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structures/1a4d.cif ADDED
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structures/1dqf.cif ADDED
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1
+ data_1DQF
2
+ #
3
+ _entry.id 1DQF
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.385
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 1DQF pdb_00001dqf 10.2210/pdb1dqf/pdb
15
+ NDB AR0026 ? ?
16
+ RCSB RCSB010292 ? ?
17
+ WWPDB D_1000010292 ? ?
18
+ #
19
+ loop_
20
+ _pdbx_audit_revision_history.ordinal
21
+ _pdbx_audit_revision_history.data_content_type
22
+ _pdbx_audit_revision_history.major_revision
23
+ _pdbx_audit_revision_history.minor_revision
24
+ _pdbx_audit_revision_history.revision_date
25
+ 1 'Structure model' 1 0 2000-11-13
26
+ 2 'Structure model' 1 1 2008-04-27
27
+ 3 'Structure model' 1 2 2011-07-13
28
+ 4 'Structure model' 1 3 2011-11-16
29
+ 5 'Structure model' 1 4 2024-02-07
30
+ #
31
+ _pdbx_audit_revision_details.ordinal 1
32
+ _pdbx_audit_revision_details.revision_ordinal 1
33
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
34
+ _pdbx_audit_revision_details.provider repository
35
+ _pdbx_audit_revision_details.type 'Initial release'
36
+ _pdbx_audit_revision_details.description ?
37
+ _pdbx_audit_revision_details.details ?
38
+ #
39
+ loop_
40
+ _pdbx_audit_revision_group.ordinal
41
+ _pdbx_audit_revision_group.revision_ordinal
42
+ _pdbx_audit_revision_group.data_content_type
43
+ _pdbx_audit_revision_group.group
44
+ 1 2 'Structure model' 'Version format compliance'
45
+ 2 3 'Structure model' 'Version format compliance'
46
+ 3 4 'Structure model' 'Atomic model'
47
+ 4 5 'Structure model' 'Data collection'
48
+ 5 5 'Structure model' 'Database references'
49
+ 6 5 'Structure model' 'Derived calculations'
50
+ #
51
+ loop_
52
+ _pdbx_audit_revision_category.ordinal
53
+ _pdbx_audit_revision_category.revision_ordinal
54
+ _pdbx_audit_revision_category.data_content_type
55
+ _pdbx_audit_revision_category.category
56
+ 1 5 'Structure model' chem_comp_atom
57
+ 2 5 'Structure model' chem_comp_bond
58
+ 3 5 'Structure model' database_2
59
+ 4 5 'Structure model' pdbx_struct_conn_angle
60
+ 5 5 'Structure model' struct_conn
61
+ 6 5 'Structure model' struct_site
62
+ #
63
+ loop_
64
+ _pdbx_audit_revision_item.ordinal
65
+ _pdbx_audit_revision_item.revision_ordinal
66
+ _pdbx_audit_revision_item.data_content_type
67
+ _pdbx_audit_revision_item.item
68
+ 1 5 'Structure model' '_database_2.pdbx_DOI'
69
+ 2 5 'Structure model' '_database_2.pdbx_database_accession'
70
+ 3 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_asym_id'
71
+ 4 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_comp_id'
72
+ 5 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id'
73
+ 6 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_asym_id'
74
+ 7 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_atom_id'
75
+ 8 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_comp_id'
76
+ 9 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_seq_id'
77
+ 10 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_symmetry'
78
+ 11 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_asym_id'
79
+ 12 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id'
80
+ 13 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id'
81
+ 14 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id'
82
+ 15 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id'
83
+ 16 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id'
84
+ 17 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id'
85
+ 18 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_symmetry'
86
+ 19 5 'Structure model' '_pdbx_struct_conn_angle.value'
87
+ 20 5 'Structure model' '_struct_conn.pdbx_dist_value'
88
+ 21 5 'Structure model' '_struct_conn.ptnr1_auth_asym_id'
89
+ 22 5 'Structure model' '_struct_conn.ptnr1_auth_comp_id'
90
+ 23 5 'Structure model' '_struct_conn.ptnr1_auth_seq_id'
91
+ 24 5 'Structure model' '_struct_conn.ptnr1_label_asym_id'
92
+ 25 5 'Structure model' '_struct_conn.ptnr1_label_atom_id'
93
+ 26 5 'Structure model' '_struct_conn.ptnr1_label_comp_id'
94
+ 27 5 'Structure model' '_struct_conn.ptnr1_label_seq_id'
95
+ 28 5 'Structure model' '_struct_conn.ptnr1_symmetry'
96
+ 29 5 'Structure model' '_struct_conn.ptnr2_auth_asym_id'
97
+ 30 5 'Structure model' '_struct_conn.ptnr2_auth_comp_id'
98
+ 31 5 'Structure model' '_struct_conn.ptnr2_auth_seq_id'
99
+ 32 5 'Structure model' '_struct_conn.ptnr2_label_asym_id'
100
+ 33 5 'Structure model' '_struct_conn.ptnr2_label_atom_id'
101
+ 34 5 'Structure model' '_struct_conn.ptnr2_label_comp_id'
102
+ 35 5 'Structure model' '_struct_conn.ptnr2_label_seq_id'
103
+ 36 5 'Structure model' '_struct_conn.ptnr2_symmetry'
104
+ 37 5 'Structure model' '_struct_site.pdbx_auth_asym_id'
105
+ 38 5 'Structure model' '_struct_site.pdbx_auth_comp_id'
106
+ 39 5 'Structure model' '_struct_site.pdbx_auth_seq_id'
107
+ #
108
+ _pdbx_database_status.status_code REL
109
+ _pdbx_database_status.entry_id 1DQF
110
+ _pdbx_database_status.recvd_initial_deposition_date 2000-01-04
111
+ _pdbx_database_status.deposit_site RCSB
112
+ _pdbx_database_status.process_site RCSB
113
+ _pdbx_database_status.status_code_sf REL
114
+ _pdbx_database_status.SG_entry .
115
+ _pdbx_database_status.status_code_mr ?
116
+ _pdbx_database_status.status_code_cs ?
117
+ _pdbx_database_status.pdb_format_compatible Y
118
+ _pdbx_database_status.status_code_nmr_data ?
119
+ _pdbx_database_status.methods_development_category ?
120
+ #
121
+ _pdbx_database_related.db_name PDB
122
+ _pdbx_database_related.db_id 1DQH
123
+ _pdbx_database_related.details .
124
+ _pdbx_database_related.content_type unspecified
125
+ #
126
+ loop_
127
+ _audit_author.name
128
+ _audit_author.pdbx_ordinal
129
+ 'Xiong, Y.' 1
130
+ 'Sundaralingam, M.' 2
131
+ #
132
+ _citation.id primary
133
+ _citation.title 'Two crystal forms of helix II of Xenopus laevis 5S rRNA with a cytosine bulge.'
134
+ _citation.journal_abbrev RNA
135
+ _citation.journal_volume 6
136
+ _citation.page_first 1316
137
+ _citation.page_last 1324
138
+ _citation.year 2000
139
+ _citation.journal_id_ASTM RNARFU
140
+ _citation.country UK
141
+ _citation.journal_id_ISSN 1355-8382
142
+ _citation.journal_id_CSD 2122
143
+ _citation.book_publisher ?
144
+ _citation.pdbx_database_id_PubMed 10999608
145
+ _citation.pdbx_database_id_DOI 10.1017/S135583820000090X
146
+ #
147
+ loop_
148
+ _citation_author.citation_id
149
+ _citation_author.name
150
+ _citation_author.ordinal
151
+ _citation_author.identifier_ORCID
152
+ primary 'Xiong, Y.' 1 ?
153
+ primary 'Sundaralingam, M.' 2 ?
154
+ #
155
+ loop_
156
+ _entity.id
157
+ _entity.type
158
+ _entity.src_method
159
+ _entity.pdbx_description
160
+ _entity.formula_weight
161
+ _entity.pdbx_number_of_molecules
162
+ _entity.pdbx_ec
163
+ _entity.pdbx_mutation
164
+ _entity.pdbx_fragment
165
+ _entity.details
166
+ 1 polymer syn
167
+ ;RNA (5'-R(*GP*CP*CP*AP*CP*CP*CP*UP*G)-3')
168
+ ;
169
+ 2806.735 1 ? ? 'HELIX II OF 5S RRNA' ?
170
+ 2 polymer syn
171
+ ;RNA (5'-R(*CP*AP*GP*GP*GP*UP*CP*GP*GP*C)-3')
172
+ ;
173
+ 3231.988 1 ? ? ? ?
174
+ 3 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ?
175
+ 4 water nat water 18.015 38 ? ? ? ?
176
+ #
177
+ loop_
178
+ _entity_poly.entity_id
179
+ _entity_poly.type
180
+ _entity_poly.nstd_linkage
181
+ _entity_poly.nstd_monomer
182
+ _entity_poly.pdbx_seq_one_letter_code
183
+ _entity_poly.pdbx_seq_one_letter_code_can
184
+ _entity_poly.pdbx_strand_id
185
+ _entity_poly.pdbx_target_identifier
186
+ 1 polyribonucleotide no no GCCACCCUG GCCACCCUG A ?
187
+ 2 polyribonucleotide no no CAGGGUCGGC CAGGGUCGGC B ?
188
+ #
189
+ loop_
190
+ _pdbx_entity_nonpoly.entity_id
191
+ _pdbx_entity_nonpoly.name
192
+ _pdbx_entity_nonpoly.comp_id
193
+ 3 'CALCIUM ION' CA
194
+ 4 water HOH
195
+ #
196
+ loop_
197
+ _entity_poly_seq.entity_id
198
+ _entity_poly_seq.num
199
+ _entity_poly_seq.mon_id
200
+ _entity_poly_seq.hetero
201
+ 1 1 G n
202
+ 1 2 C n
203
+ 1 3 C n
204
+ 1 4 A n
205
+ 1 5 C n
206
+ 1 6 C n
207
+ 1 7 C n
208
+ 1 8 U n
209
+ 1 9 G n
210
+ 2 1 C n
211
+ 2 2 A n
212
+ 2 3 G n
213
+ 2 4 G n
214
+ 2 5 G n
215
+ 2 6 U n
216
+ 2 7 C n
217
+ 2 8 G n
218
+ 2 9 G n
219
+ 2 10 C n
220
+ #
221
+ loop_
222
+ _chem_comp.id
223
+ _chem_comp.type
224
+ _chem_comp.mon_nstd_flag
225
+ _chem_comp.name
226
+ _chem_comp.pdbx_synonyms
227
+ _chem_comp.formula
228
+ _chem_comp.formula_weight
229
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
230
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
231
+ CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078
232
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
233
+ HOH non-polymer . WATER ? 'H2 O' 18.015
234
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
235
+ #
236
+ loop_
237
+ _pdbx_poly_seq_scheme.asym_id
238
+ _pdbx_poly_seq_scheme.entity_id
239
+ _pdbx_poly_seq_scheme.seq_id
240
+ _pdbx_poly_seq_scheme.mon_id
241
+ _pdbx_poly_seq_scheme.ndb_seq_num
242
+ _pdbx_poly_seq_scheme.pdb_seq_num
243
+ _pdbx_poly_seq_scheme.auth_seq_num
244
+ _pdbx_poly_seq_scheme.pdb_mon_id
245
+ _pdbx_poly_seq_scheme.auth_mon_id
246
+ _pdbx_poly_seq_scheme.pdb_strand_id
247
+ _pdbx_poly_seq_scheme.pdb_ins_code
248
+ _pdbx_poly_seq_scheme.hetero
249
+ A 1 1 G 1 1 1 G G A . n
250
+ A 1 2 C 2 2 2 C C A . n
251
+ A 1 3 C 3 3 3 C C A . n
252
+ A 1 4 A 4 4 4 A A A . n
253
+ A 1 5 C 5 5 5 C C A . n
254
+ A 1 6 C 6 6 6 C C A . n
255
+ A 1 7 C 7 7 7 C C A . n
256
+ A 1 8 U 8 8 8 U U A . n
257
+ A 1 9 G 9 9 9 G G A . n
258
+ B 2 1 C 1 10 10 C C B . n
259
+ B 2 2 A 2 11 11 A A B . n
260
+ B 2 3 G 3 12 12 G G B . n
261
+ B 2 4 G 4 13 13 G G B . n
262
+ B 2 5 G 5 14 14 G G B . n
263
+ B 2 6 U 6 15 15 U U B . n
264
+ B 2 7 C 7 16 16 C C B . n
265
+ B 2 8 G 8 17 17 G G B . n
266
+ B 2 9 G 9 18 18 G G B . n
267
+ B 2 10 C 10 19 19 C C B . n
268
+ #
269
+ loop_
270
+ _pdbx_nonpoly_scheme.asym_id
271
+ _pdbx_nonpoly_scheme.entity_id
272
+ _pdbx_nonpoly_scheme.mon_id
273
+ _pdbx_nonpoly_scheme.ndb_seq_num
274
+ _pdbx_nonpoly_scheme.pdb_seq_num
275
+ _pdbx_nonpoly_scheme.auth_seq_num
276
+ _pdbx_nonpoly_scheme.pdb_mon_id
277
+ _pdbx_nonpoly_scheme.auth_mon_id
278
+ _pdbx_nonpoly_scheme.pdb_strand_id
279
+ _pdbx_nonpoly_scheme.pdb_ins_code
280
+ C 3 CA 1 201 201 CA CA B .
281
+ D 3 CA 1 202 202 CA CA B .
282
+ E 4 HOH 1 102 102 HOH WAT A .
283
+ E 4 HOH 2 113 113 HOH WAT A .
284
+ E 4 HOH 3 114 114 HOH WAT A .
285
+ E 4 HOH 4 115 115 HOH WAT A .
286
+ E 4 HOH 5 123 123 HOH WAT A .
287
+ E 4 HOH 6 124 124 HOH WAT A .
288
+ E 4 HOH 7 125 125 HOH WAT A .
289
+ E 4 HOH 8 127 127 HOH WAT A .
290
+ E 4 HOH 9 128 128 HOH WAT A .
291
+ E 4 HOH 10 132 132 HOH WAT A .
292
+ E 4 HOH 11 134 134 HOH WAT A .
293
+ E 4 HOH 12 137 137 HOH WAT A .
294
+ F 4 HOH 1 101 101 HOH WAT B .
295
+ F 4 HOH 2 103 103 HOH WAT B .
296
+ F 4 HOH 3 104 104 HOH WAT B .
297
+ F 4 HOH 4 105 105 HOH WAT B .
298
+ F 4 HOH 5 106 106 HOH WAT B .
299
+ F 4 HOH 6 107 107 HOH WAT B .
300
+ F 4 HOH 7 108 108 HOH WAT B .
301
+ F 4 HOH 8 109 109 HOH WAT B .
302
+ F 4 HOH 9 110 110 HOH WAT B .
303
+ F 4 HOH 10 111 111 HOH WAT B .
304
+ F 4 HOH 11 112 112 HOH WAT B .
305
+ F 4 HOH 12 116 116 HOH WAT B .
306
+ F 4 HOH 13 117 117 HOH WAT B .
307
+ F 4 HOH 14 118 118 HOH WAT B .
308
+ F 4 HOH 15 119 119 HOH WAT B .
309
+ F 4 HOH 16 120 120 HOH WAT B .
310
+ F 4 HOH 17 121 121 HOH WAT B .
311
+ F 4 HOH 18 122 122 HOH WAT B .
312
+ F 4 HOH 19 126 126 HOH WAT B .
313
+ F 4 HOH 20 129 129 HOH WAT B .
314
+ F 4 HOH 21 130 130 HOH WAT B .
315
+ F 4 HOH 22 131 131 HOH WAT B .
316
+ F 4 HOH 23 133 133 HOH WAT B .
317
+ F 4 HOH 24 135 135 HOH WAT B .
318
+ F 4 HOH 25 136 136 HOH WAT B .
319
+ F 4 HOH 26 138 138 HOH WAT B .
320
+ #
321
+ loop_
322
+ _software.name
323
+ _software.classification
324
+ _software.version
325
+ _software.citation_id
326
+ _software.pdbx_ordinal
327
+ AMoRE phasing . ? 1
328
+ CNS refinement 0.9 ? 2
329
+ DENZO 'data reduction' . ? 3
330
+ SCALEPACK 'data scaling' . ? 4
331
+ #
332
+ _cell.entry_id 1DQF
333
+ _cell.length_a 57.15
334
+ _cell.length_b 57.15
335
+ _cell.length_c 43.54
336
+ _cell.angle_alpha 90.0
337
+ _cell.angle_beta 90.0
338
+ _cell.angle_gamma 90.0
339
+ _cell.Z_PDB 8
340
+ _cell.pdbx_unique_axis ?
341
+ _cell.length_a_esd ?
342
+ _cell.length_b_esd ?
343
+ _cell.length_c_esd ?
344
+ _cell.angle_alpha_esd ?
345
+ _cell.angle_beta_esd ?
346
+ _cell.angle_gamma_esd ?
