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  1. data/components.v20240608.cif +0 -3
  2. data/components.v20240608.cif.rdkit_mol.pkl +0 -3
  3. data/mmcif/114d.cif +0 -1812
  4. data/mmcif/121p.cif +0 -0
  5. data/mmcif/122l.cif +0 -0
  6. data/mmcif/129l.cif +0 -0
  7. data/mmcif/12ca.cif +0 -0
  8. data/mmcif/140l.cif +0 -0
  9. data/mmcif/142d.cif +0 -1571
  10. data/mmcif/160d.cif +0 -0
  11. data/mmcif/161l.cif +0 -0
  12. data/mmcif/198d.cif +0 -0
  13. data/mmcif/1a3e.cif +0 -0
  14. data/mmcif/1a4a.cif +0 -0
  15. data/mmcif/1a4j.cif +0 -0
  16. data/mmcif/1a4m.cif +0 -0
  17. data/mmcif/1a4s.cif +0 -0
  18. data/mmcif/1a5f.cif +0 -0
  19. data/mmcif/1a5i.cif +0 -0
  20. data/mmcif/1a5o.cif +0 -0
  21. data/mmcif/1a5x.cif +0 -0
  22. data/mmcif/1a6b.cif +0 -0
  23. data/mmcif/1a6e.cif +0 -0
  24. data/mmcif/1a6k.cif +0 -0
  25. data/mmcif/1a6t.cif +0 -0
  26. data/mmcif/1a6w.cif +0 -0
  27. data/mmcif/1a7g.cif +0 -0
  28. data/mmcif/1a7p.cif +0 -0
  29. data/mmcif/1a7s.cif +0 -0
  30. data/mmcif/1a7y.cif +0 -0
  31. data/mmcif/1a87.cif +0 -0
  32. data/mmcif/1a8u.cif +0 -0
  33. data/mmcif/1a93.cif +0 -0
  34. data/mmcif/1a96.cif +0 -0
  35. data/mmcif/1aa0.cif +0 -0
  36. data/mmcif/1aa6.cif +0 -0
  37. data/mmcif/1aa9.cif +0 -0
  38. data/mmcif/1ab2.cif +0 -0
  39. data/mmcif/1ab5.cif +0 -0
  40. data/mmcif/1ac1.cif +0 -0
  41. data/mmcif/1ac7.cif +0 -0
  42. data/mmcif/1adc.cif +0 -0
  43. data/mmcif/1adi.cif +0 -0
  44. data/mmcif/1aee.cif +0 -0
  45. data/mmcif/1afa.cif +0 -0
  46. data/mmcif/1ah0.cif +0 -0
  47. data/mmcif/1ai2.cif +0 -0
  48. data/mmcif/1apa.cif +0 -0
  49. data/mmcif/1aqf.cif +0 -0
  50. data/mmcif/1aqi.cif +0 -0
data/components.v20240608.cif DELETED
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data/components.v20240608.cif.rdkit_mol.pkl DELETED
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data/mmcif/114d.cif DELETED
@@ -1,1812 +0,0 @@
1
- data_114D
2
- #
3
- _entry.id 114D
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 114D pdb_0000114d 10.2210/pdb114d/pdb
15
- RCSB BDLB10 ? ?
16
- WWPDB D_1000170038 ? ?
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 1993-07-15
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
- #
29
- _pdbx_audit_revision_details.ordinal 1
30
- _pdbx_audit_revision_details.revision_ordinal 1
31
- _pdbx_audit_revision_details.data_content_type 'Structure model'
32
- _pdbx_audit_revision_details.provider repository
33
- _pdbx_audit_revision_details.type 'Initial release'
34
- _pdbx_audit_revision_details.description ?
35
- _pdbx_audit_revision_details.details ?
36
- #
37
- loop_
38
- _pdbx_audit_revision_group.ordinal
39
- _pdbx_audit_revision_group.revision_ordinal
40
- _pdbx_audit_revision_group.data_content_type
41
- _pdbx_audit_revision_group.group
42
- 1 2 'Structure model' 'Version format compliance'
43
- 2 3 'Structure model' 'Version format compliance'
44
- 3 4 'Structure model' 'Data collection'
45
- 4 4 'Structure model' 'Database references'
46
- #
47
- loop_
48
- _pdbx_audit_revision_category.ordinal
49
- _pdbx_audit_revision_category.revision_ordinal
50
- _pdbx_audit_revision_category.data_content_type
51
- _pdbx_audit_revision_category.category
52
- 1 4 'Structure model' chem_comp_atom
53
- 2 4 'Structure model' chem_comp_bond
54
- 3 4 'Structure model' database_2
55
- #
56
- loop_
57
- _pdbx_audit_revision_item.ordinal
58
- _pdbx_audit_revision_item.revision_ordinal
59
- _pdbx_audit_revision_item.data_content_type
60
- _pdbx_audit_revision_item.item
61
- 1 4 'Structure model' '_database_2.pdbx_DOI'
62
- 2 4 'Structure model' '_database_2.pdbx_database_accession'
63
- #
64
- _pdbx_database_status.status_code REL
65
- _pdbx_database_status.entry_id 114D
66
- _pdbx_database_status.recvd_initial_deposition_date 1993-01-04
67
- _pdbx_database_status.deposit_site BNL
68
- _pdbx_database_status.process_site NDB
69
- _pdbx_database_status.SG_entry .
70
- _pdbx_database_status.pdb_format_compatible Y
71
- _pdbx_database_status.status_code_mr ?
72
- _pdbx_database_status.status_code_sf ?
73
- _pdbx_database_status.status_code_cs ?
74
- _pdbx_database_status.status_code_nmr_data ?
75
- _pdbx_database_status.methods_development_category ?
76
- #
77
- loop_
78
- _audit_author.name
79
- _audit_author.pdbx_ordinal
80
- 'Corfield, P.W.R.' 1
81
- 'Hunter, W.N.' 2
82
- 'Brown, T.' 3
83
- 'Robinson, P.' 4
84
- 'Kennard, O.' 5
85
- #
86
- _citation.id primary
87
- _citation.title 'Inosine.adenine base pairs in a B-DNA duplex.'
88
- _citation.journal_abbrev 'Nucleic Acids Res.'
89
- _citation.journal_volume 15
90
- _citation.page_first 7935
91
- _citation.page_last 7949
92
- _citation.year 1987
93
- _citation.journal_id_ASTM NARHAD
94
- _citation.country UK
95
- _citation.journal_id_ISSN 0305-1048
96
- _citation.journal_id_CSD 0389
97
- _citation.book_publisher ?
98
- _citation.pdbx_database_id_PubMed 3671069
99
- _citation.pdbx_database_id_DOI 10.1093/nar/15.19.7935
100
- #
101
- loop_
102
- _citation_author.citation_id
103
- _citation_author.name
104
- _citation_author.ordinal
105
- _citation_author.identifier_ORCID
106
- primary 'Corfield, P.W.' 1 ?
107
- primary 'Hunter, W.N.' 2 ?
108
- primary 'Brown, T.' 3 ?
109
- primary 'Robinson, P.' 4 ?
110
- primary 'Kennard, O.' 5 ?
111
- #
112
- loop_
113
- _entity.id
114
- _entity.type
115
- _entity.src_method
116
- _entity.pdbx_description
117
- _entity.formula_weight
118
- _entity.pdbx_number_of_molecules
119
- _entity.pdbx_ec
120
- _entity.pdbx_mutation
121
- _entity.pdbx_fragment
122
- _entity.details
123
- 1 polymer syn
124
- ;DNA (5'-D(*CP*GP*CP*IP*AP*AP*TP*TP*AP*GP*CP*G)-3')
125
- ;
126
- 3672.403 2 ? ? ? ?
127
- 2 water nat water 18.015 64 ? ? ? ?
128
- #
129
- _entity_poly.entity_id 1
130
- _entity_poly.type polydeoxyribonucleotide
131
- _entity_poly.nstd_linkage no
132
- _entity_poly.nstd_monomer no
133
- _entity_poly.pdbx_seq_one_letter_code '(DC)(DG)(DC)(DI)(DA)(DA)(DT)(DT)(DA)(DG)(DC)(DG)'
134
- _entity_poly.pdbx_seq_one_letter_code_can CGCIAATTAGCG
135
- _entity_poly.pdbx_strand_id A,B
136
- _entity_poly.pdbx_target_identifier ?
137
- #
138
- _pdbx_entity_nonpoly.entity_id 2
139
- _pdbx_entity_nonpoly.name water
140
- _pdbx_entity_nonpoly.comp_id HOH
141
- #
142
- loop_
143
- _entity_poly_seq.entity_id
144
- _entity_poly_seq.num
145
- _entity_poly_seq.mon_id
146
- _entity_poly_seq.hetero
147
- 1 1 DC n
148
- 1 2 DG n
149
- 1 3 DC n
150
- 1 4 DI n
151
- 1 5 DA n
152
- 1 6 DA n
153
- 1 7 DT n
154
- 1 8 DT n
155
- 1 9 DA n
156
- 1 10 DG n
157
- 1 11 DC n
158
- 1 12 DG n
159
- #
160
- loop_
161
- _chem_comp.id
162
- _chem_comp.type
163
- _chem_comp.mon_nstd_flag
164
- _chem_comp.name
165
- _chem_comp.pdbx_synonyms
166
- _chem_comp.formula
167
- _chem_comp.formula_weight
168
- DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222
169
- DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
170
- DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
171
- DI 'DNA linking' y "2'-DEOXYINOSINE-5'-MONOPHOSPHATE" ? 'C10 H13 N4 O7 P' 332.207
172
- DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208
173
- HOH non-polymer . WATER ? 'H2 O' 18.015
174
- #
175
- loop_
176
- _pdbx_poly_seq_scheme.asym_id
177
- _pdbx_poly_seq_scheme.entity_id
178
- _pdbx_poly_seq_scheme.seq_id
179
- _pdbx_poly_seq_scheme.mon_id
180
- _pdbx_poly_seq_scheme.ndb_seq_num
181
- _pdbx_poly_seq_scheme.pdb_seq_num
182
- _pdbx_poly_seq_scheme.auth_seq_num
183
- _pdbx_poly_seq_scheme.pdb_mon_id
184
- _pdbx_poly_seq_scheme.auth_mon_id
185
- _pdbx_poly_seq_scheme.pdb_strand_id
186
- _pdbx_poly_seq_scheme.pdb_ins_code
187
- _pdbx_poly_seq_scheme.hetero
188
- A 1 1 DC 1 1 1 DC C A . n
189
- A 1 2 DG 2 2 2 DG G A . n
190
- A 1 3 DC 3 3 3 DC C A . n
191
- A 1 4 DI 4 4 4 DI I A . n
192
- A 1 5 DA 5 5 5 DA A A . n
193
- A 1 6 DA 6 6 6 DA A A . n
194
- A 1 7 DT 7 7 7 DT T A . n
195
- A 1 8 DT 8 8 8 DT T A . n
196
- A 1 9 DA 9 9 9 DA A A . n
197
- A 1 10 DG 10 10 10 DG G A . n
198
- A 1 11 DC 11 11 11 DC C A . n
199
- A 1 12 DG 12 12 12 DG G A . n
200
- B 1 1 DC 1 13 13 DC C B . n
201
- B 1 2 DG 2 14 14 DG G B . n
202
- B 1 3 DC 3 15 15 DC C B . n
203
- B 1 4 DI 4 16 16 DI I B . n
204
- B 1 5 DA 5 17 17 DA A B . n
205
- B 1 6 DA 6 18 18 DA A B . n
206
- B 1 7 DT 7 19 19 DT T B . n
207
- B 1 8 DT 8 20 20 DT T B . n
208
- B 1 9 DA 9 21 21 DA A B . n
209
- B 1 10 DG 10 22 22 DG G B . n
210
- B 1 11 DC 11 23 23 DC C B . n
211
- B 1 12 DG 12 24 24 DG G B . n
212
- #
213
- loop_
214
- _pdbx_nonpoly_scheme.asym_id
215
- _pdbx_nonpoly_scheme.entity_id
216
- _pdbx_nonpoly_scheme.mon_id
217
- _pdbx_nonpoly_scheme.ndb_seq_num
218
- _pdbx_nonpoly_scheme.pdb_seq_num
219
- _pdbx_nonpoly_scheme.auth_seq_num
220
- _pdbx_nonpoly_scheme.pdb_mon_id
221
- _pdbx_nonpoly_scheme.auth_mon_id
222
- _pdbx_nonpoly_scheme.pdb_strand_id
223
- _pdbx_nonpoly_scheme.pdb_ins_code
224
- C 2 HOH 1 25 25 HOH HOH A .
225
- C 2 HOH 2 26 26 HOH HOH A .
226
- C 2 HOH 3 27 27 HOH HOH A .
227
- C 2 HOH 4 28 28 HOH HOH A .
228
- C 2 HOH 5 30 30 HOH HOH A .
229
- C 2 HOH 6 31 31 HOH HOH A .
230
- C 2 HOH 7 35 35 HOH HOH A .
231
- C 2 HOH 8 36 36 HOH HOH A .
232
- C 2 HOH 9 37 37 HOH HOH A .
233
- C 2 HOH 10 39 39 HOH HOH A .
234
- C 2 HOH 11 41 41 HOH HOH A .
235
- C 2 HOH 12 42 42 HOH HOH A .
236
- C 2 HOH 13 44 44 HOH HOH A .
237
- C 2 HOH 14 45 45 HOH HOH A .
238
- C 2 HOH 15 47 47 HOH HOH A .
239
- C 2 HOH 16 48 48 HOH HOH A .
240
- C 2 HOH 17 49 49 HOH HOH A .
241
- C 2 HOH 18 50 50 HOH HOH A .
242
- C 2 HOH 19 51 51 HOH HOH A .
243
- C 2 HOH 20 52 52 HOH HOH A .
244
- C 2 HOH 21 54 54 HOH HOH A .
245
- C 2 HOH 22 56 56 HOH HOH A .
246
- C 2 HOH 23 57 57 HOH HOH A .
247
- C 2 HOH 24 59 59 HOH HOH A .
248
- C 2 HOH 25 60 60 HOH HOH A .
249
- C 2 HOH 26 61 61 HOH HOH A .
250
- C 2 HOH 27 62 62 HOH HOH A .
251
- C 2 HOH 28 63 63 HOH HOH A .
252
- C 2 HOH 29 64 64 HOH HOH A .
253
- C 2 HOH 30 66 66 HOH HOH A .
254
- C 2 HOH 31 70 70 HOH HOH A .
255
- C 2 HOH 32 72 72 HOH HOH A .
256
- C 2 HOH 33 74 74 HOH HOH A .
257
- C 2 HOH 34 77 77 HOH HOH A .
258
- C 2 HOH 35 78 78 HOH HOH A .
259
- C 2 HOH 36 80 80 HOH HOH A .
260
- C 2 HOH 37 83 83 HOH HOH A .
261
- C 2 HOH 38 84 84 HOH HOH A .
262
- C 2 HOH 39 86 86 HOH HOH A .
263
- D 2 HOH 1 29 29 HOH HOH B .
264
- D 2 HOH 2 32 32 HOH HOH B .
265
- D 2 HOH 3 33 33 HOH HOH B .
266
- D 2 HOH 4 34 34 HOH HOH B .
267
- D 2 HOH 5 38 38 HOH HOH B .
268
- D 2 HOH 6 40 40 HOH HOH B .
269
- D 2 HOH 7 43 43 HOH HOH B .
270
- D 2 HOH 8 46 46 HOH HOH B .
271
- D 2 HOH 9 53 53 HOH HOH B .
272
- D 2 HOH 10 55 55 HOH HOH B .
273
- D 2 HOH 11 58 58 HOH HOH B .
274
- D 2 HOH 12 65 65 HOH HOH B .
275
- D 2 HOH 13 67 67 HOH HOH B .
276
- D 2 HOH 14 68 68 HOH HOH B .
277
- D 2 HOH 15 69 69 HOH HOH B .
278
- D 2 HOH 16 71 71 HOH HOH B .
279
- D 2 HOH 17 73 73 HOH HOH B .
280
- D 2 HOH 18 75 75 HOH HOH B .
281
- D 2 HOH 19 76 76 HOH HOH B .
282
- D 2 HOH 20 79 79 HOH HOH B .
283
- D 2 HOH 21 81 81 HOH HOH B .
284
- D 2 HOH 22 82 82 HOH HOH B .
285
- D 2 HOH 23 85 85 HOH HOH B .
286
- D 2 HOH 24 87 87 HOH HOH B .
287
- D 2 HOH 25 88 88 HOH HOH B .
288
- #
289
- _software.name NUCLSQ
290
- _software.classification refinement
291
- _software.version .
292
- _software.citation_id ?
293
- _software.pdbx_ordinal 1
294
- #
295
- _cell.entry_id 114D
296
- _cell.length_a 25.850
297
- _cell.length_b 41.990
298
- _cell.length_c 65.100
299
- _cell.angle_alpha 90.00
300
- _cell.angle_beta 90.00
301
- _cell.angle_gamma 90.00
302
- _cell.Z_PDB 8
303
- _cell.pdbx_unique_axis ?
304
- #
305
- _symmetry.entry_id 114D
306
- _symmetry.space_group_name_H-M 'P 21 21 21'
307
- _symmetry.pdbx_full_space_group_name_H-M ?
308
- _symmetry.cell_setting ?
309
- _symmetry.Int_Tables_number 19
310
- #
311
- _exptl.entry_id 114D
312
- _exptl.method 'X-RAY DIFFRACTION'
313
- _exptl.crystals_number ?
314
- #
315
- _exptl_crystal.id 1
316
- _exptl_crystal.density_meas ?
317
- _exptl_crystal.density_Matthews 2.41
318
- _exptl_crystal.density_percent_sol 48.86
319
- _exptl_crystal.description ?
320
- #
321
- _exptl_crystal_grow.crystal_id 1
322
- _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP'
323
- _exptl_crystal_grow.temp ?
324
- _exptl_crystal_grow.temp_details ?
325
- _exptl_crystal_grow.pH 7.40
326
- _exptl_crystal_grow.pdbx_details 'pH 7.40, VAPOR DIFFUSION, SITTING DROP'
327
- _exptl_crystal_grow.pdbx_pH_range ?
328
- #
329
- loop_
330
- _exptl_crystal_grow_comp.crystal_id
331
- _exptl_crystal_grow_comp.id
332
- _exptl_crystal_grow_comp.sol_id
333
- _exptl_crystal_grow_comp.name
334
- _exptl_crystal_grow_comp.volume
335
- _exptl_crystal_grow_comp.conc
336
- _exptl_crystal_grow_comp.details
337
- 1 1 1 WATER ? ? ?
338
- 1 2 1 MPD ? ? ?
339
- 1 3 1 'NA CACODYLATE' ? ? ?
340
- 1 4 1 MGCL2 ? ? ?
341
- 1 5 1 SPERMINE ? ? ?
342
- #
343
- _diffrn.id 1
344
- _diffrn.ambient_temp 277.00
345
- _diffrn.ambient_temp_details ?
346
- _diffrn.crystal_id 1
347
- #
348
- _diffrn_detector.diffrn_id 1
349
- _diffrn_detector.detector DIFFRACTOMETER
350
- _diffrn_detector.type 'SYNTEX P21'
351
- _diffrn_detector.pdbx_collection_date ?
352
- _diffrn_detector.details ?
353
- #
354
- _diffrn_radiation.diffrn_id 1
355
- _diffrn_radiation.wavelength_id 1
356
- _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ?
357
- _diffrn_radiation.monochromator ?
358
- _diffrn_radiation.pdbx_diffrn_protocol ?
359
- _diffrn_radiation.pdbx_scattering_type x-ray
360
- #
361
- _diffrn_radiation_wavelength.id 1
362
- _diffrn_radiation_wavelength.wavelength .
363
- _diffrn_radiation_wavelength.wt 1.0
364
- #
365
- _diffrn_source.diffrn_id 1
366
- _diffrn_source.source ?
367
- _diffrn_source.type ?
368
- _diffrn_source.pdbx_synchrotron_site ?
369
- _diffrn_source.pdbx_synchrotron_beamline ?
370
- _diffrn_source.pdbx_wavelength ?
371
- _diffrn_source.pdbx_wavelength_list ?
372
- #
373
- _reflns.entry_id 114D
374
- _reflns.observed_criterion_sigma_I 1.000
375
- _reflns.observed_criterion_sigma_F ?
376
- _reflns.d_resolution_low ?
377
- _reflns.d_resolution_high 2.500
378
- _reflns.number_obs 2207
379
- _reflns.number_all ?
380
- _reflns.percent_possible_obs ?
381
- _reflns.pdbx_Rmerge_I_obs ?
382
- _reflns.pdbx_Rsym_value ?
383
- _reflns.pdbx_netI_over_sigmaI ?
384
- _reflns.B_iso_Wilson_estimate ?
385
- _reflns.pdbx_redundancy ?
386
- _reflns.pdbx_diffrn_id 1
387
- _reflns.pdbx_ordinal 1
388
- #
389
- _refine.entry_id 114D
390
- _refine.ls_number_reflns_obs 2105
391
- _refine.ls_number_reflns_all ?
392
- _refine.pdbx_ls_sigma_I 1.000
393
- _refine.pdbx_ls_sigma_F ?
394
- _refine.pdbx_data_cutoff_high_absF ?
395
- _refine.pdbx_data_cutoff_low_absF ?
396
- _refine.pdbx_data_cutoff_high_rms_absF ?
397
- _refine.ls_d_res_low 8.000
398
- _refine.ls_d_res_high 2.500
399
- _refine.ls_percent_reflns_obs ?
400
- _refine.ls_R_factor_obs 0.1900000
401
- _refine.ls_R_factor_all ?
402
- _refine.ls_R_factor_R_work ?
403
- _refine.ls_R_factor_R_free ?
404
- _refine.ls_R_factor_R_free_error ?
405
- _refine.ls_R_factor_R_free_error_details ?
406
- _refine.ls_percent_reflns_R_free ?
407
- _refine.ls_number_reflns_R_free ?
408
- _refine.ls_number_parameters ?
409
- _refine.ls_number_restraints ?
410
- _refine.occupancy_min ?
411
- _refine.occupancy_max ?
412
- _refine.B_iso_mean ?
413
- _refine.aniso_B[1][1] ?
414
- _refine.aniso_B[2][2] ?
415
- _refine.aniso_B[3][3] ?
416
- _refine.aniso_B[1][2] ?
417
- _refine.aniso_B[1][3] ?
418
- _refine.aniso_B[2][3] ?
419
- _refine.solvent_model_details ?
420
- _refine.solvent_model_param_ksol ?
421
- _refine.solvent_model_param_bsol ?
422
- _refine.pdbx_ls_cross_valid_method ?
423
- _refine.details ?
424
- _refine.pdbx_starting_model ?
425
- _refine.pdbx_method_to_determine_struct ?
426
- _refine.pdbx_isotropic_thermal_model ?
427
- _refine.pdbx_stereochemistry_target_values ?
428
- _refine.pdbx_stereochem_target_val_spec_case ?
429
- _refine.pdbx_R_Free_selection_details ?
430
- _refine.pdbx_overall_ESU_R ?
431
- _refine.pdbx_overall_ESU_R_Free ?
432
- _refine.overall_SU_ML ?
433
- _refine.overall_SU_B ?
434
- _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
435
- _refine.pdbx_diffrn_id 1
436
- _refine.pdbx_TLS_residual_ADP_flag ?
437
- _refine.correlation_coeff_Fo_to_Fc ?
438
- _refine.correlation_coeff_Fo_to_Fc_free ?
439
- _refine.pdbx_solvent_vdw_probe_radii ?
440
- _refine.pdbx_solvent_ion_probe_radii ?
441
- _refine.pdbx_solvent_shrinkage_radii ?
442
- _refine.pdbx_overall_phase_error ?
443
- _refine.overall_SU_R_Cruickshank_DPI ?
444
- _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
445
- _refine.pdbx_overall_SU_R_Blow_DPI ?
446
- _refine.pdbx_overall_SU_R_free_Blow_DPI ?
447
- #
448
- _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
449
- _refine_hist.cycle_id LAST
450
- _refine_hist.pdbx_number_atoms_protein 0
451
- _refine_hist.pdbx_number_atoms_nucleic_acid 488
452
- _refine_hist.pdbx_number_atoms_ligand 0
453
- _refine_hist.number_atoms_solvent 64
454
- _refine_hist.number_atoms_total 552
455
- _refine_hist.d_res_high 2.500
456
- _refine_hist.d_res_low 8.000
457
- #
458
- _database_PDB_matrix.entry_id 114D
459
- _database_PDB_matrix.origx[1][1] 1.000000
460
- _database_PDB_matrix.origx[1][2] 0.000000
461
- _database_PDB_matrix.origx[1][3] 0.000000
462
- _database_PDB_matrix.origx[2][1] 0.000000
463
- _database_PDB_matrix.origx[2][2] 1.000000
464
- _database_PDB_matrix.origx[2][3] 0.000000
465
- _database_PDB_matrix.origx[3][1] 0.000000
466
- _database_PDB_matrix.origx[3][2] 0.000000
467
- _database_PDB_matrix.origx[3][3] 1.000000
468
- _database_PDB_matrix.origx_vector[1] 0.00000
469
- _database_PDB_matrix.origx_vector[2] 0.00000
470
- _database_PDB_matrix.origx_vector[3] 0.00000
471
- #
472
- _struct.entry_id 114D
473
- _struct.title 'INOSINE-ADENINE BASE PAIRS IN A B-DNA DUPLEX'
474
- _struct.pdbx_model_details ?
475
- _struct.pdbx_CASP_flag ?
476
- _struct.pdbx_model_type_details ?
477
- #
478
- _struct_keywords.entry_id 114D
479
- _struct_keywords.pdbx_keywords DNA
480
- _struct_keywords.text 'B-DNA, DOUBLE HELIX, MODIFIED, MISMATCHED, DNA'
481
- #
482
- loop_
483
- _struct_asym.id
484
- _struct_asym.pdbx_blank_PDB_chainid_flag
485
- _struct_asym.pdbx_modified
486
- _struct_asym.entity_id
487
- _struct_asym.details
488
- A N N 1 ?
489
- B N N 1 ?
490
- C N N 2 ?
491
- D N N 2 ?
492
- #
493
- _struct_ref.id 1
494
- _struct_ref.entity_id 1
495
- _struct_ref.db_name PDB
496
- _struct_ref.db_code 114D
497
- _struct_ref.pdbx_db_accession 114D
498
- _struct_ref.pdbx_db_isoform ?
499
- _struct_ref.pdbx_seq_one_letter_code ?
500
- _struct_ref.pdbx_align_begin ?
501
- #
502
- loop_
503
- _struct_ref_seq.align_id
504
- _struct_ref_seq.ref_id
505
- _struct_ref_seq.pdbx_PDB_id_code
506
- _struct_ref_seq.pdbx_strand_id
507
- _struct_ref_seq.seq_align_beg
508
- _struct_ref_seq.pdbx_seq_align_beg_ins_code
509
- _struct_ref_seq.seq_align_end
510
- _struct_ref_seq.pdbx_seq_align_end_ins_code
511
- _struct_ref_seq.pdbx_db_accession
512
- _struct_ref_seq.db_align_beg
513
- _struct_ref_seq.pdbx_db_align_beg_ins_code
514
- _struct_ref_seq.db_align_end
515
- _struct_ref_seq.pdbx_db_align_end_ins_code
516
- _struct_ref_seq.pdbx_auth_seq_align_beg
517
- _struct_ref_seq.pdbx_auth_seq_align_end
518
- 1 1 114D A 1 ? 12 ? 114D 1 ? 12 ? 1 12
519
- 2 1 114D B 1 ? 12 ? 114D 13 ? 24 ? 13 24
520
- #
521
- _pdbx_struct_assembly.id 1
522
- _pdbx_struct_assembly.details author_defined_assembly
523
- _pdbx_struct_assembly.method_details ?
