sing N N 28
645
+ A N7 C5 sing Y N 29
646
+ A C5 C6 sing Y N 30
647
+ A C5 C4 doub Y N 31
648
+ A C6 N6 sing N N 32
649
+ A C6 N1 doub Y N 33
650
+ A N6 H61 sing N N 34
651
+ A N6 H62 sing N N 35
652
+ A N1 C2 sing Y N 36
653
+ A C2 N3 doub Y N 37
654
+ A C2 H2 sing N N 38
655
+ A N3 C4 sing Y N 39
656
+ C OP3 P sing N N 40
657
+ C OP3 HOP3 sing N N 41
658
+ C P OP1 doub N N 42
659
+ C P OP2 sing N N 43
660
+ C P "O5'" sing N N 44
661
+ C OP2 HOP2 sing N N 45
662
+ C "O5'" "C5'" sing N N 46
663
+ C "C5'" "C4'" sing N N 47
664
+ C "C5'" "H5'" sing N N 48
665
+ C "C5'" "H5''" sing N N 49
666
+ C "C4'" "O4'" sing N N 50
667
+ C "C4'" "C3'" sing N N 51
668
+ C "C4'" "H4'" sing N N 52
669
+ C "O4'" "C1'" sing N N 53
670
+ C "C3'" "O3'" sing N N 54
671
+ C "C3'" "C2'" sing N N 55
672
+ C "C3'" "H3'" sing N N 56
673
+ C "O3'" "HO3'" sing N N 57
674
+ C "C2'" "O2'" sing N N 58
675
+ C "C2'" "C1'" sing N N 59
676
+ C "C2'" "H2'" sing N N 60
677
+ C "O2'" "HO2'" sing N N 61
678
+ C "C1'" N1 sing N N 62
679
+ C "C1'" "H1'" sing N N 63
680
+ C N1 C2 sing N N 64
681
+ C N1 C6 sing N N 65
682
+ C C2 O2 doub N N 66
683
+ C C2 N3 sing N N 67
684
+ C N3 C4 doub N N 68
685
+ C C4 N4 sing N N 69
686
+ C C4 C5 sing N N 70
687
+ C N4 H41 sing N N 71
688
+ C N4 H42 sing N N 72
689
+ C C5 C6 doub N N 73
690
+ C C5 H5 sing N N 74
691
+ C C6 H6 sing N N 75
692
+ G OP3 P sing N N 76
693
+ G OP3 HOP3 sing N N 77
694
+ G P OP1 doub N N 78
695
+ G P OP2 sing N N 79
696
+ G P "O5'" sing N N 80
697
+ G OP2 HOP2 sing N N 81
698
+ G "O5'" "C5'" sing N N 82
699
+ G "C5'" "C4'" sing N N 83
700
+ G "C5'" "H5'" sing N N 84
701
+ G "C5'" "H5''" sing N N 85
702
+ G "C4'" "O4'" sing N N 86
703
+ G "C4'" "C3'" sing N N 87
704
+ G "C4'" "H4'" sing N N 88
705
+ G "O4'" "C1'" sing N N 89
706
+ G "C3'" "O3'" sing N N 90
707
+ G "C3'" "C2'" sing N N 91
708
+ G "C3'" "H3'" sing N N 92
709
+ G "O3'" "HO3'" sing N N 93
710
+ G "C2'" "O2'" sing N N 94
711
+ G "C2'" "C1'" sing N N 95
712
+ G "C2'" "H2'" sing N N 96
713
+ G "O2'" "HO2'" sing N N 97
714
+ G "C1'" N9 sing N N 98
715
+ G "C1'" "H1'" sing N N 99
716
+ G N9 C8 sing Y N 100
717
+ G N9 C4 sing Y N 101
718
+ G C8 N7 doub Y N 102
719
+ G C8 H8 sing N N 103
720
+ G N7 C5 sing Y N 104
721
+ G C5 C6 sing N N 105
722
+ G C5 C4 doub Y N 106
723
+ G C6 O6 doub N N 107
724
+ G C6 N1 sing N N 108
725
+ G N1 C2 sing N N 109
726
+ G N1 H1 sing N N 110
727
+ G C2 N2 sing N N 111
728
+ G C2 N3 doub N N 112
729
+ G N2 H21 sing N N 113
730
+ G N2 H22 sing N N 114
731
+ G N3 C4 sing N N 115
732
+ U OP3 P sing N N 116
733
+ U OP3 HOP3 sing N N 117
734
+ U P OP1 doub N N 118
735
+ U P OP2 sing N N 119
736
+ U P "O5'" sing N N 120
737
+ U OP2 HOP2 sing N N 121
738
+ U "O5'" "C5'" sing N N 122
739
+ U "C5'" "C4'" sing N N 123
740
+ U "C5'" "H5'" sing N N 124
741
+ U "C5'" "H5''" sing N N 125
742
+ U "C4'" "O4'" sing N N 126
743
+ U "C4'" "C3'" sing N N 127
744
+ U "C4'" "H4'" sing N N 128
745
+ U "O4'" "C1'" sing N N 129
746
+ U "C3'" "O3'" sing N N 130
747
+ U "C3'" "C2'" sing N N 131
748
+ U "C3'" "H3'" sing N N 132
749
+ U "O3'" "HO3'" sing N N 133
750
+ U "C2'" "O2'" sing N N 134
751
+ U "C2'" "C1'" sing N N 135
752
+ U "C2'" "H2'" sing N N 136
753
+ U "O2'" "HO2'" sing N N 137
754
+ U "C1'" N1 sing N N 138
755
+ U "C1'" "H1'" sing N N 139
756
+ U N1 C2 sing N N 140
757
+ U N1 C6 sing N N 141
758
+ U C2 O2 doub N N 142
759
+ U C2 N3 sing N N 143
760
+ U N3 C4 sing N N 144
761
+ U N3 H3 sing N N 145
762
+ U C4 O4 doub N N 146
763
+ U C4 C5 sing N N 147
764
+ U C5 C6 doub N N 148
765
+ U C5 H5 sing N N 149
766
+ U C6 H6 sing N N 150
767
+ #
768
+ loop_
769
+ _ndb_struct_conf_na.entry_id
770
+ _ndb_struct_conf_na.feature
771
+ 1HS8 'a-form double helix'
772
+ 1HS8 'hairpin loop'
773
+ 1HS8 'mismatched base pair'
774
+ #
775
+ loop_
776
+ _ndb_struct_na_base_pair.model_number
777
+ _ndb_struct_na_base_pair.i_label_asym_id
778
+ _ndb_struct_na_base_pair.i_label_comp_id
779
+ _ndb_struct_na_base_pair.i_label_seq_id
780
+ _ndb_struct_na_base_pair.i_symmetry
781
+ _ndb_struct_na_base_pair.j_label_asym_id
782
+ _ndb_struct_na_base_pair.j_label_comp_id
783
+ _ndb_struct_na_base_pair.j_label_seq_id
784
+ _ndb_struct_na_base_pair.j_symmetry
785
+ _ndb_struct_na_base_pair.shear
786
+ _ndb_struct_na_base_pair.stretch
787
+ _ndb_struct_na_base_pair.stagger
788
+ _ndb_struct_na_base_pair.buckle
789
+ _ndb_struct_na_base_pair.propeller
790
+ _ndb_struct_na_base_pair.opening
791
+ _ndb_struct_na_base_pair.pair_number
792
+ _ndb_struct_na_base_pair.pair_name
793
+ _ndb_struct_na_base_pair.i_auth_asym_id
794
+ _ndb_struct_na_base_pair.i_auth_seq_id
795
+ _ndb_struct_na_base_pair.i_PDB_ins_code
796
+ _ndb_struct_na_base_pair.j_auth_asym_id
797
+ _ndb_struct_na_base_pair.j_auth_seq_id
798
+ _ndb_struct_na_base_pair.j_PDB_ins_code
799
+ _ndb_struct_na_base_pair.hbond_type_28
800
+ _ndb_struct_na_base_pair.hbond_type_12
801
+ 1 A G 1 1_555 A C 12 1_555 -0.780 -0.276 0.010 -3.611 -15.759 -0.947 1 A_G1:C12_A A 1 ? A 12 ? 19 1
802
+ 1 A C 2 1_555 A G 11 1_555 -0.169 -0.070 -0.062 3.489 -16.601 -1.029 2 A_C2:G11_A A 2 ? A 11 ? 19 1
803
+ 1 A G 3 1_555 A C 10 1_555 0.150 -0.085 -0.389 -9.092 -20.931 1.658 3 A_G3:C10_A A 3 ? A 10 ? 19 1
804
+ 1 A U 4 1_555 A U 9 1_555 2.253 -1.775 0.447 -0.925 -17.192 11.337 4 A_U4:U9_A A 4 ? A 9 ? 16 1
805
+ #
806
+ loop_
807
+ _ndb_struct_na_base_pair_step.model_number
808
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
809
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
810
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
811
+ _ndb_struct_na_base_pair_step.i_symmetry_1
812
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
813
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
814
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
815
+ _ndb_struct_na_base_pair_step.j_symmetry_1
816
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
817
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
818
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
819
+ _ndb_struct_na_base_pair_step.i_symmetry_2
820
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
821
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
822
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
823
+ _ndb_struct_na_base_pair_step.j_symmetry_2
824
+ _ndb_struct_na_base_pair_step.shift
825
+ _ndb_struct_na_base_pair_step.slide
826
+ _ndb_struct_na_base_pair_step.rise
827
+ _ndb_struct_na_base_pair_step.tilt
828
+ _ndb_struct_na_base_pair_step.roll
829
+ _ndb_struct_na_base_pair_step.twist
830
+ _ndb_struct_na_base_pair_step.x_displacement
831
+ _ndb_struct_na_base_pair_step.y_displacement
832
+ _ndb_struct_na_base_pair_step.helical_rise
833
+ _ndb_struct_na_base_pair_step.inclination
834
+ _ndb_struct_na_base_pair_step.tip
835
+ _ndb_struct_na_base_pair_step.helical_twist
836
+ _ndb_struct_na_base_pair_step.step_number
837
+ _ndb_struct_na_base_pair_step.step_name
838
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
839
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
840
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
841
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
842
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
843
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
844
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
845
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
846
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
847
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
848
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
849
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
850
+ 1 A G 1 1_555 A C 12 1_555 A C 2 1_555 A G 11 1_555 -0.048 -1.904 2.914 0.622 0.789 33.583 -3.409 0.174 2.868 1.365 -1.077
851
+ 33.598 1 AA_G1C2:G11C12_AA A 1 ? A 12 ? A 2 ? A 11 ?