347
+ #
348
+ _symmetry.entry_id 1DQF
349
+ _symmetry.space_group_name_H-M 'P 42 21 2'
350
+ _symmetry.pdbx_full_space_group_name_H-M ?
351
+ _symmetry.cell_setting tetragonal
352
+ _symmetry.Int_Tables_number 94
353
+ _symmetry.space_group_name_Hall ?
354
+ #
355
+ _exptl.entry_id 1DQF
356
+ _exptl.method 'X-RAY DIFFRACTION'
357
+ _exptl.crystals_number 1
358
+ #
359
+ _exptl_crystal.id 1
360
+ _exptl_crystal.density_meas ?
361
+ _exptl_crystal.density_percent_sol 58.21
362
+ _exptl_crystal.density_Matthews 2.94
363
+ _exptl_crystal.description ?
364
+ _exptl_crystal.F_000 ?
365
+ _exptl_crystal.preparation ?
366
+ #
367
+ _exptl_crystal_grow.crystal_id 1
368
+ _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
369
+ _exptl_crystal_grow.temp 298
370
+ _exptl_crystal_grow.temp_details ?
371
+ _exptl_crystal_grow.pH 6.0
372
+ _exptl_crystal_grow.pdbx_details 'MGCL2, CACL2, CACODYLATE, MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K'
373
+ _exptl_crystal_grow.pdbx_pH_range ?
374
+ #
375
+ loop_
376
+ _exptl_crystal_grow_comp.crystal_id
377
+ _exptl_crystal_grow_comp.id
378
+ _exptl_crystal_grow_comp.sol_id
379
+ _exptl_crystal_grow_comp.name
380
+ _exptl_crystal_grow_comp.volume
381
+ _exptl_crystal_grow_comp.conc
382
+ _exptl_crystal_grow_comp.details
383
+ 1 1 1 MGCL2 ? ? ?
384
+ 1 2 1 CACL2 ? ? ?
385
+ 1 3 1 CACODYLATE ? ? ?
386
+ 1 4 1 MPD ? ? ?
387
+ 1 5 2 MPD ? ? ?
388
+ #
389
+ _diffrn.id 1
390
+ _diffrn.ambient_temp 263
391
+ _diffrn.ambient_temp_details ?
392
+ _diffrn.crystal_id 1
393
+ #
394
+ _diffrn_detector.diffrn_id 1
395
+ _diffrn_detector.detector 'IMAGE PLATE'
396
+ _diffrn_detector.type 'RIGAKU RAXIS IIC'
397
+ _diffrn_detector.pdbx_collection_date ?
398
+ _diffrn_detector.details ?
399
+ #
400
+ _diffrn_radiation.diffrn_id 1
401
+ _diffrn_radiation.wavelength_id 1
402
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
403
+ _diffrn_radiation.monochromator ?
404
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
405
+ _diffrn_radiation.pdbx_scattering_type x-ray
406
+ #
407
+ _diffrn_radiation_wavelength.id 1
408
+ _diffrn_radiation_wavelength.wavelength 1.5418
409
+ _diffrn_radiation_wavelength.wt 1.0
410
+ #
411
+ _diffrn_source.diffrn_id 1
412
+ _diffrn_source.source 'ROTATING ANODE'
413
+ _diffrn_source.type 'RIGAKU RU300'
414
+ _diffrn_source.pdbx_synchrotron_site ?
415
+ _diffrn_source.pdbx_synchrotron_beamline ?
416
+ _diffrn_source.pdbx_wavelength 1.5418
417
+ _diffrn_source.pdbx_wavelength_list ?
418
+ #
419
+ _reflns.entry_id 1DQF
420
+ _reflns.observed_criterion_sigma_I 1.0
421
+ _reflns.observed_criterion_sigma_F 2.0
422
+ _reflns.d_resolution_low 25.57
423
+ _reflns.d_resolution_high 2.2
424
+ _reflns.number_obs 3757
425
+ _reflns.number_all 3962
426
+ _reflns.percent_possible_obs 94.8
427
+ _reflns.pdbx_Rmerge_I_obs 0.0770000
428
+ _reflns.pdbx_Rsym_value ?
429
+ _reflns.pdbx_netI_over_sigmaI 14
430
+ _reflns.B_iso_Wilson_estimate ?
431
+ _reflns.pdbx_redundancy 5.6
432
+ _reflns.R_free_details ?
433
+ _reflns.pdbx_chi_squared ?
434
+ _reflns.pdbx_scaling_rejects ?
435
+ _reflns.pdbx_diffrn_id 1
436
+ _reflns.pdbx_ordinal 1
437
+ #
438
+ _refine.entry_id 1DQF
439
+ _refine.ls_number_reflns_obs 3757
440
+ _refine.ls_number_reflns_all 3962
441
+ _refine.pdbx_ls_sigma_I ?
442
+ _refine.pdbx_ls_sigma_F 2.0
443
+ _refine.pdbx_data_cutoff_high_absF ?
444
+ _refine.pdbx_data_cutoff_low_absF ?
445
+ _refine.pdbx_data_cutoff_high_rms_absF ?
446
+ _refine.ls_d_res_low 10.0
447
+ _refine.ls_d_res_high 2.2
448
+ _refine.ls_percent_reflns_obs 94.9
449
+ _refine.ls_R_factor_obs 0.2040000
450
+ _refine.ls_R_factor_all ?
451
+ _refine.ls_R_factor_R_work 0.2040000
452
+ _refine.ls_R_factor_R_free 0.2210000
453
+ _refine.ls_R_factor_R_free_error ?
454
+ _refine.ls_R_factor_R_free_error_details ?
455
+ _refine.ls_percent_reflns_R_free 8.5
456
+ _refine.ls_number_reflns_R_free 404
457
+ _refine.ls_number_parameters ?
458
+ _refine.ls_number_restraints ?
459
+ _refine.occupancy_min ?
460
+ _refine.occupancy_max ?
461
+ _refine.B_iso_mean ?
462
+ _refine.aniso_B[1][1] ?
463
+ _refine.aniso_B[2][2] ?
464
+ _refine.aniso_B[3][3] ?
465
+ _refine.aniso_B[1][2] ?
466
+ _refine.aniso_B[1][3] ?
467
+ _refine.aniso_B[2][3] ?
468
+ _refine.solvent_model_details ?
469
+ _refine.solvent_model_param_ksol ?
470
+ _refine.solvent_model_param_bsol ?
471
+ _refine.pdbx_ls_cross_valid_method THROUGHOUT
472
+ _refine.details ?
473
+ _refine.pdbx_starting_model ?
474
+ _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
475
+ _refine.pdbx_isotropic_thermal_model ?
476
+ _refine.pdbx_stereochemistry_target_values CNS
477
+ _refine.pdbx_stereochem_target_val_spec_case ?
478
+ _refine.pdbx_R_Free_selection_details RANDOM
479
+ _refine.pdbx_overall_ESU_R_Free ?
480
+ _refine.overall_SU_ML ?
481
+ _refine.overall_SU_B ?
482
+ _refine.ls_redundancy_reflns_obs ?
483
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
484
+ _refine.pdbx_overall_ESU_R ?
485
+ _refine.pdbx_overall_phase_error ?
486
+ _refine.correlation_coeff_Fo_to_Fc ?
487
+ _refine.correlation_coeff_Fo_to_Fc_free ?
488
+ _refine.pdbx_solvent_vdw_probe_radii ?
489
+ _refine.pdbx_solvent_ion_probe_radii ?
490
+ _refine.pdbx_solvent_shrinkage_radii ?
491
+ _refine.overall_SU_R_Cruickshank_DPI ?
492
+ _refine.overall_SU_R_free ?
493
+ _refine.ls_wR_factor_R_free ?
494
+ _refine.ls_wR_factor_R_work ?
495
+ _refine.overall_FOM_free_R_set ?
496
+ _refine.overall_FOM_work_R_set ?
497
+ _refine.pdbx_diffrn_id 1
498
+ _refine.pdbx_TLS_residual_ADP_flag ?
499
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
500
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
501
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
502
+ #
503
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
504
+ _refine_hist.cycle_id LAST
505
+ _refine_hist.pdbx_number_atoms_protein 0
506
+ _refine_hist.pdbx_number_atoms_nucleic_acid 399
507
+ _refine_hist.pdbx_number_atoms_ligand 2
508
+ _refine_hist.number_atoms_solvent 38
509
+ _refine_hist.number_atoms_total 439
510
+ _refine_hist.d_res_high 2.2
511
+ _refine_hist.d_res_low 10.0
512
+ #
513
+ loop_
514
+ _refine_ls_restr.type
515
+ _refine_ls_restr.dev_ideal
516
+ _refine_ls_restr.dev_ideal_target
517
+ _refine_ls_restr.weight
518
+ _refine_ls_restr.number
519
+ _refine_ls_restr.pdbx_refine_id
520
+ _refine_ls_restr.pdbx_restraint_function
521
+ c_bond_d 0.008 ? ? ? 'X-RAY DIFFRACTION' ?
522
+ c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
523
+ c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
524
+ c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
525
+ c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
526
+ c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
527
+ c_angle_deg 1.26 ? ? ? 'X-RAY DIFFRACTION' ?
528
+ c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
529
+ c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
530
+ c_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
531
+ c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
532
+ c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
533
+ c_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
534
+ c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
535
+ c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
536
+ c_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
537
+ c_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
538
+ c_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
539
+ c_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
540
+ #
541
+ _database_PDB_matrix.entry_id 1DQF
542
+ _database_PDB_matrix.origx[1][1] 1.000000
543
+ _database_PDB_matrix.origx[1][2] 0.000000
544
+ _database_PDB_matrix.origx[1][3] 0.000000
545
+ _database_PDB_matrix.origx[2][1] 0.000000
546
+ _database_PDB_matrix.origx[2][2] 1.000000
547
+ _database_PDB_matrix.origx[2][3] 0.000000
548
+ _database_PDB_matrix.origx[3][1] 0.000000
549
+ _database_PDB_matrix.origx[3][2] 0.000000
550
+ _database_PDB_matrix.origx[3][3] 1.000000
551
+ _database_PDB_matrix.origx_vector[1] 0.00000
552
+ _database_PDB_matrix.origx_vector[2] 0.00000
553
+ _database_PDB_matrix.origx_vector[3] 0.00000
554
+ #
555
+ _struct.entry_id 1DQF
556
+ _struct.title
557
+ 'CRYSTAL STRUCTURE OF HELIX II OF THE X. LAEVIS SOMATIC 5S RRNA WITH A CYTOSINE BULGE IN TWO CONFORMATIONS'
558
+ _struct.pdbx_model_details ?
559
+ _struct.pdbx_CASP_flag ?
560
+ _struct.pdbx_model_type_details ?
561
+ #
562
+ _struct_keywords.entry_id 1DQF
563
+ _struct_keywords.pdbx_keywords RNA
564
+ _struct_keywords.text 'DOUBLE HELIX, CYTOSINE BULGE, RNA'
565
+ #
566
+ loop_
567
+ _struct_asym.id
568
+ _struct_asym.pdbx_blank_PDB_chainid_flag
569
+ _struct_asym.pdbx_modified
570
+ _struct_asym.entity_id
571
+ _struct_asym.details
572
+ A N N 1 ?
573
+ B N N 2 ?
574
+ C N N 3 ?
575
+ D N N 3 ?
576
+ E N N 4 ?
577
+ F N N 4 ?
578
+ #
579
+ loop_
580
+ _struct_ref.id
581
+ _struct_ref.entity_id
582
+ _struct_ref.db_name
583
+ _struct_ref.db_code
584
+ _struct_ref.pdbx_db_accession
585
+ _struct_ref.pdbx_align_begin
586
+ _struct_ref.pdbx_seq_one_letter_code
587
+ _struct_ref.pdbx_db_isoform
588
+ 1 1 PDB 1DQF 1DQF ? ? ?
589
+ 2 2 PDB 1DQF 1DQF ? ? ?
590
+ #
591
+ loop_
592
+ _struct_ref_seq.align_id
593
+ _struct_ref_seq.ref_id
594
+ _struct_ref_seq.pdbx_PDB_id_code
595
+ _struct_ref_seq.pdbx_strand_id
596
+ _struct_ref_seq.seq_align_beg
597
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code
598
+ _struct_ref_seq.seq_align_end
599
+ _struct_ref_seq.pdbx_seq_align_end_ins_code
600
+ _struct_ref_seq.pdbx_db_accession
601
+ _struct_ref_seq.db_align_beg
602
+ _struct_ref_seq.pdbx_db_align_beg_ins_code
603
+ _struct_ref_seq.db_align_end
604
+ _struct_ref_seq.pdbx_db_align_end_ins_code
605
+ _struct_ref_seq.pdbx_auth_seq_align_beg
606
+ _struct_ref_seq.pdbx_auth_seq_align_end
607
+ 1 1 1DQF A 1 ? 9 ? 1DQF 1 ? 9 ? 1 9
608
+ 2 2 1DQF B 1 ? 10 ? 1DQF 10 ? 19 ? 10 19
609
+ #
610
+ _pdbx_struct_assembly.id 1
611
+ _pdbx_struct_assembly.details author_defined_assembly
612
+ _pdbx_struct_assembly.method_details ?
613
+ _pdbx_struct_assembly.oligomeric_details dimeric
614
+ _pdbx_struct_assembly.oligomeric_count 2
615
+ #
616
+ _pdbx_struct_assembly_gen.assembly_id 1
617
+ _pdbx_struct_assembly_gen.oper_expression 1
618
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F
619
+ #
620
+ _pdbx_struct_oper_list.id 1
621
+ _pdbx_struct_oper_list.type 'identity operation'
622
+ _pdbx_struct_oper_list.name 1_555
623
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
624
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
625
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
626
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
627
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
628
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
629
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
630
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
631
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
632
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
633
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
634
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
635
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
636
+ #
637
+ _struct_biol.id 1
638
+ _struct_biol.pdbx_parent_biol_id ?
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
+ metalc1 metalc ? ? A U 8 OP1 ? ? ? 5_645 C CA . CA ? ? A U 8 B CA 201 1_555 ? ? ? ? ? ? ? 2.437 ? ?
678
+ metalc2 metalc ? ? A G 9 OP1 ? ? ? 5_645 D CA . CA ? ? A G 9 B CA 202 1_555 ? ? ? ? ? ? ? 2.166 ? ?
679
+ metalc3 metalc ? ? A G 9 OP1 ? ? ? 3_645 D CA . CA ? ? A G 9 B CA 202 1_555 ? ? ? ? ? ? ? 2.166 ? ?
680
+ metalc4 metalc ? ? B C 10 "O3'" ? ? ? 1_555 C CA . CA ? ? B C 19 B CA 201 1_555 ? ? ? ? ? ? ? 2.361 ? ?
681
+ metalc5 metalc ? ? B C 10 "O2'" ? ? ? 1_555 C CA . CA ? ? B C 19 B CA 201 1_555 ? ? ? ? ? ? ? 2.643 ? ?
682
+ metalc6 metalc ? ? B C 10 OP1 ? ? ? 1_555 D CA . CA ? ? B C 19 B CA 202 1_555 ? ? ? ? ? ? ? 2.253 ? ?
683
+ metalc7 metalc ? ? B C 10 OP1 ? ? ? 8_666 D CA . CA ? ? B C 19 B CA 202 1_555 ? ? ? ? ? ? ? 2.253 ? ?
684
+ metalc8 metalc ? ? F HOH . O ? ? ? 1_555 C CA . CA ? ? B HOH 101 B CA 201 1_555 ? ? ? ? ? ? ? 2.493 ? ?
685
+ metalc9 metalc ? ? F HOH . O ? ? ? 1_555 C CA . CA ? ? B HOH 105 B CA 201 1_555 ? ? ? ? ? ? ? 2.217 ? ?
686
+ metalc10 metalc ? ? F HOH . O ? ? ? 1_555 C CA . CA ? ? B HOH 106 B CA 201 1_555 ? ? ? ? ? ? ? 2.323 ? ?
687
+ metalc11 metalc ? ? F HOH . O ? ? ? 1_555 D CA . CA ? ? B HOH 107 B CA 202 1_555 ? ? ? ? ? ? ? 2.287 ? ?
688
+ metalc12 metalc ? ? F HOH . O ? ? ? 8_666 D CA . CA ? ? B HOH 107 B CA 202 1_555 ? ? ? ? ? ? ? 2.287 ? ?
689
+ metalc13 metalc ? ? F HOH . O ? ? ? 1_555 C CA . CA ? ? B HOH 120 B CA 201 1_555 ? ? ? ? ? ? ? 2.304 ? ?