524
- _pdbx_struct_assembly.oligomeric_details dimeric
525
- _pdbx_struct_assembly.oligomeric_count 2
526
- #
527
- _pdbx_struct_assembly_gen.assembly_id 1
528
- _pdbx_struct_assembly_gen.oper_expression 1
529
- _pdbx_struct_assembly_gen.asym_id_list A,B,C,D
530
- #
531
- _pdbx_struct_oper_list.id 1
532
- _pdbx_struct_oper_list.type 'identity operation'
533
- _pdbx_struct_oper_list.name 1_555
534
- _pdbx_struct_oper_list.symmetry_operation x,y,z
535
- _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
536
- _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
537
- _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
538
- _pdbx_struct_oper_list.vector[1] 0.0000000000
539
- _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
540
- _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
541
- _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
542
- _pdbx_struct_oper_list.vector[2] 0.0000000000
543
- _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
544
- _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
545
- _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
546
- _pdbx_struct_oper_list.vector[3] 0.0000000000
547
- #
548
- _struct_biol.id 1
549
- #
550
- loop_
551
- _struct_conn.id
552
- _struct_conn.conn_type_id
553
- _struct_conn.pdbx_leaving_atom_flag
554
- _struct_conn.pdbx_PDB_id
555
- _struct_conn.ptnr1_label_asym_id
556
- _struct_conn.ptnr1_label_comp_id
557
- _struct_conn.ptnr1_label_seq_id
558
- _struct_conn.ptnr1_label_atom_id
559
- _struct_conn.pdbx_ptnr1_label_alt_id
560
- _struct_conn.pdbx_ptnr1_PDB_ins_code
561
- _struct_conn.pdbx_ptnr1_standard_comp_id
562
- _struct_conn.ptnr1_symmetry
563
- _struct_conn.ptnr2_label_asym_id
564
- _struct_conn.ptnr2_label_comp_id
565
- _struct_conn.ptnr2_label_seq_id
566
- _struct_conn.ptnr2_label_atom_id
567
- _struct_conn.pdbx_ptnr2_label_alt_id
568
- _struct_conn.pdbx_ptnr2_PDB_ins_code
569
- _struct_conn.ptnr1_auth_asym_id
570
- _struct_conn.ptnr1_auth_comp_id
571
- _struct_conn.ptnr1_auth_seq_id
572
- _struct_conn.ptnr2_auth_asym_id
573
- _struct_conn.ptnr2_auth_comp_id
574
- _struct_conn.ptnr2_auth_seq_id
575
- _struct_conn.ptnr2_symmetry
576
- _struct_conn.pdbx_ptnr3_label_atom_id
577
- _struct_conn.pdbx_ptnr3_label_seq_id
578
- _struct_conn.pdbx_ptnr3_label_comp_id
579
- _struct_conn.pdbx_ptnr3_label_asym_id
580
- _struct_conn.pdbx_ptnr3_label_alt_id
581
- _struct_conn.pdbx_ptnr3_PDB_ins_code
582
- _struct_conn.details
583
- _struct_conn.pdbx_dist_value
584
- _struct_conn.pdbx_value_order
585
- _struct_conn.pdbx_role
586
- hydrog1 hydrog ? ? A DC 1 N3 ? ? ? 1_555 B DG 12 N1 ? ? A DC 1 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
587
- hydrog2 hydrog ? ? A DC 1 N4 ? ? ? 1_555 B DG 12 O6 ? ? A DC 1 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
588
- hydrog3 hydrog ? ? A DC 1 O2 ? ? ? 1_555 B DG 12 N2 ? ? A DC 1 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
589
- hydrog4 hydrog ? ? A DG 2 N1 ? ? ? 1_555 B DC 11 N3 ? ? A DG 2 B DC 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
590
- hydrog5 hydrog ? ? A DG 2 N2 ? ? ? 1_555 B DC 11 O2 ? ? A DG 2 B DC 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
591
- hydrog6 hydrog ? ? A DG 2 O6 ? ? ? 1_555 B DC 11 N4 ? ? A DG 2 B DC 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
592
- hydrog7 hydrog ? ? A DC 3 N3 ? ? ? 1_555 B DG 10 N1 ? ? A DC 3 B DG 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
593
- hydrog8 hydrog ? ? A DC 3 N4 ? ? ? 1_555 B DG 10 O6 ? ? A DC 3 B DG 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
594
- hydrog9 hydrog ? ? A DC 3 O2 ? ? ? 1_555 B DG 10 N2 ? ? A DC 3 B DG 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
595
- hydrog10 hydrog ? ? A DA 5 N1 ? ? ? 1_555 B DT 8 N3 ? ? A DA 5 B DT 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
596
- hydrog11 hydrog ? ? A DA 5 N6 ? ? ? 1_555 B DT 8 O4 ? ? A DA 5 B DT 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
597
- hydrog12 hydrog ? ? A DA 6 N1 ? ? ? 1_555 B DT 7 N3 ? ? A DA 6 B DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
598
- hydrog13 hydrog ? ? A DA 6 N6 ? ? ? 1_555 B DT 7 O4 ? ? A DA 6 B DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
599
- hydrog14 hydrog ? ? A DT 7 N3 ? ? ? 1_555 B DA 6 N1 ? ? A DT 7 B DA 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
600
- hydrog15 hydrog ? ? A DT 7 O4 ? ? ? 1_555 B DA 6 N6 ? ? A DT 7 B DA 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
601
- hydrog16 hydrog ? ? A DT 8 N3 ? ? ? 1_555 B DA 5 N1 ? ? A DT 8 B DA 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
602
- hydrog17 hydrog ? ? A DT 8 O4 ? ? ? 1_555 B DA 5 N6 ? ? A DT 8 B DA 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
603
- hydrog18 hydrog ? ? A DG 10 N1 ? ? ? 1_555 B DC 3 N3 ? ? A DG 10 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
604
- hydrog19 hydrog ? ? A DG 10 N2 ? ? ? 1_555 B DC 3 O2 ? ? A DG 10 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
605
- hydrog20 hydrog ? ? A DG 10 O6 ? ? ? 1_555 B DC 3 N4 ? ? A DG 10 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
606
- hydrog21 hydrog ? ? A DC 11 N3 ? ? ? 1_555 B DG 2 N1 ? ? A DC 11 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
607
- hydrog22 hydrog ? ? A DC 11 N4 ? ? ? 1_555 B DG 2 O6 ? ? A DC 11 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
608
- hydrog23 hydrog ? ? A DC 11 O2 ? ? ? 1_555 B DG 2 N2 ? ? A DC 11 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
609
- hydrog24 hydrog ? ? A DG 12 N1 ? ? ? 1_555 B DC 1 N3 ? ? A DG 12 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
610
- hydrog25 hydrog ? ? A DG 12 N2 ? ? ? 1_555 B DC 1 O2 ? ? A DG 12 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
611
- hydrog26 hydrog ? ? A DG 12 O6 ? ? ? 1_555 B DC 1 N4 ? ? A DG 12 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
612
- #
613
- _struct_conn_type.id hydrog
614
- _struct_conn_type.criteria ?
615
- _struct_conn_type.reference ?
616
- #
617
- _pdbx_validate_symm_contact.id 1
618
- _pdbx_validate_symm_contact.PDB_model_num 1
619
- _pdbx_validate_symm_contact.auth_atom_id_1 "O5'"
620
- _pdbx_validate_symm_contact.auth_asym_id_1 B
621
- _pdbx_validate_symm_contact.auth_comp_id_1 DC
622
- _pdbx_validate_symm_contact.auth_seq_id_1 13
623
- _pdbx_validate_symm_contact.PDB_ins_code_1 ?
624
- _pdbx_validate_symm_contact.label_alt_id_1 ?
625
- _pdbx_validate_symm_contact.site_symmetry_1 1_555
626
- _pdbx_validate_symm_contact.auth_atom_id_2 O
627
- _pdbx_validate_symm_contact.auth_asym_id_2 A
628
- _pdbx_validate_symm_contact.auth_comp_id_2 HOH
629
- _pdbx_validate_symm_contact.auth_seq_id_2 72
630
- _pdbx_validate_symm_contact.PDB_ins_code_2 ?
631
- _pdbx_validate_symm_contact.label_alt_id_2 ?
632
- _pdbx_validate_symm_contact.site_symmetry_2 2_664
633
- _pdbx_validate_symm_contact.dist 2.19
634
- #
635
- _pdbx_validate_rmsd_bond.id 1
636
- _pdbx_validate_rmsd_bond.PDB_model_num 1
637
- _pdbx_validate_rmsd_bond.auth_atom_id_1 "C5'"
638
- _pdbx_validate_rmsd_bond.auth_asym_id_1 A
639
- _pdbx_validate_rmsd_bond.auth_comp_id_1 DC
640
- _pdbx_validate_rmsd_bond.auth_seq_id_1 11
641
- _pdbx_validate_rmsd_bond.PDB_ins_code_1 ?
642
- _pdbx_validate_rmsd_bond.label_alt_id_1 ?
643
- _pdbx_validate_rmsd_bond.auth_atom_id_2 "C4'"
644
- _pdbx_validate_rmsd_bond.auth_asym_id_2 A
645
- _pdbx_validate_rmsd_bond.auth_comp_id_2 DC
646
- _pdbx_validate_rmsd_bond.auth_seq_id_2 11
647
- _pdbx_validate_rmsd_bond.PDB_ins_code_2 ?
648
- _pdbx_validate_rmsd_bond.label_alt_id_2 ?
649
- _pdbx_validate_rmsd_bond.bond_value 1.443
650
- _pdbx_validate_rmsd_bond.bond_target_value 1.509
651
- _pdbx_validate_rmsd_bond.bond_deviation -0.066
652
- _pdbx_validate_rmsd_bond.bond_standard_deviation 0.011
653
- _pdbx_validate_rmsd_bond.linker_flag N
654
- #
655
- loop_
656
- _pdbx_validate_rmsd_angle.id
657
- _pdbx_validate_rmsd_angle.PDB_model_num
658
- _pdbx_validate_rmsd_angle.auth_atom_id_1
659
- _pdbx_validate_rmsd_angle.auth_asym_id_1
660
- _pdbx_validate_rmsd_angle.auth_comp_id_1
661
- _pdbx_validate_rmsd_angle.auth_seq_id_1
662
- _pdbx_validate_rmsd_angle.PDB_ins_code_1
663
- _pdbx_validate_rmsd_angle.label_alt_id_1
664
- _pdbx_validate_rmsd_angle.auth_atom_id_2
665
- _pdbx_validate_rmsd_angle.auth_asym_id_2
666
- _pdbx_validate_rmsd_angle.auth_comp_id_2
667
- _pdbx_validate_rmsd_angle.auth_seq_id_2
668
- _pdbx_validate_rmsd_angle.PDB_ins_code_2
669
- _pdbx_validate_rmsd_angle.label_alt_id_2
670
- _pdbx_validate_rmsd_angle.auth_atom_id_3
671
- _pdbx_validate_rmsd_angle.auth_asym_id_3
672
- _pdbx_validate_rmsd_angle.auth_comp_id_3
673
- _pdbx_validate_rmsd_angle.auth_seq_id_3
674
- _pdbx_validate_rmsd_angle.PDB_ins_code_3
675
- _pdbx_validate_rmsd_angle.label_alt_id_3
676
- _pdbx_validate_rmsd_angle.angle_value
677
- _pdbx_validate_rmsd_angle.angle_target_value
678
- _pdbx_validate_rmsd_angle.angle_deviation
679
- _pdbx_validate_rmsd_angle.angle_standard_deviation
680
- _pdbx_validate_rmsd_angle.linker_flag
681
- 1 1 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 110.80 108.30 2.50 0.30 N
682
- 2 1 "O4'" A DC 3 ? ? "C1'" A DC 3 ? ? N1 A DC 3 ? ? 111.35 108.30 3.05 0.30 N
683
- 3 1 "C3'" A DT 7 ? ? "O3'" A DT 7 ? ? P A DT 8 ? ? 132.25 119.70 12.55 1.20 Y
684
- 4 1 "C3'" A DT 8 ? ? "O3'" A DT 8 ? ? P A DA 9 ? ? 135.00 119.70 15.30 1.20 Y
685
- 5 1 "C3'" A DG 10 ? ? "O3'" A DG 10 ? ? P A DC 11 ? ? 132.23 119.70 12.53 1.20 Y
686
- 6 1 "C3'" A DC 11 ? ? "O3'" A DC 11 ? ? P A DG 12 ? ? 126.93 119.70 7.23 1.20 Y
687
- 7 1 "O4'" B DC 13 ? ? "C1'" B DC 13 ? ? N1 B DC 13 ? ? 102.86 108.00 -5.14 0.70 N
688
- 8 1 "O4'" B DG 14 ? ? "C1'" B DG 14 ? ? N9 B DG 14 ? ? 112.62 108.30 4.32 0.30 N
689
- 9 1 "O5'" B DC 15 ? ? "C5'" B DC 15 ? ? "C4'" B DC 15 ? ? 104.32 109.40 -5.08 0.80 N
690
- 10 1 "C1'" B DC 15 ? ? "O4'" B DC 15 ? ? "C4'" B DC 15 ? ? 103.37 110.10 -6.73 1.00 N
691
- 11 1 "O4'" B DC 15 ? ? "C1'" B DC 15 ? ? N1 B DC 15 ? ? 111.57 108.30 3.27 0.30 N
692
- 12 1 "C3'" B DA 17 ? ? "O3'" B DA 17 ? ? P B DA 18 ? ? 130.60 119.70 10.90 1.20 Y
693
- 13 1 "O4'" B DT 19 ? ? "C4'" B DT 19 ? ? "C3'" B DT 19 ? ? 110.37 106.00 4.37 0.60 N
694
- 14 1 "C5'" B DT 19 ? ? "C4'" B DT 19 ? ? "O4'" B DT 19 ? ? 129.51 109.80 19.71 1.10 N
695
- 15 1 "O4'" B DG 22 ? ? "C1'" B DG 22 ? ? N9 B DG 22 ? ? 111.74 108.30 3.44 0.30 N
696
- 16 1 "O4'" B DC 23 ? ? "C1'" B DC 23 ? ? N1 B DC 23 ? ? 110.21 108.30 1.91 0.30 N
697
- #
698
- _pdbx_validate_chiral.id 1
699
- _pdbx_validate_chiral.PDB_model_num 1
700
- _pdbx_validate_chiral.auth_atom_id "C4'"
701
- _pdbx_validate_chiral.label_alt_id ?
702
- _pdbx_validate_chiral.auth_asym_id B
703
- _pdbx_validate_chiral.auth_comp_id DT
704
- _pdbx_validate_chiral.auth_seq_id 19
705
- _pdbx_validate_chiral.PDB_ins_code ?
706
- _pdbx_validate_chiral.details PLANAR
707
- _pdbx_validate_chiral.omega .
708
- #
709
- loop_
710
- _refine_B_iso.class
711
- _refine_B_iso.details
712
- _refine_B_iso.treatment
713
- _refine_B_iso.pdbx_refine_id
714
- 'ALL ATOMS' TR isotropic 'X-RAY DIFFRACTION'
715
- 'ALL WATERS' TR isotropic 'X-RAY DIFFRACTION'
716
- #
717
- loop_
718
- _refine_occupancy.class
719
- _refine_occupancy.treatment
720
- _refine_occupancy.pdbx_refine_id
721
- 'ALL ATOMS' fix 'X-RAY DIFFRACTION'
722
- 'ALL WATERS' fix 'X-RAY DIFFRACTION'
723
- #
724
- loop_
725
- _chem_comp_atom.comp_id
726
- _chem_comp_atom.atom_id
727
- _chem_comp_atom.type_symbol
728
- _chem_comp_atom.pdbx_aromatic_flag
729
- _chem_comp_atom.pdbx_stereo_config
730
- _chem_comp_atom.pdbx_ordinal
731
- DA OP3 O N N 1
732
- DA P P N N 2
733
- DA OP1 O N N 3
734
- DA OP2 O N N 4
735
- DA "O5'" O N N 5
736
- DA "C5'" C N N 6
737
- DA "C4'" C N R 7
738
- DA "O4'" O N N 8
739
- DA "C3'" C N S 9
740
- DA "O3'" O N N 10
741
- DA "C2'" C N N 11
742
- DA "C1'" C N R 12
743
- DA N9 N Y N 13
744
- DA C8 C Y N 14
745
- DA N7 N Y N 15
746
- DA C5 C Y N 16
747
- DA C6 C Y N 17
748
- DA N6 N N N 18
749
- DA N1 N Y N 19
750
- DA C2 C Y N 20
751
- DA N3 N Y N 21
752
- DA C4 C Y N 22
753
- DA HOP3 H N N 23
754
- DA HOP2 H N N 24
755
- DA "H5'" H N N 25
756
- DA "H5''" H N N 26
757
- DA "H4'" H N N 27
758
- DA "H3'" H N N 28
759
- DA "HO3'" H N N 29
760
- DA "H2'" H N N 30
761
- DA "H2''" H N N 31
762
- DA "H1'" H N N 32
763
- DA H8 H N N 33
764
- DA H61 H N N 34
765
- DA H62 H N N 35
766
- DA H2 H N N 36
767
- DC OP3 O N N 37
768
- DC P P N N 38
769
- DC OP1 O N N 39
770
- DC OP2 O N N 40
771
- DC "O5'" O N N 41
772
- DC "C5'" C N N 42
773
- DC "C4'" C N R 43
774
- DC "O4'" O N N 44
775
- DC "C3'" C N S 45
776
- DC "O3'" O N N 46
777
- DC "C2'" C N N 47
778
- DC "C1'" C N R 48
779
- DC N1 N N N 49
780
- DC C2 C N N 50
781
- DC O2 O N N 51
782
- DC N3 N N N 52
783
- DC C4 C N N 53
784
- DC N4 N N N 54
785
- DC C5 C N N 55
786
- DC C6 C N N 56
787
- DC HOP3 H N N 57
788
- DC HOP2 H N N 58
789
- DC "H5'" H N N 59
790
- DC "H5''" H N N 60
791
- DC "H4'" H N N 61
792
- DC "H3'" H N N 62
793
- DC "HO3'" H N N 63
794
- DC "H2'" H N N 64
795
- DC "H2''" H N N 65
796
- DC "H1'" H N N 66
797
- DC H41 H N N 67
798
- DC H42 H N N 68
799
- DC H5 H N N 69
800
- DC H6 H N N 70
801
- DG OP3 O N N 71
802
- DG P P N N 72
803
- DG OP1 O N N 73
804
- DG OP2 O N N 74
805
- DG "O5'" O N N 75
806
- DG "C5'" C N N 76
807
- DG "C4'" C N R 77
808
- DG "O4'" O N N 78
809
- DG "C3'" C N S 79
810
- DG "O3'" O N N 80
811
- DG "C2'" C N N 81
812
- DG "C1'" C N R 82
813
- DG N9 N Y N 83
814
- DG C8 C Y N 84
815
- DG N7 N Y N 85
816
- DG C5 C Y N 86
817
- DG C6 C N N 87
818
- DG O6 O N N 88
819
- DG N1 N N N 89
820
- DG C2 C N N 90
821
- DG N2 N N N 91
822
- DG N3 N N N 92
823
- DG C4 C Y N 93
824
- DG HOP3 H N N 94
825
- DG HOP2 H N N 95
826
- DG "H5'" H N N 96
827
- DG "H5''" H N N 97
828
- DG "H4'" H N N 98
829
- DG "H3'" H N N 99
830
- DG "HO3'" H N N 100
831
- DG "H2'" H N N 101
832
- DG "H2''" H N N 102
833
- DG "H1'" H N N 103
834
- DG H8 H N N 104
835
- DG H1 H N N 105
836
- DG H21 H N N 106
837
- DG H22 H N N 107
838
- DI OP3 O N N 108
839
- DI P P N N 109
840
- DI OP1 O N N 110
841
- DI OP2 O N N 111
842
- DI "O5'" O N N 112
843
- DI "C5'" C N N 113
844
- DI "C4'" C N R 114
845
- DI "O4'" O N N 115
846
- DI "C3'" C N S 116
847
- DI "O3'" O N N 117
848
- DI "C2'" C N N 118
849
- DI "C1'" C N R 119
850
- DI N9 N Y N 120
851
- DI C8 C Y N 121
852
- DI N7 N Y N 122
853
- DI C5 C Y N 123
854
- DI C6 C N N 124
855
- DI O6 O N N 125
856
- DI N1 N N N 126
857
- DI C2 C N N 127
858
- DI N3 N N N 128
859
- DI C4 C Y N 129
860
- DI HOP3 H N N 130
861
- DI HOP2 H N N 131
862
- DI "H5'" H N N 132
863
- DI "H5''" H N N 133
864
- DI "H4'" H N N 134
865
- DI "H3'" H N N 135
866
- DI "HO3'" H N N 136
867
- DI "H2'" H N N 137
868
- DI "H2''" H N N 138
869
- DI "H1'" H N N 139
870
- DI H8 H N N 140
871
- DI H1 H N N 141
872
- DI H2 H N N 142
873
- DT OP3 O N N 143
874
- DT P P N N 144
875
- DT OP1 O N N 145
876
- DT OP2 O N N 146
877
- DT "O5'" O N N 147
878
- DT "C5'" C N N 148
879
- DT "C4'" C N R 149
880
- DT "O4'" O N N 150
881
- DT "C3'" C N S 151
882
- DT "O3'" O N N 152
883
- DT "C2'" C N N 153
884
- DT "C1'" C N R 154
885
- DT N1 N N N 155
886
- DT C2 C N N 156
887
- DT O2 O N N 157
888
- DT N3 N N N 158
889
- DT C4 C N N 159
890
- DT O4 O N N 160
891
- DT C5 C N N 161
892
- DT C7 C N N 162
893
- DT C6 C N N 163
894
- DT HOP3 H N N 164
895
- DT HOP2 H N N 165
896
- DT "H5'" H N N 166
897
- DT "H5''" H N N 167
898
- DT "H4'" H N N 168
899
- DT "H3'" H N N 169
900
- DT "HO3'" H N N 170
901
- DT "H2'" H N N 171
902
- DT "H2''" H N N 172
903
- DT "H1'" H N N 173
904
- DT H3 H N N 174
905
- DT H71 H N N 175
906
- DT H72 H N N 176
907
- DT H73 H N N 177
908
- DT H6 H N N 178
909
- HOH O O N N 179
910
- HOH H1 H N N 180
911
- HOH H2 H N N 181
912
- #
913
- loop_
914
- _chem_comp_bond.comp_id
915
- _chem_comp_bond.atom_id_1
916
- _chem_comp_bond.atom_id_2
917
- _chem_comp_bond.value_order
918
- _chem_comp_bond.pdbx_aromatic_flag
919
- _chem_comp_bond.pdbx_stereo_config
920
- _chem_comp_bond.pdbx_ordinal
921
- DA OP3 P sing N N 1
922
- DA OP3 HOP3 sing N N 2
923
- DA P OP1 doub N N 3
924
- DA P OP2 sing N N 4
925
- DA P "O5'" sing N N 5
926
- DA OP2 HOP2 sing N N 6
927
- DA "O5'" "C5'" sing N N 7
928
- DA "C5'" "C4'" sing N N 8
929
- DA "C5'" "H5'" sing N N 9
930
- DA "C5'" "H5''" sing N N 10
931
- DA "C4'" "O4'" sing N N 11
932
- DA "C4'" "C3'" sing N N 12
933
- DA "C4'" "H4'" sing N N 13
934
- DA "O4'" "C1'" sing N N 14
935
- DA "C3'" "O3'" sing N N 15
936
- DA "C3'" "C2'" sing N N 16
937
- DA "C3'" "H3'" sing N N 17
938
- DA "O3'" "HO3'" sing N N 18
939
- DA "C2'" "C1'" sing N N 19
940
- DA "C2'" "H2'" sing N N 20
941
- DA "C2'" "H2''" sing N N 21
942
- DA "C1'" N9 sing N N 22
943
- DA "C1'" "H1'" sing N N 23
944
- DA N9 C8 sing Y N 24
945
- DA N9 C4 sing Y N 25
946
- DA C8 N7 doub Y N 26
947
- DA C8 H8 sing N N 27
948
- DA N7 C5 sing Y N 28
949
- DA C5 C6 sing Y N 29
950
- DA C5 C4 doub Y N 30
951
- DA C6 N6 sing N N 31
952
- DA C6 N1 doub Y N 32
953
- DA N6 H61 sing N N 33
954
- DA N6 H62 sing N N 34
955
- DA N1 C2 sing Y N 35
956
- DA C2 N3 doub Y N 36
957
- DA C2 H2 sing N N 37
958
- DA N3 C4 sing Y N 38
959
- DC OP3 P sing N N 39
960
- DC OP3 HOP3 sing N N 40
961
- DC P OP1 doub N N 41
962
- DC P OP2 sing N N 42
963
- DC P "O5'" sing N N 43
964
- DC OP2 HOP2 sing N N 44
965
- DC "O5'" "C5'" sing N N 45
966
- DC "C5'" "C4'" sing N N 46
967
- DC "C5'" "H5'" sing N N 47
968
- DC "C5'" "H5''" sing N N 48
969
- DC "C4'" "O4'" sing N N 49
970
- DC "C4'" "C3'" sing N N 50
971
- DC "C4'" "H4'" sing N N 51
972
- DC "O4'" "C1'" sing N N 52
973
- DC "C3'" "O3'" sing N N 53
974
- DC "C3'" "C2'" sing N N 54
975
- DC "C3'" "H3'" sing N N 55
976
- DC "O3'" "HO3'" sing N N 56
977
- DC "C2'" "C1'" sing N N 57
978
- DC "C2'" "H2'" sing N N 58
979
- DC "C2'" "H2''" sing N N 59
980
- DC "C1'" N1 sing N N 60
981
- DC "C1'" "H1'" sing N N 61
982
- DC N1 C2 sing N N 62
983
- DC N1 C6 sing N N 63
984
- DC C2 O2 doub N N 64
985
- DC C2 N3 sing N N 65
986
- DC N3 C4 doub N N 66
987
- DC C4 N4 sing N N 67
988
- DC C4 C5 sing N N 68
989
- DC N4 H41 sing N N 69
990
- DC N4 H42 sing N N 70
991
- DC C5 C6 doub N N 71
992
- DC C5 H5 sing N N 72
993
- DC C6 H6 sing N N 73
994
- DG OP3 P sing N N 74
995
- DG OP3 HOP3 sing N N 75
996
- DG P OP1 doub N N 76
997
- DG P OP2 sing N N 77
998
- DG P "O5'" sing N N 78
999
- DG OP2 HOP2 sing N N 79
1000
- DG "O5'" "C5'" sing N N 80
1001
- DG "C5'" "C4'" sing N N 81
1002
- DG "C5'" "H5'" sing N N 82
1003
- DG "C5'" "H5''" sing N N 83
1004
- DG "C4'" "O4'" sing N N 84
1005
- DG "C4'" "C3'" sing N N 85
1006
- DG "C4'" "H4'" sing N N 86
1007
- DG "O4'" "C1'" sing N N 87
1008
- DG "C3'" "O3'" sing N N 88
1009
- DG "C3'" "C2'" sing N N 89
1010
- DG "C3'" "H3'" sing N N 90
1011
- DG "O3'" "HO3'" sing N N 91
1012
- DG "C2'" "C1'" sing N N 92
1013
- DG "C2'" "H2'" sing N N 93
1014
- DG "C2'" "H2''" sing N N 94
1015
- DG "C1'" N9 sing N N 95
1016
- DG "C1'" "H1'" sing N N 96
1017
- DG N9 C8 sing Y N 97
1018
- DG N9 C4 sing Y N 98
1019
- DG C8 N7 doub Y N 99
1020
- DG C8 H8 sing N N 100
1021
- DG N7 C5 sing Y N 101
1022
- DG C5 C6 sing N N 102
1023
- DG C5 C4 doub Y N 103
1024
- DG C6 O6 doub N N 104
1025
- DG C6 N1 sing N N 105
1026
- DG N1 C2 sing N N 106
1027
- DG N1 H1 sing N N 107
1028
- DG C2 N2 sing N N 108
1029
- DG C2 N3 doub N N 109
1030
- DG N2 H21 sing N N 110
1031
- DG N2 H22 sing N N 111
1032
- DG N3 C4 sing N N 112
1033
- DI OP3 P sing N N 113
1034
- DI OP3 HOP3 sing N N 114
1035
- DI P OP1 doub N N 115
1036
- DI P OP2 sing N N 116
1037
- DI P "O5'" sing N N 117
1038
- DI OP2 HOP2 sing N N 118
1039
- DI "O5'" "C5'" sing N N 119
1040
- DI "C5'" "C4'" sing N N 120
1041
- DI "C5'" "H5'" sing N N 121
1042
- DI "C5'" "H5''" sing N N 122
1043
- DI "C4'" "O4'" sing N N 123
1044
- DI "C4'" "C3'" sing N N 124
1045
- DI "C4'" "H4'" sing N N 125
1046
- DI "O4'" "C1'" sing N N 126
1047
- DI "C3'" "O3'" sing N N 127
1048
- DI "C3'" "C2'" sing N N 128
1049
- DI "C3'" "H3'" sing N N 129
1050
- DI "O3'" "HO3'" sing N N 130
1051
- DI "C2'" "C1'" sing N N 131
1052
- DI "C2'" "H2'" sing N N 132
1053
- DI "C2'" "H2''" sing N N 133
1054
- DI "C1'" N9 sing N N 134
1055
- DI "C1'" "H1'" sing N N 135
1056
- DI N9 C8 sing Y N 136
1057
- DI N9 C4 sing Y N 137
1058
- DI C8 N7 doub Y N 138
1059
- DI C8 H8 sing N N 139
1060
- DI N7 C5 sing Y N 140
1061
- DI C5 C6 sing N N 141
1062
- DI C5 C4 doub Y N 142
1063
- DI C6 O6 doub N N 143
1064
- DI C6 N1 sing N N 144
1065
- DI N1 C2 sing N N 145
1066
- DI N1 H1 sing N N 146
1067
- DI C2 N3 doub N N 147
1068
- DI C2 H2 sing N N 148
1069
- DI N3 C4 sing N N 149
1070
- DT OP3 P sing N N 150
1071
- DT OP3 HOP3 sing N N 151
1072
- DT P OP1 doub N N 152
1073
- DT P OP2 sing N N 153
1074
- DT P "O5'" sing N N 154
1075
- DT OP2 HOP2 sing N N 155
1076
- DT "O5'" "C5'" sing N N 156
1077
- DT "C5'" "C4'" sing N N 157
1078
- DT "C5'" "H5'" sing N N 158
1079
- DT "C5'" "H5''" sing N N 159
1080
- DT "C4'" "O4'" sing N N 160
1081
- DT "C4'" "C3'" sing N N 161
1082
- DT "C4'" "H4'" sing N N 162
1083
- DT "O4'" "C1'" sing N N 163
1084
- DT "C3'" "O3'" sing N N 164
1085
- DT "C3'" "C2'" sing N N 165
1086
- DT "C3'" "H3'" sing N N 166
1087
- DT "O3'" "HO3'" sing N N 167
1088
- DT "C2'" "C1'" sing N N 168
1089
- DT "C2'" "H2'" sing N N 169
1090
- DT "C2'" "H2''" sing N N 170
1091
- DT "C1'" N1 sing N N 171
1092
- DT "C1'" "H1'" sing N N 172
1093
- DT N1 C2 sing N N 173
1094
- DT N1 C6 sing N N 174
1095
- DT C2 O2 doub N N 175
1096
- DT C2 N3 sing N N 176
1097
- DT N3 C4 sing N N 177
1098
- DT N3 H3 sing N N 178
1099
- DT C4 O4 doub N N 179
1100
- DT C4 C5 sing N N 180
1101
- DT C5 C7 sing N N 181
1102
- DT C5 C6 doub N N 182
1103
- DT C7 H71 sing N N 183
1104
- DT C7 H72 sing N N 184
1105
- DT C7 H73 sing N N 185
1106
- DT C6 H6 sing N N 186
1107
- HOH O H1 sing N N 187
1108
- HOH O H2 sing N N 188
1109
- #
1110
- loop_
1111
- _ndb_struct_conf_na.entry_id
1112
- _ndb_struct_conf_na.feature
1113
- 114D 'double helix'
1114
- 114D 'b-form double helix'
1115
- 114D 'mismatched base pair'
1116
- #
1117
- loop_
1118
- _ndb_struct_na_base_pair.model_number
1119
- _ndb_struct_na_base_pair.i_label_asym_id
1120
- _ndb_struct_na_base_pair.i_label_comp_id
1121
- _ndb_struct_na_base_pair.i_label_seq_id
1122
- _ndb_struct_na_base_pair.i_symmetry
1123
- _ndb_struct_na_base_pair.j_label_asym_id
1124
- _ndb_struct_na_base_pair.j_label_comp_id
1125
- _ndb_struct_na_base_pair.j_label_seq_id
1126
- _ndb_struct_na_base_pair.j_symmetry
1127
- _ndb_struct_na_base_pair.shear
1128
- _ndb_struct_na_base_pair.stretch
1129
- _ndb_struct_na_base_pair.stagger
1130
- _ndb_struct_na_base_pair.buckle
1131
- _ndb_struct_na_base_pair.propeller
1132
- _ndb_struct_na_base_pair.opening
1133
- _ndb_struct_na_base_pair.pair_number
1134
- _ndb_struct_na_base_pair.pair_name
1135
- _ndb_struct_na_base_pair.i_auth_asym_id
1136
- _ndb_struct_na_base_pair.i_auth_seq_id
1137
- _ndb_struct_na_base_pair.i_PDB_ins_code
1138
- _ndb_struct_na_base_pair.j_auth_asym_id
1139
- _ndb_struct_na_base_pair.j_auth_seq_id
1140
- _ndb_struct_na_base_pair.j_PDB_ins_code
1141
- _ndb_struct_na_base_pair.hbond_type_28
1142
- _ndb_struct_na_base_pair.hbond_type_12
1143
- 1 A DC 1 1_555 B DG 12 1_555 -0.675 -0.131 0.149 6.989 -11.241 -2.470 1 A_DC1:DG24_B A 1 ? B 24 ? 19 1
1144
- 1 A DG 2 1_555 B DC 11 1_555 -0.609 -0.305 0.454 0.248 -8.573 -2.632 2 A_DG2:DC23_B A 2 ? B 23 ? 19 1
1145
- 1 A DC 3 1_555 B DG 10 1_555 -0.526 -0.128 0.336 -8.748 -5.444 -1.547 3 A_DC3:DG22_B A 3 ? B 22 ? 19 1
1146
- 1 A DA 5 1_555 B DT 8 1_555 0.011 -0.175 0.329 3.973 -12.083 2.833 4 A_DA5:DT20_B A 5 ? B 20 ? 20 1
1147
- 1 A DA 6 1_555 B DT 7 1_555 -0.405 -0.226 0.228 11.146 -21.751 2.536 5 A_DA6:DT19_B A 6 ? B 19 ? 20 1
1148
- 1 A DT 7 1_555 B DA 6 1_555 0.430 -0.259 -0.078 -3.594 -13.829 4.953 6 A_DT7:DA18_B A 7 ? B 18 ? 20 1
1149
- 1 A DT 8 1_555 B DA 5 1_555 0.807 -0.368 -0.261 -5.868 -17.636 6.044 7 A_DT8:DA17_B A 8 ? B 17 ? 20 1
1150
- 1 A DG 10 1_555 B DC 3 1_555 -0.215 -0.180 0.335 9.700 -4.885 -3.384 8 A_DG10:DC15_B A 10 ? B 15 ? 19 1
1151
- 1 A DC 11 1_555 B DG 2 1_555 0.500 -0.295 0.367 -0.896 -17.867 -2.335 9 A_DC11:DG14_B A 11 ? B 14 ? 19 1
1152
- 1 A DG 12 1_555 B DC 1 1_555 0.315 -0.123 -0.360 -4.164 -4.596 -2.911 10 A_DG12:DC13_B A 12 ? B 13 ? 19 1
1153
- #
1154
- loop_
1155
- _ndb_struct_na_base_pair_step.model_number
1156
- _ndb_struct_na_base_pair_step.i_label_asym_id_1
1157
- _ndb_struct_na_base_pair_step.i_label_comp_id_1
1158
- _ndb_struct_na_base_pair_step.i_label_seq_id_1
1159
- _ndb_struct_na_base_pair_step.i_symmetry_1
1160
- _ndb_struct_na_base_pair_step.j_label_asym_id_1
1161
- _ndb_struct_na_base_pair_step.j_label_comp_id_1
1162
- _ndb_struct_na_base_pair_step.j_label_seq_id_1
1163
- _ndb_struct_na_base_pair_step.j_symmetry_1
1164
- _ndb_struct_na_base_pair_step.i_label_asym_id_2
1165
- _ndb_struct_na_base_pair_step.i_label_comp_id_2
1166
- _ndb_struct_na_base_pair_step.i_label_seq_id_2
1167
- _ndb_struct_na_base_pair_step.i_symmetry_2
1168
- _ndb_struct_na_base_pair_step.j_label_asym_id_2
1169
- _ndb_struct_na_base_pair_step.j_label_comp_id_2
1170
- _ndb_struct_na_base_pair_step.j_label_seq_id_2
1171
- _ndb_struct_na_base_pair_step.j_symmetry_2
1172
- _ndb_struct_na_base_pair_step.shift
1173
- _ndb_struct_na_base_pair_step.slide
1174
- _ndb_struct_na_base_pair_step.rise
1175
- _ndb_struct_na_base_pair_step.tilt
1176
- _ndb_struct_na_base_pair_step.roll
1177
- _ndb_struct_na_base_pair_step.twist
1178
- _ndb_struct_na_base_pair_step.x_displacement
1179
- _ndb_struct_na_base_pair_step.y_displacement
1180
- _ndb_struct_na_base_pair_step.helical_rise
1181
- _ndb_struct_na_base_pair_step.inclination
1182
- _ndb_struct_na_base_pair_step.tip
1183
- _ndb_struct_na_base_pair_step.helical_twist
1184
- _ndb_struct_na_base_pair_step.step_number
1185
- _ndb_struct_na_base_pair_step.step_name
1186
- _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1187
- _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1188
- _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1189
- _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1190
- _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1191
- _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1192
- _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1193
- _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1194
- _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1195
- _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1196
- _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1197
- _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1198
- 1 A DC 1 1_555 B DG 12 1_555 A DG 2 1_555 B DC 11 1_555 -0.050 0.260 3.643 -2.162 0.234 39.631 0.353 -0.207 3.642 0.345
1199
- 3.186 39.689 1 AA_DC1DG2:DC23DG24_BB A 1 ? B 24 ? A 2 ? B 23 ?