852
+ 1 A C 2 1_555 A G 11 1_555 A G 3 1_555 A C 10 1_555 0.221 -1.839 3.403 2.111 19.022 29.783 -5.542 -0.087 1.930 33.062 -3.670
853
+ 35.285 2 AA_C2G3:C10G11_AA A 2 ? A 11 ? A 3 ? A 10 ?
854
+ 1 A G 3 1_555 A C 10 1_555 A U 4 1_555 A U 9 1_555 0.601 -1.411 2.924 -5.465 2.971 37.686 -2.482 -1.516 2.699 4.561 8.390
855
+ 38.178 3 AA_G3U4:U9C10_AA A 3 ? A 10 ? A 4 ? A 9 ?
856
+ #
857
+ _pdbx_nmr_spectrometer.spectrometer_id 1
858
+ _pdbx_nmr_spectrometer.type ?
859
+ _pdbx_nmr_spectrometer.manufacturer Varian
860
+ _pdbx_nmr_spectrometer.model INOVA
861
+ _pdbx_nmr_spectrometer.field_strength 500
862
+ #
863
+ _atom_sites.entry_id 1HS8
864
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
865
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
866
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
867
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
868
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
869
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
870
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
871
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
872
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
873
+ _atom_sites.fract_transf_vector[1] 0.00000
874
+ _atom_sites.fract_transf_vector[2] 0.00000
875
+ _atom_sites.fract_transf_vector[3] 0.00000
876
+ #
877
+ loop_
878
+ _atom_type.symbol
879
+ C
880
+ H
881
+ N
882
+ O
883
+ P
884
+ #
885
+ loop_
886
+ _atom_site.group_PDB
887
+ _atom_site.id
888
+ _atom_site.type_symbol
889
+ _atom_site.label_atom_id
890
+ _atom_site.label_alt_id
891
+ _atom_site.label_comp_id
892
+ _atom_site.label_asym_id
893
+ _atom_site.label_entity_id
894
+ _atom_site.label_seq_id
895
+ _atom_site.pdbx_PDB_ins_code
896
+ _atom_site.Cartn_x
897
+ _atom_site.Cartn_y
898
+ _atom_site.Cartn_z
899
+ _atom_site.occupancy
900
+ _atom_site.B_iso_or_equiv
901
+ _atom_site.pdbx_formal_charge
902
+ _atom_site.auth_seq_id
903
+ _atom_site.auth_comp_id
904
+ _atom_site.auth_asym_id
905
+ _atom_site.auth_atom_id
906
+ _atom_site.pdbx_PDB_model_num
907
+ ATOM 1 O "O5'" . G A 1 1 ? 13.863 17.172 2.627 1.00 0.00 ? 1 G A "O5'" 1
908
+ ATOM 2 C "C5'" . G A 1 1 ? 13.978 17.667 3.942 1.00 0.00 ? 1 G A "C5'" 1
909
+ ATOM 3 C "C4'" . G A 1 1 ? 12.956 17.013 4.886 1.00 0.00 ? 1 G A "C4'" 1
910
+ ATOM 4 O "O4'" . G A 1 1 ? 13.412 15.780 5.426 1.00 0.00 ? 1 G A "O4'" 1
911
+ ATOM 5 C "C3'" . G A 1 1 ? 12.717 17.934 6.076 1.00 0.00 ? 1 G A "C3'" 1
912
+ ATOM 6 O "O3'" . G A 1 1 ? 11.771 18.940 5.741 1.00 0.00 ? 1 G A "O3'" 1
913
+ ATOM 7 C "C2'" . G A 1 1 ? 12.264 16.954 7.152 1.00 0.00 ? 1 G A "C2'" 1
914
+ ATOM 8 O "O2'" . G A 1 1 ? 10.914 16.565 7.008 1.00 0.00 ? 1 G A "O2'" 1
915
+ ATOM 9 C "C1'" . G A 1 1 ? 13.157 15.752 6.827 1.00 0.00 ? 1 G A "C1'" 1
916
+ ATOM 10 N N9 . G A 1 1 ? 14.415 15.839 7.606 1.00 0.00 ? 1 G A N9 1
917
+ ATOM 11 C C8 . G A 1 1 ? 15.702 16.089 7.193 1.00 0.00 ? 1 G A C8 1
918
+ ATOM 12 N N7 . G A 1 1 ? 16.585 16.067 8.151 1.00 0.00 ? 1 G A N7 1
919
+ ATOM 13 C C5 . G A 1 1 ? 15.836 15.792 9.289 1.00 0.00 ? 1 G A C5 1
920
+ ATOM 14 C C6 . G A 1 1 ? 16.243 15.630 10.653 1.00 0.00 ? 1 G A C6 1
921
+ ATOM 15 O O6 . G A 1 1 ? 17.382 15.695 11.105 1.00 0.00 ? 1 G A O6 1
922
+ ATOM 16 N N1 . G A 1 1 ? 15.168 15.374 11.516 1.00 0.00 ? 1 G A N1 1
923
+ ATOM 17 C C2 . G A 1 1 ? 13.840 15.291 11.107 1.00 0.00 ? 1 G A C2 1
924
+ ATOM 18 N N2 . G A 1 1 ? 12.915 15.049 12.044 1.00 0.00 ? 1 G A N2 1
925
+ ATOM 19 N N3 . G A 1 1 ? 13.464 15.433 9.821 1.00 0.00 ? 1 G A N3 1
926
+ ATOM 20 C C4 . G A 1 1 ? 14.502 15.677 8.965 1.00 0.00 ? 1 G A C4 1
927
+ ATOM 21 H "H5'" . G A 1 1 ? 13.799 18.742 3.904 1.00 0.00 ? 1 G A "H5'" 1
928
+ ATOM 22 H "H5''" . G A 1 1 ? 14.991 17.503 4.311 1.00 0.00 ? 1 G A "H5''" 1
929
+ ATOM 23 H "H4'" . G A 1 1 ? 12.008 16.833 4.374 1.00 0.00 ? 1 G A "H4'" 1
930
+ ATOM 24 H "H3'" . G A 1 1 ? 13.677 18.360 6.379 1.00 0.00 ? 1 G A "H3'" 1
931
+ ATOM 25 H "H2'" . G A 1 1 ? 12.429 17.363 8.147 1.00 0.00 ? 1 G A "H2'" 1
932
+ ATOM 26 H "HO2'" . G A 1 1 ? 10.370 17.353 6.998 1.00 0.00 ? 1 G A "HO2'" 1
933
+ ATOM 27 H "H1'" . G A 1 1 ? 12.662 14.815 7.095 1.00 0.00 ? 1 G A "H1'" 1
934
+ ATOM 28 H H8 . G A 1 1 ? 15.967 16.280 6.164 1.00 0.00 ? 1 G A H8 1
935
+ ATOM 29 H H1 . G A 1 1 ? 15.380 15.260 12.494 1.00 0.00 ? 1 G A H1 1
936
+ ATOM 30 H H21 . G A 1 1 ? 13.187 14.920 13.007 1.00 0.00 ? 1 G A H21 1
937
+ ATOM 31 H H22 . G A 1 1 ? 11.939 15.006 11.787 1.00 0.00 ? 1 G A H22 1
938
+ ATOM 32 H "HO5'" . G A 1 1 ? 14.159 16.260 2.612 1.00 0.00 ? 1 G A "HO5'" 1
939
+ ATOM 33 P P . C A 1 2 ? 11.796 20.397 6.429 1.00 0.00 ? 2 C A P 1
940
+ ATOM 34 O OP1 . C A 1 2 ? 10.681 21.200 5.880 1.00 0.00 ? 2 C A OP1 1
941
+ ATOM 35 O OP2 . C A 1 2 ? 13.180 20.920 6.366 1.00 0.00 ? 2 C A OP2 1
942
+ ATOM 36 O "O5'" . C A 1 2 ? 11.465 20.029 7.958 1.00 0.00 ? 2 C A "O5'" 1
943
+ ATOM 37 C "C5'" . C A 1 2 ? 10.166 19.665 8.389 1.00 0.00 ? 2 C A "C5'" 1
944
+ ATOM 38 C "C4'" . C A 1 2 ? 10.219 19.265 9.866 1.00 0.00 ? 2 C A "C4'" 1
945
+ ATOM 39 O "O4'" . C A 1 2 ? 11.134 18.221 10.143 1.00 0.00 ? 2 C A "O4'" 1