690
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 B C 10 N3 ? ? A G 1 B C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
691
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 B C 10 O2 ? ? A G 1 B C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
692
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 B C 10 N4 ? ? A G 1 B C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
693
+ hydrog4 hydrog ? ? A C 2 N3 ? ? ? 1_555 B G 9 N1 ? ? A C 2 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
694
+ hydrog5 hydrog ? ? A C 2 N4 ? ? ? 1_555 B G 9 O6 ? ? A C 2 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
695
+ hydrog6 hydrog ? ? A C 2 O2 ? ? ? 1_555 B G 9 N2 ? ? A C 2 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
696
+ hydrog7 hydrog ? ? A C 3 N3 ? ? ? 1_555 B G 8 N1 ? ? A C 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
697
+ hydrog8 hydrog ? ? A C 3 N4 ? ? ? 1_555 B G 8 O6 ? ? A C 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
698
+ hydrog9 hydrog ? ? A C 3 O2 ? ? ? 1_555 B G 8 N2 ? ? A C 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
699
+ hydrog10 hydrog ? ? A A 4 N1 ? ? ? 1_555 B U 6 N3 ? ? A A 4 B U 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
700
+ hydrog11 hydrog ? ? A A 4 N6 ? ? ? 1_555 B U 6 O4 ? ? A A 4 B U 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
701
+ hydrog12 hydrog ? ? A C 5 N3 ? ? ? 1_555 B G 5 N1 ? ? A C 5 B G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
702
+ hydrog13 hydrog ? ? A C 5 N4 ? ? ? 1_555 B G 5 O6 ? ? A C 5 B G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
703
+ hydrog14 hydrog ? ? A C 5 O2 ? ? ? 1_555 B G 5 N2 ? ? A C 5 B G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
704
+ hydrog15 hydrog ? ? A C 6 N3 ? ? ? 1_555 B G 4 N1 ? ? A C 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
705
+ hydrog16 hydrog ? ? A C 6 N4 ? ? ? 1_555 B G 4 O6 ? ? A C 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
706
+ hydrog17 hydrog ? ? A C 6 O2 ? ? ? 1_555 B G 4 N2 ? ? A C 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
707
+ hydrog18 hydrog ? ? A C 7 N3 ? ? ? 1_555 B G 3 N1 ? ? A C 7 B G 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
708
+ hydrog19 hydrog ? ? A C 7 N4 ? ? ? 1_555 B G 3 O6 ? ? A C 7 B G 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
709
+ hydrog20 hydrog ? ? A C 7 O2 ? ? ? 1_555 B G 3 N2 ? ? A C 7 B G 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
710
+ hydrog21 hydrog ? ? A U 8 N3 ? ? ? 1_555 B A 2 N1 ? ? A U 8 B A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
711
+ hydrog22 hydrog ? ? A U 8 O4 ? ? ? 1_555 B A 2 N6 ? ? A U 8 B A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
712
+ hydrog23 hydrog ? ? A G 9 N1 ? ? ? 1_555 B C 1 N3 ? ? A G 9 B C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
713
+ hydrog24 hydrog ? ? A G 9 N2 ? ? ? 1_555 B C 1 O2 ? ? A G 9 B C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
714
+ hydrog25 hydrog ? ? A G 9 O6 ? ? ? 1_555 B C 1 N4 ? ? A G 9 B C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
715
+ hydrog26 hydrog ? ? B C 7 N4 ? ? ? 1_555 B G 9 O6 ? ? B C 16 B G 18 7_556 ? ? ? ? ? ? 'C-G PAIR' ? ? ?
716
+ hydrog27 hydrog ? ? B G 9 O6 ? ? ? 1_555 B C 7 N4 ? ? B G 18 B C 16 7_556 ? ? ? ? ? ? 'G-C PAIR' ? ? ?
717
+ #
718
+ loop_
719
+ _struct_conn_type.id
720
+ _struct_conn_type.criteria
721
+ _struct_conn_type.reference
722
+ metalc ? ?
723
+ hydrog ? ?
724
+ #
725
+ loop_
726
+ _pdbx_struct_conn_angle.id
727
+ _pdbx_struct_conn_angle.ptnr1_label_atom_id
728
+ _pdbx_struct_conn_angle.ptnr1_label_alt_id
729
+ _pdbx_struct_conn_angle.ptnr1_label_asym_id
730
+ _pdbx_struct_conn_angle.ptnr1_label_comp_id
731
+ _pdbx_struct_conn_angle.ptnr1_label_seq_id
732
+ _pdbx_struct_conn_angle.ptnr1_auth_atom_id
733
+ _pdbx_struct_conn_angle.ptnr1_auth_asym_id
734
+ _pdbx_struct_conn_angle.ptnr1_auth_comp_id
735
+ _pdbx_struct_conn_angle.ptnr1_auth_seq_id
736
+ _pdbx_struct_conn_angle.ptnr1_PDB_ins_code
737
+ _pdbx_struct_conn_angle.ptnr1_symmetry
738
+ _pdbx_struct_conn_angle.ptnr2_label_atom_id
739
+ _pdbx_struct_conn_angle.ptnr2_label_alt_id
740
+ _pdbx_struct_conn_angle.ptnr2_label_asym_id
741
+ _pdbx_struct_conn_angle.ptnr2_label_comp_id
742
+ _pdbx_struct_conn_angle.ptnr2_label_seq_id
743
+ _pdbx_struct_conn_angle.ptnr2_auth_atom_id
744
+ _pdbx_struct_conn_angle.ptnr2_auth_asym_id
745
+ _pdbx_struct_conn_angle.ptnr2_auth_comp_id
746
+ _pdbx_struct_conn_angle.ptnr2_auth_seq_id
747
+ _pdbx_struct_conn_angle.ptnr2_PDB_ins_code
748
+ _pdbx_struct_conn_angle.ptnr2_symmetry
749
+ _pdbx_struct_conn_angle.ptnr3_label_atom_id
750
+ _pdbx_struct_conn_angle.ptnr3_label_alt_id
751
+ _pdbx_struct_conn_angle.ptnr3_label_asym_id
752
+ _pdbx_struct_conn_angle.ptnr3_label_comp_id
753
+ _pdbx_struct_conn_angle.ptnr3_label_seq_id
754
+ _pdbx_struct_conn_angle.ptnr3_auth_atom_id
755
+ _pdbx_struct_conn_angle.ptnr3_auth_asym_id
756
+ _pdbx_struct_conn_angle.ptnr3_auth_comp_id
757
+ _pdbx_struct_conn_angle.ptnr3_auth_seq_id
758
+ _pdbx_struct_conn_angle.ptnr3_PDB_ins_code
759
+ _pdbx_struct_conn_angle.ptnr3_symmetry
760
+ _pdbx_struct_conn_angle.value
761
+ _pdbx_struct_conn_angle.value_esd
762
+ 1 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 "O3'" ? B C 10 ? B C 19 ? 1_555 100.6 ?
763
+ 2 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 "O2'" ? B C 10 ? B C 19 ? 1_555 83.6 ?
764
+ 3 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 "O2'" ? B C 10 ? B C 19 ? 1_555 72.1 ?
765
+ 4 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 101 ? 1_555 91.6 ?
766
+ 5 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 101 ? 1_555 74.9 ?
767
+ 6 "O2'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 101 ? 1_555 145.1 ?
768
+ 7 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 105 ? 1_555 164.2 ?
769
+ 8 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 105 ? 1_555 89.7 ?
770
+ 9 "O2'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 105 ? 1_555 88.3 ?
771
+ 10 O ? F HOH . ? B HOH 101 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 105 ? 1_555 102.8 ?
772
+ 11 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 82.3 ?
773
+ 12 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 143.2 ?
774
+ 13 "O2'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 71.8 ?
775
+ 14 O ? F HOH . ? B HOH 101 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 141.9 ?
776
+ 15 O ? F HOH . ? B HOH 105 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 82.2 ?
777
+ 16 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 101.1 ?
778
+ 17 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 142.2 ?
779
+ 18 "O2'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 141.0 ?
780
+ 19 O ? F HOH . ? B HOH 101 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 73.9 ?
781
+ 20 O ? F HOH . ? B HOH 105 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 76.9 ?
782
+ 21 O ? F HOH . ? B HOH 106 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 70.5 ?
783
+ 22 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? A G 9 ? A G 9 ? 3_645 102.9 ?
784
+ 23 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 1_555 90.3 ?
785
+ 24 OP1 ? A G 9 ? A G 9 ? 3_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 1_555 98.2 ?
786
+ 25 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 8_666 98.2 ?
787
+ 26 OP1 ? A G 9 ? A G 9 ? 3_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 8_666 90.3 ?
788
+ 27 OP1 ? B C 10 ? B C 19 ? 1_555 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 8_666 166.4 ?
789
+ 28 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 1_555 168.2 ?
790
+ 29 OP1 ? A G 9 ? A G 9 ? 3_645 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 1_555 88.0 ?
791
+ 30 OP1 ? B C 10 ? B C 19 ? 1_555 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 1_555 83.6 ?
792
+ 31 OP1 ? B C 10 ? B C 19 ? 8_666 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 1_555 86.1 ?
793
+ 32 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 88.0 ?
794
+ 33 OP1 ? A G 9 ? A G 9 ? 3_645 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 168.2 ?
795
+ 34 OP1 ? B C 10 ? B C 19 ? 1_555 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 86.1 ?
796
+ 35 OP1 ? B C 10 ? B C 19 ? 8_666 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 83.6 ?
797
+ 36 O ? F HOH . ? B HOH 107 ? 1_555 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 81.6 ?
798
+ #
799
+ loop_
800
+ _struct_site.id
801
+ _struct_site.pdbx_evidence_code
802
+ _struct_site.pdbx_auth_asym_id
803
+ _struct_site.pdbx_auth_comp_id
804
+ _struct_site.pdbx_auth_seq_id
805
+ _struct_site.pdbx_auth_ins_code
806
+ _struct_site.pdbx_num_residues
807
+ _struct_site.details
808
+ AC1 Software B CA 201 ? 6 'BINDING SITE FOR RESIDUE CA B 201'
809
+ AC2 Software B CA 202 ? 6 'BINDING SITE FOR RESIDUE CA B 202'
810
+ #
811
+ loop_
812
+ _struct_site_gen.id
813
+ _struct_site_gen.site_id
814
+ _struct_site_gen.pdbx_num_res
815
+ _struct_site_gen.label_comp_id
816
+ _struct_site_gen.label_asym_id
817
+ _struct_site_gen.label_seq_id
818
+ _struct_site_gen.pdbx_auth_ins_code
819
+ _struct_site_gen.auth_comp_id
820
+ _struct_site_gen.auth_asym_id
821
+ _struct_site_gen.auth_seq_id
822
+ _struct_site_gen.label_atom_id
823
+ _struct_site_gen.label_alt_id
824
+ _struct_site_gen.symmetry
825
+ _struct_site_gen.details
826
+ 1 AC1 6 U A 8 ? U A 8 . ? 5_645 ?
827
+ 2 AC1 6 C B 10 ? C B 19 . ? 1_555 ?
828
+ 3 AC1 6 HOH F . ? HOH B 101 . ? 1_555 ?
829
+ 4 AC1 6 HOH F . ? HOH B 105 . ? 1_555 ?
830
+ 5 AC1 6 HOH F . ? HOH B 106 . ? 1_555 ?
831
+ 6 AC1 6 HOH F . ? HOH B 120 . ? 1_555 ?
832
+ 7 AC2 6 G A 9 ? G A 9 . ? 5_645 ?
833
+ 8 AC2 6 G A 9 ? G A 9 . ? 3_645 ?
834
+ 9 AC2 6 C B 10 ? C B 19 . ? 8_666 ?
835
+ 10 AC2 6 C B 10 ? C B 19 . ? 1_555 ?
836
+ 11 AC2 6 HOH F . ? HOH B 107 . ? 1_555 ?
837
+ 12 AC2 6 HOH F . ? HOH B 107 . ? 8_666 ?
838
+ #
839
+ _pdbx_validate_planes.id 1
840
+ _pdbx_validate_planes.PDB_model_num 1
841
+ _pdbx_validate_planes.auth_comp_id G
842
+ _pdbx_validate_planes.auth_asym_id B
843
+ _pdbx_validate_planes.auth_seq_id 14
844
+ _pdbx_validate_planes.PDB_ins_code ?
845
+ _pdbx_validate_planes.label_alt_id ?
846
+ _pdbx_validate_planes.rmsd 0.073
847
+ _pdbx_validate_planes.type 'SIDE CHAIN'
848
+ #
849
+ loop_
850
+ _pdbx_struct_special_symmetry.id
851
+ _pdbx_struct_special_symmetry.PDB_model_num
852
+ _pdbx_struct_special_symmetry.auth_asym_id
853
+ _pdbx_struct_special_symmetry.auth_comp_id
854
+ _pdbx_struct_special_symmetry.auth_seq_id
855
+ _pdbx_struct_special_symmetry.PDB_ins_code
856
+ _pdbx_struct_special_symmetry.label_asym_id
857
+ _pdbx_struct_special_symmetry.label_comp_id
858
+ _pdbx_struct_special_symmetry.label_seq_id
859
+ 1 1 B CA 202 ? D CA .
860
+ 2 1 B HOH 122 ? F HOH .