1200
- 1 A DG 2 1_555 B DC 11 1_555 A DC 3 1_555 B DG 10 1_555 0.846 0.358 3.570 5.449 -4.890 42.198 1.029 -0.560 3.585 -6.731
1201
- -7.501 42.800 2 AA_DG2DC3:DG22DC23_BB A 2 ? B 23 ? A 3 ? B 22 ?
1202
- 1 A DC 3 1_555 B DG 10 1_555 A DA 5 1_555 B DT 8 1_555 -0.177 0.686 6.553 -1.987 6.886 65.741 0.071 0.001 6.590 6.324
1203
- 1.825 66.087 3 AA_DC3DA5:DT20DG22_BB A 3 ? B 22 ? A 5 ? B 20 ?
1204
- 1 A DA 5 1_555 B DT 8 1_555 A DA 6 1_555 B DT 7 1_555 -0.068 -0.311 2.888 0.992 -1.559 34.970 -0.309 0.245 2.895 -2.592
1205
- -1.650 35.017 4 AA_DA5DA6:DT19DT20_BB A 5 ? B 20 ? A 6 ? B 19 ?
1206
- 1 A DA 6 1_555 B DT 7 1_555 A DT 7 1_555 B DA 6 1_555 0.330 -0.460 3.741 2.622 -0.221 37.486 -0.681 -0.120 3.757 -0.344
1207
- -4.074 37.575 5 AA_DA6DT7:DA18DT19_BB A 6 ? B 19 ? A 7 ? B 18 ?
1208
- 1 A DT 7 1_555 B DA 6 1_555 A DT 8 1_555 B DA 5 1_555 -0.143 0.087 3.186 2.547 1.080 39.883 0.006 0.494 3.172 1.582
1209
- -3.728 39.975 6 AA_DT7DT8:DA17DA18_BB A 7 ? B 18 ? A 8 ? B 17 ?
1210
- 1 A DT 8 1_555 B DA 5 1_555 A DG 10 1_555 B DC 3 1_555 -0.119 1.264 6.467 -7.497 0.842 63.890 1.117 -0.523 6.458 0.792
1211
- 7.059 64.287 7 AA_DT8DG10:DC15DA17_BB A 8 ? B 17 ? A 10 ? B 15 ?
1212
- 1 A DG 10 1_555 B DC 3 1_555 A DC 11 1_555 B DG 2 1_555 -1.278 0.237 3.560 -5.274 -7.841 44.149 1.087 1.144 3.592 -10.291
1213
- 6.923 45.099 8 AA_DG10DC11:DG14DC15_BB A 10 ? B 15 ? A 11 ? B 14 ?
1214
- 1 A DC 11 1_555 B DG 2 1_555 A DG 12 1_555 B DC 1 1_555 0.345 0.304 3.663 7.379 -2.956 32.752 1.069 0.760 3.613 -5.148
1215
- -12.851 33.677 9 AA_DC11DG12:DC13DG14_BB A 11 ? B 14 ? A 12 ? B 13 ?
1216
- #
1217
- _atom_sites.entry_id 114D
1218
- _atom_sites.fract_transf_matrix[1][1] 0.038685
1219
- _atom_sites.fract_transf_matrix[1][2] 0.000000
1220
- _atom_sites.fract_transf_matrix[1][3] 0.000000
1221
- _atom_sites.fract_transf_matrix[2][1] 0.000000
1222
- _atom_sites.fract_transf_matrix[2][2] 0.023815
1223
- _atom_sites.fract_transf_matrix[2][3] 0.000000
1224
- _atom_sites.fract_transf_matrix[3][1] 0.000000
1225
- _atom_sites.fract_transf_matrix[3][2] 0.000000
1226
- _atom_sites.fract_transf_matrix[3][3] 0.015361
1227
- _atom_sites.fract_transf_vector[1] 0.00000
1228
- _atom_sites.fract_transf_vector[2] 0.00000
1229
- _atom_sites.fract_transf_vector[3] 0.00000
1230
- #
1231
- loop_
1232
- _atom_type.symbol
1233
- C
1234
- N
1235
- O
1236
- P
1237
- #
1238
- loop_
1239
- _atom_site.group_PDB
1240
- _atom_site.id
1241
- _atom_site.type_symbol
1242
- _atom_site.label_atom_id
1243
- _atom_site.label_alt_id
1244
- _atom_site.label_comp_id
1245
- _atom_site.label_asym_id
1246
- _atom_site.label_entity_id
1247
- _atom_site.label_seq_id
1248
- _atom_site.pdbx_PDB_ins_code
1249
- _atom_site.Cartn_x
1250
- _atom_site.Cartn_y
1251
- _atom_site.Cartn_z
1252
- _atom_site.occupancy
1253
- _atom_site.B_iso_or_equiv
1254
- _atom_site.pdbx_formal_charge
1255
- _atom_site.auth_seq_id
1256
- _atom_site.auth_comp_id
1257
- _atom_site.auth_asym_id
1258
- _atom_site.auth_atom_id
1259
- _atom_site.pdbx_PDB_model_num
1260
- ATOM 1 O "O5'" . DC A 1 1 ? 20.662 36.632 23.475 1.00 10.00 ? 1 DC A "O5'" 1
1261
- ATOM 2 C "C5'" . DC A 1 1 ? 19.623 35.616 23.566 1.00 10.00 ? 1 DC A "C5'" 1
1262
- ATOM 3 C "C4'" . DC A 1 1 ? 20.302 34.268 23.521 1.00 10.00 ? 1 DC A "C4'" 1
1263
- ATOM 4 O "O4'" . DC A 1 1 ? 19.442 33.302 24.172 1.00 10.00 ? 1 DC A "O4'" 1
1264
- ATOM 5 C "C3'" . DC A 1 1 ? 20.626 33.705 22.140 1.00 10.00 ? 1 DC A "C3'" 1
1265
- ATOM 6 O "O3'" . DC A 1 1 ? 21.949 33.147 22.088 1.00 10.00 ? 1 DC A "O3'" 1
1266
- ATOM 7 C "C2'" . DC A 1 1 ? 19.519 32.664 21.952 1.00 10.00 ? 1 DC A "C2'" 1
1267
- ATOM 8 C "C1'" . DC A 1 1 ? 19.455 32.105 23.358 1.00 10.00 ? 1 DC A "C1'" 1
1268
- ATOM 9 N N1 . DC A 1 1 ? 18.320 31.278 23.729 1.00 10.00 ? 1 DC A N1 1
1269
- ATOM 10 C C2 . DC A 1 1 ? 18.576 30.014 24.302 1.00 10.00 ? 1 DC A C2 1
1270
- ATOM 11 O O2 . DC A 1 1 ? 19.760 29.662 24.432 1.00 10.00 ? 1 DC A O2 1
1271
- ATOM 12 N N3 . DC A 1 1 ? 17.539 29.238 24.686 1.00 10.00 ? 1 DC A N3 1
1272
- ATOM 13 C C4 . DC A 1 1 ? 16.285 29.666 24.517 1.00 10.00 ? 1 DC A C4 1
1273
- ATOM 14 N N4 . DC A 1 1 ? 15.277 28.868 24.881 1.00 10.00 ? 1 DC A N4 1
1274
- ATOM 15 C C5 . DC A 1 1 ? 16.009 30.942 23.931 1.00 10.00 ? 1 DC A C5 1
1275
- ATOM 16 C C6 . DC A 1 1 ? 17.035 31.707 23.566 1.00 10.00 ? 1 DC A C6 1
1276
- ATOM 17 P P . DG A 1 2 ? 22.880 33.168 20.780 1.00 10.00 ? 2 DG A P 1
1277
- ATOM 18 O OP1 . DG A 1 2 ? 23.862 34.289 20.884 1.00 10.00 ? 2 DG A OP1 1
1278
- ATOM 19 O OP2 . DG A 1 2 ? 21.993 33.214 19.582 1.00 10.00 ? 2 DG A OP2 1
1279
- ATOM 20 O "O5'" . DG A 1 2 ? 23.658 31.778 20.806 1.00 10.00 ? 2 DG A "O5'" 1
1280
- ATOM 21 C "C5'" . DG A 1 2 ? 23.782 30.934 21.965 1.00 10.00 ? 2 DG A "C5'" 1
1281
- ATOM 22 C "C4'" . DG A 1 2 ? 23.849 29.469 21.633 1.00 10.00 ? 2 DG A "C4'" 1
1282
- ATOM 23 O "O4'" . DG A 1 2 ? 22.588 28.847 22.010 1.00 10.00 ? 2 DG A "O4'" 1
1283
- ATOM 24 C "C3'" . DG A 1 2 ? 24.077 29.082 20.181 1.00 10.00 ? 2 DG A "C3'" 1
1284
- ATOM 25 O "O3'" . DG A 1 2 ? 24.751 27.839 19.992 1.00 10.00 ? 2 DG A "O3'" 1
1285
- ATOM 26 C "C2'" . DG A 1 2 ? 22.639 29.032 19.667 1.00 10.00 ? 2 DG A "C2'" 1
1286
- ATOM 27 C "C1'" . DG A 1 2 ? 21.996 28.272 20.832 1.00 10.00 ? 2 DG A "C1'" 1
1287
- ATOM 28 N N9 . DG A 1 2 ? 20.535 28.368 20.884 1.00 10.00 ? 2 DG A N9 1
1288
- ATOM 29 C C8 . DG A 1 2 ? 19.710 29.410 20.506 1.00 10.00 ? 2 DG A C8 1
1289
- ATOM 30 N N7 . DG A 1 2 ? 18.449 29.162 20.676 1.00 10.00 ? 2 DG A N7 1
1290
- ATOM 31 C C5 . DG A 1 2 ? 18.413 27.881 21.203 1.00 10.00 ? 2 DG A C5 1
1291
- ATOM 32 C C6 . DG A 1 2 ? 17.304 27.100 21.587 1.00 10.00 ? 2 DG A C6 1
1292
- ATOM 33 O O6 . DG A 1 2 ? 16.102 27.390 21.529 1.00 10.00 ? 2 DG A O6 1
1293
- ATOM 34 N N1 . DG A 1 2 ? 17.697 25.845 22.056 1.00 10.00 ? 2 DG A N1 1
1294
- ATOM 35 C C2 . DG A 1 2 ? 19.002 25.429 22.154 1.00 10.00 ? 2 DG A C2 1
1295
- ATOM 36 N N2 . DG A 1 2 ? 19.191 24.190 22.622 1.00 10.00 ? 2 DG A N2 1
1296
- ATOM 37 N N3 . DG A 1 2 ? 20.059 26.156 21.795 1.00 10.00 ? 2 DG A N3 1
1297
- ATOM 38 C C4 . DG A 1 2 ? 19.682 27.373 21.327 1.00 10.00 ? 2 DG A C4 1
1298
- ATOM 39 P P . DC A 1 3 ? 25.343 27.449 18.566 1.00 10.00 ? 3 DC A P 1
1299
- ATOM 40 O OP1 . DC A 1 3 ? 26.830 27.298 18.703 1.00 10.00 ? 3 DC A OP1 1
1300
- ATOM 41 O OP2 . DC A 1 3 ? 24.912 28.415 17.518 1.00 10.00 ? 3 DC A OP2 1
1301
- ATOM 42 O "O5'" . DC A 1 3 ? 24.728 26.009 18.261 1.00 10.00 ? 3 DC A "O5'" 1
1302
- ATOM 43 C "C5'" . DC A 1 3 ? 25.222 24.858 18.990 1.00 10.00 ? 3 DC A "C5'" 1
1303
- ATOM 44 C "C4'" . DC A 1 3 ? 24.069 23.880 19.094 1.00 10.00 ? 3 DC A "C4'" 1
1304
- ATOM 45 O "O4'" . DC A 1 3 ? 22.895 24.635 19.465 1.00 10.00 ? 3 DC A "O4'" 1
1305
- ATOM 46 C "C3'" . DC A 1 3 ? 23.699 23.162 17.818 1.00 10.00 ? 3 DC A "C3'" 1
1306
- ATOM 47 O "O3'" . DC A 1 3 ? 24.291 21.843 17.720 1.00 10.00 ? 3 DC A "O3'" 1
1307
- ATOM 48 C "C2'" . DC A 1 3 ? 22.195 23.031 17.863 1.00 10.00 ? 3 DC A "C2'" 1
1308
- ATOM 49 C "C1'" . DC A 1 3 ? 21.763 23.934 18.964 1.00 10.00 ? 3 DC A "C1'" 1
1309
- ATOM 50 N N1 . DC A 1 3 ? 20.708 24.858 18.540 1.00 10.00 ? 3 DC A N1 1
1310
- ATOM 51 C C2 . DC A 1 3 ? 19.380 24.480 18.840 1.00 10.00 ? 3 DC A C2 1
1311
- ATOM 52 O O2 . DC A 1 3 ? 19.206 23.409 19.432 1.00 10.00 ? 3 DC A O2 1
1312
- ATOM 53 N N3 . DC A 1 3 ? 18.379 25.307 18.462 1.00 10.00 ? 3 DC A N3 1
1313
- ATOM 54 C C4 . DC A 1 3 ? 18.656 26.445 17.844 1.00 10.00 ? 3 DC A C4 1
1314
- ATOM 55 N N4 . DC A 1 3 ? 17.653 27.251 17.505 1.00 10.00 ? 3 DC A N4 1
1315
- ATOM 56 C C5 . DC A 1 3 ? 20.000 26.832 17.538 1.00 10.00 ? 3 DC A C5 1
1316
- ATOM 57 C C6 . DC A 1 3 ? 20.985 26.009 17.889 1.00 10.00 ? 3 DC A C6 1
1317
- ATOM 58 P P . DI A 1 4 ? 24.671 21.255 16.295 1.00 10.00 ? 4 DI A P 1
1318
- ATOM 59 O OP1 . DI A 1 4 ? 26.150 21.440 16.106 1.00 10.00 ? 4 DI A OP1 1
1319
- ATOM 60 O OP2 . DI A 1 4 ? 23.834 21.864 15.220 1.00 10.00 ? 4 DI A OP2 1
1320
- ATOM 61 O "O5'" . DI A 1 4 ? 24.332 19.710 16.353 1.00 10.00 ? 4 DI A "O5'" 1
1321
- ATOM 62 C "C5'" . DI A 1 4 ? 24.224 18.988 17.610 1.00 10.00 ? 4 DI A "C5'" 1
1322
- ATOM 63 C "C4'" . DI A 1 4 ? 22.774 18.530 17.649 1.00 10.00 ? 4 DI A "C4'" 1
1323
- ATOM 64 O "O4'" . DI A 1 4 ? 21.923 19.676 17.512 1.00 10.00 ? 4 DI A "O4'" 1
1324
- ATOM 65 C "C3'" . DI A 1 4 ? 22.414 17.573 16.503 1.00 10.00 ? 4 DI A "C3'" 1
1325
- ATOM 66 O "O3'" . DI A 1 4 ? 21.791 16.393 17.004 1.00 10.00 ? 4 DI A "O3'" 1
1326
- ATOM 67 C "C2'" . DI A 1 4 ? 21.600 18.459 15.585 1.00 10.00 ? 4 DI A "C2'" 1
1327
- ATOM 68 C "C1'" . DI A 1 4 ? 20.856 19.307 16.587 1.00 10.00 ? 4 DI A "C1'" 1
1328
- ATOM 69 N N9 . DI A 1 4 ? 20.315 20.571 16.099 1.00 10.00 ? 4 DI A N9 1
1329
- ATOM 70 C C8 . DI A 1 4 ? 20.985 21.537 15.390 1.00 10.00 ? 4 DI A C8 1
1330
- ATOM 71 N N7 . DI A 1 4 ? 20.259 22.586 15.116 1.00 10.00 ? 4 DI A N7 1
1331
- ATOM 72 C C5 . DI A 1 4 ? 19.020 22.297 15.683 1.00 10.00 ? 4 DI A C5 1
1332
- ATOM 73 C C6 . DI A 1 4 ? 17.831 23.065 15.702 1.00 10.00 ? 4 DI A C6 1
1333
- ATOM 74 O O6 . DI A 1 4 ? 17.640 24.186 15.214 1.00 10.00 ? 4 DI A O6 1
1334
- ATOM 75 N N1 . DI A 1 4 ? 16.810 22.406 16.373 1.00 10.00 ? 4 DI A N1 1
1335
- ATOM 76 C C2 . DI A 1 4 ? 16.929 21.159 16.959 1.00 10.00 ? 4 DI A C2 1
1336
- ATOM 77 N N3 . DI A 1 4 ? 18.035 20.428 16.939 1.00 10.00 ? 4 DI A N3 1
1337
- ATOM 78 C C4 . DI A 1 4 ? 19.041 21.062 16.295 1.00 10.00 ? 4 DI A C4 1
1338
- ATOM 79 P P . DA A 1 5 ? 20.938 15.427 16.041 1.00 10.00 ? 5 DA A P 1
1339
- ATOM 80 O OP1 . DA A 1 5 ? 20.553 14.188 16.757 1.00 10.00 ? 5 DA A OP1 1
1340
- ATOM 81 O OP2 . DA A 1 5 ? 21.644 15.272 14.758 1.00 10.00 ? 5 DA A OP2 1
1341
- ATOM 82 O "O5'" . DA A 1 5 ? 19.620 16.342 15.852 1.00 10.00 ? 5 DA A "O5'" 1
1342
- ATOM 83 C "C5'" . DA A 1 5 ? 18.772 16.506 17.037 1.00 10.00 ? 5 DA A "C5'" 1
1343
- ATOM 84 C "C4'" . DA A 1 5 ? 17.363 16.158 16.685 1.00 10.00 ? 5 DA A "C4'" 1
1344
- ATOM 85 O "O4'" . DA A 1 5 ? 16.709 17.338 16.145 1.00 10.00 ? 5 DA A "O4'" 1
1345
- ATOM 86 C "C3'" . DA A 1 5 ? 17.102 15.079 15.631 1.00 10.00 ? 5 DA A "C3'" 1
1346
- ATOM 87 O "O3'" . DA A 1 5 ? 15.836 14.461 15.858 1.00 10.00 ? 5 DA A "O3'" 1
1347
- ATOM 88 C "C2'" . DA A 1 5 ? 17.213 15.881 14.348 1.00 10.00 ? 5 DA A "C2'" 1
1348
- ATOM 89 C "C1'" . DA A 1 5 ? 16.567 17.191 14.726 1.00 10.00 ? 5 DA A "C1'" 1
1349
- ATOM 90 N N9 . DA A 1 5 ? 17.154 18.404 14.107 1.00 10.00 ? 5 DA A N9 1
1350
- ATOM 91 C C8 . DA A 1 5 ? 18.452 18.665 13.762 1.00 10.00 ? 5 DA A C8 1
1351
- ATOM 92 N N7 . DA A 1 5 ? 18.635 19.849 13.228 1.00 10.00 ? 5 DA A N7 1
1352
- ATOM 93 C C5 . DA A 1 5 ? 17.368 20.415 13.248 1.00 10.00 ? 5 DA A C5 1
1353
- ATOM 94 C C6 . DA A 1 5 ? 16.893 21.667 12.825 1.00 10.00 ? 5 DA A C6 1
1354
- ATOM 95 N N6 . DA A 1 5 ? 17.643 22.628 12.278 1.00 10.00 ? 5 DA A N6 1
1355
- ATOM 96 N N1 . DA A 1 5 ? 15.575 21.889 12.987 1.00 10.00 ? 5 DA A N1 1
1356
- ATOM 97 C C2 . DA A 1 5 ? 14.773 20.966 13.521 1.00 10.00 ? 5 DA A C2 1
1357
- ATOM 98 N N3 . DA A 1 5 ? 15.130 19.748 13.957 1.00 10.00 ? 5 DA A N3 1
1358
- ATOM 99 C C4 . DA A 1 5 ? 16.446 19.538 13.795 1.00 10.00 ? 5 DA A C4 1
1359
- ATOM 100 P P . DA A 1 6 ? 15.060 13.659 14.706 1.00 10.00 ? 6 DA A P 1
1360
- ATOM 101 O OP1 . DA A 1 6 ? 14.114 12.694 15.318 1.00 10.00 ? 6 DA A OP1 1
1361
- ATOM 102 O OP2 . DA A 1 6 ? 16.053 13.109 13.762 1.00 10.00 ? 6 DA A OP2 1
1362
- ATOM 103 O "O5'" . DA A 1 6 ? 14.197 14.848 14.023 1.00 10.00 ? 6 DA A "O5'" 1
1363
- ATOM 104 C "C5'" . DA A 1 6 ? 13.168 15.423 14.895 1.00 10.00 ? 6 DA A "C5'" 1
1364
- ATOM 105 C "C4'" . DA A 1 6 ? 12.160 16.099 14.010 1.00 10.00 ? 6 DA A "C4'" 1
1365
- ATOM 106 O "O4'" . DA A 1 6 ? 12.788 17.233 13.398 1.00 10.00 ? 6 DA A "O4'" 1
1366
- ATOM 107 C "C3'" . DA A 1 6 ? 11.539 15.272 12.883 1.00 10.00 ? 6 DA A "C3'" 1
1367
- ATOM 108 O "O3'" . DA A 1 6 ? 10.115 15.440 12.877 1.00 10.00 ? 6 DA A "O3'" 1
1368
- ATOM 109 C "C2'" . DA A 1 6 ? 12.266 15.763 11.646 1.00 10.00 ? 6 DA A "C2'" 1
1369
- ATOM 110 C "C1'" . DA A 1 6 ? 12.558 17.191 11.965 1.00 10.00 ? 6 DA A "C1'" 1
1370
- ATOM 111 N N9 . DA A 1 6 ? 13.775 17.791 11.392 1.00 10.00 ? 6 DA A N9 1
1371
- ATOM 112 C C8 . DA A 1 6 ? 15.001 17.245 11.178 1.00 10.00 ? 6 DA A C8 1
1372
- ATOM 113 N N7 . DA A 1 6 ? 15.882 18.098 10.683 1.00 10.00 ? 6 DA A N7 1
1373
- ATOM 114 C C5 . DA A 1 6 ? 15.184 19.294 10.598 1.00 10.00 ? 6 DA A C5 1
1374
- ATOM 115 C C6 . DA A 1 6 ? 15.554 20.575 10.156 1.00 10.00 ? 6 DA A C6 1
1375
- ATOM 116 N N6 . DA A 1 6 ? 16.769 20.924 9.713 1.00 10.00 ? 6 DA A N6 1
1376
- ATOM 117 N N1 . DA A 1 6 ? 14.605 21.532 10.221 1.00 10.00 ? 6 DA A N1 1
1377
- ATOM 118 C C2 . DA A 1 6 ? 13.382 21.243 10.650 1.00 10.00 ? 6 DA A C2 1
1378
- ATOM 119 N N3 . DA A 1 6 ? 12.922 20.063 11.106 1.00 10.00 ? 6 DA A N3 1
1379
- ATOM 120 C C4 . DA A 1 6 ? 13.887 19.126 11.047 1.00 10.00 ? 6 DA A C4 1
1380
- ATOM 121 P P . DT A 1 7 ? 9.172 15.137 11.633 1.00 10.00 ? 7 DT A P 1
1381
- ATOM 122 O OP1 . DT A 1 7 ? 7.750 15.171 12.063 1.00 10.00 ? 7 DT A OP1 1
1382
- ATOM 123 O OP2 . DT A 1 7 ? 9.601 13.865 10.982 1.00 10.00 ? 7 DT A OP2 1
1383
- ATOM 124 O "O5'" . DT A 1 7 ? 9.500 16.393 10.683 1.00 10.00 ? 7 DT A "O5'" 1
1384
- ATOM 125 C "C5'" . DT A 1 7 ? 8.693 17.594 10.768 1.00 10.00 ? 7 DT A "C5'" 1
1385
- ATOM 126 C "C4'" . DT A 1 7 ? 8.872 18.404 9.498 1.00 10.00 ? 7 DT A "C4'" 1
1386
- ATOM 127 O "O4'" . DT A 1 7 ? 10.265 18.761 9.413 1.00 10.00 ? 7 DT A "O4'" 1
1387
- ATOM 128 C "C3'" . DT A 1 7 ? 8.561 17.678 8.196 1.00 10.00 ? 7 DT A "C3'" 1
1388
- ATOM 129 O "O3'" . DT A 1 7 ? 7.215 17.762 7.792 1.00 10.00 ? 7 DT A "O3'" 1
1389
- ATOM 130 C "C2'" . DT A 1 7 ? 9.583 18.190 7.213 1.00 10.00 ? 7 DT A "C2'" 1
1390
- ATOM 131 C "C1'" . DT A 1 7 ? 10.542 18.992 8.020 1.00 10.00 ? 7 DT A "C1'" 1
1391
- ATOM 132 N N1 . DT A 1 7 ? 11.968 18.728 7.779 1.00 10.00 ? 7 DT A N1 1
1392
- ATOM 133 C C2 . DT A 1 7 ? 12.736 19.790 7.343 1.00 10.00 ? 7 DT A C2 1
1393
- ATOM 134 O O2 . DT A 1 7 ? 12.292 20.907 7.128 1.00 10.00 ? 7 DT A O2 1
1394
- ATOM 135 N N3 . DT A 1 7 ? 14.060 19.488 7.148 1.00 10.00 ? 7 DT A N3 1
1395
- ATOM 136 C C4 . DT A 1 7 ? 14.688 18.278 7.317 1.00 10.00 ? 7 DT A C4 1
1396
- ATOM 137 O O4 . DT A 1 7 ? 15.903 18.194 7.109 1.00 10.00 ? 7 DT A O4 1
1397
- ATOM 138 C C5 . DT A 1 7 ? 13.817 17.224 7.779 1.00 10.00 ? 7 DT A C5 1
1398
- ATOM 139 C C7 . DT A 1 7 ? 14.398 15.864 8.020 1.00 10.00 ? 7 DT A C7 1
1399
- ATOM 140 C C6 . DT A 1 7 ? 12.532 17.485 7.994 1.00 10.00 ? 7 DT A C6 1
1400
- ATOM 141 P P . DT A 1 8 ? 6.364 18.937 7.200 1.00 10.00 ? 8 DT A P 1
1401
- ATOM 142 O OP1 . DT A 1 8 ? 5.721 19.697 8.320 1.00 10.00 ? 8 DT A OP1 1
1402
- ATOM 143 O OP2 . DT A 1 8 ? 5.351 18.421 6.237 1.00 10.00 ? 8 DT A OP2 1
1403
- ATOM 144 O "O5'" . DT A 1 8 ? 7.393 19.886 6.393 1.00 10.00 ? 8 DT A "O5'" 1
1404
- ATOM 145 C "C5'" . DT A 1 8 ? 6.979 21.218 6.022 1.00 10.00 ? 8 DT A "C5'" 1
1405
- ATOM 146 C "C4'" . DT A 1 8 ? 7.817 21.864 4.974 1.00 10.00 ? 8 DT A "C4'" 1
1406
- ATOM 147 O "O4'" . DT A 1 8 ? 9.215 21.604 5.221 1.00 10.00 ? 8 DT A "O4'" 1
1407
- ATOM 148 C "C3'" . DT A 1 8 ? 7.556 21.457 3.528 1.00 10.00 ? 8 DT A "C3'" 1
1408
- ATOM 149 O "O3'" . DT A 1 8 ? 6.481 22.120 2.903 1.00 10.00 ? 8 DT A "O3'" 1
1409
- ATOM 150 C "C2'" . DT A 1 8 ? 8.900 21.625 2.877 1.00 10.00 ? 8 DT A "C2'" 1
1410
- ATOM 151 C "C1'" . DT A 1 8 ? 9.916 21.650 3.958 1.00 10.00 ? 8 DT A "C1'" 1
1411
- ATOM 152 N N1 . DT A 1 8 ? 10.901 20.558 3.971 1.00 10.00 ? 8 DT A N1 1
1412
- ATOM 153 C C2 . DT A 1 8 ? 12.230 20.882 3.763 1.00 10.00 ? 8 DT A C2 1
1413
- ATOM 154 O O2 . DT A 1 8 ? 12.620 22.003 3.522 1.00 10.00 ? 8 DT A O2 1
1414
- ATOM 155 N N3 . DT A 1 8 ? 13.093 19.819 3.821 1.00 10.00 ? 8 DT A N3 1
1415
- ATOM 156 C C4 . DT A 1 8 ? 12.785 18.497 4.069 1.00 10.00 ? 8 DT A C4 1
1416
- ATOM 157 O O4 . DT A 1 8 ? 13.690 17.669 4.108 1.00 10.00 ? 8 DT A O4 1
1417
- ATOM 158 C C5 . DT A 1 8 ? 11.382 18.245 4.284 1.00 10.00 ? 8 DT A C5 1
1418
- ATOM 159 C C7 . DT A 1 8 ? 10.919 16.846 4.564 1.00 10.00 ? 8 DT A C7 1
1419
- ATOM 160 C C6 . DT A 1 8 ? 10.521 19.261 4.231 1.00 10.00 ? 8 DT A C6 1
1420
- ATOM 161 P P . DA A 1 9 ? 6.230 23.582 2.376 1.00 10.00 ? 9 DA A P 1
1421
- ATOM 162 O OP1 . DA A 1 9 ? 5.961 24.552 3.483 1.00 10.00 ? 9 DA A OP1 1
1422
- ATOM 163 O OP2 . DA A 1 9 ? 5.100 23.527 1.374 1.00 10.00 ? 9 DA A OP2 1
1423
- ATOM 164 O "O5'" . DA A 1 9 ? 7.548 24.027 1.621 1.00 10.00 ? 9 DA A "O5'" 1
1424
- ATOM 165 C "C5'" . DA A 1 9 ? 8.334 25.173 2.005 1.00 10.00 ? 9 DA A "C5'" 1
1425
- ATOM 166 C "C4'" . DA A 1 9 ? 9.412 25.370 0.976 1.00 10.00 ? 9 DA A "C4'" 1
1426
- ATOM 167 O "O4'" . DA A 1 9 ? 10.397 24.342 1.035 1.00 10.00 ? 9 DA A "O4'" 1
1427
- ATOM 168 C "C3'" . DA A 1 9 ? 8.923 25.425 -0.475 1.00 10.00 ? 9 DA A "C3'" 1