946
+ ATOM 40 C "C3'" . C A 1 2 ? 10.687 20.442 10.706 1.00 0.00 ? 2 C A "C3'" 1
947
+ ATOM 41 O "O3'" . C A 1 2 ? 9.637 21.390 10.807 1.00 0.00 ? 2 C A "O3'" 1
948
+ ATOM 42 C "C2'" . C A 1 2 ? 11.085 19.734 11.997 1.00 0.00 ? 2 C A "C2'" 1
949
+ ATOM 43 O "O2'" . C A 1 2 ? 9.958 19.487 12.814 1.00 0.00 ? 2 C A "O2'" 1
950
+ ATOM 44 C "C1'" . C A 1 2 ? 11.669 18.419 11.448 1.00 0.00 ? 2 C A "C1'" 1
951
+ ATOM 45 N N1 . C A 1 2 ? 13.165 18.483 11.442 1.00 0.00 ? 2 C A N1 1
952
+ ATOM 46 C C2 . C A 1 2 ? 13.830 18.190 12.643 1.00 0.00 ? 2 C A C2 1
953
+ ATOM 47 O O2 . C A 1 2 ? 13.202 17.869 13.650 1.00 0.00 ? 2 C A O2 1
954
+ ATOM 48 N N3 . C A 1 2 ? 15.195 18.267 12.668 1.00 0.00 ? 2 C A N3 1
955
+ ATOM 49 C C4 . C A 1 2 ? 15.905 18.629 11.582 1.00 0.00 ? 2 C A C4 1
956
+ ATOM 50 N N4 . C A 1 2 ? 17.240 18.676 11.670 1.00 0.00 ? 2 C A N4 1
957
+ ATOM 51 C C5 . C A 1 2 ? 15.246 18.957 10.343 1.00 0.00 ? 2 C A C5 1
958
+ ATOM 52 C C6 . C A 1 2 ? 13.889 18.875 10.326 1.00 0.00 ? 2 C A C6 1
959
+ ATOM 53 H "H5'" . C A 1 2 ? 9.753 18.846 7.809 1.00 0.00 ? 2 C A "H5'" 1
960
+ ATOM 54 H "H5''" . C A 1 2 ? 9.500 20.522 8.278 1.00 0.00 ? 2 C A "H5''" 1
961
+ ATOM 55 H "H4'" . C A 1 2 ? 9.229 18.941 10.194 1.00 0.00 ? 2 C A "H4'" 1
962
+ ATOM 56 H "H3'" . C A 1 2 ? 11.584 20.883 10.264 1.00 0.00 ? 2 C A "H3'" 1
963
+ ATOM 57 H "H2'" . C A 1 2 ? 11.813 20.315 12.563 1.00 0.00 ? 2 C A "H2'" 1
964
+ ATOM 58 H "HO2'" . C A 1 2 ? 9.585 20.335 13.069 1.00 0.00 ? 2 C A "HO2'" 1
965
+ ATOM 59 H "H1'" . C A 1 2 ? 11.336 17.573 12.054 1.00 0.00 ? 2 C A "H1'" 1
966
+ ATOM 60 H H41 . C A 1 2 ? 17.685 18.451 12.546 1.00 0.00 ? 2 C A H41 1
967
+ ATOM 61 H H42 . C A 1 2 ? 17.802 18.910 10.864 1.00 0.00 ? 2 C A H42 1
968
+ ATOM 62 H H5 . C A 1 2 ? 15.777 19.254 9.449 1.00 0.00 ? 2 C A H5 1
969
+ ATOM 63 H H6 . C A 1 2 ? 13.381 19.131 9.412 1.00 0.00 ? 2 C A H6 1
970
+ ATOM 64 P P . G A 1 3 ? 9.894 22.883 11.335 1.00 0.00 ? 3 G A P 1
971
+ ATOM 65 O OP1 . G A 1 3 ? 8.608 23.612 11.350 1.00 0.00 ? 3 G A OP1 1
972
+ ATOM 66 O OP2 . G A 1 3 ? 11.057 23.441 10.607 1.00 0.00 ? 3 G A OP2 1
973
+ ATOM 67 O "O5'" . G A 1 3 ? 10.315 22.572 12.853 1.00 0.00 ? 3 G A "O5'" 1
974
+ ATOM 68 C "C5'" . G A 1 3 ? 11.141 23.452 13.575 1.00 0.00 ? 3 G A "C5'" 1
975
+ ATOM 69 C "C4'" . G A 1 3 ? 11.448 22.863 14.953 1.00 0.00 ? 3 G A "C4'" 1
976
+ ATOM 70 O "O4'" . G A 1 3 ? 11.975 21.548 14.878 1.00 0.00 ? 3 G A "O4'" 1
977
+ ATOM 71 C "C3'" . G A 1 3 ? 12.515 23.726 15.619 1.00 0.00 ? 3 G A "C3'" 1
978
+ ATOM 72 O "O3'" . G A 1 3 ? 11.947 24.840 16.288 1.00 0.00 ? 3 G A "O3'" 1
979
+ ATOM 73 C "C2'" . G A 1 3 ? 13.179 22.725 16.551 1.00 0.00 ? 3 G A "C2'" 1
980
+ ATOM 74 O "O2'" . G A 1 3 ? 12.421 22.533 17.728 1.00 0.00 ? 3 G A "O2'" 1
981
+ ATOM 75 C "C1'" . G A 1 3 ? 13.141 21.462 15.679 1.00 0.00 ? 3 G A "C1'" 1
982
+ ATOM 76 N N9 . G A 1 3 ? 14.349 21.394 14.821 1.00 0.00 ? 3 G A N9 1
983
+ ATOM 77 C C8 . G A 1 3 ? 14.492 21.521 13.458 1.00 0.00 ? 3 G A C8 1
984
+ ATOM 78 N N7 . G A 1 3 ? 15.720 21.407 13.036 1.00 0.00 ? 3 G A N7 1
985
+ ATOM 79 C C5 . G A 1 3 ? 16.449 21.189 14.197 1.00 0.00 ? 3 G A C5 1
986
+ ATOM 80 C C6 . G A 1 3 ? 17.856 20.993 14.384 1.00 0.00 ? 3 G A C6 1
987
+ ATOM 81 O O6 . G A 1 3 ? 18.723 20.927 13.520 1.00 0.00 ? 3 G A O6 1
988
+ ATOM 82 N N1 . G A 1 3 ? 18.209 20.872 15.737 1.00 0.00 ? 3 G A N1 1
989
+ ATOM 83 C C2 . G A 1 3 ? 17.305 20.926 16.793 1.00 0.00 ? 3 G A C2 1
990
+ ATOM 84 N N2 . G A 1 3 ? 17.777 20.773 18.036 1.00 0.00 ? 3 G A N2 1
991
+ ATOM 85 N N3 . G A 1 3 ? 15.982 21.091 16.607 1.00 0.00 ? 3 G A N3 1
992
+ ATOM 86 C C4 . G A 1 3 ? 15.621 21.216 15.294 1.00 0.00 ? 3 G A C4 1
993
+ ATOM 87 H "H5'" . G A 1 3 ? 10.633 24.409 13.701 1.00 0.00 ? 3 G A "H5'" 1
994
+ ATOM 88 H "H5''" . G A 1 3 ? 12.073 23.610 13.028 1.00 0.00 ? 3 G A "H5''" 1
995
+ ATOM 89 H "H4'" . G A 1 3 ? 10.543 22.823 15.564 1.00 0.00 ? 3 G A "H4'" 1
996
+ ATOM 90 H "H3'" . G A 1 3 ? 13.253 24.027 14.870 1.00 0.00 ? 3 G A "H3'" 1
997
+ ATOM 91 H "H2'" . G A 1 3 ? 14.185 23.047 16.813 1.00 0.00 ? 3 G A "H2'" 1
998
+ ATOM 92 H "HO2'" . G A 1 3 ? 12.262 23.395 18.121 1.00 0.00 ? 3 G A "HO2'" 1
999
+ ATOM 93 H "H1'" . G A 1 3 ? 13.105 20.561 16.295 1.00 0.00 ? 3 G A "H1'" 1
1000
+ ATOM 94 H H8 . G A 1 3 ? 13.670 21.702 12.784 1.00 0.00 ? 3 G A H8 1
1001
+ ATOM 95 H H1 . G A 1 3 ? 19.185 20.727 15.941 1.00 0.00 ? 3 G A H1 1
1002
+ ATOM 96 H H21 . G A 1 3 ? 18.761 20.613 18.193 1.00 0.00 ? 3 G A H21 1
1003
+ ATOM 97 H H22 . G A 1 3 ? 17.141 20.807 18.820 1.00 0.00 ? 3 G A H22 1
1004
+ ATOM 98 P P . U A 1 4 ? 12.676 26.278 16.299 1.00 0.00 ? 4 U A P 1
1005
+ ATOM 99 O OP1 . U A 1 4 ? 11.969 27.152 17.262 1.00 0.00 ? 4 U A OP1 1
1006
+ ATOM 100 O OP2 . U A 1 4 ? 12.847 26.717 14.895 1.00 0.00 ? 4 U A OP2 1
1007
+ ATOM 101 O "O5'" . U A 1 4 ? 14.132 25.919 16.895 1.00 0.00 ? 4 U A "O5'" 1
1008
+ ATOM 102 C "C5'" . U A 1 4 ? 14.341 25.641 18.268 1.00 0.00 ? 4 U A "C5'" 1
1009
+ ATOM 103 C "C4'" . U A 1 4 ? 15.814 25.301 18.522 1.00 0.00 ? 4 U A "C4'" 1
1010