861
+ #
862
+ loop_
863
+ _chem_comp_atom.comp_id
864
+ _chem_comp_atom.atom_id
865
+ _chem_comp_atom.type_symbol
866
+ _chem_comp_atom.pdbx_aromatic_flag
867
+ _chem_comp_atom.pdbx_stereo_config
868
+ _chem_comp_atom.pdbx_ordinal
869
+ A OP3 O N N 1
870
+ A P P N N 2
871
+ A OP1 O N N 3
872
+ A OP2 O N N 4
873
+ A "O5'" O N N 5
874
+ A "C5'" C N N 6
875
+ A "C4'" C N R 7
876
+ A "O4'" O N N 8
877
+ A "C3'" C N S 9
878
+ A "O3'" O N N 10
879
+ A "C2'" C N R 11
880
+ A "O2'" O N N 12
881
+ A "C1'" C N R 13
882
+ A N9 N Y N 14
883
+ A C8 C Y N 15
884
+ A N7 N Y N 16
885
+ A C5 C Y N 17
886
+ A C6 C Y N 18
887
+ A N6 N N N 19
888
+ A N1 N Y N 20
889
+ A C2 C Y N 21
890
+ A N3 N Y N 22
891
+ A C4 C Y N 23
892
+ A HOP3 H N N 24
893
+ A HOP2 H N N 25
894
+ A "H5'" H N N 26
895
+ A "H5''" H N N 27
896
+ A "H4'" H N N 28
897
+ A "H3'" H N N 29
898
+ A "HO3'" H N N 30
899
+ A "H2'" H N N 31
900
+ A "HO2'" H N N 32
901
+ A "H1'" H N N 33
902
+ A H8 H N N 34
903
+ A H61 H N N 35
904
+ A H62 H N N 36
905
+ A H2 H N N 37
906
+ C OP3 O N N 38
907
+ C P P N N 39
908
+ C OP1 O N N 40
909
+ C OP2 O N N 41
910
+ C "O5'" O N N 42
911
+ C "C5'" C N N 43
912
+ C "C4'" C N R 44
913
+ C "O4'" O N N 45
914
+ C "C3'" C N S 46
915
+ C "O3'" O N N 47
916
+ C "C2'" C N R 48
917
+ C "O2'" O N N 49
918
+ C "C1'" C N R 50
919
+ C N1 N N N 51
920
+ C C2 C N N 52
921
+ C O2 O N N 53
922
+ C N3 N N N 54
923
+ C C4 C N N 55
924
+ C N4 N N N 56
925
+ C C5 C N N 57
926
+ C C6 C N N 58
927
+ C HOP3 H N N 59
928
+ C HOP2 H N N 60
929
+ C "H5'" H N N 61
930
+ C "H5''" H N N 62
931
+ C "H4'" H N N 63
932
+ C "H3'" H N N 64
933
+ C "HO3'" H N N 65
934
+ C "H2'" H N N 66
935
+ C "HO2'" H N N 67
936
+ C "H1'" H N N 68
937
+ C H41 H N N 69
938
+ C H42 H N N 70
939
+ C H5 H N N 71
940
+ C H6 H N N 72
941
+ CA CA CA N N 73
942
+ G OP3 O N N 74
943
+ G P P N N 75
944
+ G OP1 O N N 76
945
+ G OP2 O N N 77
946
+ G "O5'" O N N 78
947
+ G "C5'" C N N 79
948
+ G "C4'" C N R 80
949
+ G "O4'" O N N 81
950
+ G "C3'" C N S 82
951
+ G "O3'" O N N 83
952
+ G "C2'" C N R 84
953
+ G "O2'" O N N 85
954
+ G "C1'" C N R 86
955
+ G N9 N Y N 87
956
+ G C8 C Y N 88
957
+ G N7 N Y N 89
958
+ G C5 C Y N 90
959
+ G C6 C N N 91
960
+ G O6 O N N 92
961
+ G N1 N N N 93
962
+ G C2 C N N 94
963
+ G N2 N N N 95
964
+ G N3 N N N 96
965
+ G C4 C Y N 97
966
+ G HOP3 H N N 98
967
+ G HOP2 H N N 99
968
+ G "H5'" H N N 100
969
+ G "H5''" H N N 101
970
+ G "H4'" H N N 102
971
+ G "H3'" H N N 103
972
+ G "HO3'" H N N 104
973
+ G "H2'" H N N 105
974
+ G "HO2'" H N N 106
975
+ G "H1'" H N N 107
976
+ G H8 H N N 108
977
+ G H1 H N N 109
978
+ G H21 H N N 110
979
+ G H22 H N N 111
980
+ HOH O O N N 112
981
+ HOH H1 H N N 113
982
+ HOH H2 H N N 114
983
+ U OP3 O N N 115
984
+ U P P N N 116
985
+ U OP1 O N N 117
986
+ U OP2 O N N 118
987
+ U "O5'" O N N 119
988
+ U "C5'" C N N 120
989
+ U "C4'" C N R 121
990
+ U "O4'" O N N 122
991
+ U "C3'" C N S 123
992
+ U "O3'" O N N 124
993
+ U "C2'" C N R 125
994
+ U "O2'" O N N 126
995
+ U "C1'" C N R 127
996
+ U N1 N N N 128
997
+ U C2 C N N 129
998
+ U O2 O N N 130
999
+ U N3 N N N 131
1000
+ U C4 C N N 132
1001
+ U O4 O N N 133
1002
+ U C5 C N N 134
1003
+ U C6 C N N 135
1004
+ U HOP3 H N N 136
1005
+ U HOP2 H N N 137
1006
+ U "H5'" H N N 138
1007
+ U "H5''" H N N 139
1008
+ U "H4'" H N N 140
1009
+ U "H3'" H N N 141
1010
+ U "HO3'" H N N 142
1011
+ U "H2'" H N N 143
1012
+ U "HO2'" H N N 144
1013
+ U "H1'" H N N 145
1014
+ U H3 H N N 146
1015
+ U H5 H N N 147
1016
+ U H6 H N N 148
1017
+ #
1018
+ loop_
1019
+ _chem_comp_bond.comp_id
1020
+ _chem_comp_bond.atom_id_1
1021
+ _chem_comp_bond.atom_id_2
1022
+ _chem_comp_bond.value_order
1023
+ _chem_comp_bond.pdbx_aromatic_flag
1024
+ _chem_comp_bond.pdbx_stereo_config
1025
+ _chem_comp_bond.pdbx_ordinal
1026
+ A OP3 P sing N N 1
1027
+ A OP3 HOP3 sing N N 2
1028
+ A P OP1 doub N N 3
1029
+ A P OP2 sing N N 4
1030
+ A P "O5'" sing N N 5
1031
+ A OP2 HOP2 sing N N 6
1032
+ A "O5'" "C5'" sing N N 7
1033
+ A "C5'" "C4'" sing N N 8
1034
+ A "C5'" "H5'" sing N N 9
1035
+ A "C5'" "H5''" sing N N 10
1036
+ A "C4'" "O4'" sing N N 11
1037
+ A "C4'" "C3'" sing N N 12
1038
+ A "C4'" "H4'" sing N N 13
1039
+ A "O4'" "C1'" sing N N 14
1040
+ A "C3'" "O3'" sing N N 15
1041
+ A "C3'" "C2'" sing N N 16
1042
+ A "C3'" "H3'" sing N N 17
1043
+ A "O3'" "HO3'" sing N N 18
1044
+ A "C2'" "O2'" sing N N 19
1045
+ A "C2'" "C1'" sing N N 20
1046
+ A "C2'" "H2'" sing N N 21
1047
+ A "O2'" "HO2'" sing N N 22
1048
+ A "C1'" N9 sing N N 23
1049
+ A "C1'" "H1'" sing N N 24
1050
+ A N9 C8 sing Y N 25
1051
+ A N9 C4 sing Y N 26
1052
+ A C8 N7 doub Y N 27
1053
+ A C8 H8 sing N N 28
1054
+ A N7 C5 sing Y N 29
1055
+ A C5 C6 sing Y N 30
1056
+ A C5 C4 doub Y N 31
1057
+ A C6 N6 sing N N 32
1058
+ A C6 N1 doub Y N 33
1059
+ A N6 H61 sing N N 34
1060
+ A N6 H62 sing N N 35
1061
+ A N1 C2 sing Y N 36
1062
+ A C2 N3 doub Y N 37
1063
+ A C2 H2 sing N N 38
1064
+ A N3 C4 sing Y N 39
1065
+ C OP3 P sing N N 40
1066
+ C OP3 HOP3 sing N N 41
1067
+ C P OP1 doub N N 42
1068
+ C P OP2 sing N N 43
1069
+ C P "O5'" sing N N 44
1070
+ C OP2 HOP2 sing N N 45
1071
+ C "O5'" "C5'" sing N N 46
1072
+ C "C5'" "C4'" sing N N 47
1073
+ C "C5'" "H5'" sing N N 48
1074
+ C "C5'" "H5''" sing N N 49
1075
+ C "C4'" "O4'" sing N N 50
1076
+ C "C4'" "C3'" sing N N 51
1077
+ C "C4'" "H4'" sing N N 52
1078
+ C "O4'" "C1'" sing N N 53
1079
+ C "C3'" "O3'" sing N N 54
1080
+ C "C3'" "C2'" sing N N 55
1081
+ C "C3'" "H3'" sing N N 56
1082
+ C "O3'" "HO3'" sing N N 57
1083
+ C "C2'" "O2'" sing N N 58
1084
+ C "C2'" "C1'" sing N N 59
1085
+ C "C2'" "H2'" sing N N 60
1086
+ C "O2'" "HO2'" sing N N 61
1087
+ C "C1'" N1 sing N N 62
1088
+ C "C1'" "H1'" sing N N 63
1089
+ C N1 C2 sing N N 64
1090
+ C N1 C6 sing N N 65
1091
+ C C2 O2 doub N N 66
1092
+ C C2 N3 sing N N 67
1093
+ C N3 C4 doub N N 68
1094
+ C C4 N4 sing N N 69
1095
+ C C4 C5 sing N N 70
1096
+ C N4 H41 sing N N 71
1097
+ C N4 H42 sing N N 72
1098
+ C C5 C6 doub N N 73
1099
+ C C5 H5 sing N N 74
1100
+ C C6 H6 sing N N 75
1101
+ G OP3 P sing N N 76
1102
+ G OP3 HOP3 sing N N 77
1103
+ G P OP1 doub N N 78
1104
+ G P OP2 sing N N 79
1105
+ G P "O5'" sing N N 80
1106
+ G OP2 HOP2 sing N N 81
1107
+ G "O5'" "C5'" sing N N 82
1108
+ G "C5'" "C4'" sing N N 83
1109
+ G "C5'" "H5'" sing N N 84
1110
+ G "C5'" "H5''" sing N N 85
1111
+ G "C4'" "O4'" sing N N 86
1112
+ G "C4'" "C3'" sing N N 87
1113
+ G "C4'" "H4'" sing N N 88
1114
+ G "O4'" "C1'" sing N N 89
1115
+ G "C3'" "O3'" sing N N 90
1116
+ G "C3'" "C2'" sing N N 91
1117
+ G "C3'" "H3'" sing N N 92
1118
+ G "O3'" "HO3'" sing N N 93
1119
+ G "C2'" "O2'" sing N N 94
1120
+ G "C2'" "C1'" sing N N 95
1121
+ G "C2'" "H2'" sing N N 96
1122
+ G "O2'" "HO2'" sing N N 97
1123
+ G "C1'" N9 sing N N 98
1124
+ G "C1'" "H1'" sing N N 99
1125
+ G N9 C8 sing Y N 100
1126
+ G N9 C4 sing Y N 101
1127
+ G C8 N7 doub Y N 102
1128
+ G C8 H8 sing N N 103
1129
+ G N7 C5 sing Y N 104
1130
+ G C5 C6 sing N N 105
1131
+ G C5 C4 doub Y N 106
1132
+ G C6 O6 doub N N 107
1133
+ G C6 N1 sing N N 108
1134
+ G N1 C2 sing N N 109
1135
+ G N1 H1 sing N N 110
1136
+ G C2 N2 sing N N 111
1137
+ G C2 N3 doub N N 112
1138
+ G N2 H21 sing N N 113
1139
+ G N2 H22 sing N N 114
1140
+ G N3 C4 sing N N 115
1141
+ HOH O H1 sing N N 116
1142
+ HOH O H2 sing N N 117
1143
+ U OP3 P sing N N 118
1144
+ U OP3 HOP3 sing N N 119
1145
+ U P OP1 doub N N 120
1146
+ U P OP2 sing N N 121
1147
+ U P "O5'" sing N N 122
1148
+ U OP2 HOP2 sing N N 123
1149
+ U "O5'" "C5'" sing N N 124
1150
+ U "C5'" "C4'" sing N N 125
1151
+ U "C5'" "H5'" sing N N 126
1152
+ U "C5'" "H5''" sing N N 127
1153
+ U "C4'" "O4'" sing N N 128
1154
+ U "C4'" "C3'" sing N N 129
1155
+ U "C4'" "H4'" sing N N 130
1156
+ U "O4'" "C1'" sing N N 131
1157
+ U "C3'" "O3'" sing N N 132
1158
+ U "C3'" "C2'" sing N N 133
1159
+ U "C3'" "H3'" sing N N 134
1160
+ U "O3'" "HO3'" sing N N 135
1161
+ U "C2'" "O2'" sing N N 136
1162
+ U "C2'" "C1'" sing N N 137
1163
+ U "C2'" "H2'" sing N N 138
1164
+ U "O2'" "HO2'" sing N N 139
1165
+ U "C1'" N1 sing N N 140
1166
+ U "C1'" "H1'" sing N N 141
1167
+ U N1 C2 sing N N 142
1168
+ U N1 C6 sing N N 143
1169
+ U C2 O2 doub N N 144
1170
+ U C2 N3 sing N N 145
1171
+ U N3 C4 sing N N 146
1172
+ U N3 H3 sing N N 147
1173
+ U C4 O4 doub N N 148
1174
+ U C4 C5 sing N N 149
1175
+ U C5 C6 doub N N 150
1176
+ U C5 H5 sing N N 151
1177
+ U C6 H6 sing N N 152
1178
+ #
1179
+ loop_
1180
+ _ndb_struct_conf_na.entry_id
1181
+ _ndb_struct_conf_na.feature
1182
+ 1DQF 'double helix'
1183
+ 1DQF 'a-form double helix'
1184
+ 1DQF 'bulge loop'
1185
+ #
1186
+ loop_
1187
+ _ndb_struct_na_base_pair.model_number
1188
+ _ndb_struct_na_base_pair.i_label_asym_id
1189
+ _ndb_struct_na_base_pair.i_label_comp_id
1190
+ _ndb_struct_na_base_pair.i_label_seq_id
1191
+ _ndb_struct_na_base_pair.i_symmetry
1192
+ _ndb_struct_na_base_pair.j_label_asym_id
1193
+ _ndb_struct_na_base_pair.j_label_comp_id
1194
+ _ndb_struct_na_base_pair.j_label_seq_id
1195
+ _ndb_struct_na_base_pair.j_symmetry
1196
+ _ndb_struct_na_base_pair.shear
1197
+ _ndb_struct_na_base_pair.stretch
1198
+ _ndb_struct_na_base_pair.stagger
1199
+ _ndb_struct_na_base_pair.buckle
1200
+ _ndb_struct_na_base_pair.propeller
1201
+ _ndb_struct_na_base_pair.opening
1202
+ _ndb_struct_na_base_pair.pair_number
1203
+ _ndb_struct_na_base_pair.pair_name
1204
+ _ndb_struct_na_base_pair.i_auth_asym_id
1205
+ _ndb_struct_na_base_pair.i_auth_seq_id
1206
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1207
+ _ndb_struct_na_base_pair.j_auth_asym_id
1208
+ _ndb_struct_na_base_pair.j_auth_seq_id
1209
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1210
+ _ndb_struct_na_base_pair.hbond_type_28
1211
+ _ndb_struct_na_base_pair.hbond_type_12
1212
+ 1 A G 1 1_555 B C 10 1_555 -0.448 -0.147 0.549 11.945 -12.477 1.508 1 A_G1:C19_B A 1 ? B 19 ? 19 1
1213
+ 1 A C 2 1_555 B G 9 1_555 0.362 -0.150 0.018 10.886 -13.820 1.853 2 A_C2:G18_B A 2 ? B 18 ? 19 1
1214
+ 1 A C 3 1_555 B G 8 1_555 0.248 -0.401 -0.144 6.954 -10.273 -0.708 3 A_C3:G17_B A 3 ? B 17 ? 19 1
1215
+ 1 A A 4 1_555 B U 6 1_555 0.363 -0.402 0.191 7.747 -9.525 -2.155 4 A_A4:U15_B A 4 ? B 15 ? 20 1
1216
+ 1 A C 5 1_555 B G 5 1_555 0.657 -0.634 -0.031 12.344 -14.323 -1.511 5 A_C5:G14_B A 5 ? B 14 ? 19 1
1217
+ 1 A C 6 1_555 B G 4 1_555 0.117 -0.447 -0.088 4.483 -11.154 2.366 6 A_C6:G13_B A 6 ? B 13 ? 19 1
1218
+ 1 A C 7 1_555 B G 3 1_555 0.247 -0.290 -0.141 3.139 -8.227 0.187 7 A_C7:G12_B A 7 ? B 12 ? 19 1
1219
+ 1 A U 8 1_555 B A 2 1_555 -0.149 -0.385 -0.086 0.373 -12.010 2.182 8 A_U8:A11_B A 8 ? B 11 ? 20 1
1220
+ 1 A G 9 1_555 B C 1 1_555 -0.569 -0.002 0.042 -7.880 -13.675 6.108 9 A_G9:C10_B A 9 ? B 10 ? 19 1
1221
+ 1 B C 7 1_555 B G 9 7_556 0.163 3.099 0.198 -2.556 -3.697 64.865 10 B_C16:G18_B B 16 ? B 18 ? ? ?
1222
+ 1 B C 7 1_555 B G 9 1_555 0.163 3.099 0.198 -2.556 -3.697 64.865 11 B_C16:G18_B B 16 ? B 18 ? ? ?
1223
+ #
1224
+ loop_
1225
+ _ndb_struct_na_base_pair_step.model_number
1226
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1227
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1228
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1229
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1230
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1231
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1232
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1233
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1234
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1235
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1236
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1237
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1238
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1239
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1240
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1241
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1242
+ _ndb_struct_na_base_pair_step.shift
1243
+ _ndb_struct_na_base_pair_step.slide
1244
+ _ndb_struct_na_base_pair_step.rise
1245
+ _ndb_struct_na_base_pair_step.tilt
1246
+ _ndb_struct_na_base_pair_step.roll
1247
+ _ndb_struct_na_base_pair_step.twist
1248
+ _ndb_struct_na_base_pair_step.x_displacement
1249
+ _ndb_struct_na_base_pair_step.y_displacement
1250
+ _ndb_struct_na_base_pair_step.helical_rise
1251
+ _ndb_struct_na_base_pair_step.inclination
1252
+ _ndb_struct_na_base_pair_step.tip
1253
+ _ndb_struct_na_base_pair_step.helical_twist
1254
+ _ndb_struct_na_base_pair_step.step_number
1255
+ _ndb_struct_na_base_pair_step.step_name
1256
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1257
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1258
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1259
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1260
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1261
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1262
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1263
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1264
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1265
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1266
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1267
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1268
+ 1 A G 1 1_555 B C 10 1_555 A C 2 1_555 B G 9 1_555 -0.863 -1.410 3.359 0.306 2.751 35.463 -2.713 1.457 3.236 4.508 -0.501
1269
+ 35.568 1 AA_G1C2:G18C19_BB A 1 ? B 19 ? A 2 ? B 18 ?
1270
+ 1 A C 2 1_555 B G 9 1_555 A C 3 1_555 B G 8 1_555 0.340 -2.130 3.254 -0.404 8.196 31.661 -5.083 -0.668 2.631 14.715 0.726
1271
+ 32.681 2 AA_C2C3:G17G18_BB A 2 ? B 18 ? A 3 ? B 17 ?
1272
+ 1 A C 3 1_555 B G 8 1_555 A A 4 1_555 B U 6 1_555 0.385 -1.722 3.270 -4.745 6.128 38.179 -3.292 -1.126 2.903 9.252 7.164
1273
+ 38.929 3 AA_C3A4:U15G17_BB A 3 ? B 17 ? A 4 ? B 15 ?
1274
+ 1 A A 4 1_555 B U 6 1_555 A C 5 1_555 B G 5 1_555 0.100 -1.153 3.185 0.914 5.513 37.920 -2.412 -0.044 2.996 8.428 -1.397
1275
+ 38.314 4 AA_A4C5:G14U15_BB A 4 ? B 15 ? A 5 ? B 14 ?
1276
+ 1 A C 5 1_555 B G 5 1_555 A C 6 1_555 B G 4 1_555 -0.296 -1.815 3.516 -0.284 5.190 27.818 -4.947 0.539 3.135 10.676 0.585
1277
+ 28.290 5 AA_C5C6:G13G14_BB A 5 ? B 14 ? A 6 ? B 13 ?