1428
- ATOM 169 O "O3'" . DA A 1 9 ? 9.218 26.739 -0.983 1.00 10.00 ? 9 DA A "O3'" 1
1429
- ATOM 170 C "C2'" . DA A 1 9 ? 9.598 24.253 -1.152 1.00 10.00 ? 9 DA A "C2'" 1
1430
- ATOM 171 C "C1'" . DA A 1 9 ? 10.834 24.027 -0.339 1.00 10.00 ? 9 DA A "C1'" 1
1431
- ATOM 172 N N9 . DA A 1 9 ? 11.462 22.666 -0.254 1.00 10.00 ? 9 DA A N9 1
1432
- ATOM 173 C C8 . DA A 1 9 ? 12.798 22.326 -0.241 1.00 10.00 ? 9 DA A C8 1
1433
- ATOM 174 N N7 . DA A 1 9 ? 13.018 21.041 -0.072 1.00 10.00 ? 9 DA A N7 1
1434
- ATOM 175 C C5 . DA A 1 9 ? 11.744 20.504 0.046 1.00 10.00 ? 9 DA A C5 1
1435
- ATOM 176 C C6 . DA A 1 9 ? 11.289 19.177 0.221 1.00 10.00 ? 9 DA A C6 1
1436
- ATOM 177 N N6 . DA A 1 9 ? 12.106 18.123 0.319 1.00 10.00 ? 9 DA A N6 1
1437
- ATOM 178 N N1 . DA A 1 9 ? 9.955 18.988 0.306 1.00 10.00 ? 9 DA A N1 1
1438
- ATOM 179 C C2 . DA A 1 9 ? 9.141 20.042 0.202 1.00 10.00 ? 9 DA A C2 1
1439
- ATOM 180 N N3 . DA A 1 9 ? 9.456 21.323 0.026 1.00 10.00 ? 9 DA A N3 1
1440
- ATOM 181 C C4 . DA A 1 9 ? 10.787 21.490 -0.039 1.00 10.00 ? 9 DA A C4 1
1441
- ATOM 182 P P . DG A 1 10 ? 8.732 27.180 -2.428 1.00 10.00 ? 10 DG A P 1
1442
- ATOM 183 O OP1 . DG A 1 10 ? 8.686 28.662 -2.506 1.00 10.00 ? 10 DG A OP1 1
1443
- ATOM 184 O OP2 . DG A 1 10 ? 7.499 26.458 -2.799 1.00 10.00 ? 10 DG A OP2 1
1444
- ATOM 185 O "O5'" . DG A 1 10 ? 9.968 26.659 -3.327 1.00 10.00 ? 10 DG A "O5'" 1
1445
- ATOM 186 C "C5'" . DG A 1 10 ? 11.283 27.239 -3.112 1.00 10.00 ? 10 DG A "C5'" 1
1446
- ATOM 187 C "C4'" . DG A 1 10 ? 12.235 26.567 -4.082 1.00 10.00 ? 10 DG A "C4'" 1
1447
- ATOM 188 O "O4'" . DG A 1 10 ? 12.400 25.194 -3.626 1.00 10.00 ? 10 DG A "O4'" 1
1448
- ATOM 189 C "C3'" . DG A 1 10 ? 11.819 26.500 -5.547 1.00 10.00 ? 10 DG A "C3'" 1
1449
- ATOM 190 O "O3'" . DG A 1 10 ? 12.863 26.487 -6.490 1.00 10.00 ? 10 DG A "O3'" 1
1450
- ATOM 191 C "C2'" . DG A 1 10 ? 11.074 25.135 -5.553 1.00 10.00 ? 10 DG A "C2'" 1
1451
- ATOM 192 C "C1'" . DG A 1 10 ? 12.087 24.333 -4.746 1.00 10.00 ? 10 DG A "C1'" 1
1452
- ATOM 193 N N9 . DG A 1 10 ? 11.656 23.019 -4.264 1.00 10.00 ? 10 DG A N9 1
1453
- ATOM 194 C C8 . DG A 1 10 ? 10.392 22.549 -3.984 1.00 10.00 ? 10 DG A C8 1
1454
- ATOM 195 N N7 . DG A 1 10 ? 10.363 21.314 -3.600 1.00 10.00 ? 10 DG A N7 1
1455
- ATOM 196 C C5 . DG A 1 10 ? 11.700 20.928 -3.607 1.00 10.00 ? 10 DG A C5 1
1456
- ATOM 197 C C6 . DG A 1 10 ? 12.286 19.689 -3.255 1.00 10.00 ? 10 DG A C6 1
1457
- ATOM 198 O O6 . DG A 1 10 ? 11.705 18.669 -2.864 1.00 10.00 ? 10 DG A O6 1
1458
- ATOM 199 N N1 . DG A 1 10 ? 13.667 19.710 -3.379 1.00 10.00 ? 10 DG A N1 1
1459
- ATOM 200 C C2 . DG A 1 10 ? 14.398 20.798 -3.789 1.00 10.00 ? 10 DG A C2 1
1460
- ATOM 201 N N2 . DG A 1 10 ? 15.730 20.625 -3.854 1.00 10.00 ? 10 DG A N2 1
1461
- ATOM 202 N N3 . DG A 1 10 ? 13.866 21.969 -4.121 1.00 10.00 ? 10 DG A N3 1
1462
- ATOM 203 C C4 . DG A 1 10 ? 12.514 21.957 -4.004 1.00 10.00 ? 10 DG A C4 1
1463
- ATOM 204 P P . DC A 1 11 ? 13.708 27.634 -7.141 1.00 10.00 ? 11 DC A P 1
1464
- ATOM 205 O OP1 . DC A 1 11 ? 13.915 28.788 -6.224 1.00 10.00 ? 11 DC A OP1 1
1465
- ATOM 206 O OP2 . DC A 1 11 ? 13.171 27.974 -8.483 1.00 10.00 ? 11 DC A OP2 1
1466
- ATOM 207 O "O5'" . DC A 1 11 ? 15.151 26.920 -7.356 1.00 10.00 ? 11 DC A "O5'" 1
1467
- ATOM 208 C "C5'" . DC A 1 11 ? 15.820 26.492 -6.165 1.00 10.00 ? 11 DC A "C5'" 1
1468
- ATOM 209 C "C4'" . DC A 1 11 ? 17.045 25.761 -6.380 1.00 10.00 ? 11 DC A "C4'" 1
1469
- ATOM 210 O "O4'" . DC A 1 11 ? 16.981 24.350 -6.054 1.00 10.00 ? 11 DC A "O4'" 1
1470
- ATOM 211 C "C3'" . DC A 1 11 ? 17.730 25.803 -7.753 1.00 10.00 ? 11 DC A "C3'" 1
1471
- ATOM 212 O "O3'" . DC A 1 11 ? 19.137 25.891 -7.545 1.00 10.00 ? 11 DC A "O3'" 1
1472
- ATOM 213 C "C2'" . DC A 1 11 ? 17.244 24.539 -8.411 1.00 10.00 ? 11 DC A "C2'" 1
1473
- ATOM 214 C "C1'" . DC A 1 11 ? 16.968 23.594 -7.278 1.00 10.00 ? 11 DC A "C1'" 1
1474
- ATOM 215 N N1 . DC A 1 11 ? 15.691 22.872 -7.291 1.00 10.00 ? 11 DC A N1 1
1475
- ATOM 216 C C2 . DC A 1 11 ? 15.727 21.490 -7.044 1.00 10.00 ? 11 DC A C2 1
1476
- ATOM 217 O O2 . DC A 1 11 ? 16.823 20.957 -6.829 1.00 10.00 ? 11 DC A O2 1
1477
- ATOM 218 N N3 . DC A 1 11 ? 14.564 20.810 -7.057 1.00 10.00 ? 11 DC A N3 1
1478
- ATOM 219 C C4 . DC A 1 11 ? 13.414 21.440 -7.272 1.00 10.00 ? 11 DC A C4 1
1479
- ATOM 220 N N4 . DC A 1 11 ? 12.276 20.722 -7.252 1.00 10.00 ? 11 DC A N4 1
1480
- ATOM 221 C C5 . DC A 1 11 ? 13.370 22.851 -7.500 1.00 10.00 ? 11 DC A C5 1
1481
- ATOM 222 C C6 . DC A 1 11 ? 14.510 23.519 -7.473 1.00 10.00 ? 11 DC A C6 1
1482
- ATOM 223 P P . DG A 1 12 ? 20.261 25.832 -8.645 1.00 10.00 ? 12 DG A P 1
1483
- ATOM 224 O OP1 . DG A 1 12 ? 21.605 25.912 -7.981 1.00 10.00 ? 12 DG A OP1 1
1484
- ATOM 225 O OP2 . DG A 1 12 ? 20.029 26.890 -9.674 1.00 10.00 ? 12 DG A OP2 1
1485
- ATOM 226 O "O5'" . DG A 1 12 ? 20.085 24.388 -9.329 1.00 10.00 ? 12 DG A "O5'" 1
1486
- ATOM 227 C "C5'" . DG A 1 12 ? 21.078 23.351 -9.179 1.00 10.00 ? 12 DG A "C5'" 1
1487
- ATOM 228 C "C4'" . DG A 1 12 ? 20.706 22.167 -10.025 1.00 10.00 ? 12 DG A "C4'" 1
1488
- ATOM 229 O "O4'" . DG A 1 12 ? 19.310 21.868 -9.791 1.00 10.00 ? 12 DG A "O4'" 1
1489
- ATOM 230 C "C3'" . DG A 1 12 ? 20.809 22.301 -11.529 1.00 10.00 ? 12 DG A "C3'" 1
1490
- ATOM 231 O "O3'" . DG A 1 12 ? 22.102 21.864 -12.017 1.00 10.00 ? 12 DG A "O3'" 1
1491
- ATOM 232 C "C2'" . DG A 1 12 ? 19.656 21.482 -12.083 1.00 10.00 ? 12 DG A "C2'" 1
1492
- ATOM 233 C "C1'" . DG A 1 12 ? 18.927 20.978 -10.878 1.00 10.00 ? 12 DG A "C1'" 1
1493
- ATOM 234 N N9 . DG A 1 12 ? 17.462 21.054 -10.924 1.00 10.00 ? 12 DG A N9 1
1494
- ATOM 235 C C8 . DG A 1 12 ? 16.686 22.154 -11.204 1.00 10.00 ? 12 DG A C8 1
1495
- ATOM 236 N N7 . DG A 1 12 ? 15.409 21.919 -11.119 1.00 10.00 ? 12 DG A N7 1
1496
- ATOM 237 C C5 . DG A 1 12 ? 15.334 20.588 -10.728 1.00 10.00 ? 12 DG A C5 1
1497
- ATOM 238 C C6 . DG A 1 12 ? 14.202 19.777 -10.494 1.00 10.00 ? 12 DG A C6 1
1498
- ATOM 239 O O6 . DG A 1 12 ? 13.010 20.122 -10.592 1.00 10.00 ? 12 DG A O6 1
1499
- ATOM 240 N N1 . DG A 1 12 ? 14.556 18.476 -10.143 1.00 10.00 ? 12 DG A N1 1
1500
- ATOM 241 C C2 . DG A 1 12 ? 15.843 18.026 -10.012 1.00 10.00 ? 12 DG A C2 1
1501
- ATOM 242 N N2 . DG A 1 12 ? 15.991 16.737 -9.680 1.00 10.00 ? 12 DG A N2 1
1502
- ATOM 243 N N3 . DG A 1 12 ? 16.924 18.778 -10.227 1.00 10.00 ? 12 DG A N3 1
1503
- ATOM 244 C C4 . DG A 1 12 ? 16.588 20.042 -10.585 1.00 10.00 ? 12 DG A C4 1
1504
- ATOM 245 O "O5'" . DC B 1 1 ? 9.727 12.055 -11.536 1.00 10.00 ? 13 DC B "O5'" 1
1505
- ATOM 246 C "C5'" . DC B 1 1 ? 9.601 11.581 -10.156 1.00 10.00 ? 13 DC B "C5'" 1
1506
- ATOM 247 C "C4'" . DC B 1 1 ? 10.958 11.094 -9.726 1.00 10.00 ? 13 DC B "C4'" 1
1507
- ATOM 248 O "O4'" . DC B 1 1 ? 11.917 12.152 -9.973 1.00 10.00 ? 13 DC B "O4'" 1
1508
- ATOM 249 C "C3'" . DC B 1 1 ? 11.188 10.716 -8.274 1.00 10.00 ? 13 DC B "C3'" 1
1509
- ATOM 250 O "O3'" . DC B 1 1 ? 12.346 9.868 -8.151 1.00 10.00 ? 13 DC B "O3'" 1
1510
- ATOM 251 C "C2'" . DC B 1 1 ? 11.413 12.081 -7.636 1.00 10.00 ? 13 DC B "C2'" 1
1511
- ATOM 252 C "C1'" . DC B 1 1 ? 12.178 12.811 -8.704 1.00 10.00 ? 13 DC B "C1'" 1
1512
- ATOM 253 N N1 . DC B 1 1 ? 11.857 14.205 -8.990 1.00 10.00 ? 13 DC B N1 1
1513
- ATOM 254 C C2 . DC B 1 1 ? 12.925 15.041 -9.400 1.00 10.00 ? 13 DC B C2 1
1514
- ATOM 255 O O2 . DC B 1 1 ? 14.078 14.571 -9.426 1.00 10.00 ? 13 DC B O2 1
1515
- ATOM 256 N N3 . DC B 1 1 ? 12.656 16.330 -9.732 1.00 10.00 ? 13 DC B N3 1
1516
- ATOM 257 C C4 . DC B 1 1 ? 11.402 16.767 -9.693 1.00 10.00 ? 13 DC B C4 1
1517
- ATOM 258 N N4 . DC B 1 1 ? 11.152 18.031 -10.025 1.00 10.00 ? 13 DC B N4 1
1518
- ATOM 259 C C5 . DC B 1 1 ? 10.322 15.923 -9.316 1.00 10.00 ? 13 DC B C5 1
1519
- ATOM 260 C C6 . DC B 1 1 ? 10.586 14.663 -9.003 1.00 10.00 ? 13 DC B C6 1
1520
- ATOM 261 P P . DG B 1 2 ? 12.928 9.414 -6.744 1.00 10.00 ? 14 DG B P 1
1521
- ATOM 262 O OP1 . DG B 1 2 ? 13.282 7.961 -6.829 1.00 10.00 ? 14 DG B OP1 1
1522
- ATOM 263 O OP2 . DG B 1 2 ? 11.971 9.779 -5.657 1.00 10.00 ? 14 DG B OP2 1
1523
- ATOM 264 O "O5'" . DG B 1 2 ? 14.246 10.279 -6.556 1.00 10.00 ? 14 DG B "O5'" 1
1524
- ATOM 265 C "C5'" . DG B 1 2 ? 15.471 9.926 -7.239 1.00 10.00 ? 14 DG B "C5'" 1
1525
- ATOM 266 C "C4'" . DG B 1 2 ? 16.485 10.968 -6.783 1.00 10.00 ? 14 DG B "C4'" 1
1526
- ATOM 267 O "O4'" . DG B 1 2 ? 15.962 12.265 -7.148 1.00 10.00 ? 14 DG B "O4'" 1
1527
- ATOM 268 C "C3'" . DG B 1 2 ? 16.715 10.980 -5.286 1.00 10.00 ? 14 DG B "C3'" 1
1528
- ATOM 269 O "O3'" . DG B 1 2 ? 18.095 10.985 -4.909 1.00 10.00 ? 14 DG B "O3'" 1
1529
- ATOM 270 C "C2'" . DG B 1 2 ? 16.011 12.223 -4.791 1.00 10.00 ? 14 DG B "C2'" 1
1530
- ATOM 271 C "C1'" . DG B 1 2 ? 16.068 13.122 -6.028 1.00 10.00 ? 14 DG B "C1'" 1
1531
- ATOM 272 N N9 . DG B 1 2 ? 15.001 14.125 -5.983 1.00 10.00 ? 14 DG B N9 1
1532
- ATOM 273 C C8 . DG B 1 2 ? 13.664 13.987 -5.664 1.00 10.00 ? 14 DG B C8 1
1533
- ATOM 274 N N7 . DG B 1 2 ? 13.010 15.104 -5.664 1.00 10.00 ? 14 DG B N7 1
1534
- ATOM 275 C C5 . DG B 1 2 ? 13.959 16.061 -6.002 1.00 10.00 ? 14 DG B C5 1
1535
- ATOM 276 C C6 . DG B 1 2 ? 13.825 17.455 -6.158 1.00 10.00 ? 14 DG B C6 1
1536
- ATOM 277 O O6 . DG B 1 2 ? 12.801 18.144 -6.041 1.00 10.00 ? 14 DG B O6 1
1537
- ATOM 278 N N1 . DG B 1 2 ? 15.032 18.047 -6.490 1.00 10.00 ? 14 DG B N1 1
1538
- ATOM 279 C C2 . DG B 1 2 ? 16.221 17.388 -6.666 1.00 10.00 ? 14 DG B C2 1
1539
- ATOM 280 N N2 . DG B 1 2 ? 17.294 18.123 -6.979 1.00 10.00 ? 14 DG B N2 1
1540
- ATOM 281 N N3 . DG B 1 2 ? 16.358 16.074 -6.536 1.00 10.00 ? 14 DG B N3 1
1541
- ATOM 282 C C4 . DG B 1 2 ? 15.189 15.478 -6.198 1.00 10.00 ? 14 DG B C4 1
1542
- ATOM 283 P P . DC B 1 3 ? 18.514 10.875 -3.379 1.00 10.00 ? 15 DC B P 1
1543
- ATOM 284 O OP1 . DC B 1 3 ? 19.310 9.607 -3.235 1.00 10.00 ? 15 DC B OP1 1
1544
- ATOM 285 O OP2 . DC B 1 3 ? 17.322 10.980 -2.493 1.00 10.00 ? 15 DC B OP2 1
1545
- ATOM 286 O "O5'" . DC B 1 3 ? 19.506 12.076 -3.138 1.00 10.00 ? 15 DC B "O5'" 1
1546
- ATOM 287 C "C5'" . DC B 1 3 ? 20.264 12.786 -4.127 1.00 10.00 ? 15 DC B "C5'" 1
1547
- ATOM 288 C "C4'" . DC B 1 3 ? 19.974 14.256 -3.841 1.00 10.00 ? 15 DC B "C4'" 1
1548
- ATOM 289 O "O4'" . DC B 1 3 ? 18.516 14.398 -3.971 1.00 10.00 ? 15 DC B "O4'" 1
1549
- ATOM 290 C "C3'" . DC B 1 3 ? 20.248 14.743 -2.435 1.00 10.00 ? 15 DC B "C3'" 1
1550
- ATOM 291 O "O3'" . DC B 1 3 ? 21.608 15.146 -2.194 1.00 10.00 ? 15 DC B "O3'" 1
1551
- ATOM 292 C "C2'" . DC B 1 3 ? 19.225 15.822 -2.207 1.00 10.00 ? 15 DC B "C2'" 1
1552
- ATOM 293 C "C1'" . DC B 1 3 ? 18.245 15.683 -3.340 1.00 10.00 ? 15 DC B "C1'" 1
1553
- ATOM 294 N N1 . DC B 1 3 ? 16.844 15.809 -2.962 1.00 10.00 ? 15 DC B N1 1
1554
- ATOM 295 C C2 . DC B 1 3 ? 16.229 17.069 -3.086 1.00 10.00 ? 15 DC B C2 1
1555
- ATOM 296 O O2 . DC B 1 3 ? 16.914 18.022 -3.489 1.00 10.00 ? 15 DC B O2 1
1556
- ATOM 297 N N3 . DC B 1 3 ? 14.918 17.187 -2.754 1.00 10.00 ? 15 DC B N3 1
1557
- ATOM 298 C C4 . DC B 1 3 ? 14.238 16.124 -2.337 1.00 10.00 ? 15 DC B C4 1
1558
- ATOM 299 N N4 . DC B 1 3 ? 12.953 16.254 -2.012 1.00 10.00 ? 15 DC B N4 1
1559
- ATOM 300 C C5 . DC B 1 3 ? 14.851 14.839 -2.213 1.00 10.00 ? 15 DC B C5 1
1560
- ATOM 301 C C6 . DC B 1 3 ? 16.133 14.734 -2.519 1.00 10.00 ? 15 DC B C6 1
1561
- ATOM 302 P P . DI B 1 4 ? 22.221 15.116 -0.710 1.00 10.00 ? 16 DI B P 1
1562
- ATOM 303 O OP1 . DI B 1 4 ? 23.433 14.260 -0.651 1.00 10.00 ? 16 DI B OP1 1
1563
- ATOM 304 O OP2 . DI B 1 4 ? 21.156 14.734 0.267 1.00 10.00 ? 16 DI B OP2 1
1564
- ATOM 305 O "O5'" . DI B 1 4 ? 22.691 16.620 -0.436 1.00 10.00 ? 16 DI B "O5'" 1
1565
- ATOM 306 C "C5'" . DI B 1 4 ? 23.177 17.468 -1.510 1.00 10.00 ? 16 DI B "C5'" 1
1566
- ATOM 307 C "C4'" . DI B 1 4 ? 22.386 18.757 -1.393 1.00 10.00 ? 16 DI B "C4'" 1
1567
- ATOM 308 O "O4'" . DI B 1 4 ? 21.003 18.421 -1.380 1.00 10.00 ? 16 DI B "O4'" 1
1568
- ATOM 309 C "C3'" . DI B 1 4 ? 22.657 19.563 -0.124 1.00 10.00 ? 16 DI B "C3'" 1
1569
- ATOM 310 O "O3'" . DI B 1 4 ? 23.531 20.663 -0.430 1.00 10.00 ? 16 DI B "O3'" 1
1570
- ATOM 311 C "C2'" . DI B 1 4 ? 21.303 19.945 0.404 1.00 10.00 ? 16 DI B "C2'" 1
1571
- ATOM 312 C "C1'" . DI B 1 4 ? 20.315 19.429 -0.573 1.00 10.00 ? 16 DI B "C1'" 1
1572
- ATOM 313 N N9 . DI B 1 4 ? 19.150 18.723 -0.020 1.00 10.00 ? 16 DI B N9 1
1573
- ATOM 314 C C8 . DI B 1 4 ? 19.113 17.497 0.599 1.00 10.00 ? 16 DI B C8 1
1574
- ATOM 315 N N7 . DI B 1 4 ? 17.914 17.128 0.937 1.00 10.00 ? 16 DI B N7 1
1575
- ATOM 316 C C5 . DI B 1 4 ? 17.097 18.165 0.488 1.00 10.00 ? 16 DI B C5 1
1576
- ATOM 317 C C6 . DI B 1 4 ? 15.696 18.320 0.586 1.00 10.00 ? 16 DI B C6 1
1577
- ATOM 318 O O6 . DI B 1 4 ? 14.866 17.535 1.074 1.00 10.00 ? 16 DI B O6 1
1578
- ATOM 319 N N1 . DI B 1 4 ? 15.270 19.525 0.033 1.00 10.00 ? 16 DI B N1 1
1579
- ATOM 320 C C2 . DI B 1 4 ? 16.097 20.453 -0.547 1.00 10.00 ? 16 DI B C2 1
1580
- ATOM 321 N N3 . DI B 1 4 ? 17.418 20.315 -0.638 1.00 10.00 ? 16 DI B N3 1
1581
- ATOM 322 C C4 . DI B 1 4 ? 17.842 19.147 -0.111 1.00 10.00 ? 16 DI B C4 1
1582
- ATOM 323 P P . DA B 1 5 ? 23.797 21.902 0.534 1.00 10.00 ? 17 DA B P 1
1583
- ATOM 324 O OP1 . DA B 1 5 ? 24.855 22.796 -0.007 1.00 10.00 ? 17 DA B OP1 1
1584
- ATOM 325 O OP2 . DA B 1 5 ? 24.059 21.385 1.901 1.00 10.00 ? 17 DA B OP2 1
1585
- ATOM 326 O "O5'" . DA B 1 5 ? 22.386 22.658 0.501 1.00 10.00 ? 17 DA B "O5'" 1
1586
- ATOM 327 C "C5'" . DA B 1 5 ? 22.091 23.586 -0.573 1.00 10.00 ? 17 DA B "C5'" 1
1587
- ATOM 328 C "C4'" . DA B 1 5 ? 21.016 24.501 -0.039 1.00 10.00 ? 17 DA B "C4'" 1
1588
- ATOM 329 O "O4'" . DA B 1 5 ? 19.863 23.737 0.280 1.00 10.00 ? 17 DA B "O4'" 1
1589
- ATOM 330 C "C3'" . DA B 1 5 ? 21.427 25.265 1.237 1.00 10.00 ? 17 DA B "C3'" 1
1590
- ATOM 331 O "O3'" . DA B 1 5 ? 21.316 26.643 0.963 1.00 10.00 ? 17 DA B "O3'" 1
1591
- ATOM 332 C "C2'" . DA B 1 5 ? 20.657 24.594 2.324 1.00 10.00 ? 17 DA B "C2'" 1
1592
- ATOM 333 C "C1'" . DA B 1 5 ? 19.486 23.913 1.654 1.00 10.00 ? 17 DA B "C1'" 1
1593
- ATOM 334 N N9 . DA B 1 5 ? 19.023 22.616 2.213 1.00 10.00 ? 17 DA B N9 1
1594
- ATOM 335 C C8 . DA B 1 5 ? 19.716 21.566 2.741 1.00 10.00 ? 17 DA B C8 1
1595
- ATOM 336 N N7 . DA B 1 5 ? 18.961 20.583 3.183 1.00 10.00 ? 17 DA B N7 1
1596
- ATOM 337 C C5 . DA B 1 5 ? 17.674 21.012 2.923 1.00 10.00 ? 17 DA B C5 1
1597
- ATOM 338 C C6 . DA B 1 5 ? 16.415 20.420 3.144 1.00 10.00 ? 17 DA B C6 1
1598
- ATOM 339 N N6 . DA B 1 5 ? 16.203 19.219 3.691 1.00 10.00 ? 17 DA B N6 1
1599
- ATOM 340 N N1 . DA B 1 5 ? 15.337 21.129 2.754 1.00 10.00 ? 17 DA B N1 1
1600
- ATOM 341 C C2 . DA B 1 5 ? 15.492 22.326 2.213 1.00 10.00 ? 17 DA B C2 1
1601
- ATOM 342 N N3 . DA B 1 5 ? 16.621 22.981 1.953 1.00 10.00 ? 17 DA B N3 1
1602
- ATOM 343 C C4 . DA B 1 5 ? 17.692 22.250 2.331 1.00 10.00 ? 17 DA B C4 1
1603
- ATOM 344 P P . DA B 1 6 ? 20.421 27.747 1.627 1.00 10.00 ? 18 DA B P 1
1604
- ATOM 345 O OP1 . DA B 1 6 ? 20.083 28.822 0.664 1.00 10.00 ? 18 DA B OP1 1
1605
- ATOM 346 O OP2 . DA B 1 6 ? 21.140 28.221 2.864 1.00 10.00 ? 18 DA B OP2 1
1606
- ATOM 347 O "O5'" . DA B 1 6 ? 19.088 26.991 2.077 1.00 10.00 ? 18 DA B "O5'" 1
1607
- ATOM 348 C "C5'" . DA B 1 6 ? 17.893 26.911 1.322 1.00 10.00 ? 18 DA B "C5'" 1
1608
- ATOM 349 C "C4'" . DA B 1 6 ? 16.683 27.272 2.122 1.00 10.00 ? 18 DA B "C4'" 1
1609
- ATOM 350 O "O4'" . DA B 1 6 ? 16.223 26.135 2.871 1.00 10.00 ? 18 DA B "O4'" 1
1610
- ATOM 351 C "C3'" . DA B 1 6 ? 16.795 28.402 3.157 1.00 10.00 ? 18 DA B "C3'" 1
1611
- ATOM 352 O "O3'" . DA B 1 6 ? 15.515 29.011 3.359 1.00 10.00 ? 18 DA B "O3'" 1
1612
- ATOM 353 C "C2'" . DA B 1 6 ? 17.275 27.621 4.381 1.00 10.00 ? 18 DA B "C2'" 1
1613
- ATOM 354 C "C1'" . DA B 1 6 ? 16.420 26.391 4.290 1.00 10.00 ? 18 DA B "C1'" 1
1614
- ATOM 355 N N9 . DA B 1 6 ? 16.970 25.131 4.824 1.00 10.00 ? 18 DA B N9 1
1615
- ATOM 356 C C8 . DA B 1 6 ? 18.258 24.711 5.013 1.00 10.00 ? 18 DA B C8 1
1616
- ATOM 357 N N7 . DA B 1 6 ? 18.359 23.493 5.488 1.00 10.00 ? 18 DA B N7 1
1617
- ATOM 358 C C5 . DA B 1 6 ? 17.048 23.061 5.599 1.00 10.00 ? 18 DA B C5 1
1618
- ATOM 359 C C6 . DA B 1 6 ? 16.472 21.860 6.035 1.00 10.00 ? 18 DA B C6 1
1619
- ATOM 360 N N6 . DA B 1 6 ? 17.159 20.793 6.458 1.00 10.00 ? 18 DA B N6 1
1620
- ATOM 361 N N1 . DA B 1 6 ? 15.127 21.793 6.022 1.00 10.00 ? 18 DA B N1 1
1621
- ATOM 362 C C2 . DA B 1 6 ? 14.404 22.826 5.631 1.00 10.00 ? 18 DA B C2 1
1622
- ATOM 363 N N3 . DA B 1 6 ? 14.830 24.014 5.195 1.00 10.00 ? 18 DA B N3 1
1623
- ATOM 364 C C4 . DA B 1 6 ? 16.177 24.064 5.201 1.00 10.00 ? 18 DA B C4 1
1624
- ATOM 365 P P . DT B 1 7 ? 15.275 30.434 4.030 1.00 10.00 ? 19 DT B P 1
1625
- ATOM 366 O OP1 . DT B 1 7 ? 14.401 31.249 3.131 1.00 10.00 ? 19 DT B OP1 1
1626
- ATOM 367 O OP2 . DT B 1 7 ? 16.559 31.031 4.453 1.00 10.00 ? 19 DT B OP2 1
1627
- ATOM 368 O "O5'" . DT B 1 7 ? 14.398 30.065 5.351 1.00 10.00 ? 19 DT B "O5'" 1
1628