+ ATOM 104 O "O4'" . U A 1 4 ? 16.240 24.139 17.830 1.00 0.00 ? 4 U A "O4'" 1
1011
+ ATOM 105 C "C3'" . U A 1 4 ? 16.753 26.404 18.047 1.00 0.00 ? 4 U A "C3'" 1
1012
+ ATOM 106 O "O3'" . U A 1 4 ? 16.716 27.536 18.902 1.00 0.00 ? 4 U A "O3'" 1
1013
+ ATOM 107 C "C2'" . U A 1 4 ? 18.075 25.641 18.029 1.00 0.00 ? 4 U A "C2'" 1
1014
+ ATOM 108 O "O2'" . U A 1 4 ? 18.618 25.499 19.322 1.00 0.00 ? 4 U A "O2'" 1
1015
+ ATOM 109 C "C1'" . U A 1 4 ? 17.626 24.261 17.529 1.00 0.00 ? 4 U A "C1'" 1
1016
+ ATOM 110 N N1 . U A 1 4 ? 17.930 24.139 16.073 1.00 0.00 ? 4 U A N1 1
1017
+ ATOM 111 C C2 . U A 1 4 ? 19.265 23.885 15.726 1.00 0.00 ? 4 U A C2 1
1018
+ ATOM 112 O O2 . U A 1 4 ? 20.144 23.706 16.567 1.00 0.00 ? 4 U A O2 1
1019
+ ATOM 113 N N3 . U A 1 4 ? 19.560 23.852 14.365 1.00 0.00 ? 4 U A N3 1
1020
+ ATOM 114 C C4 . U A 1 4 ? 18.648 24.058 13.329 1.00 0.00 ? 4 U A C4 1
1021
+ ATOM 115 O O4 . U A 1 4 ? 19.015 23.983 12.160 1.00 0.00 ? 4 U A O4 1
1022
+ ATOM 116 C C5 . U A 1 4 ? 17.291 24.348 13.774 1.00 0.00 ? 4 U A C5 1
1023
+ ATOM 117 C C6 . U A 1 4 ? 16.978 24.380 15.096 1.00 0.00 ? 4 U A C6 1
1024
+ ATOM 118 H "H5'" . U A 1 4 ? 13.720 24.810 18.601 1.00 0.00 ? 4 U A "H5'" 1
1025
+ ATOM 119 H "H5''" . U A 1 4 ? 14.087 26.527 18.852 1.00 0.00 ? 4 U A "H5''" 1
1026
+ ATOM 120 H "H4'" . U A 1 4 ? 15.960 25.133 19.592 1.00 0.00 ? 4 U A "H4'" 1
1027
+ ATOM 121 H "H3'" . U A 1 4 ? 16.496 26.684 17.022 1.00 0.00 ? 4 U A "H3'" 1
1028
+ ATOM 122 H "H2'" . U A 1 4 ? 18.801 26.127 17.380 1.00 0.00 ? 4 U A "H2'" 1
1029
+ ATOM 123 H "HO2'" . U A 1 4 ? 18.670 26.371 19.708 1.00 0.00 ? 4 U A "HO2'" 1
1030
+ ATOM 124 H "H1'" . U A 1 4 ? 18.149 23.474 18.077 1.00 0.00 ? 4 U A "H1'" 1
1031
+ ATOM 125 H H3 . U A 1 4 ? 20.517 23.667 14.105 1.00 0.00 ? 4 U A H3 1
1032
+ ATOM 126 H H5 . U A 1 4 ? 16.518 24.531 13.041 1.00 0.00 ? 4 U A H5 1
1033
+ ATOM 127 H H6 . U A 1 4 ? 15.961 24.604 15.378 1.00 0.00 ? 4 U A H6 1
1034
+ ATOM 128 P P . C A 1 5 ? 17.432 28.927 18.505 1.00 0.00 ? 5 C A P 1
1035
+ ATOM 129 O OP1 . C A 1 5 ? 17.093 29.936 19.534 1.00 0.00 ? 5 C A OP1 1
1036
+ ATOM 130 O OP2 . C A 1 5 ? 17.144 29.210 17.081 1.00 0.00 ? 5 C A OP2 1
1037
+ ATOM 131 O "O5'" . C A 1 5 ? 18.997 28.557 18.637 1.00 0.00 ? 5 C A "O5'" 1
1038
+ ATOM 132 C "C5'" . C A 1 5 ? 19.683 28.530 19.880 1.00 0.00 ? 5 C A "C5'" 1
1039
+ ATOM 133 C "C4'" . C A 1 5 ? 21.169 28.217 19.638 1.00 0.00 ? 5 C A "C4'" 1
1040
+ ATOM 134 O "O4'" . C A 1 5 ? 21.421 27.010 18.936 1.00 0.00 ? 5 C A "O4'" 1
1041
+ ATOM 135 C "C3'" . C A 1 5 ? 21.794 29.294 18.765 1.00 0.00 ? 5 C A "C3'" 1
1042
+ ATOM 136 O "O3'" . C A 1 5 ? 21.931 30.496 19.502 1.00 0.00 ? 5 C A "O3'" 1
1043
+ ATOM 137 C "C2'" . C A 1 5 ? 23.094 28.619 18.342 1.00 0.00 ? 5 C A "C2'" 1
1044
+ ATOM 138 O "O2'" . C A 1 5 ? 24.096 28.763 19.327 1.00 0.00 ? 5 C A "O2'" 1
1045
+ ATOM 139 C "C1'" . C A 1 5 ? 22.649 27.148 18.215 1.00 0.00 ? 5 C A "C1'" 1
1046
+ ATOM 140 N N1 . C A 1 5 ? 22.497 26.781 16.769 1.00 0.00 ? 5 C A N1 1
1047
+ ATOM 141 C C2 . C A 1 5 ? 23.624 26.317 16.065 1.00 0.00 ? 5 C A C2 1
1048
+ ATOM 142 O O2 . C A 1 5 ? 24.709 26.180 16.621 1.00 0.00 ? 5 C A O2 1
1049
+ ATOM 143 N N3 . C A 1 5 ? 23.493 26.001 14.740 1.00 0.00 ? 5 C A N3 1
1050
+ ATOM 144 C C4 . C A 1 5 ? 22.315 26.135 14.101 1.00 0.00 ? 5 C A C4 1
1051
+ ATOM 145 N N4 . C A 1 5 ? 22.239 25.764 12.816 1.00 0.00 ? 5 C A N4 1
1052
+ ATOM 146 C C5 . C A 1 5 ? 21.157 26.665 14.782 1.00 0.00 ? 5 C A C5 1
1053
+ ATOM 147 C C6 . C A 1 5 ? 21.302 26.975 16.098 1.00 0.00 ? 5 C A C6 1
1054
+ ATOM 148 H "H5'" . C A 1 5 ? 19.256 27.816 20.582 1.00 0.00 ? 5 C A "H5'" 1
1055
+ ATOM 149 H "H5''" . C A 1 5 ? 19.614 29.515 20.344 1.00 0.00 ? 5 C A "H5''" 1
1056
+ ATOM 150 H "H4'" . C A 1 5 ? 21.685 28.168 20.600 1.00 0.00 ? 5 C A "H4'" 1
1057
+ ATOM 151 H "H3'" . C A 1 5 ? 21.176 29.437 17.875 1.00 0.00 ? 5 C A "H3'" 1
1058
+ ATOM 152 H "H2'" . C A 1 5 ? 23.465 29.038 17.409 1.00 0.00 ? 5 C A "H2'" 1
1059
+ ATOM 153 H "HO2'" . C A 1 5 ? 24.366 29.684 19.336 1.00 0.00 ? 5 C A "HO2'" 1
1060
+ ATOM 154 H "H1'" . C A 1 5 ? 23.376 26.491 18.697 1.00 0.00 ? 5 C A "H1'" 1
1061
+ ATOM 155 H H41 . C A 1 5 ? 23.058 25.393 12.355 1.00 0.00 ? 5 C A H41 1
1062
+ ATOM 156 H H42 . C A 1 5 ? 21.365 25.839 12.316 1.00 0.00 ? 5 C A H42 1
1063
+ ATOM 157 H H5 . C A 1 5 ? 20.201 26.820 14.302 1.00 0.00 ? 5 C A H5 1
1064
+ ATOM 158 H H6 . C A 1 5 ? 20.461 27.402 16.619 1.00 0.00 ? 5 C A H6 1
1065
+ ATOM 159 P P . A A 1 6 ? 22.104 31.924 18.783 1.00 0.00 ? 6 A A P 1
1066
+ ATOM 160 O OP1 . A A 1 6 ? 22.069 32.970 19.828 1.00 0.00 ? 6 A A OP1 1
1067
+ ATOM 161 O OP2 . A A 1 6 ? 21.165 31.994 17.640 1.00 0.00 ? 6 A A OP2 1
1068
+ ATOM 162 O "O5'" . A A 1 6 ? 23.603 31.840 18.208 1.00 0.00 ? 6 A A "O5'" 1
1069
+ ATOM 163 C "C5'" . A A 1 6 ? 24.134 32.885 17.419 1.00 0.00 ? 6 A A "C5'" 1
1070
+ ATOM 164 C "C4'" . A A 1 6 ? 25.587 32.597 17.042 1.00 0.00 ? 6 A A "C4'" 1
1071
+ ATOM 165 O "O4'" . A A 1 6 ? 26.425 32.533 18.182 1.00 0.00 ? 6 A A "O4'" 1
1072
+ ATOM 166 C "C3'" . A A 1 6 ? 25.787 31.261 16.332 1.00 0.00 ? 6 A A "C3'" 1
1073