1278
+ 1 A C 6 1_555 B G 4 1_555 A C 7 1_555 B G 3 1_555 -0.276 -1.805 3.361 -0.969 7.981 31.394 -4.591 0.331 2.836 14.454 1.755
1279
+ 32.382 6 AA_C6C7:G12G13_BB A 6 ? B 13 ? A 7 ? B 12 ?
1280
+ 1 A C 7 1_555 B G 3 1_555 A U 8 1_555 B A 2 1_555 0.518 -1.569 3.287 0.915 7.224 31.170 -4.094 -0.782 2.874 13.219 -1.675
1281
+ 31.988 7 AA_C7U8:A11G12_BB A 7 ? B 12 ? A 8 ? B 11 ?
1282
+ 1 A U 8 1_555 B A 2 1_555 A G 9 1_555 B C 1 1_555 0.329 -1.696 3.552 2.065 7.953 29.164 -4.891 -0.203 3.010 15.413 -4.001
1283
+ 30.275 8 AA_U8G9:C10A11_BB A 8 ? B 11 ? A 9 ? B 10 ?
1284
+ #
1285
+ _atom_sites.entry_id 1DQF
1286
+ _atom_sites.fract_transf_matrix[1][1] 0.017498
1287
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
1288
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
1289
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1290
+ _atom_sites.fract_transf_matrix[2][2] 0.017498
1291
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1292
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1293
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1294
+ _atom_sites.fract_transf_matrix[3][3] 0.022967
1295
+ _atom_sites.fract_transf_vector[1] 0.00000
1296
+ _atom_sites.fract_transf_vector[2] 0.00000
1297
+ _atom_sites.fract_transf_vector[3] 0.00000
1298
+ #
1299
+ loop_
1300
+ _atom_type.symbol
1301
+ C
1302
+ CA
1303
+ N
1304
+ O
1305
+ P
1306
+ #
1307
+ loop_
1308
+ _atom_site.group_PDB
1309
+ _atom_site.id
1310
+ _atom_site.type_symbol
1311
+ _atom_site.label_atom_id
1312
+ _atom_site.label_alt_id
1313
+ _atom_site.label_comp_id
1314
+ _atom_site.label_asym_id
1315
+ _atom_site.label_entity_id
1316
+ _atom_site.label_seq_id
1317
+ _atom_site.pdbx_PDB_ins_code
1318
+ _atom_site.Cartn_x
1319
+ _atom_site.Cartn_y
1320
+ _atom_site.Cartn_z
1321
+ _atom_site.occupancy
1322
+ _atom_site.B_iso_or_equiv
1323
+ _atom_site.pdbx_formal_charge
1324
+ _atom_site.auth_seq_id
1325
+ _atom_site.auth_comp_id
1326
+ _atom_site.auth_asym_id
1327
+ _atom_site.auth_atom_id
1328
+ _atom_site.pdbx_PDB_model_num
1329
+ ATOM 1 O "O5'" . G A 1 1 ? 53.406 31.294 20.864 1.00 55.94 ? 1 G A "O5'" 1
1330
+ ATOM 2 C "C5'" . G A 1 1 ? 54.291 30.318 21.428 1.00 52.75 ? 1 G A "C5'" 1
1331
+ ATOM 3 C "C4'" . G A 1 1 ? 53.765 28.918 21.252 1.00 52.26 ? 1 G A "C4'" 1
1332
+ ATOM 4 O "O4'" . G A 1 1 ? 52.800 28.631 22.300 1.00 51.05 ? 1 G A "O4'" 1
1333
+ ATOM 5 C "C3'" . G A 1 1 ? 53.010 28.659 19.952 1.00 53.53 ? 1 G A "C3'" 1
1334
+ ATOM 6 O "O3'" . G A 1 1 ? 53.912 28.372 18.880 1.00 56.43 ? 1 G A "O3'" 1
1335
+ ATOM 7 C "C2'" . G A 1 1 ? 52.163 27.450 20.338 1.00 52.24 ? 1 G A "C2'" 1
1336
+ ATOM 8 O "O2'" . G A 1 1 ? 52.904 26.249 20.354 1.00 51.17 ? 1 G A "O2'" 1
1337
+ ATOM 9 C "C1'" . G A 1 1 ? 51.769 27.803 21.778 1.00 49.98 ? 1 G A "C1'" 1
1338
+ ATOM 10 N N9 . G A 1 1 ? 50.492 28.513 21.897 1.00 46.74 ? 1 G A N9 1
1339
+ ATOM 11 C C8 . G A 1 1 ? 50.308 29.838 22.212 1.00 45.83 ? 1 G A C8 1
1340
+ ATOM 12 N N7 . G A 1 1 ? 49.048 30.181 22.276 1.00 43.88 ? 1 G A N7 1
1341
+ ATOM 13 C C5 . G A 1 1 ? 48.358 29.015 21.981 1.00 43.01 ? 1 G A C5 1
1342
+ ATOM 14 C C6 . G A 1 1 ? 46.959 28.764 21.935 1.00 41.70 ? 1 G A C6 1
1343
+ ATOM 15 O O6 . G A 1 1 ? 46.024 29.546 22.181 1.00 39.50 ? 1 G A O6 1
1344
+ ATOM 16 N N1 . G A 1 1 ? 46.693 27.444 21.587 1.00 40.51 ? 1 G A N1 1
1345
+ ATOM 17 C C2 . G A 1 1 ? 47.651 26.487 21.339 1.00 42.48 ? 1 G A C2 1
1346
+ ATOM 18 N N2 . G A 1 1 ? 47.209 25.269 21.015 1.00 42.29 ? 1 G A N2 1
1347
+ ATOM 19 N N3 . G A 1 1 ? 48.952 26.705 21.402 1.00 42.84 ? 1 G A N3 1
1348
+ ATOM 20 C C4 . G A 1 1 ? 49.233 27.978 21.727 1.00 43.92 ? 1 G A C4 1
1349
+ ATOM 21 P P . C A 1 2 ? 53.516 28.724 17.352 1.00 58.57 ? 2 C A P 1
1350
+ ATOM 22 O OP1 . C A 1 2 ? 54.714 28.452 16.519 1.00 59.17 ? 2 C A OP1 1
1351
+ ATOM 23 O OP2 . C A 1 2 ? 52.835 30.049 17.257 1.00 58.18 ? 2 C A OP2 1
1352
+ ATOM 24 O "O5'" . C A 1 2 ? 52.469 27.607 16.947 1.00 59.04 ? 2 C A "O5'" 1
1353
+ ATOM 25 C "C5'" . C A 1 2 ? 52.902 26.309 16.583 1.00 56.85 ? 2 C A "C5'" 1
1354
+ ATOM 26 C "C4'" . C A 1 2 ? 51.705 25.457 16.253 1.00 56.01 ? 2 C A "C4'" 1
1355
+ ATOM 27 O "O4'" . C A 1 2 ? 50.845 25.399 17.433 1.00 54.13 ? 2 C A "O4'" 1
1356
+ ATOM 28 C "C3'" . C A 1 2 ? 50.796 26.041 15.184 1.00 55.43 ? 2 C A "C3'" 1
1357
+ ATOM 29 O "O3'" . C A 1 2 ? 51.253 25.745 13.866 1.00 57.27 ? 2 C A "O3'" 1
1358
+ ATOM 30 C "C2'" . C A 1 2 ? 49.480 25.348 15.506 1.00 54.15 ? 2 C A "C2'" 1
1359
+ ATOM 31 O "O2'" . C A 1 2 ? 49.494 23.993 15.101 1.00 55.27 ? 2 C A "O2'" 1
1360
+ ATOM 32 C "C1'" . C A 1 2 ? 49.484 25.416 17.035 1.00 50.68 ? 2 C A "C1'" 1
1361
+ ATOM 33 N N1 . C A 1 2 ? 48.848 26.645 17.550 1.00 46.77 ? 2 C A N1 1
1362
+ ATOM 34 C C2 . C A 1 2 ? 47.452 26.672 17.680 1.00 44.56 ? 2 C A C2 1
1363
+ ATOM 35 O O2 . C A 1 2 ? 46.811 25.655 17.401 1.00 43.80 ? 2 C A O2 1
1364
+ ATOM 36 N N3 . C A 1 2 ? 46.843 27.795 18.108 1.00 42.40 ? 2 C A N3 1
1365
+ ATOM 37 C C4 . C A 1 2 ? 47.573 28.862 18.423 1.00 42.40 ? 2 C A C4 1
1366
+ ATOM 38 N N4 . C A 1 2 ? 46.931 29.949 18.843 1.00 41.63 ? 2 C A N4 1
1367
+ ATOM 39 C C5 . C A 1 2 ? 48.998 28.861 18.319 1.00 43.54 ? 2 C A C5 1
1368
+ ATOM 40 C C6 . C A 1 2 ? 49.589 27.744 17.880 1.00 44.23 ? 2 C A C6 1
1369
+ ATOM 41 P P . C A 1 3 ? 50.964 26.787 12.665 1.00 61.37 ? 3 C A P 1
1370
+ ATOM 42 O OP1 . C A 1 3 ? 51.670 26.293 11.441 1.00 62.64 ? 3 C A OP1 1
1371
+ ATOM 43 O OP2 . C A 1 3 ? 51.255 28.155 13.182 1.00 60.26 ? 3 C A OP2 1
1372
+ ATOM 44 O "O5'" . C A 1 3 ? 49.393 26.701 12.404 1.00 57.32 ? 3 C A "O5'" 1
1373
+ ATOM 45 C "C5'" . C A 1 3 ? 48.775 25.456 12.121 1.00 54.71 ? 3 C A "C5'" 1
1374
+ ATOM 46 C "C4'" . C A 1 3 ? 47.265 25.577 12.186 1.00 51.42 ? 3 C A "C4'" 1
1375
+ ATOM 47 O "O4'" . C A 1 3 ? 46.826 25.856 13.548 1.00 48.96 ? 3 C A "O4'" 1
1376
+ ATOM 48 C "C3'" . C A 1 3 ? 46.624 26.698 11.392 1.00 49.64 ? 3 C A "C3'" 1
1377
+ ATOM 49 O "O3'" . C A 1 3 ? 46.558 26.405 10.002 1.00 50.09 ? 3 C A "O3'" 1
1378
+ ATOM 50 C "C2'" . C A 1 3 ? 45.236 26.738 12.025 1.00 48.10 ? 3 C A "C2'" 1
1379
+ ATOM 51 O "O2'" . C A 1 3 ? 44.440 25.647 11.609 1.00 48.39 ? 3 C A "O2'" 1
1380
+ ATOM 52 C "C1'" . C A 1 3 ? 45.575 26.536 13.502 1.00 45.82 ? 3 C A "C1'" 1
1381
+ ATOM 53 N N1 . C A 1 3 ? 45.676 27.794 14.256 1.00 41.30 ? 3 C A N1 1
1382
+ ATOM 54 C C2 . C A 1 3 ? 44.501 28.445 14.637 1.00 38.55 ? 3 C A C2 1
1383
+ ATOM 55 O O2 . C A 1 3 ? 43.423 27.954 14.311 1.00 37.69 ? 3 C A O2 1
1384
+ ATOM 56 N N3 . C A 1 3 ? 44.572 29.591 15.333 1.00 36.99 ? 3 C A N3 1
1385
+ ATOM 57 C C4 . C A 1 3 ? 45.768 30.111 15.631 1.00 38.14 ? 3 C A C4 1
1386
+ ATOM 58 N N4 . C A 1 3 ? 45.811 31.272 16.292 1.00 35.60 ? 3 C A N4 1
1387
+ ATOM 59 C C5 . C A 1 3 ? 46.981 29.469 15.258 1.00 39.57 ? 3 C A C5 1
1388
+ ATOM 60 C C6 . C A 1 3 ? 46.890 28.321 14.581 1.00 40.23 ? 3 C A C6 1
1389
+ ATOM 61 P P . A A 1 4 ? 46.448 27.614 8.932 1.00 52.73 ? 4 A A P 1
1390
+ ATOM 62 O OP1 . A A 1 4 ? 46.497 27.048 7.546 1.00 53.73 ? 4 A A OP1 1
1391
+ ATOM 63 O OP2 . A A 1 4 ? 47.434 28.652 9.352 1.00 48.49 ? 4 A A OP2 1
1392
+ ATOM 64 O "O5'" . A A 1 4 ? 44.989 28.235 9.127 1.00 51.54 ? 4 A A "O5'" 1
1393
+ ATOM 65 C "C5'" . A A 1 4 ? 43.820 27.549 8.681 1.00 45.68 ? 4 A A "C5'" 1
1394
+ ATOM 66 C "C4'" . A A 1 4 ? 42.583 28.287 9.144 1.00 43.28 ? 4 A A "C4'" 1
1395
+ ATOM 67 O "O4'" . A A 1 4 ? 42.699 28.516 10.571 1.00 40.05 ? 4 A A "O4'" 1
1396
+ ATOM 68 C "C3'" . A A 1 4 ? 42.430 29.691 8.595 1.00 44.81 ? 4 A A "C3'" 1
1397
+ ATOM 69 O "O3'" . A A 1 4 ? 41.831 29.691 7.311 1.00 48.28 ? 4 A A "O3'" 1
1398
+ ATOM 70 C "C2'" . A A 1 4 ? 41.551 30.372 9.636 1.00 42.35 ? 4 A A "C2'" 1
1399
+ ATOM 71 O "O2'" . A A 1 4 ? 40.170 30.122 9.486 1.00 44.17 ? 4 A A "O2'" 1
1400
+ ATOM 72 C "C1'" . A A 1 4 ? 42.067 29.735 10.916 1.00 36.59 ? 4 A A "C1'" 1
1401
+ ATOM 73 N N9 . A A 1 4 ? 43.052 30.568 11.577 1.00 32.11 ? 4 A A N9 1
1402
+ ATOM 74 C C8 . A A 1 4 ? 44.400 30.385 11.653 1.00 30.09 ? 4 A A C8 1
1403
+ ATOM 75 N N7 . A A 1 4 ? 45.008 31.292 12.381 1.00 30.15 ? 4 A A N7 1
1404
+ ATOM 76 C C5 . A A 1 4 ? 43.982 32.128 12.800 1.00 27.61 ? 4 A A C5 1
1405
+ ATOM 77 C C6 . A A 1 4 ? 43.969 33.287 13.589 1.00 28.28 ? 4 A A C6 1
1406
+ ATOM 78 N N6 . A A 1 4 ? 45.065 33.811 14.164 1.00 29.21 ? 4 A A N6 1
1407
+ ATOM 79 N N1 . A A 1 4 ? 42.782 33.903 13.780 1.00 26.38 ? 4 A A N1 1
1408
+ ATOM 80 C C2 . A A 1 4 ? 41.700 33.378 13.209 1.00 26.24 ? 4 A A C2 1
1409
+ ATOM 81 N N3 . A A 1 4 ? 41.588 32.283 12.460 1.00 27.39 ? 4 A A N3 1
1410
+ ATOM 82 C C4 . A A 1 4 ? 42.780 31.704 12.292 1.00 29.28 ? 4 A A C4 1
1411
+ ATOM 83 P P . C A 1 5 ? 42.490 30.570 6.136 1.00 49.16 ? 5 C A P 1
1412
+ ATOM 84 O OP1 . C A 1 5 ? 42.195 29.911 4.835 1.00 49.77 ? 5 C A OP1 1
1413
+ ATOM 85 O OP2 . C A 1 5 ? 43.918 30.793 6.531 1.00 50.49 ? 5 C A OP2 1
1414
+ ATOM 86 O "O5'" . C A 1 5 ? 41.694 31.947 6.250 1.00 43.91 ? 5 C A "O5'" 1
1415
+ ATOM 87 C "C5'" . C A 1 5 ? 40.274 31.962 6.303 1.00 40.74 ? 5 C A "C5'" 1
1416
+ ATOM 88 C "C4'" . C A 1 5 ? 39.789 33.171 7.066 1.00 40.52 ? 5 C A "C4'" 1
1417
+ ATOM 89 O "O4'" . C A 1 5 ? 40.212 33.083 8.451 1.00 40.02 ? 5 C A "O4'" 1
1418
+ ATOM 90 C "C3'" . C A 1 5 ? 40.388 34.489 6.631 1.00 42.13 ? 5 C A "C3'" 1
1419
+ ATOM 91 O "O3'" . C A 1 5 ? 39.759 34.995 5.477 1.00 47.37 ? 5 C A "O3'" 1
1420
+ ATOM 92 C "C2'" . C A 1 5 ? 40.129 35.366 7.841 1.00 38.54 ? 5 C A "C2'" 1
1421
+ ATOM 93 O "O2'" . C A 1 5 ? 38.764 35.720 7.921 1.00 38.86 ? 5 C A "O2'" 1