- ATOM 369 C "C5'" . DT B 1 7 ? 13.150 29.372 5.104 1.00 10.00 ? 19 DT B "C5'" 1
1629
- ATOM 370 C "C4'" . DT B 1 7 ? 12.966 28.356 6.184 1.00 10.00 ? 19 DT B "C4'" 1
1630
- ATOM 371 O "O4'" . DT B 1 7 ? 13.470 27.050 6.276 1.00 10.00 ? 19 DT B "O4'" 1
1631
- ATOM 372 C "C3'" . DT B 1 7 ? 12.498 28.839 7.545 1.00 10.00 ? 19 DT B "C3'" 1
1632
- ATOM 373 O "O3'" . DT B 1 7 ? 11.095 29.170 7.506 1.00 10.00 ? 19 DT B "O3'" 1
1633
- ATOM 374 C "C2'" . DT B 1 7 ? 12.884 27.730 8.476 1.00 10.00 ? 19 DT B "C2'" 1
1634
- ATOM 375 C "C1'" . DT B 1 7 ? 13.222 26.542 7.610 1.00 10.00 ? 19 DT B "C1'" 1
1635
- ATOM 376 N N1 . DT B 1 7 ? 14.411 25.807 8.085 1.00 10.00 ? 19 DT B N1 1
1636
- ATOM 377 C C2 . DT B 1 7 ? 14.233 24.573 8.678 1.00 10.00 ? 19 DT B C2 1
1637
- ATOM 378 O O2 . DT B 1 7 ? 13.155 24.022 8.847 1.00 10.00 ? 19 DT B O2 1
1638
- ATOM 379 N N3 . DT B 1 7 ? 15.401 23.980 9.068 1.00 10.00 ? 19 DT B N3 1
1639
- ATOM 380 C C4 . DT B 1 7 ? 16.689 24.455 8.964 1.00 10.00 ? 19 DT B C4 1
1640
- ATOM 381 O O4 . DT B 1 7 ? 17.622 23.771 9.381 1.00 10.00 ? 19 DT B O4 1
1641
- ATOM 382 C C5 . DT B 1 7 ? 16.777 25.752 8.346 1.00 10.00 ? 19 DT B C5 1
1642
- ATOM 383 C C7 . DT B 1 7 ? 18.116 26.399 8.177 1.00 10.00 ? 19 DT B C7 1
1643
- ATOM 384 C C6 . DT B 1 7 ? 15.665 26.361 7.942 1.00 10.00 ? 19 DT B C6 1
1644
- ATOM 385 P P . DT B 1 8 ? 10.278 29.645 8.795 1.00 10.00 ? 20 DT B P 1
1645
- ATOM 386 O OP1 . DT B 1 8 ? 8.866 29.922 8.437 1.00 10.00 ? 20 DT B OP1 1
1646
- ATOM 387 O OP2 . DT B 1 8 ? 11.017 30.732 9.485 1.00 10.00 ? 20 DT B OP2 1
1647
- ATOM 388 O "O5'" . DT B 1 8 ? 10.311 28.305 9.687 1.00 10.00 ? 20 DT B "O5'" 1
1648
- ATOM 389 C "C5'" . DT B 1 8 ? 9.867 27.079 9.068 1.00 10.00 ? 20 DT B "C5'" 1
1649
- ATOM 390 C "C4'" . DT B 1 8 ? 9.453 26.076 10.090 1.00 10.00 ? 20 DT B "C4'" 1
1650
- ATOM 391 O "O4'" . DT B 1 8 ? 10.542 25.223 10.436 1.00 10.00 ? 20 DT B "O4'" 1
1651
- ATOM 392 C "C3'" . DT B 1 8 ? 8.900 26.613 11.406 1.00 10.00 ? 20 DT B "C3'" 1
1652
- ATOM 393 O "O3'" . DT B 1 8 ? 7.698 25.912 11.725 1.00 10.00 ? 20 DT B "O3'" 1
1653
- ATOM 394 C "C2'" . DT B 1 8 ? 10.056 26.483 12.356 1.00 10.00 ? 20 DT B "C2'" 1
1654
- ATOM 395 C "C1'" . DT B 1 8 ? 10.834 25.316 11.829 1.00 10.00 ? 20 DT B "C1'" 1
1655
- ATOM 396 N N1 . DT B 1 8 ? 12.299 25.349 11.920 1.00 10.00 ? 20 DT B N1 1
1656
- ATOM 397 C C2 . DT B 1 8 ? 12.948 24.195 12.317 1.00 10.00 ? 20 DT B C2 1
1657
- ATOM 398 O O2 . DT B 1 8 ? 12.408 23.149 12.642 1.00 10.00 ? 20 DT B O2 1
1658
- ATOM 399 N N3 . DT B 1 8 ? 14.310 24.308 12.343 1.00 10.00 ? 20 DT B N3 1
1659
- ATOM 400 C C4 . DT B 1 8 ? 15.099 25.383 12.004 1.00 10.00 ? 20 DT B C4 1
1660
- ATOM 401 O O4 . DT B 1 8 ? 16.324 25.286 12.083 1.00 10.00 ? 20 DT B O4 1
1661
- ATOM 402 C C5 . DT B 1 8 ? 14.341 26.529 11.581 1.00 10.00 ? 20 DT B C5 1
1662
- ATOM 403 C C7 . DT B 1 8 ? 15.068 27.781 11.197 1.00 10.00 ? 20 DT B C7 1
1663
- ATOM 404 C C6 . DT B 1 8 ? 13.013 26.470 11.542 1.00 10.00 ? 20 DT B C6 1
1664
- ATOM 405 P P . DA B 1 9 ? 7.057 26.126 13.170 1.00 10.00 ? 21 DA B P 1
1665
- ATOM 406 O OP1 . DA B 1 9 ? 5.669 25.597 13.157 1.00 10.00 ? 21 DA B OP1 1
1666
- ATOM 407 O OP2 . DA B 1 9 ? 7.240 27.541 13.593 1.00 10.00 ? 21 DA B OP2 1
1667
- ATOM 408 O "O5'" . DA B 1 9 ? 7.993 25.202 14.094 1.00 10.00 ? 21 DA B "O5'" 1
1668
- ATOM 409 C "C5'" . DA B 1 9 ? 7.654 23.800 14.289 1.00 10.00 ? 21 DA B "C5'" 1
1669
- ATOM 410 C "C4'" . DA B 1 9 ? 8.375 23.300 15.513 1.00 10.00 ? 21 DA B "C4'" 1
1670
- ATOM 411 O "O4'" . DA B 1 9 ? 9.789 23.380 15.279 1.00 10.00 ? 21 DA B "O4'" 1
1671
- ATOM 412 C "C3'" . DA B 1 9 ? 8.109 24.048 16.822 1.00 10.00 ? 21 DA B "C3'" 1
1672
- ATOM 413 O "O3'" . DA B 1 9 ? 7.274 23.246 17.681 1.00 10.00 ? 21 DA B "O3'" 1
1673
- ATOM 414 C "C2'" . DA B 1 9 ? 9.489 24.375 17.356 1.00 10.00 ? 21 DA B "C2'" 1
1674
- ATOM 415 C "C1'" . DA B 1 9 ? 10.392 23.435 16.620 1.00 10.00 ? 21 DA B "C1'" 1
1675
- ATOM 416 N N9 . DA B 1 9 ? 11.790 23.800 16.379 1.00 10.00 ? 21 DA B N9 1
1676
- ATOM 417 C C8 . DA B 1 9 ? 12.889 22.968 16.379 1.00 10.00 ? 21 DA B C8 1
1677
- ATOM 418 N N7 . DA B 1 9 ? 14.011 23.565 16.067 1.00 10.00 ? 21 DA B N7 1
1678
- ATOM 419 C C5 . DA B 1 9 ? 13.628 24.871 15.819 1.00 10.00 ? 21 DA B C5 1
1679
- ATOM 420 C C6 . DA B 1 9 ? 14.357 26.013 15.435 1.00 10.00 ? 21 DA B C6 1
1680
- ATOM 421 N N6 . DA B 1 9 ? 15.675 26.013 15.227 1.00 10.00 ? 21 DA B N6 1
1681
- ATOM 422 N N1 . DA B 1 9 ? 13.669 27.163 15.279 1.00 10.00 ? 21 DA B N1 1
1682
- ATOM 423 C C2 . DA B 1 9 ? 12.343 27.163 15.474 1.00 10.00 ? 21 DA B C2 1
1683
- ATOM 424 N N3 . DA B 1 9 ? 11.550 26.147 15.826 1.00 10.00 ? 21 DA B N3 1
1684
- ATOM 425 C C4 . DA B 1 9 ? 12.266 25.026 15.982 1.00 10.00 ? 21 DA B C4 1
1685
- ATOM 426 P P . DG B 1 10 ? 6.695 23.749 19.074 1.00 10.00 ? 22 DG B P 1
1686
- ATOM 427 O OP1 . DG B 1 10 ? 5.351 23.157 19.315 1.00 10.00 ? 22 DG B OP1 1
1687
- ATOM 428 O OP2 . DG B 1 10 ? 6.749 25.236 19.133 1.00 10.00 ? 22 DG B OP2 1
1688
- ATOM 429 O "O5'" . DG B 1 10 ? 7.726 23.124 20.155 1.00 10.00 ? 22 DG B "O5'" 1
1689
- ATOM 430 C "C5'" . DG B 1 10 ? 8.455 21.910 19.940 1.00 10.00 ? 22 DG B "C5'" 1
1690
- ATOM 431 C "C4'" . DG B 1 10 ? 9.681 21.738 20.786 1.00 10.00 ? 22 DG B "C4'" 1
1691
- ATOM 432 O "O4'" . DG B 1 10 ? 10.808 22.414 20.161 1.00 10.00 ? 22 DG B "O4'" 1
1692
- ATOM 433 C "C3'" . DG B 1 10 ? 9.673 22.221 22.232 1.00 10.00 ? 22 DG B "C3'" 1
1693
- ATOM 434 O "O3'" . DG B 1 10 ? 10.554 21.474 23.091 1.00 10.00 ? 22 DG B "O3'" 1
1694
- ATOM 435 C "C2'" . DG B 1 10 ? 10.174 23.661 22.049 1.00 10.00 ? 22 DG B "C2'" 1
1695
- ATOM 436 C "C1'" . DG B 1 10 ? 11.333 23.376 21.099 1.00 10.00 ? 22 DG B "C1'" 1
1696
- ATOM 437 N N9 . DG B 1 10 ? 11.912 24.530 20.422 1.00 10.00 ? 22 DG B N9 1
1697
- ATOM 438 C C8 . DG B 1 10 ? 11.333 25.731 20.038 1.00 10.00 ? 22 DG B C8 1
1698
- ATOM 439 N N7 . DG B 1 10 ? 12.149 26.554 19.458 1.00 10.00 ? 22 DG B N7 1
1699
- ATOM 440 C C5 . DG B 1 10 ? 13.362 25.866 19.439 1.00 10.00 ? 22 DG B C5 1
1700
- ATOM 441 C C6 . DG B 1 10 ? 14.623 26.260 18.938 1.00 10.00 ? 22 DG B C6 1
1701
- ATOM 442 O O6 . DG B 1 10 ? 14.921 27.331 18.397 1.00 10.00 ? 22 DG B O6 1
1702
- ATOM 443 N N1 . DG B 1 10 ? 15.587 25.278 19.126 1.00 10.00 ? 22 DG B N1 1
1703
- ATOM 444 C C2 . DG B 1 10 ? 15.363 24.069 19.745 1.00 10.00 ? 22 DG B C2 1
1704
- ATOM 445 N N2 . DG B 1 10 ? 16.399 23.241 19.842 1.00 10.00 ? 22 DG B N2 1
1705
- ATOM 446 N N3 . DG B 1 10 ? 14.189 23.682 20.214 1.00 10.00 ? 22 DG B N3 1
1706
- ATOM 447 C C4 . DG B 1 10 ? 13.235 24.631 20.031 1.00 10.00 ? 22 DG B C4 1
1707
- ATOM 448 P P . DC B 1 11 ? 9.988 20.436 24.172 1.00 10.00 ? 23 DC B P 1
1708
- ATOM 449 O OP1 . DC B 1 11 ? 9.190 19.395 23.475 1.00 10.00 ? 23 DC B OP1 1
1709
- ATOM 450 O OP2 . DC B 1 11 ? 9.277 21.201 25.226 1.00 10.00 ? 23 DC B OP2 1
1710
- ATOM 451 O "O5'" . DC B 1 11 ? 11.320 19.773 24.771 1.00 10.00 ? 23 DC B "O5'" 1
1711
- ATOM 452 C "C5'" . DC B 1 11 ? 12.183 18.988 23.931 1.00 10.00 ? 23 DC B "C5'" 1
1712
- ATOM 453 C "C4'" . DC B 1 11 ? 13.646 19.143 24.295 1.00 10.00 ? 23 DC B "C4'" 1
1713
- ATOM 454 O "O4'" . DC B 1 11 ? 14.186 20.193 23.482 1.00 10.00 ? 23 DC B "O4'" 1
1714
- ATOM 455 C "C3'" . DC B 1 11 ? 13.972 19.462 25.728 1.00 10.00 ? 23 DC B "C3'" 1
1715
- ATOM 456 O "O3'" . DC B 1 11 ? 14.703 18.429 26.437 1.00 10.00 ? 23 DC B "O3'" 1
1716
- ATOM 457 C "C2'" . DC B 1 11 ? 14.696 20.768 25.714 1.00 10.00 ? 23 DC B "C2'" 1
1717
- ATOM 458 C "C1'" . DC B 1 11 ? 14.941 21.113 24.282 1.00 10.00 ? 23 DC B "C1'" 1
1718
- ATOM 459 N N1 . DC B 1 11 ? 14.600 22.494 23.924 1.00 10.00 ? 23 DC B N1 1
1719
- ATOM 460 C C2 . DC B 1 11 ? 15.626 23.346 23.488 1.00 10.00 ? 23 DC B C2 1
1720
- ATOM 461 O O2 . DC B 1 11 ? 16.769 22.880 23.410 1.00 10.00 ? 23 DC B O2 1
1721
- ATOM 462 N N3 . DC B 1 11 ? 15.332 24.623 23.169 1.00 10.00 ? 23 DC B N3 1
1722
- ATOM 463 C C4 . DC B 1 11 ? 14.078 25.060 23.260 1.00 10.00 ? 23 DC B C4 1
1723
- ATOM 464 N N4 . DC B 1 11 ? 13.812 26.323 22.922 1.00 10.00 ? 23 DC B N4 1
1724
- ATOM 465 C C5 . DC B 1 11 ? 13.018 24.203 23.703 1.00 10.00 ? 23 DC B C5 1
1725
- ATOM 466 C C6 . DC B 1 11 ? 13.315 22.952 24.015 1.00 10.00 ? 23 DC B C6 1
1726
- ATOM 467 P P . DG B 1 12 ? 14.892 18.576 28.026 1.00 10.00 ? 24 DG B P 1
1727
- ATOM 468 O OP1 . DG B 1 12 ? 14.745 17.249 28.696 1.00 10.00 ? 24 DG B OP1 1
1728
- ATOM 469 O OP2 . DG B 1 12 ? 13.974 19.618 28.592 1.00 10.00 ? 24 DG B OP2 1
1729
- ATOM 470 O "O5'" . DG B 1 12 ? 16.376 19.089 28.162 1.00 10.00 ? 24 DG B "O5'" 1
1730
- ATOM 471 C "C5'" . DG B 1 12 ? 17.443 18.782 27.270 1.00 10.00 ? 24 DG B "C5'" 1
1731
- ATOM 472 C "C4'" . DG B 1 12 ? 18.581 19.739 27.492 1.00 10.00 ? 24 DG B "C4'" 1
1732
- ATOM 473 O "O4'" . DG B 1 12 ? 18.555 20.718 26.418 1.00 10.00 ? 24 DG B "O4'" 1
1733
- ATOM 474 C "C3'" . DG B 1 12 ? 18.651 20.567 28.768 1.00 10.00 ? 24 DG B "C3'" 1
1734
- ATOM 475 O "O3'" . DG B 1 12 ? 19.142 19.815 29.881 1.00 10.00 ? 24 DG B "O3'" 1
1735
- ATOM 476 C "C2'" . DG B 1 12 ? 19.581 21.692 28.331 1.00 10.00 ? 24 DG B "C2'" 1
1736
- ATOM 477 C "C1'" . DG B 1 12 ? 19.013 21.977 26.964 1.00 10.00 ? 24 DG B "C1'" 1
1737
- ATOM 478 N N9 . DG B 1 12 ? 17.831 22.859 26.984 1.00 10.00 ? 24 DG B N9 1
1738
- ATOM 479 C C8 . DG B 1 12 ? 16.549 22.574 27.394 1.00 10.00 ? 24 DG B C8 1
1739
- ATOM 480 N N7 . DG B 1 12 ? 15.730 23.577 27.251 1.00 10.00 ? 24 DG B N7 1
1740
- ATOM 481 C C5 . DG B 1 12 ? 16.521 24.593 26.724 1.00 10.00 ? 24 DG B C5 1
1741
- ATOM 482 C C6 . DG B 1 12 ? 16.187 25.925 26.379 1.00 10.00 ? 24 DG B C6 1
1742
- ATOM 483 O O6 . DG B 1 12 ? 15.089 26.479 26.470 1.00 10.00 ? 24 DG B O6 1
1743
- ATOM 484 N N1 . DG B 1 12 ? 17.288 26.630 25.903 1.00 10.00 ? 24 DG B N1 1
1744
- ATOM 485 C C2 . DG B 1 12 ? 18.558 26.113 25.780 1.00 10.00 ? 24 DG B C2 1
1745
- ATOM 486 N N2 . DG B 1 12 ? 19.504 26.928 25.298 1.00 10.00 ? 24 DG B N2 1
1746
- ATOM 487 N N3 . DG B 1 12 ? 18.878 24.871 26.092 1.00 10.00 ? 24 DG B N3 1
1747
- ATOM 488 C C4 . DG B 1 12 ? 17.818 24.169 26.554 1.00 10.00 ? 24 DG B C4 1
1748
- HETATM 489 O O . HOH C 2 . ? 12.651 12.740 9.179 1.00 10.00 ? 25 HOH A O 1
1749
- HETATM 490 O O . HOH C 2 . ? 12.160 24.552 3.782 1.00 10.00 ? 26 HOH A O 1
1750
- HETATM 491 O O . HOH C 2 . ? 20.913 31.283 18.091 1.00 10.00 ? 27 HOH A O 1
1751
- HETATM 492 O O . HOH C 2 . ? 17.792 25.517 -11.809 1.00 10.00 ? 28 HOH A O 1
1752
- HETATM 493 O O . HOH C 2 . ? 23.658 27.016 -6.738 1.00 10.00 ? 30 HOH A O 1
1753
- HETATM 494 O O . HOH C 2 . ? 11.188 29.746 -0.833 1.00 10.00 ? 31 HOH A O 1
1754
- HETATM 495 O O . HOH C 2 . ? 9.350 17.493 -3.476 1.00 10.00 ? 35 HOH A O 1
1755
- HETATM 496 O O . HOH C 2 . ? 15.461 29.817 20.839 1.00 10.00 ? 36 HOH A O 1
1756
- HETATM 497 O O . HOH C 2 . ? 23.133 21.528 12.297 1.00 10.00 ? 37 HOH A O 1
1757
- HETATM 498 O O . HOH C 2 . ? 5.356 26.983 4.394 1.00 10.00 ? 39 HOH A O 1
1758
- HETATM 499 O O . HOH C 2 . ? 12.537 22.910 -11.366 1.00 10.00 ? 41 HOH A O 1
1759
- HETATM 500 O O . HOH C 2 . ? 21.349 27.457 -12.421 1.00 10.00 ? 42 HOH A O 1
1760
- HETATM 501 O O . HOH C 2 . ? 16.751 24.631 -2.786 1.00 10.00 ? 44 HOH A O 1
1761
- HETATM 502 O O . HOH C 2 . ? 22.924 12.878 19.986 1.00 10.00 ? 45 HOH A O 1
1762
- HETATM 503 O O . HOH C 2 . ? 5.519 31.010 -1.055 1.00 10.00 ? 47 HOH A O 1
1763
- HETATM 504 O O . HOH C 2 . ? 18.666 17.573 9.713 1.00 10.00 ? 48 HOH A O 1
1764
- HETATM 505 O O . HOH C 2 . ? 17.531 31.887 19.465 1.00 10.00 ? 49 HOH A O 1
1765
- HETATM 506 O O . HOH C 2 . ? 14.023 31.333 19.302 1.00 10.00 ? 50 HOH A O 1
1766
- HETATM 507 O O . HOH C 2 . ? 20.346 16.548 12.030 1.00 10.00 ? 51 HOH A O 1
1767
- HETATM 508 O O . HOH C 2 . ? 23.684 22.830 -14.608 1.00 10.00 ? 52 HOH A O 1
1768
- HETATM 509 O O . HOH C 2 . ? 26.799 31.270 10.338 1.00 10.00 ? 54 HOH A O 1
1769
- HETATM 510 O O . HOH C 2 . ? 24.596 30.934 12.284 1.00 10.00 ? 56 HOH A O 1
1770
- HETATM 511 O O . HOH C 2 . ? 3.205 20.033 9.329 1.00 10.00 ? 57 HOH A O 1
1771
- HETATM 512 O O . HOH C 2 . ? 14.559 15.112 4.212 1.00 10.00 ? 59 HOH A O 1
1772
- HETATM 513 O O . HOH C 2 . ? 22.513 25.492 14.713 1.00 10.00 ? 60 HOH A O 1
1773
- HETATM 514 O O . HOH C 2 . ? 7.295 17.993 3.847 1.00 10.00 ? 61 HOH A O 1
1774
- HETATM 515 O O . HOH C 2 . ? 22.466 37.984 21.828 1.00 10.00 ? 62 HOH A O 1
1775
- HETATM 516 O O . HOH C 2 . ? 11.387 25.979 -8.906 1.00 10.00 ? 63 HOH A O 1
1776
- HETATM 517 O O . HOH C 2 . ? 23.436 16.842 13.495 1.00 10.00 ? 64 HOH A O 1
1777
- HETATM 518 O O . HOH C 2 . ? 6.656 29.103 0.423 1.00 10.00 ? 66 HOH A O 1
1778
- HETATM 519 O O . HOH C 2 . ? 19.367 27.025 -3.808 1.00 10.00 ? 70 HOH A O 1
1779
- HETATM 520 O O . HOH C 2 . ? 29.099 28.121 19.784 1.00 10.00 ? 72 HOH A O 1
1780
- HETATM 521 O O . HOH C 2 . ? 23.738 28.910 14.986 1.00 10.00 ? 74 HOH A O 1
1781
- HETATM 522 O O . HOH C 2 . ? 10.927 29.905 -8.255 1.00 10.00 ? 77 HOH A O 1
1782
- HETATM 523 O O . HOH C 2 . ? 6.390 30.439 -3.515 1.00 10.00 ? 78 HOH A O 1
1783
- HETATM 524 O O . HOH C 2 . ? 11.175 14.902 8.535 1.00 10.00 ? 80 HOH A O 1
1784
- HETATM 525 O O . HOH C 2 . ? 17.299 16.670 5.065 1.00 10.00 ? 83 HOH A O 1
1785
- HETATM 526 O O . HOH C 2 . ? 25.984 17.993 13.573 1.00 10.00 ? 84 HOH A O 1
1786
- HETATM 527 O O . HOH C 2 . ? 13.328 30.867 22.030 1.00 10.00 ? 86 HOH A O 1
1787
- HETATM 528 O O . HOH D 2 . ? 5.255 20.340 18.404 1.00 10.00 ? 29 HOH B O 1
1788
- HETATM 529 O O . HOH D 2 . ? 21.639 6.727 -6.028 1.00 10.00 ? 32 HOH B O 1
1789
- HETATM 530 O O . HOH D 2 . ? 20.928 9.372 -5.377 1.00 10.00 ? 33 HOH B O 1
1790
- HETATM 531 O O . HOH D 2 . ? 10.738 29.401 12.304 1.00 10.00 ? 34 HOH B O 1
1791
- HETATM 532 O O . HOH D 2 . ? 10.128 24.757 6.953 1.00 10.00 ? 38 HOH B O 1
1792
- HETATM 533 O O . HOH D 2 . ? 8.148 16.947 21.822 1.00 10.00 ? 40 HOH B O 1
1793
- HETATM 534 O O . HOH D 2 . ? 19.411 30.993 5.195 1.00 10.00 ? 43 HOH B O 1
1794
- HETATM 535 O O . HOH D 2 . ? 25.909 14.990 -2.064 1.00 10.00 ? 46 HOH B O 1
1795
- HETATM 536 O O . HOH D 2 . ? 12.899 7.231 -9.505 1.00 10.00 ? 53 HOH B O 1
1796
- HETATM 537 O O . HOH D 2 . ? 8.047 32.807 9.374 1.00 10.00 ? 55 HOH B O 1
1797
- HETATM 538 O O . HOH D 2 . ? 15.745 34.121 5.573 1.00 10.00 ? 58 HOH B O 1
1798
- HETATM 539 O O . HOH D 2 . ? 18.995 6.542 -1.862 1.00 10.00 ? 65 HOH B O 1
1799
- HETATM 540 O O . HOH D 2 . ? 12.134 14.155 30.988 1.00 10.00 ? 67 HOH B O 1
1800
- HETATM 541 O O . HOH D 2 . ? 13.380 22.192 28.592 1.00 10.00 ? 68 HOH B O 1
1801
- HETATM 542 O O . HOH D 2 . ? 6.545 30.774 13.040 1.00 10.00 ? 69 HOH B O 1
1802
- HETATM 543 O O . HOH D 2 . ? 13.292 3.968 -8.789 1.00 10.00 ? 71 HOH B O 1
1803
- HETATM 544 O O . HOH D 2 . ? 13.357 24.812 27.830 1.00 10.00 ? 73 HOH B O 1
1804
- HETATM 545 O O . HOH D 2 . ? 22.743 29.574 1.100 1.00 10.00 ? 75 HOH B O 1
1805
- HETATM 546 O O . HOH D 2 . ? 10.319 33.827 10.800 1.00 10.00 ? 76 HOH B O 1
1806
- HETATM 547 O O . HOH D 2 . ? 21.355 19.429 3.873 1.00 10.00 ? 79 HOH B O 1
1807
- HETATM 548 O O . HOH D 2 . ? 8.709 26.869 16.099 1.00 10.00 ? 81 HOH B O 1
1808
- HETATM 549 O O . HOH D 2 . ? 24.170 30.380 3.177 1.00 10.00 ? 82 HOH B O 1
1809
- HETATM 550 O O . HOH D 2 . ? 10.790 8.784 -11.529 1.00 10.00 ? 85 HOH B O 1
1810
- HETATM 551 O O . HOH D 2 . ? 15.006 25.668 0.052 1.00 10.00 ? 87 HOH B O 1
1811
- HETATM 552 O O . HOH D 2 . ? 15.076 4.648 -6.862 1.00 10.00 ? 88 HOH B O 1
1812
- #
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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- loop_
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- _database_2.database_id
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- _database_2.database_code
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- _database_2.pdbx_database_accession
13
- _database_2.pdbx_DOI
14
- PDB 142D pdb_0000142d 10.2210/pdb142d/pdb
15
- WWPDB D_1000170098 ? ?
16
- #
17
- loop_
18
- _pdbx_audit_revision_history.ordinal
19
- _pdbx_audit_revision_history.data_content_type
20
- _pdbx_audit_revision_history.major_revision
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- _pdbx_audit_revision_history.minor_revision
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- _pdbx_audit_revision_history.revision_date
23
- 1 'Structure model' 1 0 1994-04-30
24
- 2 'Structure model' 1 1 2008-03-24
25
- 3 'Structure model' 1 2 2011-07-13
26
- 4 'Structure model' 1 3 2022-02-16
27
- 5 'Structure model' 1 4 2024-05-22
28
- #
29
- _pdbx_audit_revision_details.ordinal 1
30
- _pdbx_audit_revision_details.revision_ordinal 1
31
- _pdbx_audit_revision_details.data_content_type 'Structure model'
32
- _pdbx_audit_revision_details.provider repository
33
- _pdbx_audit_revision_details.type 'Initial release'
34
- _pdbx_audit_revision_details.description ?
35
- _pdbx_audit_revision_details.details ?