+ ATOM 167 O "O3'" . A A 1 6 ? 25.306 31.295 14.993 1.00 0.00 ? 6 A A "O3'" 1
1074
+ ATOM 168 C "C2'" . A A 1 6 ? 27.306 31.154 16.457 1.00 0.00 ? 6 A A "C2'" 1
1075
+ ATOM 169 O "O2'" . A A 1 6 ? 27.954 31.958 15.487 1.00 0.00 ? 6 A A "O2'" 1
1076
+ ATOM 170 C "C1'" . A A 1 6 ? 27.551 31.728 17.862 1.00 0.00 ? 6 A A "C1'" 1
1077
+ ATOM 171 N N9 . A A 1 6 ? 27.737 30.644 18.860 1.00 0.00 ? 6 A A N9 1
1078
+ ATOM 172 C C8 . A A 1 6 ? 26.924 30.254 19.898 1.00 0.00 ? 6 A A C8 1
1079
+ ATOM 173 N N7 . A A 1 6 ? 27.436 29.333 20.667 1.00 0.00 ? 6 A A N7 1
1080
+ ATOM 174 C C5 . A A 1 6 ? 28.677 29.077 20.096 1.00 0.00 ? 6 A A C5 1
1081
+ ATOM 175 C C6 . A A 1 6 ? 29.748 28.206 20.434 1.00 0.00 ? 6 A A C6 1
1082
+ ATOM 176 N N6 . A A 1 6 ? 29.725 27.412 21.511 1.00 0.00 ? 6 A A N6 1
1083
+ ATOM 177 N N1 . A A 1 6 ? 30.835 28.161 19.621 1.00 0.00 ? 6 A A N1 1
1084
+ ATOM 178 C C2 . A A 1 6 ? 30.867 28.948 18.538 1.00 0.00 ? 6 A A C2 1
1085
+ ATOM 179 N N3 . A A 1 6 ? 29.940 29.824 18.131 1.00 0.00 ? 6 A A N3 1
1086
+ ATOM 180 C C4 . A A 1 6 ? 28.853 29.845 18.964 1.00 0.00 ? 6 A A C4 1
1087
+ ATOM 181 H "H5'" . A A 1 6 ? 24.095 33.824 17.972 1.00 0.00 ? 6 A A "H5'" 1
1088
+ ATOM 182 H "H5''" . A A 1 6 ? 23.549 32.982 16.503 1.00 0.00 ? 6 A A "H5''" 1
1089
+ ATOM 183 H "H4'" . A A 1 6 ? 25.944 33.409 16.403 1.00 0.00 ? 6 A A "H4'" 1
1090
+ ATOM 184 H "H3'" . A A 1 6 ? 25.320 30.462 16.913 1.00 0.00 ? 6 A A "H3'" 1
1091
+ ATOM 185 H "H2'" . A A 1 6 ? 27.641 30.127 16.370 1.00 0.00 ? 6 A A "H2'" 1
1092
+ ATOM 186 H "HO2'" . A A 1 6 ? 28.733 32.357 15.881 1.00 0.00 ? 6 A A "HO2'" 1
1093
+ ATOM 187 H "H1'" . A A 1 6 ? 28.445 32.355 17.882 1.00 0.00 ? 6 A A "H1'" 1
1094
+ ATOM 188 H H8 . A A 1 6 ? 25.954 30.690 20.083 1.00 0.00 ? 6 A A H8 1
1095
+ ATOM 189 H H61 . A A 1 6 ? 30.496 26.785 21.692 1.00 0.00 ? 6 A A H61 1
1096
+ ATOM 190 H H62 . A A 1 6 ? 28.911 27.399 22.109 1.00 0.00 ? 6 A A H62 1
1097
+ ATOM 191 H H2 . A A 1 6 ? 31.750 28.873 17.920 1.00 0.00 ? 6 A A H2 1
1098
+ ATOM 192 P P . A A 1 7 ? 24.858 29.957 14.201 1.00 0.00 ? 7 A A P 1
1099
+ ATOM 193 O OP1 . A A 1 7 ? 24.677 30.302 12.773 1.00 0.00 ? 7 A A OP1 1
1100
+ ATOM 194 O OP2 . A A 1 7 ? 23.745 29.327 14.944 1.00 0.00 ? 7 A A OP2 1
1101
+ ATOM 195 O "O5'" . A A 1 7 ? 26.158 29.011 14.340 1.00 0.00 ? 7 A A "O5'" 1
1102
+ ATOM 196 C "C5'" . A A 1 7 ? 27.313 29.183 13.536 1.00 0.00 ? 7 A A "C5'" 1
1103
+ ATOM 197 C "C4'" . A A 1 7 ? 28.408 28.194 13.958 1.00 0.00 ? 7 A A "C4'" 1
1104
+ ATOM 198 O "O4'" . A A 1 7 ? 28.857 28.387 15.284 1.00 0.00 ? 7 A A "O4'" 1
1105
+ ATOM 199 C "C3'" . A A 1 7 ? 27.906 26.758 13.894 1.00 0.00 ? 7 A A "C3'" 1
1106
+ ATOM 200 O "O3'" . A A 1 7 ? 27.941 26.338 12.541 1.00 0.00 ? 7 A A "O3'" 1
1107
+ ATOM 201 C "C2'" . A A 1 7 ? 28.878 26.037 14.822 1.00 0.00 ? 7 A A "C2'" 1
1108
+ ATOM 202 O "O2'" . A A 1 7 ? 30.069 25.654 14.165 1.00 0.00 ? 7 A A "O2'" 1
1109
+ ATOM 203 C "C1'" . A A 1 7 ? 29.192 27.132 15.855 1.00 0.00 ? 7 A A "C1'" 1
1110
+ ATOM 204 N N9 . A A 1 7 ? 28.412 26.906 17.094 1.00 0.00 ? 7 A A N9 1
1111
+ ATOM 205 C C8 . A A 1 7 ? 27.180 27.391 17.463 1.00 0.00 ? 7 A A C8 1
1112
+ ATOM 206 N N7 . A A 1 7 ? 26.739 26.929 18.600 1.00 0.00 ? 7 A A N7 1
1113
+ ATOM 207 C C5 . A A 1 7 ? 27.753 26.082 19.028 1.00 0.00 ? 7 A A C5 1
1114
+ ATOM 208 C C6 . A A 1 7 ? 27.935 25.282 20.187 1.00 0.00 ? 7 A A C6 1
1115
+ ATOM 209 N N6 . A A 1 7 ? 27.029 25.216 21.170 1.00 0.00 ? 7 A A N6 1
1116
+ ATOM 210 N N1 . A A 1 7 ? 29.091 24.582 20.323 1.00 0.00 ? 7 A A N1 1
1117
+ ATOM 211 C C2 . A A 1 7 ? 30.021 24.673 19.363 1.00 0.00 ? 7 A A C2 1
1118
+ ATOM 212 N N3 . A A 1 7 ? 29.960 25.374 18.225 1.00 0.00 ? 7 A A N3 1
1119
+ ATOM 213 C C4 . A A 1 7 ? 28.786 26.071 18.116 1.00 0.00 ? 7 A A C4 1
1120
+ ATOM 214 H "H5'" . A A 1 7 ? 27.695 30.201 13.608 1.00 0.00 ? 7 A A "H5'" 1
1121
+ ATOM 215 H "H5''" . A A 1 7 ? 27.050 28.982 12.496 1.00 0.00 ? 7 A A "H5''" 1
1122
+ ATOM 216 H "H4'" . A A 1 7 ? 29.275 28.312 13.303 1.00 0.00 ? 7 A A "H4'" 1
1123
+ ATOM 217 H "H3'" . A A 1 7 ? 26.912 26.687 14.342 1.00 0.00 ? 7 A A "H3'" 1
1124
+ ATOM 218 H "H2'" . A A 1 7 ? 28.403 25.156 15.254 1.00 0.00 ? 7 A A "H2'" 1
1125
+ ATOM 219 H "HO2'" . A A 1 7 ? 29.900 25.628 13.221 1.00 0.00 ? 7 A A "HO2'" 1
1126
+ ATOM 220 H "H1'" . A A 1 7 ? 30.255 27.140 16.103 1.00 0.00 ? 7 A A "H1'" 1
1127
+ ATOM 221 H H8 . A A 1 7 ? 26.607 28.080 16.862 1.00 0.00 ? 7 A A H8 1
1128
+ ATOM 222 H H61 . A A 1 7 ? 27.212 24.649 21.985 1.00 0.00 ? 7 A A H61 1
1129
+ ATOM 223 H H62 . A A 1 7 ? 26.174 25.749 21.104 1.00 0.00 ? 7 A A H62 1
1130
+ ATOM 224 H H2 . A A 1 7 ? 30.916 24.085 19.504 1.00 0.00 ? 7 A A H2 1
1131
+ ATOM 225 P P . U A 1 8 ? 26.739 25.515 11.857 1.00 0.00 ? 8 U A P 1
1132
+ ATOM 226 O OP1 . U A 1 8 ? 26.974 25.489 10.396 1.00 0.00 ? 8 U A OP1 1
1133
+ ATOM 227 O OP2 . U A 1 8 ? 25.450 26.018 12.383 1.00 0.00 ? 8 U A OP2 1
1134
+ ATOM 228 O "O5'" . U A 1 8 ? 26.997 24.036 12.445 1.00 0.00 ? 8 U A "O5'" 1
1135
+ ATOM 229 C "C5'" . U A 1 8 ? 28.215 23.340 12.220 1.00 0.00 ? 8 U A "C5'" 1
1136