1422
+ ATOM 94 C "C1'" . C A 1 5 ? 40.456 34.389 8.963 1.00 36.09 ? 5 C A "C1'" 1
1423
+ ATOM 95 N N1 . C A 1 5 ? 41.849 34.451 9.419 1.00 29.97 ? 5 C A N1 1
1424
+ ATOM 96 C C2 . C A 1 5 ? 42.214 35.432 10.365 1.00 30.31 ? 5 C A C2 1
1425
+ ATOM 97 O O2 . C A 1 5 ? 41.357 36.255 10.738 1.00 31.26 ? 5 C A O2 1
1426
+ ATOM 98 N N3 . C A 1 5 ? 43.484 35.453 10.847 1.00 29.35 ? 5 C A N3 1
1427
+ ATOM 99 C C4 . C A 1 5 ? 44.370 34.533 10.414 1.00 30.26 ? 5 C A C4 1
1428
+ ATOM 100 N N4 . C A 1 5 ? 45.600 34.533 10.945 1.00 30.33 ? 5 C A N4 1
1429
+ ATOM 101 C C5 . C A 1 5 ? 44.025 33.555 9.423 1.00 28.49 ? 5 C A C5 1
1430
+ ATOM 102 C C6 . C A 1 5 ? 42.769 33.557 8.958 1.00 27.94 ? 5 C A C6 1
1431
+ ATOM 103 P P . C A 1 6 ? 40.593 35.943 4.483 1.00 50.05 ? 6 C A P 1
1432
+ ATOM 104 O OP1 . C A 1 6 ? 39.693 36.177 3.311 1.00 48.56 ? 6 C A OP1 1
1433
+ ATOM 105 O OP2 . C A 1 6 ? 41.928 35.288 4.269 1.00 45.72 ? 6 C A OP2 1
1434
+ ATOM 106 O "O5'" . C A 1 6 ? 40.717 37.306 5.310 1.00 40.32 ? 6 C A "O5'" 1
1435
+ ATOM 107 C "C5'" . C A 1 6 ? 39.562 38.114 5.514 1.00 34.48 ? 6 C A "C5'" 1
1436
+ ATOM 108 C "C4'" . C A 1 6 ? 39.875 39.307 6.391 1.00 35.36 ? 6 C A "C4'" 1
1437
+ ATOM 109 O "O4'" . C A 1 6 ? 40.315 38.875 7.704 1.00 36.30 ? 6 C A "O4'" 1
1438
+ ATOM 110 C "C3'" . C A 1 6 ? 40.989 40.230 5.943 1.00 36.15 ? 6 C A "C3'" 1
1439
+ ATOM 111 O "O3'" . C A 1 6 ? 40.501 41.081 4.924 1.00 40.92 ? 6 C A "O3'" 1
1440
+ ATOM 112 C "C2'" . C A 1 6 ? 41.293 40.965 7.241 1.00 35.09 ? 6 C A "C2'" 1
1441
+ ATOM 113 O "O2'" . C A 1 6 ? 40.283 41.882 7.624 1.00 34.11 ? 6 C A "O2'" 1
1442
+ ATOM 114 C "C1'" . C A 1 6 ? 41.257 39.801 8.226 1.00 32.85 ? 6 C A "C1'" 1
1443
+ ATOM 115 N N1 . C A 1 6 ? 42.558 39.125 8.346 1.00 29.44 ? 6 C A N1 1
1444
+ ATOM 116 C C2 . C A 1 6 ? 43.492 39.691 9.165 1.00 29.04 ? 6 C A C2 1
1445
+ ATOM 117 O O2 . C A 1 6 ? 43.199 40.755 9.737 1.00 32.44 ? 6 C A O2 1
1446
+ ATOM 118 N N3 . C A 1 6 ? 44.683 39.095 9.333 1.00 27.42 ? 6 C A N3 1
1447
+ ATOM 119 C C4 . C A 1 6 ? 44.949 37.950 8.702 1.00 29.88 ? 6 C A C4 1
1448
+ ATOM 120 N N4 . C A 1 6 ? 46.149 37.377 8.915 1.00 28.98 ? 6 C A N4 1
1449
+ ATOM 121 C C5 . C A 1 6 ? 44.003 37.339 7.829 1.00 28.07 ? 6 C A C5 1
1450
+ ATOM 122 C C6 . C A 1 6 ? 42.831 37.962 7.678 1.00 29.15 ? 6 C A C6 1
1451
+ ATOM 123 P P . C A 1 7 ? 41.509 41.693 3.825 1.00 42.12 ? 7 C A P 1
1452
+ ATOM 124 O OP1 . C A 1 7 ? 40.582 42.511 2.978 1.00 41.58 ? 7 C A OP1 1
1453
+ ATOM 125 O OP2 . C A 1 7 ? 42.354 40.634 3.186 1.00 37.85 ? 7 C A OP2 1
1454
+ ATOM 126 O "O5'" . C A 1 7 ? 42.439 42.679 4.664 1.00 35.04 ? 7 C A "O5'" 1
1455
+ ATOM 127 C "C5'" . C A 1 7 ? 41.931 43.939 5.050 1.00 32.59 ? 7 C A "C5'" 1
1456
+ ATOM 128 C "C4'" . C A 1 7 ? 42.908 44.665 5.925 1.00 30.01 ? 7 C A "C4'" 1
1457
+ ATOM 129 O "O4'" . C A 1 7 ? 43.251 43.821 7.043 1.00 31.32 ? 7 C A "O4'" 1
1458
+ ATOM 130 C "C3'" . C A 1 7 ? 44.249 45.025 5.322 1.00 30.42 ? 7 C A "C3'" 1
1459
+ ATOM 131 O "O3'" . C A 1 7 ? 44.123 46.208 4.533 1.00 32.04 ? 7 C A "O3'" 1
1460
+ ATOM 132 C "C2'" . C A 1 7 ? 45.040 45.284 6.591 1.00 29.73 ? 7 C A "C2'" 1
1461
+ ATOM 133 O "O2'" . C A 1 7 ? 44.566 46.470 7.178 1.00 30.37 ? 7 C A "O2'" 1
1462
+ ATOM 134 C "C1'" . C A 1 7 ? 44.570 44.114 7.453 1.00 30.65 ? 7 C A "C1'" 1
1463
+ ATOM 135 N N1 . C A 1 7 ? 45.378 42.904 7.268 1.00 28.71 ? 7 C A N1 1
1464
+ ATOM 136 C C2 . C A 1 7 ? 46.596 42.863 7.866 1.00 28.93 ? 7 C A C2 1
1465
+ ATOM 137 O O2 . C A 1 7 ? 46.982 43.880 8.460 1.00 29.81 ? 7 C A O2 1
1466
+ ATOM 138 N N3 . C A 1 7 ? 47.346 41.739 7.790 1.00 28.13 ? 7 C A N3 1
1467
+ ATOM 139 C C4 . C A 1 7 ? 46.899 40.695 7.115 1.00 29.23 ? 7 C A C4 1
1468
+ ATOM 140 N N4 . C A 1 7 ? 47.661 39.597 7.097 1.00 32.38 ? 7 C A N4 1
1469
+ ATOM 141 C C5 . C A 1 7 ? 45.651 40.723 6.434 1.00 29.38 ? 7 C A C5 1
1470
+ ATOM 142 C C6 . C A 1 7 ? 44.924 41.843 6.543 1.00 28.84 ? 7 C A C6 1
1471
+ ATOM 143 P P . U A 1 8 ? 44.913 46.336 3.133 1.00 29.80 ? 8 U A P 1
1472
+ ATOM 144 O OP1 . U A 1 8 ? 44.307 47.516 2.430 1.00 29.92 ? 8 U A OP1 1
1473
+ ATOM 145 O OP2 . U A 1 8 ? 44.932 45.008 2.451 1.00 27.76 ? 8 U A OP2 1
1474
+ ATOM 146 O "O5'" . U A 1 8 ? 46.403 46.662 3.601 1.00 26.78 ? 8 U A "O5'" 1
1475
+ ATOM 147 C "C5'" . U A 1 8 ? 46.673 47.782 4.435 1.00 26.48 ? 8 U A "C5'" 1
1476
+ ATOM 148 C "C4'" . U A 1 8 ? 48.034 47.659 5.079 1.00 25.76 ? 8 U A "C4'" 1
1477
+ ATOM 149 O "O4'" . U A 1 8 ? 48.044 46.523 5.966 1.00 28.71 ? 8 U A "O4'" 1
1478
+ ATOM 150 C "C3'" . U A 1 8 ? 49.210 47.363 4.167 1.00 27.52 ? 8 U A "C3'" 1
1479
+ ATOM 151 O "O3'" . U A 1 8 ? 49.681 48.538 3.517 1.00 28.44 ? 8 U A "O3'" 1
1480
+ ATOM 152 C "C2'" . U A 1 8 ? 50.238 46.892 5.175 1.00 27.67 ? 8 U A "C2'" 1
1481
+ ATOM 153 O "O2'" . U A 1 8 ? 50.764 48.004 5.874 1.00 26.78 ? 8 U A "O2'" 1
1482
+ ATOM 154 C "C1'" . U A 1 8 ? 49.376 46.034 6.103 1.00 26.09 ? 8 U A "C1'" 1
1483
+ ATOM 155 N N1 . U A 1 8 ? 49.393 44.613 5.721 1.00 25.51 ? 8 U A N1 1
1484
+ ATOM 156 C C2 . U A 1 8 ? 50.502 43.856 6.078 1.00 25.61 ? 8 U A C2 1
1485
+ ATOM 157 O O2 . U A 1 8 ? 51.459 44.312 6.705 1.00 26.36 ? 8 U A O2 1
1486
+ ATOM 158 N N3 . U A 1 8 ? 50.457 42.547 5.672 1.00 24.54 ? 8 U A N3 1
1487
+ ATOM 159 C C4 . U A 1 8 ? 49.446 41.928 4.953 1.00 27.07 ? 8 U A C4 1
1488
+ ATOM 160 O O4 . U A 1 8 ? 49.585 40.746 4.625 1.00 29.93 ? 8 U A O4 1
1489
+ ATOM 161 C C5 . U A 1 8 ? 48.334 42.765 4.621 1.00 24.38 ? 8 U A C5 1
1490
+ ATOM 162 C C6 . U A 1 8 ? 48.343 44.045 5.011 1.00 25.60 ? 8 U A C6 1
1491
+ ATOM 163 P P . G A 1 9 ? 50.409 48.422 2.092 1.00 29.33 ? 9 G A P 1
1492
+ ATOM 164 O OP1 . G A 1 9 ? 50.500 49.818 1.624 1.00 27.22 ? 9 G A OP1 1
1493
+ ATOM 165 O OP2 . G A 1 9 ? 49.728 47.403 1.254 1.00 27.97 ? 9 G A OP2 1
1494
+ ATOM 166 O "O5'" . G A 1 9 ? 51.868 47.867 2.429 1.00 29.14 ? 9 G A "O5'" 1
1495
+ ATOM 167 C "C5'" . G A 1 9 ? 52.750 48.630 3.244 1.00 31.36 ? 9 G A "C5'" 1
1496
+ ATOM 168 C "C4'" . G A 1 9 ? 53.960 47.813 3.624 1.00 33.27 ? 9 G A "C4'" 1
1497
+ ATOM 169 O "O4'" . G A 1 9 ? 53.524 46.622 4.321 1.00 32.52 ? 9 G A "O4'" 1
1498
+ ATOM 170 C "C3'" . G A 1 9 ? 54.782 47.270 2.472 1.00 35.21 ? 9 G A "C3'" 1
1499
+ ATOM 171 O "O3'" . G A 1 9 ? 55.661 48.242 1.899 1.00 36.14 ? 9 G A "O3'" 1
1500
+ ATOM 172 C "C2'" . G A 1 9 ? 55.507 46.106 3.129 1.00 34.98 ? 9 G A "C2'" 1
1501
+ ATOM 173 O "O2'" . G A 1 9 ? 56.598 46.530 3.916 1.00 33.78 ? 9 G A "O2'" 1
1502
+ ATOM 174 C "C1'" . G A 1 9 ? 54.418 45.574 4.054 1.00 32.20 ? 9 G A "C1'" 1
1503
+ ATOM 175 N N9 . G A 1 9 ? 53.675 44.482 3.448 1.00 31.31 ? 9 G A N9 1
1504
+ ATOM 176 C C8 . G A 1 9 ? 52.421 44.488 2.886 1.00 31.78 ? 9 G A C8 1
1505
+ ATOM 177 N N7 . G A 1 9 ? 52.038 43.298 2.484 1.00 31.47 ? 9 G A N7 1
1506
+ ATOM 178 C C5 . G A 1 9 ? 53.114 42.477 2.794 1.00 30.56 ? 9 G A C5 1
1507
+ ATOM 179 C C6 . G A 1 9 ? 53.289 41.094 2.610 1.00 31.23 ? 9 G A C6 1
1508
+ ATOM 180 O O6 . G A 1 9 ? 52.489 40.277 2.107 1.00 31.98 ? 9 G A O6 1
1509
+ ATOM 181 N N1 . G A 1 9 ? 54.547 40.672 3.071 1.00 30.04 ? 9 G A N1 1
1510
+ ATOM 182 C C2 . G A 1 9 ? 55.509 41.500 3.636 1.00 28.91 ? 9 G A C2 1
1511
+ ATOM 183 N N2 . G A 1 9 ? 56.685 40.937 4.051 1.00 26.46 ? 9 G A N2 1
1512
+ ATOM 184 N N3 . G A 1 9 ? 55.341 42.789 3.795 1.00 27.96 ? 9 G A N3 1
1513
+ ATOM 185 C C4 . G A 1 9 ? 54.136 43.202 3.366 1.00 29.79 ? 9 G A C4 1
1514
+ ATOM 186 O "O5'" . C B 2 1 ? 56.662 32.201 4.783 1.00 63.58 ? 10 C B "O5'" 1
1515
+ ATOM 187 C "C5'" . C B 2 1 ? 58.070 32.234 4.547 1.00 61.50 ? 10 C B "C5'" 1
1516
+ ATOM 188 C "C4'" . C B 2 1 ? 58.618 33.633 4.671 1.00 61.06 ? 10 C B "C4'" 1
1517
+ ATOM 189 O "O4'" . C B 2 1 ? 58.299 34.391 3.474 1.00 60.63 ? 10 C B "O4'" 1
1518
+ ATOM 190 C "C3'" . C B 2 1 ? 58.019 34.460 5.794 1.00 61.99 ? 10 C B "C3'" 1
1519
+ ATOM 191 O "O3'" . C B 2 1 ? 58.637 34.190 7.039 1.00 65.65 ? 10 C B "O3'" 1
1520
+ ATOM 192 C "C2'" . C B 2 1 ? 58.301 35.880 5.328 1.00 61.07 ? 10 C B "C2'" 1
1521
+ ATOM 193 O "O2'" . C B 2 1 ? 59.634 36.282 5.587 1.00 58.70 ? 10 C B "O2'" 1
1522
+ ATOM 194 C "C1'" . C B 2 1 ? 58.038 35.750 3.824 1.00 60.04 ? 10 C B "C1'" 1
1523
+ ATOM 195 N N1 . C B 2 1 ? 56.635 36.060 3.464 1.00 57.59 ? 10 C B N1 1
1524
+ ATOM 196 C C2 . C B 2 1 ? 56.239 37.408 3.310 1.00 55.20 ? 10 C B C2 1
1525
+ ATOM 197 O O2 . C B 2 1 ? 57.076 38.308 3.467 1.00 54.34 ? 10 C B O2 1
1526
+ ATOM 198 N N3 . C B 2 1 ? 54.954 37.687 2.995 1.00 53.91 ? 10 C B N3 1
1527
+ ATOM 199 C C4 . C B 2 1 ? 54.078 36.692 2.829 1.00 55.33 ? 10 C B C4 1
1528
+ ATOM 200 N N4 . C B 2 1 ? 52.823 37.011 2.518 1.00 54.41 ? 10 C B N4 1
1529
+ ATOM 201 C C5 . C B 2 1 ? 54.452 35.320 2.973 1.00 56.41 ? 10 C B C5 1
1530
+ ATOM 202 C C6 . C B 2 1 ? 55.727 35.052 3.288 1.00 56.84 ? 10 C B C6 1
1531
+ ATOM 203 P P . A B 2 2 ? 57.821 34.448 8.399 1.00 68.71 ? 11 A B P 1
1532
+ ATOM 204 O OP1 . A B 2 2 ? 58.628 33.918 9.532 1.00 71.70 ? 11 A B OP1 1
1533
+ ATOM 205 O OP2 . A B 2 2 ? 56.432 33.933 8.179 1.00 68.31 ? 11 A B OP2 1
1534
+ ATOM 206 O "O5'" . A B 2 2 ? 57.800 36.040 8.538 1.00 66.28 ? 11 A B "O5'" 1
1535
+ ATOM 207 C "C5'" . A B 2 2 ? 59.014 36.791 8.615 1.00 61.46 ? 11 A B "C5'" 1
1536
+ ATOM 208 C "C4'" . A B 2 2 ? 58.717 38.280 8.597 1.00 58.82 ? 11 A B "C4'" 1
1537
+ ATOM 209 O "O4'" . A B 2 2 ? 58.178 38.668 7.301 1.00 55.35 ? 11 A B "O4'" 1
1538
+ ATOM 210 C "C3'" . A B 2 2 ? 57.648 38.742 9.572 1.00 57.80 ? 11 A B "C3'" 1
1539