36
- #
37
- loop_
38
- _pdbx_audit_revision_group.ordinal
39
- _pdbx_audit_revision_group.revision_ordinal
40
- _pdbx_audit_revision_group.data_content_type
41
- _pdbx_audit_revision_group.group
42
- 1 2 'Structure model' 'Version format compliance'
43
- 2 3 'Structure model' 'Version format compliance'
44
- 3 4 'Structure model' 'Database references'
45
- 4 4 'Structure model' 'Derived calculations'
46
- 5 4 'Structure model' Other
47
- 6 5 'Structure model' 'Data collection'
48
- #
49
- loop_
50
- _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' database_2
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- 2 4 'Structure model' pdbx_database_status
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- 3 4 'Structure model' pdbx_struct_assembly
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- 4 4 'Structure model' pdbx_struct_oper_list
58
- 5 5 'Structure model' chem_comp_atom
59
- 6 5 'Structure model' chem_comp_bond
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- #
61
- loop_
62
- _pdbx_audit_revision_item.ordinal
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- 1 4 'Structure model' '_database_2.pdbx_DOI'
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- 2 4 'Structure model' '_database_2.pdbx_database_accession'
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- 3 4 'Structure model' '_pdbx_database_status.process_site'
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- _pdbx_database_status.entry_id 142D
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- _pdbx_database_status.deposit_site ?
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- _pdbx_database_status.process_site BNL
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- _pdbx_database_status.SG_entry .
76
- _pdbx_database_status.status_code_sf ?
77
- _pdbx_database_status.status_code_mr ?
78
- _pdbx_database_status.pdb_format_compatible Y
79
- _pdbx_database_status.status_code_cs ?
80
- _pdbx_database_status.status_code_nmr_data ?
81
- _pdbx_database_status.methods_development_category ?
82
- #
83
- loop_
84
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85
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86
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- PDB 140D '1 STRUCTURE (A DNA USED AS STARTING STRUCTURE)' unspecified
89
- PDB 141D '1 STRUCTURE (B DNA USED AS STARTING STRUCTURE)' ensemble
90
- #
91
- loop_
92
- _audit_author.name
93
- _audit_author.pdbx_ordinal
94
- 'Mujeeb, A.' 1
95
- 'James, T.L.' 2
96
- #
97
- _citation.id primary
98
- _citation.title
99
- ;Solution structure of a conserved DNA sequence from the HIV-1 genome: restrained molecular dynamics simulation with distance and torsion angle restraints derived from two-dimensional NMR spectra.
100
- ;
101
- _citation.journal_abbrev Biochemistry
102
- _citation.journal_volume 32
103
- _citation.page_first 13419
104
- _citation.page_last 13431
105
- _citation.year 1993
106
- _citation.journal_id_ASTM BICHAW
107
- _citation.country US
108
- _citation.journal_id_ISSN 0006-2960
109
- _citation.journal_id_CSD 0033
110
- _citation.book_publisher ?
111
- _citation.pdbx_database_id_PubMed 8257678
112
- _citation.pdbx_database_id_DOI 10.1021/bi00212a007
113
- #
114
- loop_
115
- _citation_author.citation_id
116
- _citation_author.name
117
- _citation_author.ordinal
118
- _citation_author.identifier_ORCID
119
- primary 'Mujeeb, A.' 1 ?
120
- primary 'Kerwin, S.M.' 2 ?
121
- primary 'Kenyon, G.L.' 3 ?
122
- primary 'James, T.L.' 4 ?
123
- #
124
- loop_
125
- _entity.id
126
- _entity.type
127
- _entity.src_method
128
- _entity.pdbx_description
129
- _entity.formula_weight
130
- _entity.pdbx_number_of_molecules
131
- _entity.pdbx_ec
132
- _entity.pdbx_mutation
133
- _entity.pdbx_fragment
134
- _entity.details
135
- 1 polymer syn
136
- ;DNA (5'-D(*AP*GP*CP*TP*TP*GP*CP*CP*TP*TP*GP*AP*G)-3')
137
- ;
138
- 3982.596 1 ? ? ? ?
139
- 2 polymer syn
140
- ;DNA (5'-D(*CP*TP*CP*AP*AP*GP*GP*CP*AP*AP*GP*CP*T)-3')
141
- ;
142
- 3960.600 1 ? ? ? ?
143
- #
144
- loop_
145
- _entity_poly.entity_id
146
- _entity_poly.type
147
- _entity_poly.nstd_linkage
148
- _entity_poly.nstd_monomer
149
- _entity_poly.pdbx_seq_one_letter_code
150
- _entity_poly.pdbx_seq_one_letter_code_can
151
- _entity_poly.pdbx_strand_id
152
- _entity_poly.pdbx_target_identifier
153
- 1 polydeoxyribonucleotide no no '(DA)(DG)(DC)(DT)(DT)(DG)(DC)(DC)(DT)(DT)(DG)(DA)(DG)' AGCTTGCCTTGAG A ?
154
- 2 polydeoxyribonucleotide no no '(DC)(DT)(DC)(DA)(DA)(DG)(DG)(DC)(DA)(DA)(DG)(DC)(DT)' CTCAAGGCAAGCT B ?
155
- #
156
- loop_
157
- _entity_poly_seq.entity_id
158
- _entity_poly_seq.num
159
- _entity_poly_seq.mon_id
160
- _entity_poly_seq.hetero
161
- 1 1 DA n
162
- 1 2 DG n
163
- 1 3 DC n
164
- 1 4 DT n
165
- 1 5 DT n
166
- 1 6 DG n
167
- 1 7 DC n
168
- 1 8 DC n
169
- 1 9 DT n
170
- 1 10 DT n
171
- 1 11 DG n
172
- 1 12 DA n
173
- 1 13 DG n
174
- 2 1 DC n
175
- 2 2 DT n
176
- 2 3 DC n
177
- 2 4 DA n
178
- 2 5 DA n
179
- 2 6 DG n
180
- 2 7 DG n
181
- 2 8 DC n
182
- 2 9 DA n
183
- 2 10 DA n
184
- 2 11 DG n
185
- 2 12 DC n
186
- 2 13 DT n
187
- #
188
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189
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190
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191
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- _pdbx_entity_src_syn.pdbx_beg_seq_num
193
- _pdbx_entity_src_syn.pdbx_end_seq_num
194
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195
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196
- _pdbx_entity_src_syn.ncbi_taxonomy_id
197
- _pdbx_entity_src_syn.details
198
- 1 1 sample ? ? ? ? ? 'CHEMICALLY SYNTHESIZED'
199
- 2 1 sample ? ? ? ? ? 'CHEMICALLY SYNTHESIZED'
200
- #
201
- loop_
202
- _chem_comp.id
203
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204
- _chem_comp.mon_nstd_flag
205
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206
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207
- _chem_comp.formula
208
- _chem_comp.formula_weight
209
- DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222
210
- DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
211
- DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
212
- DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208
213
- #
214
- loop_
215
- _pdbx_poly_seq_scheme.asym_id
216
- _pdbx_poly_seq_scheme.entity_id
217
- _pdbx_poly_seq_scheme.seq_id
218
- _pdbx_poly_seq_scheme.mon_id
219
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220
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221
- _pdbx_poly_seq_scheme.auth_seq_num
222
- _pdbx_poly_seq_scheme.pdb_mon_id
223
- _pdbx_poly_seq_scheme.auth_mon_id
224
- _pdbx_poly_seq_scheme.pdb_strand_id
225
- _pdbx_poly_seq_scheme.pdb_ins_code
226
- _pdbx_poly_seq_scheme.hetero
227
- A 1 1 DA 1 1 1 DA A A . n
228
- A 1 2 DG 2 2 2 DG G A . n
229
- A 1 3 DC 3 3 3 DC C A . n
230
- A 1 4 DT 4 4 4 DT T A . n
231
- A 1 5 DT 5 5 5 DT T A . n
232
- A 1 6 DG 6 6 6 DG G A . n
233
- A 1 7 DC 7 7 7 DC C A . n
234
- A 1 8 DC 8 8 8 DC C A . n
235
- A 1 9 DT 9 9 9 DT T A . n
236
- A 1 10 DT 10 10 10 DT T A . n
237
- A 1 11 DG 11 11 11 DG G A . n
238
- A 1 12 DA 12 12 12 DA A A . n
239
- A 1 13 DG 13 13 13 DG G A . n
240
- B 2 1 DC 1 14 14 DC C B . n
241
- B 2 2 DT 2 15 15 DT T B . n
242
- B 2 3 DC 3 16 16 DC C B . n
243
- B 2 4 DA 4 17 17 DA A B . n
244
- B 2 5 DA 5 18 18 DA A B . n
245
- B 2 6 DG 6 19 19 DG G B . n
246
- B 2 7 DG 7 20 20 DG G B . n
247
- B 2 8 DC 8 21 21 DC C B . n
248
- B 2 9 DA 9 22 22 DA A B . n
249
- B 2 10 DA 10 23 23 DA A B . n
250
- B 2 11 DG 11 24 24 DG G B . n
251
- B 2 12 DC 12 25 25 DC C B . n
252
- B 2 13 DT 13 26 26 DT T B . n
253
- #
254
- _software.name AMBER
255
- _software.classification refinement
256
- _software.version .
257
- _software.citation_id ?
258
- _software.pdbx_ordinal 1
259
- #
260
- _cell.entry_id 142D
261
- _cell.length_a 1.000
262
- _cell.length_b 1.000
263
- _cell.length_c 1.000
264
- _cell.angle_alpha 90.00
265
- _cell.angle_beta 90.00
266
- _cell.angle_gamma 90.00
267
- _cell.Z_PDB 1
268
- _cell.pdbx_unique_axis ?
269
- #
270
- _symmetry.entry_id 142D
271
- _symmetry.space_group_name_H-M 'P 1'
272
- _symmetry.pdbx_full_space_group_name_H-M ?
273
- _symmetry.cell_setting ?
274
- _symmetry.Int_Tables_number 1
275
- #
276
- _exptl.entry_id 142D
277
- _exptl.method 'SOLUTION NMR'
278
- _exptl.crystals_number ?
279
- #
280
- _database_PDB_matrix.entry_id 142D
281
- _database_PDB_matrix.origx[1][1] 1.000000
282
- _database_PDB_matrix.origx[1][2] 0.000000
283
- _database_PDB_matrix.origx[1][3] 0.000000
284
- _database_PDB_matrix.origx[2][1] 0.000000
285
- _database_PDB_matrix.origx[2][2] 1.000000
286
- _database_PDB_matrix.origx[2][3] 0.000000
287
- _database_PDB_matrix.origx[3][1] 0.000000
288
- _database_PDB_matrix.origx[3][2] 0.000000
289
- _database_PDB_matrix.origx[3][3] 1.000000
290
- _database_PDB_matrix.origx_vector[1] 0.00000
291
- _database_PDB_matrix.origx_vector[2] 0.00000
292
- _database_PDB_matrix.origx_vector[3] 0.00000
293
- #
294
- _struct.entry_id 142D
295
- _struct.title
296
- ;SOLUTION STRUCTURE OF A CONSERVED DNA SEQUENCE FROM THE HIV-1 GENOME: RESTRAINED MOLECULAR DYNAMICS SIMULATION WITH DISTANCE AND TORSION ANGLE RESTRAINTS DERIVED FROM TWO-DIMENSIONAL NMR SPECTRA
297
- ;
298
- _struct.pdbx_model_details ?
299
- _struct.pdbx_CASP_flag ?
300
- _struct.pdbx_model_type_details ?
301
- #
302
- _struct_keywords.entry_id 142D
303
- _struct_keywords.pdbx_keywords DNA
304
- _struct_keywords.text 'DNA, DOUBLE HELIX, CONSERVED SEQUENCE OF HIV-1 GENOME'
305
- #
306
- loop_
307
- _struct_asym.id
308
- _struct_asym.pdbx_blank_PDB_chainid_flag
309
- _struct_asym.pdbx_modified
310
- _struct_asym.entity_id
311
- _struct_asym.details
312
- A N N 1 ?
313
- B N N 2 ?
314
- #
315
- loop_
316
- _struct_ref.id
317
- _struct_ref.entity_id
318
- _struct_ref.db_name
319
- _struct_ref.db_code
320
- _struct_ref.pdbx_db_accession
321
- _struct_ref.pdbx_db_isoform
322
- _struct_ref.pdbx_seq_one_letter_code
323
- _struct_ref.pdbx_align_begin
324
- 1 1 PDB 142D 142D ? ? ?
325
- 2 2 PDB 142D 142D ? ? ?
326
- #
327
- loop_
328
- _struct_ref_seq.align_id
329
- _struct_ref_seq.ref_id
330
- _struct_ref_seq.pdbx_PDB_id_code
331
- _struct_ref_seq.pdbx_strand_id
332
- _struct_ref_seq.seq_align_beg
333
- _struct_ref_seq.pdbx_seq_align_beg_ins_code
334
- _struct_ref_seq.seq_align_end
335
- _struct_ref_seq.pdbx_seq_align_end_ins_code
336
- _struct_ref_seq.pdbx_db_accession
337
- _struct_ref_seq.db_align_beg
338
- _struct_ref_seq.pdbx_db_align_beg_ins_code
339
- _struct_ref_seq.db_align_end
340
- _struct_ref_seq.pdbx_db_align_end_ins_code
341
- _struct_ref_seq.pdbx_auth_seq_align_beg
342
- _struct_ref_seq.pdbx_auth_seq_align_end
343
- 1 1 142D A 1 ? 13 ? 142D 1 ? 13 ? 1 13
344
- 2 2 142D B 1 ? 13 ? 142D 14 ? 26 ? 14 26
345
- #
346
- _pdbx_struct_assembly.id 1
347
- _pdbx_struct_assembly.details author_defined_assembly
348
- _pdbx_struct_assembly.method_details ?
349
- _pdbx_struct_assembly.oligomeric_details dimeric
350
- _pdbx_struct_assembly.oligomeric_count 2
351
- #
352
- _pdbx_struct_assembly_gen.assembly_id 1
353
- _pdbx_struct_assembly_gen.oper_expression 1
354
- _pdbx_struct_assembly_gen.asym_id_list A,B
355
- #
356
- _pdbx_struct_oper_list.id 1
357
- _pdbx_struct_oper_list.type 'identity operation'
358
- _pdbx_struct_oper_list.name 1_555
359
- _pdbx_struct_oper_list.symmetry_operation x,y,z
360
- _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
361
- _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
362
- _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
363
- _pdbx_struct_oper_list.vector[1] 0.0000000000
364
- _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
365
- _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
366
- _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
367
- _pdbx_struct_oper_list.vector[2] 0.0000000000
368
- _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
369
- _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
370
- _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
371
- _pdbx_struct_oper_list.vector[3] 0.0000000000
372
- #
373
- _struct_biol.id 1
374
- _struct_biol.details ?
375
- #
376
- loop_
377
- _struct_conn.id
378
- _struct_conn.conn_type_id
379
- _struct_conn.pdbx_leaving_atom_flag
380
- _struct_conn.pdbx_PDB_id
381
- _struct_conn.ptnr1_label_asym_id
382
- _struct_conn.ptnr1_label_comp_id
383
- _struct_conn.ptnr1_label_seq_id
384
- _struct_conn.ptnr1_label_atom_id
385
- _struct_conn.pdbx_ptnr1_label_alt_id
386
- _struct_conn.pdbx_ptnr1_PDB_ins_code
387
- _struct_conn.pdbx_ptnr1_standard_comp_id
388
- _struct_conn.ptnr1_symmetry
389
- _struct_conn.ptnr2_label_asym_id
390
- _struct_conn.ptnr2_label_comp_id
391
- _struct_conn.ptnr2_label_seq_id
392
- _struct_conn.ptnr2_label_atom_id
393
- _struct_conn.pdbx_ptnr2_label_alt_id
394
- _struct_conn.pdbx_ptnr2_PDB_ins_code
395
- _struct_conn.ptnr1_auth_asym_id
396
- _struct_conn.ptnr1_auth_comp_id
397
- _struct_conn.ptnr1_auth_seq_id
398
- _struct_conn.ptnr2_auth_asym_id
399
- _struct_conn.ptnr2_auth_comp_id
400
- _struct_conn.ptnr2_auth_seq_id
401
- _struct_conn.ptnr2_symmetry
402
- _struct_conn.pdbx_ptnr3_label_atom_id
403
- _struct_conn.pdbx_ptnr3_label_seq_id
404
- _struct_conn.pdbx_ptnr3_label_comp_id
405
- _struct_conn.pdbx_ptnr3_label_asym_id
406
- _struct_conn.pdbx_ptnr3_label_alt_id
407
- _struct_conn.pdbx_ptnr3_PDB_ins_code
408
- _struct_conn.details
409
- _struct_conn.pdbx_dist_value
410
- _struct_conn.pdbx_value_order
411
- _struct_conn.pdbx_role
412
- hydrog1 hydrog ? ? A DA 1 N1 ? ? ? 1_555 B DT 13 N3 ? ? A DA 1 B DT 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
413
- hydrog2 hydrog ? ? A DA 1 N6 ? ? ? 1_555 B DT 13 O4 ? ? A DA 1 B DT 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
414
- hydrog3 hydrog ? ? A DG 2 N1 ? ? ? 1_555 B DC 12 N3 ? ? A DG 2 B DC 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
415
- hydrog4 hydrog ? ? A DG 2 N2 ? ? ? 1_555 B DC 12 O2 ? ? A DG 2 B DC 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
416
- hydrog5 hydrog ? ? A DG 2 O6 ? ? ? 1_555 B DC 12 N4 ? ? A DG 2 B DC 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
417
- hydrog6 hydrog ? ? A DC 3 N3 ? ? ? 1_555 B DG 11 N1 ? ? A DC 3 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
418
- hydrog7 hydrog ? ? A DC 3 N4 ? ? ? 1_555 B DG 11 O6 ? ? A DC 3 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
419
- hydrog8 hydrog ? ? A DC 3 O2 ? ? ? 1_555 B DG 11 N2 ? ? A DC 3 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
420
- hydrog9 hydrog ? ? A DT 4 N3 ? ? ? 1_555 B DA 10 N1 ? ? A DT 4 B DA 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
421
- hydrog10 hydrog ? ? A DT 4 O4 ? ? ? 1_555 B DA 10 N6 ? ? A DT 4 B DA 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
422
- hydrog11 hydrog ? ? A DT 5 N3 ? ? ? 1_555 B DA 9 N1 ? ? A DT 5 B DA 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
423
- hydrog12 hydrog ? ? A DT 5 O4 ? ? ? 1_555 B DA 9 N6 ? ? A DT 5 B DA 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
424
- hydrog13 hydrog ? ? A DG 6 N1 ? ? ? 1_555 B DC 8 N3 ? ? A DG 6 B DC 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
425
- hydrog14 hydrog ? ? A DG 6 N2 ? ? ? 1_555 B DC 8 O2 ? ? A DG 6 B DC 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
426
- hydrog15 hydrog ? ? A DG 6 O6 ? ? ? 1_555 B DC 8 N4 ? ? A DG 6 B DC 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
427
- hydrog16 hydrog ? ? A DC 7 N3 ? ? ? 1_555 B DG 7 N1 ? ? A DC 7 B DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
428
- hydrog17 hydrog ? ? A DC 7 N4 ? ? ? 1_555 B DG 7 O6 ? ? A DC 7 B DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
429
- hydrog18 hydrog ? ? A DC 7 O2 ? ? ? 1_555 B DG 7 N2 ? ? A DC 7 B DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
430
- hydrog19 hydrog ? ? A DC 8 N3 ? ? ? 1_555 B DG 6 N1 ? ? A DC 8 B DG 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
431
- hydrog20 hydrog ? ? A DC 8 N4 ? ? ? 1_555 B DG 6 O6 ? ? A DC 8 B DG 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
432
- hydrog21 hydrog ? ? A DC 8 O2 ? ? ? 1_555 B DG 6 N2 ? ? A DC 8 B DG 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
433
- hydrog22 hydrog ? ? A DT 9 N3 ? ? ? 1_555 B DA 5 N1 ? ? A DT 9 B DA 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
434
- hydrog23 hydrog ? ? A DT 9 O4 ? ? ? 1_555 B DA 5 N6 ? ? A DT 9 B DA 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
435
- hydrog24 hydrog ? ? A DT 10 N3 ? ? ? 1_555 B DA 4 N1 ? ? A DT 10 B DA 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
436
- hydrog25 hydrog ? ? A DT 10 O4 ? ? ? 1_555 B DA 4 N6 ? ? A DT 10 B DA 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
437
- hydrog26 hydrog ? ? A DG 11 N1 ? ? ? 1_555 B DC 3 N3 ? ? A DG 11 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
438
- hydrog27 hydrog ? ? A DG 11 N2 ? ? ? 1_555 B DC 3 O2 ? ? A DG 11 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
439
- hydrog28 hydrog ? ? A DG 11 O6 ? ? ? 1_555 B DC 3 N4 ? ? A DG 11 B DC 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
440
- hydrog29 hydrog ? ? A DA 12 N1 ? ? ? 1_555 B DT 2 N3 ? ? A DA 12 B DT 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
441
- hydrog30 hydrog ? ? A DA 12 N6 ? ? ? 1_555 B DT 2 O4 ? ? A DA 12 B DT 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
442
- hydrog31 hydrog ? ? A DG 13 N1 ? ? ? 1_555 B DC 1 N3 ? ? A DG 13 B DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
443
- hydrog32 hydrog ? ? A DG 13 N2 ? ? ? 1_555 B DC 1 O2 ? ? A DG 13 B DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
444
- hydrog33 hydrog ? ? A DG 13 O6 ? ? ? 1_555 B DC 1 N4 ? ? A DG 13 B DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
445
- #
446
- _struct_conn_type.id hydrog
447
- _struct_conn_type.criteria ?
448
- _struct_conn_type.reference ?
449
- #
450
- loop_
451
- _pdbx_validate_rmsd_angle.id
452
- _pdbx_validate_rmsd_angle.PDB_model_num
453
- _pdbx_validate_rmsd_angle.auth_atom_id_1
454
- _pdbx_validate_rmsd_angle.auth_asym_id_1
455
- _pdbx_validate_rmsd_angle.auth_comp_id_1
456
- _pdbx_validate_rmsd_angle.auth_seq_id_1
457
- _pdbx_validate_rmsd_angle.PDB_ins_code_1
458
- _pdbx_validate_rmsd_angle.label_alt_id_1
459
- _pdbx_validate_rmsd_angle.auth_atom_id_2
460
- _pdbx_validate_rmsd_angle.auth_asym_id_2
461
- _pdbx_validate_rmsd_angle.auth_comp_id_2
462
- _pdbx_validate_rmsd_angle.auth_seq_id_2
463
- _pdbx_validate_rmsd_angle.PDB_ins_code_2
464
- _pdbx_validate_rmsd_angle.label_alt_id_2
465
- _pdbx_validate_rmsd_angle.auth_atom_id_3
466
- _pdbx_validate_rmsd_angle.auth_asym_id_3
467
- _pdbx_validate_rmsd_angle.auth_comp_id_3
468
- _pdbx_validate_rmsd_angle.auth_seq_id_3
469
- _pdbx_validate_rmsd_angle.PDB_ins_code_3
470
- _pdbx_validate_rmsd_angle.label_alt_id_3
471
- _pdbx_validate_rmsd_angle.angle_value
472
- _pdbx_validate_rmsd_angle.angle_target_value
473
- _pdbx_validate_rmsd_angle.angle_deviation
474
- _pdbx_validate_rmsd_angle.angle_standard_deviation
475
- _pdbx_validate_rmsd_angle.linker_flag
476
- 1 1 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 112.82 108.30 4.52 0.30 N
477
- 2 1 "O4'" A DC 3 ? ? "C1'" A DC 3 ? ? N1 A DC 3 ? ? 113.58 108.30 5.28 0.30 N
478
- 3 1 "O4'" A DT 4 ? ? "C4'" A DT 4 ? ? "C3'" A DT 4 ? ? 109.95 106.00 3.95 0.60 N
479
- 4 1 "C5'" A DT 4 ? ? "C4'" A DT 4 ? ? "O4'" A DT 4 ? ? 117.17 109.80 7.37 1.10 N
480
- 5 1 "O4'" A DT 4 ? ? "C1'" A DT 4 ? ? N1 A DT 4 ? ? 110.43 108.30 2.13 0.30 N
481
- 6 1 "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? "C3'" A DT 5 ? ? 110.21 106.00 4.21 0.60 N
482
- 7 1 "O4'" A DG 6 ? ? "C1'" A DG 6 ? ? N9 A DG 6 ? ? 114.16 108.30 5.86 0.30 N
483
- 8 1 "O4'" A DC 8 ? ? "C1'" A DC 8 ? ? N1 A DC 8 ? ? 110.72 108.30 2.42 0.30 N
484
- 9 1 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 111.89 108.30 3.59 0.30 N
485
- 10 1 "O4'" A DT 10 ? ? "C1'" A DT 10 ? ? N1 A DT 10 ? ? 111.12 108.30 2.82 0.30 N
486
- 11 1 "O4'" A DG 11 ? ? "C1'" A DG 11 ? ? N9 A DG 11 ? ? 113.97 108.30 5.67 0.30 N
487
- 12 1 "O4'" A DA 12 ? ? "C4'" A DA 12 ? ? "C3'" A DA 12 ? ? 111.23 106.00 5.23 0.60 N
488
- 13 1 "O4'" A DG 13 ? ? "C1'" A DG 13 ? ? N9 A DG 13 ? ? 113.36 108.30 5.06 0.30 N
489
- 14 1 "O4'" B DT 15 ? ? "C1'" B DT 15 ? ? N1 B DT 15 ? ? 110.22 108.30 1.92 0.30 N
490
- 15 1 "O4'" B DC 16 ? ? "C4'" B DC 16 ? ? "C3'" B DC 16 ? ? 112.64 106.00 6.64 0.60 N
491
- 16 1 "C5'" B DC 16 ? ? "C4'" B DC 16 ? ? "O4'" B DC 16 ? ? 117.74 109.80 7.94 1.10 N
492
- 17 1 "C3'" B DC 16 ? ? "C2'" B DC 16 ? ? "C1'" B DC 16 ? ? 111.59 102.50 9.09 1.20 N
493
- 18 1 "O4'" B DC 16 ? ? "C1'" B DC 16 ? ? N1 B DC 16 ? ? 112.20 108.30 3.90 0.30 N
494
- 19 1 "O4'" B DA 17 ? ? "C1'" B DA 17 ? ? N9 B DA 17 ? ? 112.77 108.30 4.47 0.30 N
495
- 20 1 "O4'" B DA 18 ? ? "C4'" B DA 18 ? ? "C3'" B DA 18 ? ? 109.72 106.00 3.72 0.60 N
496
- 21 1 "O4'" B DA 18 ? ? "C1'" B DA 18 ? ? N9 B DA 18 ? ? 113.88 108.30 5.58 0.30 N
497
- 22 1 "O4'" B DG 19 ? ? "C4'" B DG 19 ? ? "C3'" B DG 19 ? ? 109.72 106.00 3.72 0.60 N
498
- 23 1 "O4'" B DG 19 ? ? "C1'" B DG 19 ? ? N9 B DG 19 ? ? 112.98 108.30 4.68 0.30 N
499
- 24 1 "O4'" B DG 20 ? ? "C4'" B DG 20 ? ? "C3'" B DG 20 ? ? 111.60 106.00 5.60 0.60 N
500
- 25 1 "C5'" B DG 20 ? ? "C4'" B DG 20 ? ? "O4'" B DG 20 ? ? 116.57 109.80 6.77 1.10 N
501
- 26 1 "O4'" B DC 21 ? ? "C4'" B DC 21 ? ? "C3'" B DC 21 ? ? 110.41 106.00 4.41 0.60 N
502
- 27 1 "C5'" B DC 21 ? ? "C4'" B DC 21 ? ? "O4'" B DC 21 ? ? 116.96 109.80 7.16 1.10 N
503
- 28 1 "O4'" B DA 22 ? ? "C1'" B DA 22 ? ? N9 B DA 22 ? ? 112.28 108.30 3.98 0.30 N
504
- 29 1 "O4'" B DG 24 ? ? "C1'" B DG 24 ? ? N9 B DG 24 ? ? 113.08 108.30 4.78 0.30 N
505
- 30 1 "O4'" B DC 25 ? ? "C4'" B DC 25 ? ? "C3'" B DC 25 ? ? 109.77 106.00 3.77 0.60 N
506
- 31 1 "O4'" B DC 25 ? ? "C1'" B DC 25 ? ? N1 B DC 25 ? ? 110.72 108.30 2.42 0.30 N
507
- 32 1 "O4'" B DT 26 ? ? "C1'" B DT 26 ? ? N1 B DT 26 ? ? 111.06 108.30 2.76 0.30 N
508
- #
509
- loop_
510
- _pdbx_validate_planes.id
511
- _pdbx_validate_planes.PDB_model_num
512
- _pdbx_validate_planes.auth_comp_id
513
- _pdbx_validate_planes.auth_asym_id
514
- _pdbx_validate_planes.auth_seq_id
515
- _pdbx_validate_planes.PDB_ins_code
516
- _pdbx_validate_planes.label_alt_id
517
- _pdbx_validate_planes.rmsd
518
- _pdbx_validate_planes.type
519
- 1 1 DC A 3 ? ? 0.108 'SIDE CHAIN'
520
- 2 1 DT A 4 ? ? 0.073 'SIDE CHAIN'
521
- 3 1 DG A 6 ? ? 0.115 'SIDE CHAIN'
522
- 4 1 DC B 16 ? ? 0.104 'SIDE CHAIN'
523
- 5 1 DG B 24 ? ? 0.092 'SIDE CHAIN'
524
- 6 1 DC B 25 ? ? 0.076 'SIDE CHAIN'
525
- #
526
- _pdbx_nmr_ensemble.entry_id 142D
527
- _pdbx_nmr_ensemble.conformers_calculated_total_number ?
528
- _pdbx_nmr_ensemble.conformers_submitted_total_number 1
529
- _pdbx_nmr_ensemble.conformer_selection_criteria ?
530
- _pdbx_nmr_ensemble.average_constraints_per_residue ?
531
- _pdbx_nmr_ensemble.average_constraint_violations_per_residue ?
532
- _pdbx_nmr_ensemble.maximum_distance_constraint_violation ?
533
- _pdbx_nmr_ensemble.average_distance_constraint_violation ?
534
- _pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ?
535
- _pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ?
536
- _pdbx_nmr_ensemble.distance_constraint_violation_method ?
537
- _pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ?
538
- _pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ?
539
- _pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ?
540
- #
541
- _pdbx_nmr_details.entry_id 142D
542
- _pdbx_nmr_details.text
543
- ;SUGAR PUCKER OF DEOXYRIBOSES HAS BEEN DETERMINED BY SIMULATION OF 2QF-COSY SPECTRA. A LIST OF TORSION ANGLE AND NOE DISTANCE RESTRAINTS IS AVAILABLE FROM THE PROTEIN DATA BANK AS ENTRY R140DMR.