+ ATOM 230 C "C4'" . U A 1 8 ? 27.925 21.836 12.227 1.00 0.00 ? 8 U A "C4'" 1
1137
+ ATOM 231 O "O4'" . U A 1 8 ? 27.029 21.607 11.160 1.00 0.00 ? 8 U A "O4'" 1
1138
+ ATOM 232 C "C3'" . U A 1 8 ? 29.177 20.968 12.007 1.00 0.00 ? 8 U A "C3'" 1
1139
+ ATOM 233 O "O3'" . U A 1 8 ? 29.473 20.117 13.104 1.00 0.00 ? 8 U A "O3'" 1
1140
+ ATOM 234 C "C2'" . U A 1 8 ? 28.851 20.124 10.775 1.00 0.00 ? 8 U A "C2'" 1
1141
+ ATOM 235 O "O2'" . U A 1 8 ? 29.064 18.729 10.911 1.00 0.00 ? 8 U A "O2'" 1
1142
+ ATOM 236 C "C1'" . U A 1 8 ? 27.379 20.427 10.481 1.00 0.00 ? 8 U A "C1'" 1
1143
+ ATOM 237 N N1 . U A 1 8 ? 27.232 20.622 9.016 1.00 0.00 ? 8 U A N1 1
1144
+ ATOM 238 C C2 . U A 1 8 ? 26.741 19.555 8.252 1.00 0.00 ? 8 U A C2 1
1145
+ ATOM 239 O O2 . U A 1 8 ? 26.263 18.536 8.748 1.00 0.00 ? 8 U A O2 1
1146
+ ATOM 240 N N3 . U A 1 8 ? 26.839 19.695 6.868 1.00 0.00 ? 8 U A N3 1
1147
+ ATOM 241 C C4 . U A 1 8 ? 27.414 20.777 6.195 1.00 0.00 ? 8 U A C4 1
1148
+ ATOM 242 O O4 . U A 1 8 ? 27.451 20.793 4.968 1.00 0.00 ? 8 U A O4 1
1149
+ ATOM 243 C C5 . U A 1 8 ? 27.940 21.819 7.065 1.00 0.00 ? 8 U A C5 1
1150
+ ATOM 244 C C6 . U A 1 8 ? 27.828 21.719 8.413 1.00 0.00 ? 8 U A C6 1
1151
+ ATOM 245 H "H5'" . U A 1 8 ? 28.937 23.592 12.996 1.00 0.00 ? 8 U A "H5'" 1
1152
+ ATOM 246 H "H5''" . U A 1 8 ? 28.644 23.600 11.248 1.00 0.00 ? 8 U A "H5''" 1
1153
+ ATOM 247 H "H4'" . U A 1 8 ? 27.435 21.536 13.148 1.00 0.00 ? 8 U A "H4'" 1
1154
+ ATOM 248 H "H3'" . U A 1 8 ? 30.036 21.597 11.761 1.00 0.00 ? 8 U A "H3'" 1
1155
+ ATOM 249 H "H2'" . U A 1 8 ? 29.513 20.465 9.978 1.00 0.00 ? 8 U A "H2'" 1
1156
+ ATOM 250 H "HO2'" . U A 1 8 ? 28.245 18.316 11.192 1.00 0.00 ? 8 U A "HO2'" 1
1157
+ ATOM 251 H "H1'" . U A 1 8 ? 26.729 19.651 10.892 1.00 0.00 ? 8 U A "H1'" 1
1158
+ ATOM 252 H H3 . U A 1 8 ? 26.485 18.935 6.307 1.00 0.00 ? 8 U A H3 1
1159
+ ATOM 253 H H5 . U A 1 8 ? 28.444 22.675 6.639 1.00 0.00 ? 8 U A H5 1
1160
+ ATOM 254 H H6 . U A 1 8 ? 28.267 22.493 9.029 1.00 0.00 ? 8 U A H6 1
1161
+ ATOM 255 P P . U A 1 9 ? 30.343 20.604 14.366 1.00 0.00 ? 9 U A P 1
1162
+ ATOM 256 O OP1 . U A 1 9 ? 31.343 21.595 13.908 1.00 0.00 ? 9 U A OP1 1
1163
+ ATOM 257 O OP2 . U A 1 9 ? 30.787 19.400 15.104 1.00 0.00 ? 9 U A OP2 1
1164
+ ATOM 258 O "O5'" . U A 1 9 ? 29.250 21.367 15.263 1.00 0.00 ? 9 U A "O5'" 1
1165
+ ATOM 259 C "C5'" . U A 1 9 ? 29.638 22.135 16.382 1.00 0.00 ? 9 U A "C5'" 1
1166
+ ATOM 260 C "C4'" . U A 1 9 ? 28.435 22.424 17.282 1.00 0.00 ? 9 U A "C4'" 1
1167
+ ATOM 261 O "O4'" . U A 1 9 ? 27.531 23.373 16.751 1.00 0.00 ? 9 U A "O4'" 1
1168
+ ATOM 262 C "C3'" . U A 1 9 ? 27.578 21.205 17.589 1.00 0.00 ? 9 U A "C3'" 1
1169
+ ATOM 263 O "O3'" . U A 1 9 ? 28.266 20.284 18.423 1.00 0.00 ? 9 U A "O3'" 1
1170
+ ATOM 264 C "C2'" . U A 1 9 ? 26.384 21.912 18.232 1.00 0.00 ? 9 U A "C2'" 1
1171
+ ATOM 265 O "O2'" . U A 1 9 ? 26.635 22.277 19.577 1.00 0.00 ? 9 U A "O2'" 1
1172
+ ATOM 266 C "C1'" . U A 1 9 ? 26.258 23.174 17.361 1.00 0.00 ? 9 U A "C1'" 1
1173
+ ATOM 267 N N1 . U A 1 9 ? 25.162 23.007 16.360 1.00 0.00 ? 9 U A N1 1
1174
+ ATOM 268 C C2 . U A 1 9 ? 23.844 23.257 16.773 1.00 0.00 ? 9 U A C2 1
1175
+ ATOM 269 O O2 . U A 1 9 ? 23.549 23.574 17.925 1.00 0.00 ? 9 U A O2 1
1176
+ ATOM 270 N N3 . U A 1 9 ? 22.859 23.146 15.792 1.00 0.00 ? 9 U A N3 1
1177
+ ATOM 271 C C4 . U A 1 9 ? 23.065 22.769 14.463 1.00 0.00 ? 9 U A C4 1
1178
+ ATOM 272 O O4 . U A 1 9 ? 22.128 22.726 13.673 1.00 0.00 ? 9 U A O4 1
1179
+ ATOM 273 C C5 . U A 1 9 ? 24.445 22.446 14.142 1.00 0.00 ? 9 U A C5 1
1180
+ ATOM 274 C C6 . U A 1 9 ? 25.423 22.572 15.074 1.00 0.00 ? 9 U A C6 1
1181
+ ATOM 275 H "H5'" . U A 1 9 ? 30.097 23.068 16.050 1.00 0.00 ? 9 U A "H5'" 1
1182
+ ATOM 276 H "H5''" . U A 1 9 ? 30.365 21.576 16.976 1.00 0.00 ? 9 U A "H5''" 1
1183
+ ATOM 277 H "H4'" . U A 1 9 ? 28.815 22.806 18.222 1.00 0.00 ? 9 U A "H4'" 1
1184
+ ATOM 278 H "H3'" . U A 1 9 ? 27.257 20.739 16.654 1.00 0.00 ? 9 U A "H3'" 1
1185
+ ATOM 279 H "H2'" . U A 1 9 ? 25.499 21.289 18.188 1.00 0.00 ? 9 U A "H2'" 1
1186
+ ATOM 280 H "HO2'" . U A 1 9 ? 27.104 23.114 19.585 1.00 0.00 ? 9 U A "HO2'" 1
1187
+ ATOM 281 H "H1'" . U A 1 9 ? 26.056 24.055 17.973 1.00 0.00 ? 9 U A "H1'" 1
1188
+ ATOM 282 H H3 . U A 1 9 ? 21.918 23.380 16.064 1.00 0.00 ? 9 U A H3 1
1189
+ ATOM 283 H H5 . U A 1 9 ? 24.691 22.104 13.146 1.00 0.00 ? 9 U A H5 1
1190
+ ATOM 284 H H6 . U A 1 9 ? 26.434 22.324 14.809 1.00 0.00 ? 9 U A H6 1
1191
+ ATOM 285 P P . C A 1 10 ? 27.841 18.727 18.518 1.00 0.00 ? 10 C A P 1
1192
+ ATOM 286 O OP1 . C A 1 10 ? 28.746 18.060 19.482 1.00 0.00 ? 10 C A OP1 1
1193
+ ATOM 287 O OP2 . C A 1 10 ? 27.715 18.194 17.143 1.00 0.00 ? 10 C A OP2 1
1194
+ ATOM 288 O "O5'" . C A 1 10 ? 26.368 18.806 19.171 1.00 0.00 ? 10 C A "O5'" 1
1195
+ ATOM 289 C "C5'" . C A 1 10 ? 26.173 19.020 20.558 1.00 0.00 ? 10 C A "C5'" 1
1196
+ ATOM 290 C "C4'" . C A 1 10 ? 24.708 19.352 20.862 1.00 0.00 ? 10 C A "C4'" 1
1197
+ ATOM 291 O "O4'" . C A 1 10 ? 24.254 20.485 20.140 1.00 0.00 ? 10 C A "O4'" 1
1198
+ ATOM 292 C "C3'" . C A 1 10 ? 23.731 18.235 20.506 1.00 0.00 ? 10 C A "C3'" 1