+ ATOM 211 O "O3'" . A B 2 2 ? 58.177 38.950 10.860 1.00 62.90 ? 11 A B "O3'" 1
1540
+ ATOM 212 C "C2'" . A B 2 2 ? 57.208 40.058 8.958 1.00 53.92 ? 11 A B "C2'" 1
1541
+ ATOM 213 O "O2'" . A B 2 2 ? 58.134 41.098 9.180 1.00 53.65 ? 11 A B "O2'" 1
1542
+ ATOM 214 C "C1'" . A B 2 2 ? 57.208 39.691 7.481 1.00 50.94 ? 11 A B "C1'" 1
1543
+ ATOM 215 N N9 . A B 2 2 ? 55.900 39.197 7.041 1.00 45.69 ? 11 A B N9 1
1544
+ ATOM 216 C C8 . A B 2 2 ? 55.472 37.909 6.788 1.00 43.72 ? 11 A B C8 1
1545
+ ATOM 217 N N7 . A B 2 2 ? 54.230 37.844 6.360 1.00 43.01 ? 11 A B N7 1
1546
+ ATOM 218 C C5 . A B 2 2 ? 53.821 39.180 6.329 1.00 40.03 ? 11 A B C5 1
1547
+ ATOM 219 C C6 . A B 2 2 ? 52.620 39.789 5.948 1.00 38.52 ? 11 A B C6 1
1548
+ ATOM 220 N N6 . A B 2 2 ? 51.577 39.113 5.455 1.00 38.36 ? 11 A B N6 1
1549
+ ATOM 221 N N1 . A B 2 2 ? 52.526 41.134 6.076 1.00 36.52 ? 11 A B N1 1
1550
+ ATOM 222 C C2 . A B 2 2 ? 53.579 41.806 6.541 1.00 37.12 ? 11 A B C2 1
1551
+ ATOM 223 N N3 . A B 2 2 ? 54.773 41.345 6.909 1.00 37.87 ? 11 A B N3 1
1552
+ ATOM 224 C C4 . A B 2 2 ? 54.826 40.012 6.774 1.00 40.61 ? 11 A B C4 1
1553
+ ATOM 225 P P . G B 2 3 ? 57.217 38.824 12.140 1.00 66.22 ? 12 G B P 1
1554
+ ATOM 226 O OP1 . G B 2 3 ? 58.137 38.812 13.319 1.00 67.81 ? 12 G B OP1 1
1555
+ ATOM 227 O OP2 . G B 2 3 ? 56.266 37.680 11.910 1.00 61.48 ? 12 G B OP2 1
1556
+ ATOM 228 O "O5'" . G B 2 3 ? 56.409 40.201 12.181 1.00 61.99 ? 12 G B "O5'" 1
1557
+ ATOM 229 C "C5'" . G B 2 3 ? 57.020 41.391 12.674 1.00 57.39 ? 12 G B "C5'" 1
1558
+ ATOM 230 C "C4'" . G B 2 3 ? 56.100 42.571 12.471 1.00 54.93 ? 12 G B "C4'" 1
1559
+ ATOM 231 O "O4'" . G B 2 3 ? 55.684 42.588 11.072 1.00 51.93 ? 12 G B "O4'" 1
1560
+ ATOM 232 C "C3'" . G B 2 3 ? 54.774 42.498 13.204 1.00 55.52 ? 12 G B "C3'" 1
1561
+ ATOM 233 O "O3'" . G B 2 3 ? 54.835 42.841 14.578 1.00 61.98 ? 12 G B "O3'" 1
1562
+ ATOM 234 C "C2'" . G B 2 3 ? 53.900 43.430 12.380 1.00 50.91 ? 12 G B "C2'" 1
1563
+ ATOM 235 O "O2'" . G B 2 3 ? 54.128 44.812 12.611 1.00 49.49 ? 12 G B "O2'" 1
1564
+ ATOM 236 C "C1'" . G B 2 3 ? 54.334 43.024 10.974 1.00 46.22 ? 12 G B "C1'" 1
1565
+ ATOM 237 N N9 . G B 2 3 ? 53.519 41.939 10.423 1.00 38.92 ? 12 G B N9 1
1566
+ ATOM 238 C C8 . G B 2 3 ? 53.840 40.604 10.265 1.00 36.79 ? 12 G B C8 1
1567
+ ATOM 239 N N7 . G B 2 3 ? 52.881 39.913 9.690 1.00 35.90 ? 12 G B N7 1
1568
+ ATOM 240 C C5 . G B 2 3 ? 51.876 40.853 9.451 1.00 33.31 ? 12 G B C5 1
1569
+ ATOM 241 C C6 . G B 2 3 ? 50.598 40.714 8.835 1.00 31.30 ? 12 G B C6 1
1570
+ ATOM 242 O O6 . G B 2 3 ? 50.103 39.706 8.297 1.00 29.29 ? 12 G B O6 1
1571
+ ATOM 243 N N1 . G B 2 3 ? 49.878 41.914 8.870 1.00 29.39 ? 12 G B N1 1
1572
+ ATOM 244 C C2 . G B 2 3 ? 50.339 43.100 9.414 1.00 30.58 ? 12 G B C2 1
1573
+ ATOM 245 N N2 . G B 2 3 ? 49.497 44.169 9.417 1.00 28.13 ? 12 G B N2 1
1574
+ ATOM 246 N N3 . G B 2 3 ? 51.540 43.244 9.937 1.00 32.54 ? 12 G B N3 1
1575
+ ATOM 247 C C4 . G B 2 3 ? 52.246 42.094 9.927 1.00 34.71 ? 12 G B C4 1
1576
+ ATOM 248 P P . G B 2 4 ? 53.886 42.046 15.622 1.00 67.65 ? 13 G B P 1
1577
+ ATOM 249 O OP1 . G B 2 4 ? 54.307 42.451 17.000 1.00 67.65 ? 13 G B OP1 1
1578
+ ATOM 250 O OP2 . G B 2 4 ? 53.908 40.600 15.230 1.00 64.99 ? 13 G B OP2 1
1579
+ ATOM 251 O "O5'" . G B 2 4 ? 52.420 42.624 15.341 1.00 62.22 ? 13 G B "O5'" 1
1580
+ ATOM 252 C "C5'" . G B 2 4 ? 52.184 44.035 15.361 1.00 55.55 ? 13 G B "C5'" 1
1581
+ ATOM 253 C "C4'" . G B 2 4 ? 50.774 44.358 14.904 1.00 52.30 ? 13 G B "C4'" 1
1582
+ ATOM 254 O "O4'" . G B 2 4 ? 50.593 44.007 13.503 1.00 47.45 ? 13 G B "O4'" 1
1583
+ ATOM 255 C "C3'" . G B 2 4 ? 49.638 43.622 15.582 1.00 52.27 ? 13 G B "C3'" 1
1584
+ ATOM 256 O "O3'" . G B 2 4 ? 49.383 44.141 16.889 1.00 56.89 ? 13 G B "O3'" 1
1585
+ ATOM 257 C "C2'" . G B 2 4 ? 48.499 43.854 14.587 1.00 49.77 ? 13 G B "C2'" 1
1586
+ ATOM 258 O "O2'" . G B 2 4 ? 47.947 45.163 14.613 1.00 52.25 ? 13 G B "O2'" 1
1587
+ ATOM 259 C "C1'" . G B 2 4 ? 49.235 43.684 13.264 1.00 43.71 ? 13 G B "C1'" 1
1588
+ ATOM 260 N N9 . G B 2 4 ? 49.172 42.321 12.752 1.00 38.15 ? 13 G B N9 1
1589
+ ATOM 261 C C8 . G B 2 4 ? 50.134 41.343 12.855 1.00 36.72 ? 13 G B C8 1
1590
+ ATOM 262 N N7 . G B 2 4 ? 49.796 40.230 12.257 1.00 35.44 ? 13 G B N7 1
1591
+ ATOM 263 C C5 . G B 2 4 ? 48.531 40.493 11.737 1.00 34.29 ? 13 G B C5 1
1592
+ ATOM 264 C C6 . G B 2 4 ? 47.644 39.665 10.984 1.00 34.79 ? 13 G B C6 1
1593
+ ATOM 265 O O6 . G B 2 4 ? 47.809 38.478 10.595 1.00 34.03 ? 13 G B O6 1
1594
+ ATOM 266 N N1 . G B 2 4 ? 46.456 40.340 10.681 1.00 34.45 ? 13 G B N1 1
1595
+ ATOM 267 C C2 . G B 2 4 ? 46.165 41.628 11.053 1.00 33.84 ? 13 G B C2 1
1596
+ ATOM 268 N N2 . G B 2 4 ? 44.955 42.087 10.698 1.00 35.79 ? 13 G B N2 1
1597
+ ATOM 269 N N3 . G B 2 4 ? 46.986 42.406 11.732 1.00 33.70 ? 13 G B N3 1
1598
+ ATOM 270 C C4 . G B 2 4 ? 48.134 41.778 12.045 1.00 34.92 ? 13 G B C4 1
1599
+ ATOM 271 P P . G B 2 5 ? 48.264 43.442 17.820 1.00 57.71 ? 14 G B P 1
1600
+ ATOM 272 O OP1 . G B 2 5 ? 48.288 44.093 19.159 1.00 56.86 ? 14 G B OP1 1
1601
+ ATOM 273 O OP2 . G B 2 5 ? 48.404 41.954 17.722 1.00 54.08 ? 14 G B OP2 1
1602
+ ATOM 274 O "O5'" . G B 2 5 ? 46.925 43.877 17.087 1.00 50.33 ? 14 G B "O5'" 1
1603
+ ATOM 275 C "C5'" . G B 2 5 ? 45.737 43.206 17.339 1.00 47.57 ? 14 G B "C5'" 1
1604
+ ATOM 276 C "C4'" . G B 2 5 ? 44.823 43.340 16.169 1.00 47.47 ? 14 G B "C4'" 1
1605
+ ATOM 277 O "O4'" . G B 2 5 ? 45.494 42.814 15.004 1.00 45.58 ? 14 G B "O4'" 1
1606
+ ATOM 278 C "C3'" . G B 2 5 ? 43.593 42.468 16.310 1.00 49.83 ? 14 G B "C3'" 1
1607
+ ATOM 279 O "O3'" . G B 2 5 ? 42.605 43.115 17.118 1.00 54.69 ? 14 G B "O3'" 1
1608
+ ATOM 280 C "C2'" . G B 2 5 ? 43.196 42.213 14.868 1.00 43.03 ? 14 G B "C2'" 1
1609
+ ATOM 281 O "O2'" . G B 2 5 ? 42.482 43.291 14.329 1.00 41.93 ? 14 G B "O2'" 1
1610
+ ATOM 282 C "C1'" . G B 2 5 ? 44.571 42.097 14.214 1.00 39.84 ? 14 G B "C1'" 1
1611
+ ATOM 283 N N9 . G B 2 5 ? 45.060 40.730 14.097 1.00 34.37 ? 14 G B N9 1
1612
+ ATOM 284 C C8 . G B 2 5 ? 46.273 40.227 14.518 1.00 31.07 ? 14 G B C8 1
1613
+ ATOM 285 N N7 . G B 2 5 ? 46.468 38.991 14.133 1.00 30.51 ? 14 G B N7 1
1614
+ ATOM 286 C C5 . G B 2 5 ? 45.301 38.656 13.450 1.00 29.14 ? 14 G B C5 1
1615
+ ATOM 287 C C6 . G B 2 5 ? 44.953 37.477 12.758 1.00 31.52 ? 14 G B C6 1
1616
+ ATOM 288 O O6 . G B 2 5 ? 45.649 36.464 12.569 1.00 32.07 ? 14 G B O6 1
1617
+ ATOM 289 N N1 . G B 2 5 ? 43.659 37.555 12.219 1.00 31.00 ? 14 G B N1 1
1618
+ ATOM 290 C C2 . G B 2 5 ? 42.825 38.652 12.334 1.00 31.34 ? 14 G B C2 1
1619
+ ATOM 291 N N2 . G B 2 5 ? 41.608 38.546 11.801 1.00 33.51 ? 14 G B N2 1
1620
+ ATOM 292 N N3 . G B 2 5 ? 43.163 39.771 12.937 1.00 30.29 ? 14 G B N3 1
1621
+ ATOM 293 C C4 . G B 2 5 ? 44.407 39.703 13.464 1.00 31.38 ? 14 G B C4 1
1622
+ ATOM 294 P P . U B 2 6 ? 42.096 42.397 18.475 1.00 54.59 ? 15 U B P 1
1623
+ ATOM 295 O OP1 . U B 2 6 ? 41.427 43.472 19.274 1.00 54.40 ? 15 U B OP1 1
1624
+ ATOM 296 O OP2 . U B 2 6 ? 43.245 41.635 19.067 1.00 50.17 ? 15 U B OP2 1
1625
+ ATOM 297 O "O5'" . U B 2 6 ? 40.995 41.355 17.960 1.00 48.89 ? 15 U B "O5'" 1
1626
+ ATOM 298 C "C5'" . U B 2 6 ? 39.883 41.825 17.206 1.00 47.48 ? 15 U B "C5'" 1
1627
+ ATOM 299 C "C4'" . U B 2 6 ? 39.242 40.692 16.455 1.00 47.32 ? 15 U B "C4'" 1
1628
+ ATOM 300 O "O4'" . U B 2 6 ? 40.221 40.122 15.572 1.00 45.94 ? 15 U B "O4'" 1
1629
+ ATOM 301 C "C3'" . U B 2 6 ? 38.795 39.520 17.309 1.00 49.31 ? 15 U B "C3'" 1
1630
+ ATOM 302 O "O3'" . U B 2 6 ? 37.465 39.737 17.743 1.00 53.30 ? 15 U B "O3'" 1
1631
+ ATOM 303 C "C2'" . U B 2 6 ? 38.791 38.363 16.323 1.00 47.73 ? 15 U B "C2'" 1
1632
+ ATOM 304 O "O2'" . U B 2 6 ? 37.556 38.232 15.637 1.00 52.71 ? 15 U B "O2'" 1
1633
+ ATOM 305 C "C1'" . U B 2 6 ? 39.913 38.763 15.364 1.00 43.57 ? 15 U B "C1'" 1
1634
+ ATOM 306 N N1 . U B 2 6 ? 41.141 37.986 15.509 1.00 36.25 ? 15 U B N1 1
1635
+ ATOM 307 C C2 . U B 2 6 ? 41.167 36.774 14.886 1.00 35.49 ? 15 U B C2 1
1636
+ ATOM 308 O O2 . U B 2 6 ? 40.198 36.322 14.277 1.00 34.35 ? 15 U B O2 1
1637
+ ATOM 309 N N3 . U B 2 6 ? 42.351 36.102 14.988 1.00 34.95 ? 15 U B N3 1
1638
+ ATOM 310 C C4 . U B 2 6 ? 43.479 36.521 15.648 1.00 36.03 ? 15 U B C4 1
1639
+ ATOM 311 O O4 . U B 2 6 ? 44.501 35.842 15.569 1.00 37.56 ? 15 U B O4 1
1640
+ ATOM 312 C C5 . U B 2 6 ? 43.357 37.791 16.300 1.00 35.24 ? 15 U B C5 1
1641
+ ATOM 313 C C6 . U B 2 6 ? 42.210 38.462 16.206 1.00 35.18 ? 15 U B C6 1
1642
+ ATOM 314 P P . C B 2 7 ? 37.193 40.361 19.196 1.00 54.79 ? 16 C B P 1
1643
+ ATOM 315 O OP1 . C B 2 7 ? 36.502 41.671 19.001 1.00 53.83 ? 16 C B OP1 1
1644
+ ATOM 316 O OP2 . C B 2 7 ? 38.443 40.300 20.023 1.00 50.46 ? 16 C B OP2 1
1645
+ ATOM 317 O "O5'" . C B 2 7 ? 36.078 39.391 19.779 1.00 53.45 ? 16 C B "O5'" 1
1646
+ ATOM 318 C "C5'" . C B 2 7 ? 36.284 37.995 19.895 1.00 45.03 ? 16 C B "C5'" 1
1647
+ ATOM 319 C "C4'" . C B 2 7 ? 35.255 37.427 20.831 1.00 40.63 ? 16 C B "C4'" 1
1648
+ ATOM 320 O "O4'" . C B 2 7 ? 35.219 38.276 22.007 1.00 37.75 ? 16 C B "O4'" 1
1649
+ ATOM 321 C "C3'" . C B 2 7 ? 33.821 37.474 20.318 1.00 39.44 ? 16 C B "C3'" 1
1650
+ ATOM 322 O "O3'" . C B 2 7 ? 33.515 36.286 19.588 1.00 40.72 ? 16 C B "O3'" 1
1651
+ ATOM 323 C "C2'" . C B 2 7 ? 33.030 37.436 21.617 1.00 38.43 ? 16 C B "C2'" 1
1652
+ ATOM 324 O "O2'" . C B 2 7 ? 32.973 36.108 22.119 1.00 41.34 ? 16 C B "O2'" 1
1653
+ ATOM 325 C "C1'" . C B 2 7 ? 33.904 38.296 22.537 1.00 36.18 ? 16 C B "C1'" 1
1654
+ ATOM 326 N N1 . C B 2 7 ? 33.448 39.692 22.660 1.00 31.02 ? 16 C B N1 1