544
- ;
545
- #
546
- _pdbx_nmr_refine.entry_id 142D
547
- _pdbx_nmr_refine.method 'MOLECULAR DYNAMICS, ENERGY MINIMIZATION'
548
- _pdbx_nmr_refine.details
549
- ;ALL COORDINATES AROSE FROM ENERGY MINIMIZED AMBER4 FILES THAT WERE REFORMATTED FOR THE HELIX ANALYSIS PROGRAM CURVES. THEREFORE, ALL HYDROGEN ATOMS WERE REMOVED. THE DEPOSITORS HAVE PROVIDED THREE COORDINATE SETS FOR THIS
550
- STRUCTURE. THE FIRST TWO COORDINATE SETS (PROTEIN DATA
551
- BANK ENTRIES 140D AND 141D) CONTAIN THE RESULTS OF THE
552
- NMR/RESTRAINED MOLECULAR DYNAMICS REFINEMENT WHERE A-DNA
553
- AND B-DNA WERE USED AS STARTING MODELS, RESPECTIVELY. THE
554
- AUTHORS DENOTED THESE STRUCTURES AS RMD-A AND RMD-B,
555
- RESPECTIVELY. THE THIRD COORDINATE SET (PROTEIN DATA BANK
556
- ENTRY 142D) REPRESENTS THE FINAL STRUCTURE, DENOTED
557
- RMD-FINAL BY THE AUTHORS. ALL STRUCTURES WERE DERIVED BY
558
- AVERAGING THE LAST 4 PS OF 30 PS RESTRAINED MD (AMBER4) AND
559
- SUBSEQUENT RESTRAINED ENERGY MINIMIZATION. FIVE RMD RUNS
560
- WERE AVERAGED TO EACH INTERIM STRUCTURE RMD-A AND RMD-B,
561
- DEPENDING ON THE STARTING GEOMETRY. ALL TEN STRUCTURES
562
- WERE AVERAGED, RESTRAINED ENERGY MINIMIZED AND A FINAL 20PS
563
- RMD RUN WAS PERFORMED, THE LAST 4PS OF WHICH, AFTER
564
- AVERAGING AND RESTRAINED ENERGY MINIMIZATION LEAD TO THE FINAL STRUCTURE: RMD-FINAL.
565
- ;
566
- _pdbx_nmr_refine.software_ordinal 1
567
- #
568
- loop_
569
- _pdbx_nmr_software.name
570
- _pdbx_nmr_software.version
571
- _pdbx_nmr_software.classification
572
- _pdbx_nmr_software.authors
573
- _pdbx_nmr_software.ordinal
574
- AMBER4 ? 'structure solution' ? 1
575
- AMBER4 ? refinement ? 2
576
- #
577
- loop_
578
- _chem_comp_atom.comp_id
579
- _chem_comp_atom.atom_id
580
- _chem_comp_atom.type_symbol
581
- _chem_comp_atom.pdbx_aromatic_flag
582
- _chem_comp_atom.pdbx_stereo_config
583
- _chem_comp_atom.pdbx_ordinal
584
- DA OP3 O N N 1
585
- DA P P N N 2
586
- DA OP1 O N N 3
587
- DA OP2 O N N 4
588
- DA "O5'" O N N 5
589
- DA "C5'" C N N 6
590
- DA "C4'" C N R 7
591
- DA "O4'" O N N 8
592
- DA "C3'" C N S 9
593
- DA "O3'" O N N 10
594
- DA "C2'" C N N 11
595
- DA "C1'" C N R 12
596
- DA N9 N Y N 13
597
- DA C8 C Y N 14
598
- DA N7 N Y N 15
599
- DA C5 C Y N 16
600
- DA C6 C Y N 17
601
- DA N6 N N N 18
602
- DA N1 N Y N 19
603
- DA C2 C Y N 20
604
- DA N3 N Y N 21
605
- DA C4 C Y N 22
606
- DA HOP3 H N N 23
607
- DA HOP2 H N N 24
608
- DA "H5'" H N N 25
609
- DA "H5''" H N N 26
610
- DA "H4'" H N N 27
611
- DA "H3'" H N N 28
612
- DA "HO3'" H N N 29
613
- DA "H2'" H N N 30
614
- DA "H2''" H N N 31
615
- DA "H1'" H N N 32
616
- DA H8 H N N 33
617
- DA H61 H N N 34
618
- DA H62 H N N 35
619
- DA H2 H N N 36
620
- DC OP3 O N N 37
621
- DC P P N N 38
622
- DC OP1 O N N 39
623
- DC OP2 O N N 40
624
- DC "O5'" O N N 41
625
- DC "C5'" C N N 42
626
- DC "C4'" C N R 43
627
- DC "O4'" O N N 44
628
- DC "C3'" C N S 45
629
- DC "O3'" O N N 46
630
- DC "C2'" C N N 47
631
- DC "C1'" C N R 48
632
- DC N1 N N N 49
633
- DC C2 C N N 50
634
- DC O2 O N N 51
635
- DC N3 N N N 52
636
- DC C4 C N N 53
637
- DC N4 N N N 54
638
- DC C5 C N N 55
639
- DC C6 C N N 56
640
- DC HOP3 H N N 57
641
- DC HOP2 H N N 58
642
- DC "H5'" H N N 59
643
- DC "H5''" H N N 60
644
- DC "H4'" H N N 61
645
- DC "H3'" H N N 62
646
- DC "HO3'" H N N 63
647
- DC "H2'" H N N 64
648
- DC "H2''" H N N 65
649
- DC "H1'" H N N 66
650
- DC H41 H N N 67
651
- DC H42 H N N 68
652
- DC H5 H N N 69
653
- DC H6 H N N 70
654
- DG OP3 O N N 71
655
- DG P P N N 72
656
- DG OP1 O N N 73
657
- DG OP2 O N N 74
658
- DG "O5'" O N N 75
659
- DG "C5'" C N N 76
660
- DG "C4'" C N R 77
661
- DG "O4'" O N N 78
662
- DG "C3'" C N S 79
663
- DG "O3'" O N N 80
664
- DG "C2'" C N N 81
665
- DG "C1'" C N R 82
666
- DG N9 N Y N 83
667
- DG C8 C Y N 84
668
- DG N7 N Y N 85
669
- DG C5 C Y N 86
670
- DG C6 C N N 87
671
- DG O6 O N N 88
672
- DG N1 N N N 89
673
- DG C2 C N N 90
674
- DG N2 N N N 91
675
- DG N3 N N N 92
676
- DG C4 C Y N 93
677
- DG HOP3 H N N 94
678
- DG HOP2 H N N 95
679
- DG "H5'" H N N 96
680
- DG "H5''" H N N 97
681
- DG "H4'" H N N 98
682
- DG "H3'" H N N 99
683
- DG "HO3'" H N N 100
684
- DG "H2'" H N N 101
685
- DG "H2''" H N N 102
686
- DG "H1'" H N N 103
687
- DG H8 H N N 104
688
- DG H1 H N N 105
689
- DG H21 H N N 106
690
- DG H22 H N N 107
691
- DT OP3 O N N 108
692
- DT P P N N 109
693
- DT OP1 O N N 110
694
- DT OP2 O N N 111
695
- DT "O5'" O N N 112
696
- DT "C5'" C N N 113
697
- DT "C4'" C N R 114
698
- DT "O4'" O N N 115
699
- DT "C3'" C N S 116
700
- DT "O3'" O N N 117
701
- DT "C2'" C N N 118
702
- DT "C1'" C N R 119
703
- DT N1 N N N 120
704
- DT C2 C N N 121
705
- DT O2 O N N 122
706
- DT N3 N N N 123
707
- DT C4 C N N 124
708
- DT O4 O N N 125
709
- DT C5 C N N 126
710
- DT C7 C N N 127
711
- DT C6 C N N 128
712
- DT HOP3 H N N 129
713
- DT HOP2 H N N 130
714
- DT "H5'" H N N 131
715
- DT "H5''" H N N 132
716
- DT "H4'" H N N 133
717
- DT "H3'" H N N 134
718
- DT "HO3'" H N N 135
719
- DT "H2'" H N N 136
720
- DT "H2''" H N N 137
721
- DT "H1'" H N N 138
722
- DT H3 H N N 139
723
- DT H71 H N N 140
724
- DT H72 H N N 141
725
- DT H73 H N N 142
726
- DT H6 H N N 143
727
- #
728
- loop_
729
- _chem_comp_bond.comp_id
730
- _chem_comp_bond.atom_id_1
731
- _chem_comp_bond.atom_id_2
732
- _chem_comp_bond.value_order
733
- _chem_comp_bond.pdbx_aromatic_flag
734
- _chem_comp_bond.pdbx_stereo_config
735
- _chem_comp_bond.pdbx_ordinal
736
- DA OP3 P sing N N 1
737
- DA OP3 HOP3 sing N N 2
738
- DA P OP1 doub N N 3
739
- DA P OP2 sing N N 4
740
- DA P "O5'" sing N N 5
741
- DA OP2 HOP2 sing N N 6
742
- DA "O5'" "C5'" sing N N 7
743
- DA "C5'" "C4'" sing N N 8
744
- DA "C5'" "H5'" sing N N 9
745
- DA "C5'" "H5''" sing N N 10
746
- DA "C4'" "O4'" sing N N 11
747
- DA "C4'" "C3'" sing N N 12
748
- DA "C4'" "H4'" sing N N 13
749
- DA "O4'" "C1'" sing N N 14
750
- DA "C3'" "O3'" sing N N 15
751
- DA "C3'" "C2'" sing N N 16
752
- DA "C3'" "H3'" sing N N 17
753
- DA "O3'" "HO3'" sing N N 18
754
- DA "C2'" "C1'" sing N N 19
755
- DA "C2'" "H2'" sing N N 20
756
- DA "C2'" "H2''" sing N N 21
757
- DA "C1'" N9 sing N N 22
758
- DA "C1'" "H1'" sing N N 23
759
- DA N9 C8 sing Y N 24
760
- DA N9 C4 sing Y N 25
761
- DA C8 N7 doub Y N 26
762
- DA C8 H8 sing N N 27
763
- DA N7 C5 sing Y N 28
764
- DA C5 C6 sing Y N 29
765
- DA C5 C4 doub Y N 30
766
- DA C6 N6 sing N N 31
767
- DA C6 N1 doub Y N 32
768
- DA N6 H61 sing N N 33
769
- DA N6 H62 sing N N 34
770
- DA N1 C2 sing Y N 35
771
- DA C2 N3 doub Y N 36
772
- DA C2 H2 sing N N 37
773
- DA N3 C4 sing Y N 38
774
- DC OP3 P sing N N 39
775
- DC OP3 HOP3 sing N N 40
776
- DC P OP1 doub N N 41
777
- DC P OP2 sing N N 42
778
- DC P "O5'" sing N N 43
779
- DC OP2 HOP2 sing N N 44
780
- DC "O5'" "C5'" sing N N 45
781
- DC "C5'" "C4'" sing N N 46
782
- DC "C5'" "H5'" sing N N 47
783
- DC "C5'" "H5''" sing N N 48
784
- DC "C4'" "O4'" sing N N 49
785
- DC "C4'" "C3'" sing N N 50
786
- DC "C4'" "H4'" sing N N 51
787
- DC "O4'" "C1'" sing N N 52
788
- DC "C3'" "O3'" sing N N 53
789
- DC "C3'" "C2'" sing N N 54
790
- DC "C3'" "H3'" sing N N 55
791
- DC "O3'" "HO3'" sing N N 56
792
- DC "C2'" "C1'" sing N N 57
793
- DC "C2'" "H2'" sing N N 58
794
- DC "C2'" "H2''" sing N N 59
795
- DC "C1'" N1 sing N N 60
796
- DC "C1'" "H1'" sing N N 61
797
- DC N1 C2 sing N N 62
798
- DC N1 C6 sing N N 63
799
- DC C2 O2 doub N N 64
800
- DC C2 N3 sing N N 65
801
- DC N3 C4 doub N N 66
802
- DC C4 N4 sing N N 67
803
- DC C4 C5 sing N N 68
804
- DC N4 H41 sing N N 69
805
- DC N4 H42 sing N N 70
806
- DC C5 C6 doub N N 71
807
- DC C5 H5 sing N N 72
808
- DC C6 H6 sing N N 73
809
- DG OP3 P sing N N 74
810
- DG OP3 HOP3 sing N N 75
811
- DG P OP1 doub N N 76
812
- DG P OP2 sing N N 77
813
- DG P "O5'" sing N N 78
814
- DG OP2 HOP2 sing N N 79
815
- DG "O5'" "C5'" sing N N 80
816
- DG "C5'" "C4'" sing N N 81
817
- DG "C5'" "H5'" sing N N 82
818
- DG "C5'" "H5''" sing N N 83
819
- DG "C4'" "O4'" sing N N 84
820
- DG "C4'" "C3'" sing N N 85
821
- DG "C4'" "H4'" sing N N 86
822
- DG "O4'" "C1'" sing N N 87
823
- DG "C3'" "O3'" sing N N 88
824
- DG "C3'" "C2'" sing N N 89
825
- DG "C3'" "H3'" sing N N 90
826
- DG "O3'" "HO3'" sing N N 91
827
- DG "C2'" "C1'" sing N N 92
828
- DG "C2'" "H2'" sing N N 93
829
- DG "C2'" "H2''" sing N N 94
830
- DG "C1'" N9 sing N N 95
831
- DG "C1'" "H1'" sing N N 96
832
- DG N9 C8 sing Y N 97
833
- DG N9 C4 sing Y N 98
834
- DG C8 N7 doub Y N 99
835
- DG C8 H8 sing N N 100
836
- DG N7 C5 sing Y N 101
837
- DG C5 C6 sing N N 102
838
- DG C5 C4 doub Y N 103
839
- DG C6 O6 doub N N 104
840
- DG C6 N1 sing N N 105
841
- DG N1 C2 sing N N 106
842
- DG N1 H1 sing N N 107
843
- DG C2 N2 sing N N 108
844
- DG C2 N3 doub N N 109
845
- DG N2 H21 sing N N 110
846
- DG N2 H22 sing N N 111
847
- DG N3 C4 sing N N 112
848
- DT OP3 P sing N N 113
849
- DT OP3 HOP3 sing N N 114
850
- DT P OP1 doub N N 115
851
- DT P OP2 sing N N 116
852
- DT P "O5'" sing N N 117
853
- DT OP2 HOP2 sing N N 118
854
- DT "O5'" "C5'" sing N N 119
855
- DT "C5'" "C4'" sing N N 120
856
- DT "C5'" "H5'" sing N N 121
857
- DT "C5'" "H5''" sing N N 122
858
- DT "C4'" "O4'" sing N N 123
859
- DT "C4'" "C3'" sing N N 124
860
- DT "C4'" "H4'" sing N N 125
861
- DT "O4'" "C1'" sing N N 126
862
- DT "C3'" "O3'" sing N N 127
863
- DT "C3'" "C2'" sing N N 128
864
- DT "C3'" "H3'" sing N N 129
865
- DT "O3'" "HO3'" sing N N 130
866
- DT "C2'" "C1'" sing N N 131
867
- DT "C2'" "H2'" sing N N 132
868
- DT "C2'" "H2''" sing N N 133
869
- DT "C1'" N1 sing N N 134
870
- DT "C1'" "H1'" sing N N 135
871
- DT N1 C2 sing N N 136
872
- DT N1 C6 sing N N 137
873
- DT C2 O2 doub N N 138
874
- DT C2 N3 sing N N 139
875
- DT N3 C4 sing N N 140
876
- DT N3 H3 sing N N 141
877
- DT C4 O4 doub N N 142
878
- DT C4 C5 sing N N 143
879
- DT C5 C7 sing N N 144
880
- DT C5 C6 doub N N 145
881
- DT C7 H71 sing N N 146
882
- DT C7 H72 sing N N 147
883
- DT C7 H73 sing N N 148
884
- DT C6 H6 sing N N 149
885
- #
886
- loop_
887
- _ndb_struct_conf_na.entry_id
888
- _ndb_struct_conf_na.feature
889
- 142D 'double helix'
890
- 142D 'b-form double helix'
891
- #
892
- loop_
893
- _ndb_struct_na_base_pair.model_number
894
- _ndb_struct_na_base_pair.i_label_asym_id
895
- _ndb_struct_na_base_pair.i_label_comp_id
896
- _ndb_struct_na_base_pair.i_label_seq_id
897
- _ndb_struct_na_base_pair.i_symmetry
898
- _ndb_struct_na_base_pair.j_label_asym_id
899
- _ndb_struct_na_base_pair.j_label_comp_id
900
- _ndb_struct_na_base_pair.j_label_seq_id
901
- _ndb_struct_na_base_pair.j_symmetry
902
- _ndb_struct_na_base_pair.shear
903
- _ndb_struct_na_base_pair.stretch
904
- _ndb_struct_na_base_pair.stagger
905
- _ndb_struct_na_base_pair.buckle
906
- _ndb_struct_na_base_pair.propeller
907
- _ndb_struct_na_base_pair.opening
908
- _ndb_struct_na_base_pair.pair_number
909
- _ndb_struct_na_base_pair.pair_name
910
- _ndb_struct_na_base_pair.i_auth_asym_id
911
- _ndb_struct_na_base_pair.i_auth_seq_id
912
- _ndb_struct_na_base_pair.i_PDB_ins_code
913
- _ndb_struct_na_base_pair.j_auth_asym_id
914
- _ndb_struct_na_base_pair.j_auth_seq_id
915
- _ndb_struct_na_base_pair.j_PDB_ins_code
916
- _ndb_struct_na_base_pair.hbond_type_28
917
- _ndb_struct_na_base_pair.hbond_type_12
918
- 1 A DA 1 1_555 B DT 13 1_555 0.185 -0.130 0.055 0.458 -13.829 -5.733 1 A_DA1:DT26_B A 1 ? B 26 ? 20 1
919
- 1 A DG 2 1_555 B DC 12 1_555 -0.301 -0.179 0.502 9.124 -11.062 0.233 2 A_DG2:DC25_B A 2 ? B 25 ? 19 1
920
- 1 A DC 3 1_555 B DG 11 1_555 0.131 -0.188 0.165 -4.679 -15.550 -2.208 3 A_DC3:DG24_B A 3 ? B 24 ? 19 1
921
- 1 A DT 4 1_555 B DA 10 1_555 -0.009 -0.164 0.046 -3.282 -11.835 1.079 4 A_DT4:DA23_B A 4 ? B 23 ? 20 1
922
- 1 A DT 5 1_555 B DA 9 1_555 -0.058 -0.127 -0.045 8.481 -6.334 -1.908 5 A_DT5:DA22_B A 5 ? B 22 ? 20 1
923
- 1 A DG 6 1_555 B DC 8 1_555 -0.434 -0.216 0.238 8.124 -12.721 0.081 6 A_DG6:DC21_B A 6 ? B 21 ? 19 1
924
- 1 A DC 7 1_555 B DG 7 1_555 0.240 -0.155 0.411 -8.121 1.347 0.193 7 A_DC7:DG20_B A 7 ? B 20 ? 19 1
925
- 1 A DC 8 1_555 B DG 6 1_555 0.359 -0.216 0.214 -0.837 -6.833 -0.846 8 A_DC8:DG19_B A 8 ? B 19 ? 19 1
926
- 1 A DT 9 1_555 B DA 5 1_555 0.047 -0.184 -0.127 -4.495 -16.172 -2.945 9 A_DT9:DA18_B A 9 ? B 18 ? 20 1
927
- 1 A DT 10 1_555 B DA 4 1_555 0.067 -0.148 -0.048 3.973 -10.099 -1.003 10 A_DT10:DA17_B A 10 ? B 17 ? 20 1
928
- 1 A DG 11 1_555 B DC 3 1_555 -0.367 -0.263 -0.345 -4.554 -17.630 -1.313 11 A_DG11:DC16_B A 11 ? B 16 ? 19 1
929
- 1 A DA 12 1_555 B DT 2 1_555 -0.017 -0.119 -0.198 -15.929 -3.859 2.463 12 A_DA12:DT15_B A 12 ? B 15 ? 20 1
930
- 1 A DG 13 1_555 B DC 1 1_555 -0.246 -0.231 0.297 -7.194 -11.442 -3.022 13 A_DG13:DC14_B A 13 ? B 14 ? 19 1
931
- #
932
- loop_
933
- _ndb_struct_na_base_pair_step.model_number
934
- _ndb_struct_na_base_pair_step.i_label_asym_id_1
935
- _ndb_struct_na_base_pair_step.i_label_comp_id_1
936
- _ndb_struct_na_base_pair_step.i_label_seq_id_1
937
- _ndb_struct_na_base_pair_step.i_symmetry_1
938
- _ndb_struct_na_base_pair_step.j_label_asym_id_1
939
- _ndb_struct_na_base_pair_step.j_label_comp_id_1
940
- _ndb_struct_na_base_pair_step.j_label_seq_id_1
941
- _ndb_struct_na_base_pair_step.j_symmetry_1
942
- _ndb_struct_na_base_pair_step.i_label_asym_id_2
943
- _ndb_struct_na_base_pair_step.i_label_comp_id_2
944
- _ndb_struct_na_base_pair_step.i_label_seq_id_2
945
- _ndb_struct_na_base_pair_step.i_symmetry_2
946
- _ndb_struct_na_base_pair_step.j_label_asym_id_2
947
- _ndb_struct_na_base_pair_step.j_label_comp_id_2
948
- _ndb_struct_na_base_pair_step.j_label_seq_id_2
949
- _ndb_struct_na_base_pair_step.j_symmetry_2
950
- _ndb_struct_na_base_pair_step.shift
951
- _ndb_struct_na_base_pair_step.slide
952
- _ndb_struct_na_base_pair_step.rise
953
- _ndb_struct_na_base_pair_step.tilt
954
- _ndb_struct_na_base_pair_step.roll
955
- _ndb_struct_na_base_pair_step.twist
956
- _ndb_struct_na_base_pair_step.x_displacement
957
- _ndb_struct_na_base_pair_step.y_displacement
958
- _ndb_struct_na_base_pair_step.helical_rise
959
- _ndb_struct_na_base_pair_step.inclination
960
- _ndb_struct_na_base_pair_step.tip
961
- _ndb_struct_na_base_pair_step.helical_twist
962
- _ndb_struct_na_base_pair_step.step_number
963
- _ndb_struct_na_base_pair_step.step_name
964
- _ndb_struct_na_base_pair_step.i_auth_asym_id_1
965
- _ndb_struct_na_base_pair_step.i_auth_seq_id_1
966
- _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
967
- _ndb_struct_na_base_pair_step.j_auth_asym_id_1
968
- _ndb_struct_na_base_pair_step.j_auth_seq_id_1
969
- _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
970
- _ndb_struct_na_base_pair_step.i_auth_asym_id_2
971
- _ndb_struct_na_base_pair_step.i_auth_seq_id_2
972
- _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
973
- _ndb_struct_na_base_pair_step.j_auth_asym_id_2
974
- _ndb_struct_na_base_pair_step.j_auth_seq_id_2
975
- _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
976
- 1 A DA 1 1_555 B DT 13 1_555 A DG 2 1_555 B DC 12 1_555 0.578 -0.519 3.002 -2.269 -4.973 31.526 -0.111 -1.428 2.999 -9.068
977
- 4.137 31.985 1 AA_DA1DG2:DC25DT26_BB A 1 ? B 26 ? A 2 ? B 25 ?
978
- 1 A DG 2 1_555 B DC 12 1_555 A DC 3 1_555 B DG 11 1_555 0.063 -0.863 3.471 4.009 3.794 38.964 -1.754 0.406 3.366 5.653
979
- -5.974 39.338 2 AA_DG2DC3:DG24DC25_BB A 2 ? B 25 ? A 3 ? B 24 ?
980
- 1 A DC 3 1_555 B DG 11 1_555 A DT 4 1_555 B DA 10 1_555 0.526 -0.335 3.230 3.317 -1.180 34.868 -0.380 -0.377 3.274 -1.962
981
- -5.518 35.040 3 AA_DC3DT4:DA23DG24_BB A 3 ? B 24 ? A 4 ? B 23 ?
982
- 1 A DT 4 1_555 B DA 10 1_555 A DT 5 1_555 B DA 9 1_555 -0.022 -0.422 3.116 -2.369 -3.072 33.416 -0.248 -0.334 3.136 -5.321
983
- 4.103 33.634 4 AA_DT4DT5:DA22DA23_BB A 4 ? B 23 ? A 5 ? B 22 ?
984
- 1 A DT 5 1_555 B DA 9 1_555 A DG 6 1_555 B DC 8 1_555 0.128 -0.728 3.055 -4.064 6.159 29.708 -2.489 -0.975 2.809 11.785
985
- 7.776 30.590 5 AA_DT5DG6:DC21DA22_BB A 5 ? B 22 ? A 6 ? B 21 ?
986
- 1 A DG 6 1_555 B DC 8 1_555 A DC 7 1_555 B DG 7 1_555 -0.413 -0.727 3.674 -2.156 16.254 37.777 -2.961 0.334 3.135 23.782
987
- 3.154 41.062 6 AA_DG6DC7:DG20DC21_BB A 6 ? B 21 ? A 7 ? B 20 ?
988
- 1 A DC 7 1_555 B DG 7 1_555 A DC 8 1_555 B DG 6 1_555 0.052 -0.400 3.064 0.909 9.173 31.991 -2.111 0.048 2.845 16.227
989
- -1.608 33.259 7 AA_DC7DC8:DG19DG20_BB A 7 ? B 20 ? A 8 ? B 19 ?
990
- 1 A DC 8 1_555 B DG 6 1_555 A DT 9 1_555 B DA 5 1_555 0.404 -0.364 3.133 6.581 8.161 34.926 -1.670 0.229 3.000 13.233
991
- -10.671 36.419 8 AA_DC8DT9:DA18DG19_BB A 8 ? B 19 ? A 9 ? B 18 ?
992
- 1 A DT 9 1_555 B DA 5 1_555 A DT 10 1_555 B DA 4 1_555 0.514 -0.572 3.019 -1.102 4.180 33.080 -1.628 -1.062 2.909 7.302
993
- 1.926 33.353 9 AA_DT9DT10:DA17DA18_BB A 9 ? B 18 ? A 10 ? B 17 ?
994
- 1 A DT 10 1_555 B DA 4 1_555 A DG 11 1_555 B DC 3 1_555 0.334 -0.150 3.261 3.752 17.517 30.290 -2.869 0.007 2.788 30.412
995
- -6.514 35.084 10 AA_DT10DG11:DC16DA17_BB A 10 ? B 17 ? A 11 ? B 16 ?
996
- 1 A DG 11 1_555 B DC 3 1_555 A DA 12 1_555 B DT 2 1_555 -0.305 -1.312 3.317 -3.128 7.732 33.358 -3.401 0.039 2.963 13.215
997
- 5.346 34.356 11 AA_DG11DA12:DT15DC16_BB A 11 ? B 16 ? A 12 ? B 15 ?
998
- 1 A DA 12 1_555 B DT 2 1_555 A DG 13 1_555 B DC 1 1_555 -0.131 -0.589 3.028 -3.641 -2.178 34.776 -0.673 -0.293 3.056 -3.627
999
- 6.063 35.026 12 AA_DA12DG13:DC14DT15_BB A 12 ? B 15 ? A 13 ? B 14 ?