1199
+ ATOM 293 O "O3'" . C A 1 10 ? 23.796 17.153 21.424 1.00 0.00 ? 10 C A "O3'" 1
1200
+ ATOM 294 C "C2'" . C A 1 10 ? 22.424 19.030 20.539 1.00 0.00 ? 10 C A "C2'" 1
1201
+ ATOM 295 O "O2'" . C A 1 10 ? 21.985 19.250 21.868 1.00 0.00 ? 10 C A "O2'" 1
1202
+ ATOM 296 C "C1'" . C A 1 10 ? 22.862 20.351 19.883 1.00 0.00 ? 10 C A "C1'" 1
1203
+ ATOM 297 N N1 . C A 1 10 ? 22.543 20.330 18.418 1.00 0.00 ? 10 C A N1 1
1204
+ ATOM 298 C C2 . C A 1 10 ? 21.283 20.805 18.014 1.00 0.00 ? 10 C A C2 1
1205
+ ATOM 299 O O2 . C A 1 10 ? 20.511 21.328 18.815 1.00 0.00 ? 10 C A O2 1
1206
+ ATOM 300 N N3 . C A 1 10 ? 20.925 20.667 16.702 1.00 0.00 ? 10 C A N3 1
1207
+ ATOM 301 C C4 . C A 1 10 ? 21.740 20.093 15.796 1.00 0.00 ? 10 C A C4 1
1208
+ ATOM 302 N N4 . C A 1 10 ? 21.310 19.956 14.536 1.00 0.00 ? 10 C A N4 1
1209
+ ATOM 303 C C5 . C A 1 10 ? 23.048 19.623 16.176 1.00 0.00 ? 10 C A C5 1
1210
+ ATOM 304 C C6 . C A 1 10 ? 23.392 19.754 17.484 1.00 0.00 ? 10 C A C6 1
1211
+ ATOM 305 H "H5'" . C A 1 10 ? 26.795 19.844 20.912 1.00 0.00 ? 10 C A "H5'" 1
1212
+ ATOM 306 H "H5''" . C A 1 10 ? 26.450 18.111 21.095 1.00 0.00 ? 10 C A "H5''" 1
1213
+ ATOM 307 H "H4'" . C A 1 10 ? 24.621 19.579 21.927 1.00 0.00 ? 10 C A "H4'" 1
1214
+ ATOM 308 H "H3'" . C A 1 10 ? 23.932 17.889 19.490 1.00 0.00 ? 10 C A "H3'" 1
1215
+ ATOM 309 H "H2'" . C A 1 10 ? 21.628 18.541 19.989 1.00 0.00 ? 10 C A "H2'" 1
1216
+ ATOM 310 H "HO2'" . C A 1 10 ? 22.011 20.190 22.060 1.00 0.00 ? 10 C A "HO2'" 1
1217
+ ATOM 311 H "H1'" . C A 1 10 ? 22.374 21.201 20.362 1.00 0.00 ? 10 C A "H1'" 1
1218
+ ATOM 312 H H41 . C A 1 10 ? 20.385 20.276 14.290 1.00 0.00 ? 10 C A H41 1
1219
+ ATOM 313 H H42 . C A 1 10 ? 21.909 19.554 13.830 1.00 0.00 ? 10 C A H42 1
1220
+ ATOM 314 H H5 . C A 1 10 ? 23.744 19.177 15.479 1.00 0.00 ? 10 C A H5 1
1221
+ ATOM 315 H H6 . C A 1 10 ? 24.354 19.380 17.785 1.00 0.00 ? 10 C A H6 1
1222
+ ATOM 316 P P . G A 1 11 ? 23.176 15.698 21.082 1.00 0.00 ? 11 G A P 1
1223
+ ATOM 317 O OP1 . G A 1 11 ? 23.405 14.814 22.246 1.00 0.00 ? 11 G A OP1 1
1224
+ ATOM 318 O OP2 . G A 1 11 ? 23.663 15.288 19.745 1.00 0.00 ? 11 G A OP2 1
1225
+ ATOM 319 O "O5'" . G A 1 11 ? 21.594 15.991 20.969 1.00 0.00 ? 11 G A "O5'" 1
1226
+ ATOM 320 C "C5'" . G A 1 11 ? 20.781 16.188 22.112 1.00 0.00 ? 11 G A "C5'" 1
1227
+ ATOM 321 C "C4'" . G A 1 11 ? 19.353 16.544 21.687 1.00 0.00 ? 11 G A "C4'" 1
1228
+ ATOM 322 O "O4'" . G A 1 11 ? 19.308 17.701 20.869 1.00 0.00 ? 11 G A "O4'" 1
1229
+ ATOM 323 C "C3'" . G A 1 11 ? 18.687 15.439 20.870 1.00 0.00 ? 11 G A "C3'" 1
1230
+ ATOM 324 O "O3'" . G A 1 11 ? 18.287 14.348 21.685 1.00 0.00 ? 11 G A "O3'" 1
1231
+ ATOM 325 C "C2'" . G A 1 11 ? 17.533 16.231 20.262 1.00 0.00 ? 11 G A "C2'" 1
1232
+ ATOM 326 O "O2'" . G A 1 11 ? 16.495 16.444 21.201 1.00 0.00 ? 11 G A "O2'" 1
1233
+ ATOM 327 C "C1'" . G A 1 11 ? 18.242 17.555 19.942 1.00 0.00 ? 11 G A "C1'" 1
1234
+ ATOM 328 N N9 . G A 1 11 ? 18.737 17.522 18.545 1.00 0.00 ? 11 G A N9 1
1235
+ ATOM 329 C C8 . G A 1 11 ? 19.995 17.295 18.035 1.00 0.00 ? 11 G A C8 1
1236
+ ATOM 330 N N7 . G A 1 11 ? 20.070 17.371 16.737 1.00 0.00 ? 11 G A N7 1
1237
+ ATOM 331 C C5 . G A 1 11 ? 18.763 17.629 16.349 1.00 0.00 ? 11 G A C5 1
1238
+ ATOM 332 C C6 . G A 1 11 ? 18.205 17.793 15.040 1.00 0.00 ? 11 G A C6 1
1239
+ ATOM 333 O O6 . G A 1 11 ? 18.804 17.802 13.972 1.00 0.00 ? 11 G A O6 1
1240
+ ATOM 334 N N1 . G A 1 11 ? 16.810 17.951 15.065 1.00 0.00 ? 11 G A N1 1
1241
+ ATOM 335 C C2 . G A 1 11 ? 16.040 17.945 16.224 1.00 0.00 ? 11 G A C2 1
1242
+ ATOM 336 N N2 . G A 1 11 ? 14.717 18.105 16.102 1.00 0.00 ? 11 G A N2 1
1243
+ ATOM 337 N N3 . G A 1 11 ? 16.575 17.808 17.453 1.00 0.00 ? 11 G A N3 1
1244
+ ATOM 338 C C4 . G A 1 11 ? 17.934 17.658 17.445 1.00 0.00 ? 11 G A C4 1
1245
+ ATOM 339 H "H5'" . G A 1 11 ? 21.176 16.987 22.739 1.00 0.00 ? 11 G A "H5'" 1
1246
+ ATOM 340 H "H5''" . G A 1 11 ? 20.749 15.267 22.696 1.00 0.00 ? 11 G A "H5''" 1
1247
+ ATOM 341 H "H4'" . G A 1 11 ? 18.758 16.743 22.581 1.00 0.00 ? 11 G A "H4'" 1
1248
+ ATOM 342 H "H3'" . G A 1 11 ? 19.365 15.118 20.075 1.00 0.00 ? 11 G A "H3'" 1
1249
+ ATOM 343 H "H2'" . G A 1 11 ? 17.125 15.744 19.378 1.00 0.00 ? 11 G A "H2'" 1
1250
+ ATOM 344 H "HO2'" . G A 1 11 ? 16.347 17.387 21.301 1.00 0.00 ? 11 G A "HO2'" 1
1251
+ ATOM 345 H "H1'" . G A 1 11 ? 17.561 18.403 20.041 1.00 0.00 ? 11 G A "H1'" 1
1252
+ ATOM 346 H H8 . G A 1 11 ? 20.856 17.066 18.639 1.00 0.00 ? 11 G A H8 1
1253
+ ATOM 347 H H1 . G A 1 11 ? 16.349 18.065 14.176 1.00 0.00 ? 11 G A H1 1
1254
+ ATOM 348 H H21 . G A 1 11 ? 14.307 18.244 15.191 1.00 0.00 ? 11 G A H21 1
1255
+ ATOM 349 H H22 . G A 1 11 ? 14.130 18.093 16.924 1.00 0.00 ? 11 G A H22 1
1256
+ ATOM 350 P P . C A 1 12 ? 17.965 12.889 21.069 1.00 0.00 ? 12 C A P 1
1257
+ ATOM 351 O OP1 . C A 1 12 ? 17.511 12.013 22.172 1.00 0.00 ? 12 C A OP1 1
1258
+ ATOM 352 O OP2 . C A 1 12 ? 19.116 12.477 20.234 1.00 0.00 ? 12 C A OP2 1
1259
+ ATOM 353 O "O5'" . C A 1 12 ? 16.715 13.166 20.089 1.00 0.00 ? 12 C A "O5'" 1
1260