1655
+ ATOM 327 C C2 . C B 2 7 ? 32.328 39.950 23.446 1.00 28.86 ? 16 C B C2 1
1656
+ ATOM 328 O O2 . C B 2 7 ? 31.819 39.021 24.069 1.00 29.76 ? 16 C B O2 1
1657
+ ATOM 329 N N3 . C B 2 7 ? 31.835 41.203 23.524 1.00 28.46 ? 16 C B N3 1
1658
+ ATOM 330 C C4 . C B 2 7 ? 32.448 42.197 22.883 1.00 29.23 ? 16 C B C4 1
1659
+ ATOM 331 N N4 . C B 2 7 ? 31.919 43.416 22.987 1.00 30.49 ? 16 C B N4 1
1660
+ ATOM 332 C C5 . C B 2 7 ? 33.626 41.981 22.105 1.00 29.55 ? 16 C B C5 1
1661
+ ATOM 333 C C6 . C B 2 7 ? 34.085 40.715 22.014 1.00 30.21 ? 16 C B C6 1
1662
+ ATOM 334 P P . G B 2 8 ? 33.591 36.276 17.984 1.00 41.36 ? 17 G B P 1
1663
+ ATOM 335 O OP1 . G B 2 8 ? 33.496 37.655 17.408 1.00 43.60 ? 17 G B OP1 1
1664
+ ATOM 336 O OP2 . G B 2 8 ? 32.574 35.262 17.620 1.00 43.37 ? 17 G B OP2 1
1665
+ ATOM 337 O "O5'" . G B 2 8 ? 35.050 35.708 17.674 1.00 35.23 ? 17 G B "O5'" 1
1666
+ ATOM 338 C "C5'" . G B 2 8 ? 35.457 34.464 18.222 1.00 30.93 ? 17 G B "C5'" 1
1667
+ ATOM 339 C "C4'" . G B 2 8 ? 35.762 33.471 17.127 1.00 28.88 ? 17 G B "C4'" 1
1668
+ ATOM 340 O "O4'" . G B 2 8 ? 36.890 33.947 16.355 1.00 30.69 ? 17 G B "O4'" 1
1669
+ ATOM 341 C "C3'" . G B 2 8 ? 36.227 32.114 17.620 1.00 30.04 ? 17 G B "C3'" 1
1670
+ ATOM 342 O "O3'" . G B 2 8 ? 35.111 31.302 17.958 1.00 30.12 ? 17 G B "O3'" 1
1671
+ ATOM 343 C "C2'" . G B 2 8 ? 36.966 31.569 16.410 1.00 30.24 ? 17 G B "C2'" 1
1672
+ ATOM 344 O "O2'" . G B 2 8 ? 36.078 31.037 15.457 1.00 30.50 ? 17 G B "O2'" 1
1673
+ ATOM 345 C "C1'" . G B 2 8 ? 37.620 32.839 15.857 1.00 29.12 ? 17 G B "C1'" 1
1674
+ ATOM 346 N N9 . G B 2 8 ? 39.007 32.982 16.276 1.00 26.82 ? 17 G B N9 1
1675
+ ATOM 347 C C8 . G B 2 8 ? 39.537 33.972 17.068 1.00 26.47 ? 17 G B C8 1
1676
+ ATOM 348 N N7 . G B 2 8 ? 40.816 33.819 17.281 1.00 25.77 ? 17 G B N7 1
1677
+ ATOM 349 C C5 . G B 2 8 ? 41.139 32.660 16.591 1.00 23.70 ? 17 G B C5 1
1678
+ ATOM 350 C C6 . G B 2 8 ? 42.355 32.009 16.477 1.00 24.66 ? 17 G B C6 1
1679
+ ATOM 351 O O6 . G B 2 8 ? 43.439 32.337 16.977 1.00 29.45 ? 17 G B O6 1
1680
+ ATOM 352 N N1 . G B 2 8 ? 42.263 30.873 15.689 1.00 21.52 ? 17 G B N1 1
1681
+ ATOM 353 C C2 . G B 2 8 ? 41.116 30.441 15.078 1.00 24.23 ? 17 G B C2 1
1682
+ ATOM 354 N N2 . G B 2 8 ? 41.211 29.331 14.323 1.00 23.25 ? 17 G B N2 1
1683
+ ATOM 355 N N3 . G B 2 8 ? 39.955 31.048 15.191 1.00 23.62 ? 17 G B N3 1
1684
+ ATOM 356 C C4 . G B 2 8 ? 40.041 32.143 15.961 1.00 23.69 ? 17 G B C4 1
1685
+ ATOM 357 P P . G B 2 9 ? 35.238 30.218 19.145 1.00 29.91 ? 18 G B P 1
1686
+ ATOM 358 O OP1 . G B 2 9 ? 33.882 29.630 19.353 1.00 25.93 ? 18 G B OP1 1
1687
+ ATOM 359 O OP2 . G B 2 9 ? 35.968 30.823 20.283 1.00 25.72 ? 18 G B OP2 1
1688
+ ATOM 360 O "O5'" . G B 2 9 ? 36.174 29.074 18.537 1.00 28.40 ? 18 G B "O5'" 1
1689
+ ATOM 361 C "C5'" . G B 2 9 ? 35.700 28.186 17.533 1.00 22.24 ? 18 G B "C5'" 1
1690
+ ATOM 362 C "C4'" . G B 2 9 ? 36.778 27.188 17.165 1.00 22.87 ? 18 G B "C4'" 1
1691
+ ATOM 363 O "O4'" . G B 2 9 ? 37.893 27.878 16.540 1.00 21.40 ? 18 G B "O4'" 1
1692
+ ATOM 364 C "C3'" . G B 2 9 ? 37.479 26.471 18.305 1.00 24.93 ? 18 G B "C3'" 1
1693
+ ATOM 365 O "O3'" . G B 2 9 ? 36.694 25.467 18.922 1.00 24.10 ? 18 G B "O3'" 1
1694
+ ATOM 366 C "C2'" . G B 2 9 ? 38.718 25.927 17.604 1.00 20.45 ? 18 G B "C2'" 1
1695
+ ATOM 367 O "O2'" . G B 2 9 ? 38.371 24.900 16.731 1.00 25.19 ? 18 G B "O2'" 1
1696
+ ATOM 368 C "C1'" . G B 2 9 ? 39.093 27.120 16.742 1.00 21.40 ? 18 G B "C1'" 1
1697
+ ATOM 369 N N9 . G B 2 9 ? 40.075 27.955 17.429 1.00 22.27 ? 18 G B N9 1
1698
+ ATOM 370 C C8 . G B 2 9 ? 39.848 29.135 18.096 1.00 23.18 ? 18 G B C8 1
1699
+ ATOM 371 N N7 . G B 2 9 ? 40.937 29.644 18.618 1.00 23.48 ? 18 G B N7 1
1700
+ ATOM 372 C C5 . G B 2 9 ? 41.938 28.750 18.262 1.00 21.77 ? 18 G B C5 1
1701
+ ATOM 373 C C6 . G B 2 9 ? 43.332 28.783 18.528 1.00 23.27 ? 18 G B C6 1
1702
+ ATOM 374 O O6 . G B 2 9 ? 43.972 29.627 19.171 1.00 23.79 ? 18 G B O6 1
1703
+ ATOM 375 N N1 . G B 2 9 ? 43.988 27.684 17.969 1.00 23.95 ? 18 G B N1 1
1704
+ ATOM 376 C C2 . G B 2 9 ? 43.366 26.687 17.258 1.00 23.28 ? 18 G B C2 1
1705
+ ATOM 377 N N2 . G B 2 9 ? 44.149 25.709 16.784 1.00 23.07 ? 18 G B N2 1
1706
+ ATOM 378 N N3 . G B 2 9 ? 42.061 26.647 17.020 1.00 22.27 ? 18 G B N3 1
1707
+ ATOM 379 C C4 . G B 2 9 ? 41.420 27.700 17.539 1.00 21.29 ? 18 G B C4 1
1708
+ ATOM 380 P P . C B 2 10 ? 36.909 25.167 20.495 1.00 24.47 ? 19 C B P 1
1709
+ ATOM 381 O OP1 . C B 2 10 ? 35.893 24.197 20.944 1.00 22.24 ? 19 C B OP1 1
1710
+ ATOM 382 O OP2 . C B 2 10 ? 37.021 26.465 21.207 1.00 25.18 ? 19 C B OP2 1
1711
+ ATOM 383 O "O5'" . C B 2 10 ? 38.339 24.457 20.520 1.00 25.50 ? 19 C B "O5'" 1
1712
+ ATOM 384 C "C5'" . C B 2 10 ? 38.584 23.262 19.766 1.00 23.83 ? 19 C B "C5'" 1
1713
+ ATOM 385 C "C4'" . C B 2 10 ? 40.074 22.949 19.712 1.00 23.44 ? 19 C B "C4'" 1
1714
+ ATOM 386 O "O4'" . C B 2 10 ? 40.773 24.102 19.182 1.00 25.71 ? 19 C B "O4'" 1
1715
+ ATOM 387 C "C3'" . C B 2 10 ? 40.777 22.736 21.040 1.00 25.18 ? 19 C B "C3'" 1
1716
+ ATOM 388 O "O3'" . C B 2 10 ? 40.543 21.559 21.792 1.00 24.68 ? 19 C B "O3'" 1
1717
+ ATOM 389 C "C2'" . C B 2 10 ? 42.230 22.983 20.677 1.00 26.89 ? 19 C B "C2'" 1
1718
+ ATOM 390 O "O2'" . C B 2 10 ? 42.861 21.935 20.000 1.00 30.09 ? 19 C B "O2'" 1
1719
+ ATOM 391 C "C1'" . C B 2 10 ? 42.088 24.147 19.711 1.00 26.03 ? 19 C B "C1'" 1
1720
+ ATOM 392 N N1 . C B 2 10 ? 42.295 25.415 20.424 1.00 26.20 ? 19 C B N1 1
1721
+ ATOM 393 C C2 . C B 2 10 ? 43.603 25.764 20.749 1.00 27.17 ? 19 C B C2 1
1722
+ ATOM 394 O O2 . C B 2 10 ? 44.526 25.028 20.345 1.00 27.21 ? 19 C B O2 1
1723
+ ATOM 395 N N3 . C B 2 10 ? 43.834 26.893 21.465 1.00 25.34 ? 19 C B N3 1
1724
+ ATOM 396 C C4 . C B 2 10 ? 42.808 27.672 21.817 1.00 26.21 ? 19 C B C4 1
1725
+ ATOM 397 N N4 . C B 2 10 ? 43.071 28.776 22.539 1.00 26.93 ? 19 C B N4 1
1726
+ ATOM 398 C C5 . C B 2 10 ? 41.465 27.357 21.456 1.00 24.09 ? 19 C B C5 1
1727
+ ATOM 399 C C6 . C B 2 10 ? 41.257 26.229 20.771 1.00 25.26 ? 19 C B C6 1
1728
+ HETATM 400 CA CA . CA C 3 . ? 42.151 19.860 21.475 1.00 31.11 ? 201 CA B CA 1
1729
+ HETATM 401 CA CA . CA D 3 . ? 34.612 22.538 21.770 0.5 27.70 ? 202 CA B CA 1
1730
+ HETATM 402 O O . HOH E 4 . ? 47.005 46.444 8.986 1.00 52.02 ? 102 HOH A O 1
1731
+ HETATM 403 O O . HOH E 4 . ? 48.528 32.077 16.026 1.00 60.54 ? 113 HOH A O 1
1732
+ HETATM 404 O O . HOH E 4 . ? 58.309 48.703 3.236 1.00 41.07 ? 114 HOH A O 1
1733
+ HETATM 405 O O . HOH E 4 . ? 52.515 46.407 7.497 1.00 52.58 ? 115 HOH A O 1
1734
+ HETATM 406 O O . HOH E 4 . ? 54.116 30.478 14.359 1.00 65.65 ? 123 HOH A O 1
1735
+ HETATM 407 O O . HOH E 4 . ? 57.783 43.598 5.000 1.00 58.02 ? 124 HOH A O 1
1736
+ HETATM 408 O O . HOH E 4 . ? 46.543 35.356 7.461 1.00 51.99 ? 125 HOH A O 1
1737
+ HETATM 409 O O . HOH E 4 . ? 51.692 22.980 12.272 1.00 59.71 ? 127 HOH A O 1
1738
+ HETATM 410 O O . HOH E 4 . ? 45.905 48.979 8.362 1.00 60.13 ? 128 HOH A O 1
1739
+ HETATM 411 O O . HOH E 4 . ? 43.759 27.496 0.753 1.00 51.58 ? 132 HOH A O 1
1740
+ HETATM 412 O O . HOH E 4 . ? 47.780 39.493 3.274 1.00 50.01 ? 134 HOH A O 1
1741
+ HETATM 413 O O . HOH E 4 . ? 38.794 37.712 10.046 1.00 57.85 ? 137 HOH A O 1
1742
+ HETATM 414 O O . HOH F 4 . ? 40.267 18.755 22.676 1.00 38.54 ? 101 HOH B O 1
1743
+ HETATM 415 O O . HOH F 4 . ? 38.171 29.113 21.195 1.00 25.28 ? 103 HOH B O 1
1744
+ HETATM 416 O O . HOH F 4 . ? 41.289 36.018 18.603 1.00 40.66 ? 104 HOH B O 1
1745
+ HETATM 417 O O . HOH F 4 . ? 43.357 20.710 23.130 1.00 23.41 ? 105 HOH B O 1
1746
+ HETATM 418 O O . HOH F 4 . ? 44.253 19.431 20.585 1.00 32.49 ? 106 HOH B O 1
1747
+ HETATM 419 O O . HOH F 4 . ? 33.812 24.186 23.139 1.00 28.96 ? 107 HOH B O 1
1748
+ HETATM 420 O O . HOH F 4 . ? 34.244 38.104 15.067 1.00 53.53 ? 108 HOH B O 1
1749
+ HETATM 421 O O . HOH F 4 . ? 41.299 30.930 24.241 1.00 40.97 ? 109 HOH B O 1
1750
+ HETATM 422 O O . HOH F 4 . ? 44.294 34.317 18.444 1.00 41.87 ? 110 HOH B O 1
1751
+ HETATM 423 O O . HOH F 4 . ? 39.488 30.285 22.974 1.00 45.84 ? 111 HOH B O 1
1752
+ HETATM 424 O O . HOH F 4 . ? 41.278 33.676 25.454 1.00 56.60 ? 112 HOH B O 1
1753
+ HETATM 425 O O . HOH F 4 . ? 43.045 37.292 19.959 1.00 59.27 ? 116 HOH B O 1
1754
+ HETATM 426 O O . HOH F 4 . ? 43.531 32.124 25.004 1.00 48.22 ? 117 HOH B O 1
1755
+ HETATM 427 O O . HOH F 4 . ? 41.238 21.698 16.401 1.00 59.09 ? 118 HOH B O 1
1756
+ HETATM 428 O O . HOH F 4 . ? 35.054 22.998 17.469 1.00 40.95 ? 119 HOH B O 1
1757
+ HETATM 429 O O . HOH F 4 . ? 43.045 17.990 22.481 1.00 47.26 ? 120 HOH B O 1
1758
+ HETATM 430 O O . HOH F 4 . ? 43.747 44.583 20.050 1.00 59.21 ? 121 HOH B O 1
1759
+ HETATM 431 O O . HOH F 4 . ? 40.428 40.428 21.770 0.5 34.46 ? 122 HOH B O 1
1760
+ HETATM 432 O O . HOH F 4 . ? 45.954 43.802 21.255 1.00 52.63 ? 126 HOH B O 1
1761
+ HETATM 433 O O . HOH F 4 . ? 39.380 42.583 21.731 1.00 55.59 ? 129 HOH B O 1
1762
+ HETATM 434 O O . HOH F 4 . ? 59.974 31.313 9.878 1.00 57.85 ? 130 HOH B O 1
1763
+ HETATM 435 O O . HOH F 4 . ? 59.909 39.044 3.972 1.00 47.22 ? 131 HOH B O 1
1764
+ HETATM 436 O O . HOH F 4 . ? 31.001 34.005 19.198 1.00 54.14 ? 133 HOH B O 1
1765
+ HETATM 437 O O . HOH F 4 . ? 60.308 40.376 10.475 1.00 68.93 ? 135 HOH B O 1
1766
+ HETATM 438 O O . HOH F 4 . ? 50.993 37.661 12.345 1.00 56.93 ? 136 HOH B O 1
1767
+ HETATM 439 O O . HOH F 4 . ? 49.102 38.637 15.273 1.00 55.08 ? 138 HOH B O 1
1768
+ #
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