+ ATOM 354 C "C5'" . C A 1 12 ? 15.396 13.368 20.566 1.00 0.00 ? 12 C A "C5'" 1
1261
+ ATOM 355 C "C4'" . C A 1 12 ? 14.455 13.646 19.389 1.00 0.00 ? 12 C A "C4'" 1
1262
+ ATOM 356 O "O4'" . C A 1 12 ? 14.821 14.801 18.650 1.00 0.00 ? 12 C A "O4'" 1
1263
+ ATOM 357 C "C3'" . C A 1 12 ? 14.449 12.513 18.364 1.00 0.00 ? 12 C A "C3'" 1
1264
+ ATOM 358 O "O3'" . C A 1 12 ? 13.758 11.366 18.836 1.00 0.00 ? 12 C A "O3'" 1
1265
+ ATOM 359 C "C2'" . C A 1 12 ? 13.781 13.229 17.194 1.00 0.00 ? 12 C A "C2'" 1
1266
+ ATOM 360 O "O2'" . C A 1 12 ? 12.379 13.312 17.383 1.00 0.00 ? 12 C A "O2'" 1
1267
+ ATOM 361 C "C1'" . C A 1 12 ? 14.446 14.615 17.288 1.00 0.00 ? 12 C A "C1'" 1
1268
+ ATOM 362 N N1 . C A 1 12 ? 15.615 14.685 16.350 1.00 0.00 ? 12 C A N1 1
1269
+ ATOM 363 C C2 . C A 1 12 ? 15.353 14.985 15.002 1.00 0.00 ? 12 C A C2 1
1270
+ ATOM 364 O O2 . C A 1 12 ? 14.213 15.237 14.621 1.00 0.00 ? 12 C A O2 1
1271
+ ATOM 365 N N3 . C A 1 12 ? 16.397 14.996 14.117 1.00 0.00 ? 12 C A N3 1
1272
+ ATOM 366 C C4 . C A 1 12 ? 17.656 14.717 14.502 1.00 0.00 ? 12 C A C4 1
1273
+ ATOM 367 N N4 . C A 1 12 ? 18.633 14.770 13.588 1.00 0.00 ? 12 C A N4 1
1274
+ ATOM 368 C C5 . C A 1 12 ? 17.952 14.397 15.877 1.00 0.00 ? 12 C A C5 1
1275
+ ATOM 369 C C6 . C A 1 12 ? 16.909 14.390 16.749 1.00 0.00 ? 12 C A C6 1
1276
+ ATOM 370 H "H5'" . C A 1 12 ? 15.354 14.200 21.269 1.00 0.00 ? 12 C A "H5'" 1
1277
+ ATOM 371 H "H5''" . C A 1 12 ? 15.055 12.466 21.076 1.00 0.00 ? 12 C A "H5''" 1
1278
+ ATOM 372 H "H4'" . C A 1 12 ? 13.444 13.799 19.774 1.00 0.00 ? 12 C A "H4'" 1
1279
+ ATOM 373 H "H3'" . C A 1 12 ? 15.478 12.266 18.095 1.00 0.00 ? 12 C A "H3'" 1
1280
+ ATOM 374 H "H2'" . C A 1 12 ? 13.976 12.735 16.247 1.00 0.00 ? 12 C A "H2'" 1
1281
+ ATOM 375 H "HO2'" . C A 1 12 ? 12.102 14.227 17.298 1.00 0.00 ? 12 C A "HO2'" 1
1282
+ ATOM 376 H "H1'" . C A 1 12 ? 13.730 15.403 17.043 1.00 0.00 ? 12 C A "H1'" 1
1283
+ ATOM 377 H H41 . C A 1 12 ? 18.408 15.009 12.633 1.00 0.00 ? 12 C A H41 1
1284
+ ATOM 378 H H42 . C A 1 12 ? 19.593 14.608 13.853 1.00 0.00 ? 12 C A H42 1
1285
+ ATOM 379 H H5 . C A 1 12 ? 18.949 14.176 16.232 1.00 0.00 ? 12 C A H5 1
1286
+ ATOM 380 H H6 . C A 1 12 ? 17.113 14.132 17.773 1.00 0.00 ? 12 C A H6 1
1287
+ ATOM 381 P P . A A 1 13 ? 13.969 9.906 18.174 1.00 0.00 ? 13 A A P 1
1288
+ ATOM 382 O OP1 . A A 1 13 ? 13.116 8.945 18.908 1.00 0.00 ? 13 A A OP1 1
1289
+ ATOM 383 O OP2 . A A 1 13 ? 15.424 9.654 18.064 1.00 0.00 ? 13 A A OP2 1
1290
+ ATOM 384 O "O5'" . A A 1 13 ? 13.376 10.080 16.680 1.00 0.00 ? 13 A A "O5'" 1
1291
+ ATOM 385 C "C5'" . A A 1 13 ? 11.985 10.033 16.422 1.00 0.00 ? 13 A A "C5'" 1
1292
+ ATOM 386 C "C4'" . A A 1 13 ? 11.686 10.324 14.948 1.00 0.00 ? 13 A A "C4'" 1
1293
+ ATOM 387 O "O4'" . A A 1 13 ? 12.144 11.602 14.537 1.00 0.00 ? 13 A A "O4'" 1
1294
+ ATOM 388 C "C3'" . A A 1 13 ? 12.316 9.339 13.961 1.00 0.00 ? 13 A A "C3'" 1
1295
+ ATOM 389 O "O3'" . A A 1 13 ? 11.684 8.076 13.953 1.00 0.00 ? 13 A A "O3'" 1
1296
+ ATOM 390 C "C2'" . A A 1 13 ? 12.122 10.124 12.665 1.00 0.00 ? 13 A A "C2'" 1
1297
+ ATOM 391 O "O2'" . A A 1 13 ? 10.775 10.065 12.230 1.00 0.00 ? 13 A A "O2'" 1
1298
+ ATOM 392 C "C1'" . A A 1 13 ? 12.470 11.542 13.153 1.00 0.00 ? 13 A A "C1'" 1
1299
+ ATOM 393 N N9 . A A 1 13 ? 13.917 11.788 12.929 1.00 0.00 ? 13 A A N9 1
1300
+ ATOM 394 C C8 . A A 1 13 ? 14.980 11.672 13.795 1.00 0.00 ? 13 A A C8 1
1301
+ ATOM 395 N N7 . A A 1 13 ? 16.144 11.898 13.254 1.00 0.00 ? 13 A A N7 1
1302
+ ATOM 396 C C5 . A A 1 13 ? 15.845 12.142 11.920 1.00 0.00 ? 13 A A C5 1
1303
+ ATOM 397 C C6 . A A 1 13 ? 16.642 12.408 10.776 1.00 0.00 ? 13 A A C6 1
1304
+ ATOM 398 N N6 . A A 1 13 ? 17.971 12.554 10.840 1.00 0.00 ? 13 A A N6 1
1305
+ ATOM 399 N N1 . A A 1 13 ? 16.033 12.520 9.567 1.00 0.00 ? 13 A A N1 1
1306
+ ATOM 400 C C2 . A A 1 13 ? 14.702 12.386 9.497 1.00 0.00 ? 13 A A C2 1
1307
+ ATOM 401 N N3 . A A 1 13 ? 13.847 12.154 10.500 1.00 0.00 ? 13 A A N3 1
1308
+ ATOM 402 C C4 . A A 1 13 ? 14.488 12.043 11.705 1.00 0.00 ? 13 A A C4 1
1309
+ ATOM 403 H "H5'" . A A 1 13 ? 11.456 10.762 17.038 1.00 0.00 ? 13 A A "H5'" 1
1310
+ ATOM 404 H "H5''" . A A 1 13 ? 11.610 9.036 16.657 1.00 0.00 ? 13 A A "H5''" 1
1311
+ ATOM 405 H "H4'" . A A 1 13 ? 10.601 10.306 14.820 1.00 0.00 ? 13 A A "H4'" 1
1312
+ ATOM 406 H "H3'" . A A 1 13 ? 13.382 9.214 14.162 1.00 0.00 ? 13 A A "H3'" 1
1313
+ ATOM 407 H "HO3'" . A A 1 13 ? 10.739 8.210 13.861 1.00 0.00 ? 13 A A "HO3'" 1
1314
+ ATOM 408 H "H2'" . A A 1 13 ? 12.774 9.766 11.866 1.00 0.00 ? 13 A A "H2'" 1
1315
+ ATOM 409 H "HO2'" . A A 1 13 ? 10.469 10.955 12.036 1.00 0.00 ? 13 A A "HO2'" 1
1316
+ ATOM 410 H "H1'" . A A 1 13 ? 11.900 12.302 12.614 1.00 0.00 ? 13 A A "H1'" 1
1317
+ ATOM 411 H H8 . A A 1 13 ? 14.880 11.396 14.831 1.00 0.00 ? 13 A A H8 1
1318
+ ATOM 412 H H61 . A A 1 13 ? 18.498 12.752 10.002 1.00 0.00 ? 13 A A H61 1
1319
+ ATOM 413 H H62 . A A 1 13 ? 18.441 12.479 11.731 1.00 0.00 ? 13 A A H62 1
1320
+ ATOM 414 H H2 . A A 1 13 ? 14.261 12.484 8.516 1.00 0.00 ? 13 A A H2 1
1321
+ #
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