1000
- #
1001
- _atom_sites.entry_id 142D
1002
- _atom_sites.fract_transf_matrix[1][1] 1.000000
1003
- _atom_sites.fract_transf_matrix[1][2] 0.000000
1004
- _atom_sites.fract_transf_matrix[1][3] 0.000000
1005
- _atom_sites.fract_transf_matrix[2][1] 0.000000
1006
- _atom_sites.fract_transf_matrix[2][2] 1.000000
1007
- _atom_sites.fract_transf_matrix[2][3] 0.000000
1008
- _atom_sites.fract_transf_matrix[3][1] 0.000000
1009
- _atom_sites.fract_transf_matrix[3][2] 0.000000
1010
- _atom_sites.fract_transf_matrix[3][3] 1.000000
1011
- _atom_sites.fract_transf_vector[1] 0.00000
1012
- _atom_sites.fract_transf_vector[2] 0.00000
1013
- _atom_sites.fract_transf_vector[3] 0.00000
1014
- #
1015
- loop_
1016
- _atom_type.symbol
1017
- C
1018
- N
1019
- O
1020
- P
1021
- #
1022
- loop_
1023
- _atom_site.group_PDB
1024
- _atom_site.id
1025
- _atom_site.type_symbol
1026
- _atom_site.label_atom_id
1027
- _atom_site.label_alt_id
1028
- _atom_site.label_comp_id
1029
- _atom_site.label_asym_id
1030
- _atom_site.label_entity_id
1031
- _atom_site.label_seq_id
1032
- _atom_site.pdbx_PDB_ins_code
1033
- _atom_site.Cartn_x
1034
- _atom_site.Cartn_y
1035
- _atom_site.Cartn_z
1036
- _atom_site.occupancy
1037
- _atom_site.B_iso_or_equiv
1038
- _atom_site.pdbx_formal_charge
1039
- _atom_site.auth_seq_id
1040
- _atom_site.auth_comp_id
1041
- _atom_site.auth_asym_id
1042
- _atom_site.auth_atom_id
1043
- _atom_site.pdbx_PDB_model_num
1044
- ATOM 1 O "O5'" . DA A 1 1 ? 4.165 19.824 -7.628 1.00 0.00 ? 1 DA A "O5'" 1
1045
- ATOM 2 C "C5'" . DA A 1 1 ? 5.449 20.129 -8.131 1.00 0.00 ? 1 DA A "C5'" 1
1046
- ATOM 3 C "C4'" . DA A 1 1 ? 6.487 19.121 -7.624 1.00 0.00 ? 1 DA A "C4'" 1
1047
- ATOM 4 O "O4'" . DA A 1 1 ? 6.457 19.081 -6.206 1.00 0.00 ? 1 DA A "O4'" 1
1048
- ATOM 5 C "C3'" . DA A 1 1 ? 6.242 17.704 -8.160 1.00 0.00 ? 1 DA A "C3'" 1
1049
- ATOM 6 O "O3'" . DA A 1 1 ? 7.480 17.179 -8.618 1.00 0.00 ? 1 DA A "O3'" 1
1050
- ATOM 7 C "C2'" . DA A 1 1 ? 5.719 16.968 -6.933 1.00 0.00 ? 1 DA A "C2'" 1
1051
- ATOM 8 C "C1'" . DA A 1 1 ? 6.312 17.744 -5.764 1.00 0.00 ? 1 DA A "C1'" 1
1052
- ATOM 9 N N9 . DA A 1 1 ? 5.497 17.704 -4.542 1.00 0.00 ? 1 DA A N9 1
1053
- ATOM 10 C C8 . DA A 1 1 ? 4.211 18.130 -4.413 1.00 0.00 ? 1 DA A C8 1
1054
- ATOM 11 N N7 . DA A 1 1 ? 3.741 18.111 -3.198 1.00 0.00 ? 1 DA A N7 1
1055
- ATOM 12 C C5 . DA A 1 1 ? 4.822 17.638 -2.465 1.00 0.00 ? 1 DA A C5 1
1056
- ATOM 13 C C6 . DA A 1 1 ? 5.008 17.414 -1.094 1.00 0.00 ? 1 DA A C6 1
1057
- ATOM 14 N N6 . DA A 1 1 ? 4.026 17.625 -0.226 1.00 0.00 ? 1 DA A N6 1
1058
- ATOM 15 N N1 . DA A 1 1 ? 6.206 16.992 -0.652 1.00 0.00 ? 1 DA A N1 1
1059
- ATOM 16 C C2 . DA A 1 1 ? 7.177 16.800 -1.542 1.00 0.00 ? 1 DA A C2 1
1060
- ATOM 17 N N3 . DA A 1 1 ? 7.130 16.968 -2.859 1.00 0.00 ? 1 DA A N3 1
1061
- ATOM 18 C C4 . DA A 1 1 ? 5.906 17.395 -3.265 1.00 0.00 ? 1 DA A C4 1
1062
- ATOM 19 P P . DG A 1 2 ? 7.645 15.669 -9.184 1.00 0.00 ? 2 DG A P 1
1063
- ATOM 20 O OP1 . DG A 1 2 ? 8.808 15.643 -10.096 1.00 0.00 ? 2 DG A OP1 1
1064
- ATOM 21 O OP2 . DG A 1 2 ? 6.324 15.197 -9.656 1.00 0.00 ? 2 DG A OP2 1
1065
- ATOM 22 O "O5'" . DG A 1 2 ? 8.033 14.842 -7.851 1.00 0.00 ? 2 DG A "O5'" 1
1066
- ATOM 23 C "C5'" . DG A 1 2 ? 9.240 15.107 -7.169 1.00 0.00 ? 2 DG A "C5'" 1
1067
- ATOM 24 C "C4'" . DG A 1 2 ? 9.396 14.245 -5.914 1.00 0.00 ? 2 DG A "C4'" 1
1068
- ATOM 25 O "O4'" . DG A 1 2 ? 8.467 14.591 -4.892 1.00 0.00 ? 2 DG A "O4'" 1
1069
- ATOM 26 C "C3'" . DG A 1 2 ? 9.272 12.743 -6.196 1.00 0.00 ? 2 DG A "C3'" 1
1070
- ATOM 27 O "O3'" . DG A 1 2 ? 10.471 12.146 -5.720 1.00 0.00 ? 2 DG A "O3'" 1
1071
- ATOM 28 C "C2'" . DG A 1 2 ? 8.026 12.332 -5.410 1.00 0.00 ? 2 DG A "C2'" 1
1072
- ATOM 29 C "C1'" . DG A 1 2 ? 7.861 13.423 -4.355 1.00 0.00 ? 2 DG A "C1'" 1
1073
- ATOM 30 N N9 . DG A 1 2 ? 6.487 13.668 -3.849 1.00 0.00 ? 2 DG A N9 1
1074
- ATOM 31 C C8 . DG A 1 2 ? 5.330 13.949 -4.526 1.00 0.00 ? 2 DG A C8 1
1075
- ATOM 32 N N7 . DG A 1 2 ? 4.305 14.215 -3.763 1.00 0.00 ? 2 DG A N7 1
1076
- ATOM 33 C C5 . DG A 1 2 ? 4.806 14.079 -2.471 1.00 0.00 ? 2 DG A C5 1
1077
- ATOM 34 C C6 . DG A 1 2 ? 4.175 14.223 -1.194 1.00 0.00 ? 2 DG A C6 1
1078
- ATOM 35 O O6 . DG A 1 2 ? 3.034 14.603 -0.942 1.00 0.00 ? 2 DG A O6 1
1079
- ATOM 36 N N1 . DG A 1 2 ? 5.018 13.898 -0.141 1.00 0.00 ? 2 DG A N1 1
1080
- ATOM 37 C C2 . DG A 1 2 ? 6.335 13.540 -0.294 1.00 0.00 ? 2 DG A C2 1
1081
- ATOM 38 N N2 . DG A 1 2 ? 7.035 13.171 0.768 1.00 0.00 ? 2 DG A N2 1
1082
- ATOM 39 N N3 . DG A 1 2 ? 6.942 13.449 -1.473 1.00 0.00 ? 2 DG A N3 1
1083
- ATOM 40 C C4 . DG A 1 2 ? 6.131 13.721 -2.522 1.00 0.00 ? 2 DG A C4 1
1084
- ATOM 41 P P . DC A 1 3 ? 10.714 10.550 -5.626 1.00 0.00 ? 3 DC A P 1
1085
- ATOM 42 O OP1 . DC A 1 3 ? 12.172 10.302 -5.647 1.00 0.00 ? 3 DC A OP1 1
1086
- ATOM 43 O OP2 . DC A 1 3 ? 9.834 9.877 -6.607 1.00 0.00 ? 3 DC A OP2 1
1087
- ATOM 44 O "O5'" . DC A 1 3 ? 10.171 10.226 -4.142 1.00 0.00 ? 3 DC A "O5'" 1
1088
- ATOM 45 C "C5'" . DC A 1 3 ? 10.743 10.852 -3.010 1.00 0.00 ? 3 DC A "C5'" 1
1089
- ATOM 46 C "C4'" . DC A 1 3 ? 9.972 10.484 -1.744 1.00 0.00 ? 3 DC A "C4'" 1
1090
- ATOM 47 O "O4'" . DC A 1 3 ? 8.610 10.881 -1.819 1.00 0.00 ? 3 DC A "O4'" 1
1091
- ATOM 48 C "C3'" . DC A 1 3 ? 10.025 8.986 -1.423 1.00 0.00 ? 3 DC A "C3'" 1
1092
- ATOM 49 O "O3'" . DC A 1 3 ? 10.692 8.787 -0.188 1.00 0.00 ? 3 DC A "O3'" 1
1093
- ATOM 50 C "C2'" . DC A 1 3 ? 8.546 8.612 -1.373 1.00 0.00 ? 3 DC A "C2'" 1
1094
- ATOM 51 C "C1'" . DC A 1 3 ? 7.836 9.922 -1.126 1.00 0.00 ? 3 DC A "C1'" 1
1095
- ATOM 52 N N1 . DC A 1 3 ? 6.376 10.017 -1.409 1.00 0.00 ? 3 DC A N1 1
1096
- ATOM 53 C C2 . DC A 1 3 ? 5.464 10.274 -0.384 1.00 0.00 ? 3 DC A C2 1
1097
- ATOM 54 O O2 . DC A 1 3 ? 5.765 10.134 0.797 1.00 0.00 ? 3 DC A O2 1
1098
- ATOM 55 N N3 . DC A 1 3 ? 4.202 10.693 -0.703 1.00 0.00 ? 3 DC A N3 1
1099
- ATOM 56 C C4 . DC A 1 3 ? 3.846 10.865 -1.982 1.00 0.00 ? 3 DC A C4 1
1100
- ATOM 57 N N4 . DC A 1 3 ? 2.649 11.363 -2.259 1.00 0.00 ? 3 DC A N4 1
1101
- ATOM 58 C C5 . DC A 1 3 ? 4.751 10.587 -3.047 1.00 0.00 ? 3 DC A C5 1
1102
- ATOM 59 C C6 . DC A 1 3 ? 5.978 10.158 -2.697 1.00 0.00 ? 3 DC A C6 1
1103
- ATOM 60 P P . DT A 1 4 ? 11.086 7.316 0.356 1.00 0.00 ? 4 DT A P 1
1104
- ATOM 61 O OP1 . DT A 1 4 ? 12.048 7.479 1.468 1.00 0.00 ? 4 DT A OP1 1
1105
- ATOM 62 O OP2 . DT A 1 4 ? 11.436 6.462 -0.800 1.00 0.00 ? 4 DT A OP2 1
1106
- ATOM 63 O "O5'" . DT A 1 4 ? 9.697 6.783 0.973 1.00 0.00 ? 4 DT A "O5'" 1
1107
- ATOM 64 C "C5'" . DT A 1 4 ? 9.155 7.366 2.138 1.00 0.00 ? 4 DT A "C5'" 1
1108
- ATOM 65 C "C4'" . DT A 1 4 ? 7.760 6.821 2.447 1.00 0.00 ? 4 DT A "C4'" 1
1109
- ATOM 66 O "O4'" . DT A 1 4 ? 6.667 7.446 1.807 1.00 0.00 ? 4 DT A "O4'" 1
1110
- ATOM 67 C "C3'" . DT A 1 4 ? 7.580 5.306 2.424 1.00 0.00 ? 4 DT A "C3'" 1
1111
- ATOM 68 O "O3'" . DT A 1 4 ? 7.784 4.757 3.716 1.00 0.00 ? 4 DT A "O3'" 1
1112
- ATOM 69 C "C2'" . DT A 1 4 ? 6.184 5.166 1.862 1.00 0.00 ? 4 DT A "C2'" 1
1113
- ATOM 70 C "C1'" . DT A 1 4 ? 5.569 6.563 1.920 1.00 0.00 ? 4 DT A "C1'" 1
1114
- ATOM 71 N N1 . DT A 1 4 ? 4.602 6.805 0.838 1.00 0.00 ? 4 DT A N1 1
1115
- ATOM 72 C C2 . DT A 1 4 ? 3.357 7.356 1.106 1.00 0.00 ? 4 DT A C2 1
1116
- ATOM 73 O O2 . DT A 1 4 ? 2.916 7.527 2.238 1.00 0.00 ? 4 DT A O2 1
1117
- ATOM 74 N N3 . DT A 1 4 ? 2.604 7.681 -0.001 1.00 0.00 ? 4 DT A N3 1
1118
- ATOM 75 C C4 . DT A 1 4 ? 2.960 7.505 -1.320 1.00 0.00 ? 4 DT A C4 1
1119
- ATOM 76 O O4 . DT A 1 4 ? 2.218 7.918 -2.208 1.00 0.00 ? 4 DT A O4 1
1120
- ATOM 77 C C5 . DT A 1 4 ? 4.238 6.834 -1.507 1.00 0.00 ? 4 DT A C5 1
1121
- ATOM 78 C C7 . DT A 1 4 ? 4.727 6.489 -2.899 1.00 0.00 ? 4 DT A C7 1
1122
- ATOM 79 C C6 . DT A 1 4 ? 4.997 6.521 -0.428 1.00 0.00 ? 4 DT A C6 1
1123
- ATOM 80 P P . DT A 1 5 ? 7.361 3.249 4.118 1.00 0.00 ? 5 DT A P 1
1124
- ATOM 81 O OP1 . DT A 1 5 ? 8.087 2.878 5.351 1.00 0.00 ? 5 DT A OP1 1
1125
- ATOM 82 O OP2 . DT A 1 5 ? 7.461 2.395 2.913 1.00 0.00 ? 5 DT A OP2 1
1126
- ATOM 83 O "O5'" . DT A 1 5 ? 5.797 3.423 4.490 1.00 0.00 ? 5 DT A "O5'" 1
1127
- ATOM 84 C "C5'" . DT A 1 5 ? 5.393 4.305 5.518 1.00 0.00 ? 5 DT A "C5'" 1
1128
- ATOM 85 C "C4'" . DT A 1 5 ? 3.868 4.369 5.626 1.00 0.00 ? 5 DT A "C4'" 1
1129
- ATOM 86 O "O4'" . DT A 1 5 ? 3.227 4.996 4.532 1.00 0.00 ? 5 DT A "O4'" 1
1130
- ATOM 87 C "C3'" . DT A 1 5 ? 3.201 3.028 5.931 1.00 0.00 ? 5 DT A "C3'" 1
1131
- ATOM 88 O "O3'" . DT A 1 5 ? 2.671 2.997 7.248 1.00 0.00 ? 5 DT A "O3'" 1
1132
- ATOM 89 C "C2'" . DT A 1 5 ? 2.166 2.980 4.851 1.00 0.00 ? 5 DT A "C2'" 1
1133
- ATOM 90 C "C1'" . DT A 1 5 ? 1.946 4.411 4.356 1.00 0.00 ? 5 DT A "C1'" 1
1134
- ATOM 91 N N1 . DT A 1 5 ? 1.606 4.451 2.926 1.00 0.00 ? 5 DT A N1 1
1135
- ATOM 92 C C2 . DT A 1 5 ? 0.479 5.102 2.434 1.00 0.00 ? 5 DT A C2 1
1136
- ATOM 93 O O2 . DT A 1 5 ? -0.393 5.586 3.150 1.00 0.00 ? 5 DT A O2 1
1137
- ATOM 94 N N3 . DT A 1 5 ? 0.370 5.152 1.055 1.00 0.00 ? 5 DT A N3 1
1138
- ATOM 95 C C4 . DT A 1 5 ? 1.276 4.628 0.153 1.00 0.00 ? 5 DT A C4 1
1139
- ATOM 96 O O4 . DT A 1 5 ? 1.111 4.814 -1.051 1.00 0.00 ? 5 DT A O4 1
1140
- ATOM 97 C C5 . DT A 1 5 ? 2.395 3.923 0.757 1.00 0.00 ? 5 DT A C5 1
1141
- ATOM 98 C C7 . DT A 1 5 ? 3.431 3.234 -0.112 1.00 0.00 ? 5 DT A C7 1
1142
- ATOM 99 C C6 . DT A 1 5 ? 2.505 3.870 2.106 1.00 0.00 ? 5 DT A C6 1
1143
- ATOM 100 P P . DG A 1 6 ? 1.891 1.706 7.842 1.00 0.00 ? 6 DG A P 1
1144
- ATOM 101 O OP1 . DG A 1 6 ? 1.911 1.794 9.317 1.00 0.00 ? 6 DG A OP1 1
1145
- ATOM 102 O OP2 . DG A 1 6 ? 2.408 0.493 7.170 1.00 0.00 ? 6 DG A OP2 1
1146
- ATOM 103 O "O5'" . DG A 1 6 ? 0.373 1.943 7.347 1.00 0.00 ? 6 DG A "O5'" 1
1147
- ATOM 104 C "C5'" . DG A 1 6 ? -0.417 2.968 7.912 1.00 0.00 ? 6 DG A "C5'" 1
1148
- ATOM 105 C "C4'" . DG A 1 6 ? -1.732 3.141 7.151 1.00 0.00 ? 6 DG A "C4'" 1
1149
- ATOM 106 O "O4'" . DG A 1 6 ? -1.553 3.661 5.841 1.00 0.00 ? 6 DG A "O4'" 1
1150
- ATOM 107 C "C3'" . DG A 1 6 ? -2.618 1.891 7.091 1.00 0.00 ? 6 DG A "C3'" 1
1151
- ATOM 108 O "O3'" . DG A 1 6 ? -3.790 2.038 7.872 1.00 0.00 ? 6 DG A "O3'" 1
1152
- ATOM 109 C "C2'" . DG A 1 6 ? -2.900 1.726 5.609 1.00 0.00 ? 6 DG A "C2'" 1
1153
- ATOM 110 C "C1'" . DG A 1 6 ? -2.486 3.056 4.966 1.00 0.00 ? 6 DG A "C1'" 1
1154
- ATOM 111 N N9 . DG A 1 6 ? -1.973 2.821 3.608 1.00 0.00 ? 6 DG A N9 1
1155
- ATOM 112 C C8 . DG A 1 6 ? -0.897 2.073 3.256 1.00 0.00 ? 6 DG A C8 1
1156
- ATOM 113 N N7 . DG A 1 6 ? -0.663 2.010 1.975 1.00 0.00 ? 6 DG A N7 1
1157
- ATOM 114 C C5 . DG A 1 6 ? -1.718 2.742 1.429 1.00 0.00 ? 6 DG A C5 1
1158
- ATOM 115 C C6 . DG A 1 6 ? -2.067 3.003 0.070 1.00 0.00 ? 6 DG A C6 1
1159
- ATOM 116 O O6 . DG A 1 6 ? -1.385 2.834 -0.937 1.00 0.00 ? 6 DG A O6 1
1160
- ATOM 117 N N1 . DG A 1 6 ? -3.353 3.500 -0.060 1.00 0.00 ? 6 DG A N1 1
1161
- ATOM 118 C C2 . DG A 1 6 ? -4.186 3.784 0.998 1.00 0.00 ? 6 DG A C2 1
1162
- ATOM 119 N N2 . DG A 1 6 ? -5.417 4.210 0.756 1.00 0.00 ? 6 DG A N2 1
1163
- ATOM 120 N N3 . DG A 1 6 ? -3.825 3.656 2.276 1.00 0.00 ? 6 DG A N3 1
1164
- ATOM 121 C C4 . DG A 1 6 ? -2.586 3.129 2.422 1.00 0.00 ? 6 DG A C4 1
1165
- ATOM 122 P P . DC A 1 7 ? -4.751 0.779 8.204 1.00 0.00 ? 7 DC A P 1
1166
- ATOM 123 O OP1 . DC A 1 7 ? -5.671 1.182 9.290 1.00 0.00 ? 7 DC A OP1 1
1167
- ATOM 124 O OP2 . DC A 1 7 ? -3.912 -0.428 8.365 1.00 0.00 ? 7 DC A OP2 1
1168
- ATOM 125 O "O5'" . DC A 1 7 ? -5.614 0.608 6.853 1.00 0.00 ? 7 DC A "O5'" 1
1169
- ATOM 126 C "C5'" . DC A 1 7 ? -6.535 1.605 6.465 1.00 0.00 ? 7 DC A "C5'" 1
1170
- ATOM 127 C "C4'" . DC A 1 7 ? -7.422 1.166 5.297 1.00 0.00 ? 7 DC A "C4'" 1
1171
- ATOM 128 O "O4'" . DC A 1 7 ? -6.833 1.294 4.016 1.00 0.00 ? 7 DC A "O4'" 1
1172
- ATOM 129 C "C3'" . DC A 1 7 ? -7.957 -0.259 5.440 1.00 0.00 ? 7 DC A "C3'" 1
1173
- ATOM 130 O "O3'" . DC A 1 7 ? -9.363 -0.250 5.244 1.00 0.00 ? 7 DC A "O3'" 1
1174
- ATOM 131 C "C2'" . DC A 1 7 ? -7.221 -0.987 4.324 1.00 0.00 ? 7 DC A "C2'" 1
1175
- ATOM 132 C "C1'" . DC A 1 7 ? -7.019 0.098 3.267 1.00 0.00 ? 7 DC A "C1'" 1
1176
- ATOM 133 N N1 . DC A 1 7 ? -5.772 -0.067 2.500 1.00 0.00 ? 7 DC A N1 1
1177
- ATOM 134 C C2 . DC A 1 7 ? -5.787 -0.104 1.109 1.00 0.00 ? 7 DC A C2 1
1178
- ATOM 135 O O2 . DC A 1 7 ? -6.843 -0.122 0.485 1.00 0.00 ? 7 DC A O2 1
1179
- ATOM 136 N N3 . DC A 1 7 ? -4.604 -0.131 0.433 1.00 0.00 ? 7 DC A N3 1
1180
- ATOM 137 C C4 . DC A 1 7 ? -3.451 -0.178 1.110 1.00 0.00 ? 7 DC A C4 1
1181
- ATOM 138 N N4 . DC A 1 7 ? -2.314 -0.116 0.426 1.00 0.00 ? 7 DC A N4 1
1182
- ATOM 139 C C5 . DC A 1 7 ? -3.424 -0.178 2.543 1.00 0.00 ? 7 DC A C5 1
1183
- ATOM 140 C C6 . DC A 1 7 ? -4.605 -0.077 3.188 1.00 0.00 ? 7 DC A C6 1
1184
- ATOM 141 P P . DC A 1 8 ? -10.270 -1.579 5.412 1.00 0.00 ? 8 DC A P 1
1185
- ATOM 142 O OP1 . DC A 1 8 ? -11.669 -1.156 5.646 1.00 0.00 ? 8 DC A OP1 1
1186
- ATOM 143 O OP2 . DC A 1 8 ? -9.604 -2.478 6.380 1.00 0.00 ? 8 DC A OP2 1
1187
- ATOM 144 O "O5'" . DC A 1 8 ? -10.191 -2.270 3.956 1.00 0.00 ? 8 DC A "O5'" 1
1188
- ATOM 145 C "C5'" . DC A 1 8 ? -10.956 -1.795 2.867 1.00 0.00 ? 8 DC A "C5'" 1
1189
- ATOM 146 C "C4'" . DC A 1 8 ? -10.656 -2.602 1.599 1.00 0.00 ? 8 DC A "C4'" 1
1190
- ATOM 147 O "O4'" . DC A 1 8 ? -9.369 -2.318 1.081 1.00 0.00 ? 8 DC A "O4'" 1
1191
- ATOM 148 C "C3'" . DC A 1 8 ? -10.773 -4.120 1.796 1.00 0.00 ? 8 DC A "C3'" 1
1192
- ATOM 149 O "O3'" . DC A 1 8 ? -11.891 -4.588 1.053 1.00 0.00 ? 8 DC A "O3'" 1
1193
- ATOM 150 C "C2'" . DC A 1 8 ? -9.441 -4.648 1.291 1.00 0.00 ? 8 DC A "C2'" 1
1194
- ATOM 151 C "C1'" . DC A 1 8 ? -8.836 -3.496 0.505 1.00 0.00 ? 8 DC A "C1'" 1
1195
- ATOM 152 N N1 . DC A 1 8 ? -7.357 -3.471 0.536 1.00 0.00 ? 8 DC A N1 1
1196
- ATOM 153 C C2 . DC A 1 8 ? -6.639 -3.375 -0.649 1.00 0.00 ? 8 DC A C2 1
1197
- ATOM 154 O O2 . DC A 1 8 ? -7.205 -3.378 -1.736 1.00 0.00 ? 8 DC A O2 1
1198
- ATOM 155 N N3 . DC A 1 8 ? -5.280 -3.304 -0.599 1.00 0.00 ? 8 DC A N3 1
1199
- ATOM 156 C C4 . DC A 1 8 ? -4.650 -3.306 0.581 1.00 0.00 ? 8 DC A C4 1
1200
- ATOM 157 N N4 . DC A 1 8 ? -3.326 -3.226 0.588 1.00 0.00 ? 8 DC A N4 1
1201
- ATOM 158 C C5 . DC A 1 8 ? -5.366 -3.393 1.819 1.00 0.00 ? 8 DC A C5 1
1202
- ATOM 159 C C6 . DC A 1 8 ? -6.714 -3.475 1.735 1.00 0.00 ? 8 DC A C6 1
1203
- ATOM 160 P P . DT A 1 9 ? -12.237 -6.156 0.848 1.00 0.00 ? 9 DT A P 1
1204
- ATOM 161 O OP1 . DT A 1 9 ? -13.664 -6.267 0.474 1.00 0.00 ? 9 DT A OP1 1
1205
- ATOM 162 O OP2 . DT A 1 9 ? -11.722 -6.905 2.015 1.00 0.00 ? 9 DT A OP2 1
1206
- ATOM 163 O "O5'" . DT A 1 9 ? -11.349 -6.560 -0.442 1.00 0.00 ? 9 DT A "O5'" 1
1207
- ATOM 164 C "C5'" . DT A 1 9 ? -11.573 -5.967 -1.708 1.00 0.00 ? 9 DT A "C5'" 1
1208
- ATOM 165 C "C4'" . DT A 1 9 ? -10.565 -6.481 -2.745 1.00 0.00 ? 9 DT A "C4'" 1
1209
- ATOM 166 O "O4'" . DT A 1 9 ? -9.250 -6.004 -2.498 1.00 0.00 ? 9 DT A "O4'" 1
1210
- ATOM 167 C "C3'" . DT A 1 9 ? -10.541 -8.012 -2.828 1.00 0.00 ? 9 DT A "C3'" 1
1211
- ATOM 168 O "O3'" . DT A 1 9 ? -10.845 -8.389 -4.162 1.00 0.00 ? 9 DT A "O3'" 1
1212
- ATOM 169 C "C2'" . DT A 1 9 ? -9.099 -8.334 -2.458 1.00 0.00 ? 9 DT A "C2'" 1
1213
- ATOM 170 C "C1'" . DT A 1 9 ? -8.321 -7.050 -2.715 1.00 0.00 ? 9 DT A "C1'" 1
1214
- ATOM 171 N N1 . DT A 1 9 ? -7.112 -6.897 -1.876 1.00 0.00 ? 9 DT A N1 1
1215
- ATOM 172 C C2 . DT A 1 9 ? -5.876 -6.608 -2.446 1.00 0.00 ? 9 DT A C2 1
1216
- ATOM 173 O O2 . DT A 1 9 ? -5.690 -6.506 -3.654 1.00 0.00 ? 9 DT A O2 1
1217
- ATOM 174 N N3 . DT A 1 9 ? -4.825 -6.463 -1.561 1.00 0.00 ? 9 DT A N3 1
1218
- ATOM 175 C C4 . DT A 1 9 ? -4.898 -6.550 -0.186 1.00 0.00 ? 9 DT A C4 1
1219
- ATOM 176 O O4 . DT A 1 9 ? -3.900 -6.349 0.501 1.00 0.00 ? 9 DT A O4 1
1220
- ATOM 177 C C5 . DT A 1 9 ? -6.212 -6.891 0.324 1.00 0.00 ? 9 DT A C5 1
1221
- ATOM 178 C C7 . DT A 1 9 ? -6.404 -7.110 1.812 1.00 0.00 ? 9 DT A C7 1
1222
- ATOM 179 C C6 . DT A 1 9 ? -7.248 -7.049 -0.534 1.00 0.00 ? 9 DT A C6 1
1223
- ATOM 180 P P . DT A 1 10 ? -10.874 -9.929 -4.644 1.00 0.00 ? 10 DT A P 1
1224
- ATOM 181 O OP1 . DT A 1 10 ? -11.689 -10.011 -5.877 1.00 0.00 ? 10 DT A OP1 1
1225
- ATOM 182 O OP2 . DT A 1 10 ? -11.210 -10.779 -3.481 1.00 0.00 ? 10 DT A OP2 1
1226
- ATOM 183 O "O5'" . DT A 1 10 ? -9.335 -10.203 -5.039 1.00 0.00 ? 10 DT A "O5'" 1
1227
- ATOM 184 C "C5'" . DT A 1 10 ? -8.755 -9.621 -6.189 1.00 0.00 ? 10 DT A "C5'" 1
1228
- ATOM 185 C "C4'" . DT A 1 10 ? -7.288 -10.036 -6.330 1.00 0.00 ? 10 DT A "C4'" 1
1229
- ATOM 186 O "O4'" . DT A 1 10 ? -6.423 -9.405 -5.397 1.00 0.00 ? 10 DT A "O4'" 1
1230
- ATOM 187 C "C3'" . DT A 1 10 ? -7.071 -11.551 -6.249 1.00 0.00 ? 10 DT A "C3'" 1
1231
- ATOM 188 O "O3'" . DT A 1 10 ? -6.790 -12.099 -7.530 1.00 0.00 ? 10 DT A "O3'" 1
1232
- ATOM 189 C "C2'" . DT A 1 10 ? -5.970 -11.699 -5.234 1.00 0.00 ? 10 DT A "C2'" 1
1233
- ATOM 190 C "C1'" . DT A 1 10 ? -5.392 -10.308 -5.031 1.00 0.00 ? 10 DT A "C1'" 1
1234
- ATOM 191 N N1 . DT A 1 10 ? -4.912 -10.040 -3.663 1.00 0.00 ? 10 DT A N1 1
1235
- ATOM 192 C C2 . DT A 1 10 ? -3.605 -9.618 -3.429 1.00 0.00 ? 10 DT A C2 1
1236
- ATOM 193 O O2 . DT A 1 10 ? -2.774 -9.449 -4.316 1.00 0.00 ? 10 DT A O2 1
1237
- ATOM 194 N N3 . DT A 1 10 ? -3.269 -9.407 -2.108 1.00 0.00 ? 10 DT A N3 1
1238
- ATOM 195 C C4 . DT A 1 10 ? -4.085 -9.622 -1.019 1.00 0.00 ? 10 DT A C4 1
1239
- ATOM 196 O O4 . DT A 1 10 ? -3.673 -9.352 0.107 1.00 0.00 ? 10 DT A O4 1
1240
- ATOM 197 C C5 . DT A 1 10 ? -5.415 -10.112 -1.348 1.00 0.00 ? 10 DT A C5 1
1241
- ATOM 198 C C7 . DT A 1 10 ? -6.367 -10.547 -0.249 1.00 0.00 ? 10 DT A C7 1
1242
- ATOM 199 C C6 . DT A 1 10 ? -5.771 -10.278 -2.645 1.00 0.00 ? 10 DT A C6 1
1243
- ATOM 200 P P . DG A 1 11 ? -6.505 -13.676 -7.772 1.00 0.00 ? 11 DG A P 1
1244
- ATOM 201 O OP1 . DG A 1 11 ? -6.720 -13.965 -9.207 1.00 0.00 ? 11 DG A OP1 1
1245
- ATOM 202 O OP2 . DG A 1 11 ? -7.241 -14.448 -6.747 1.00 0.00 ? 11 DG A OP2 1
1246
- ATOM 203 O "O5'" . DG A 1 11 ? -4.925 -13.816 -7.467 1.00 0.00 ? 11 DG A "O5'" 1
1247
- ATOM 204 C "C5'" . DG A 1 11 ? -3.967 -13.139 -8.258 1.00 0.00 ? 11 DG A "C5'" 1
1248
- ATOM 205 C "C4'" . DG A 1 11 ? -2.549 -13.345 -7.715 1.00 0.00 ? 11 DG A "C4'" 1
1249
- ATOM 206 O "O4'" . DG A 1 11 ? -2.348 -12.653 -6.487 1.00 0.00 ? 11 DG A "O4'" 1
1250
- ATOM 207 C "C3'" . DG A 1 11 ? -2.199 -14.823 -7.512 1.00 0.00 ? 11 DG A "C3'" 1
1251
- ATOM 208 O "O3'" . DG A 1 11 ? -0.864 -15.007 -7.960 1.00 0.00 ? 11 DG A "O3'" 1
1252
- ATOM 209 C "C2'" . DG A 1 11 ? -2.287 -14.941 -5.993 1.00 0.00 ? 11 DG A "C2'" 1
1253
- ATOM 210 C "C1'" . DG A 1 11 ? -1.901 -13.563 -5.497 1.00 0.00 ? 11 DG A "C1'" 1
1254
- ATOM 211 N N9 . DG A 1 11 ? -2.293 -13.193 -4.120 1.00 0.00 ? 11 DG A N9 1
1255
- ATOM 212 C C8 . DG A 1 11 ? -3.493 -13.381 -3.501 1.00 0.00 ? 11 DG A C8 1
1256
- ATOM 213 N N7 . DG A 1 11 ? -3.562 -12.950 -2.277 1.00 0.00 ? 11 DG A N7 1
1257
- ATOM 214 C C5 . DG A 1 11 ? -2.274 -12.489 -2.037 1.00 0.00 ? 11 DG A C5 1
1258
- ATOM 215 C C6 . DG A 1 11 ? -1.683 -12.034 -0.827 1.00 0.00 ? 11 DG A C6 1
1259
- ATOM 216 O O6 . DG A 1 11 ? -2.232 -11.882 0.260 1.00 0.00 ? 11 DG A O6 1
1260
- ATOM 217 N N1 . DG A 1 11 ? -0.323 -11.800 -0.942 1.00 0.00 ? 11 DG A N1 1
1261
- ATOM 218 C C2 . DG A 1 11 ? 0.389 -11.969 -2.103 1.00 0.00 ? 11 DG A C2 1
1262
- ATOM 219 N N2 . DG A 1 11 ? 1.707 -11.814 -2.054 1.00 0.00 ? 11 DG A N2 1
1263
- ATOM 220 N N3 . DG A 1 11 ? -0.153 -12.385 -3.252 1.00 0.00 ? 11 DG A N3 1
1264
- ATOM 221 C C4 . DG A 1 11 ? -1.485 -12.639 -3.152 1.00 0.00 ? 11 DG A C4 1
1265
- ATOM 222 P P . DA A 1 12 ? 0.007 -16.332 -7.639 1.00 0.00 ? 12 DA A P 1
1266
- ATOM 223 O OP1 . DA A 1 12 ? 1.038 -16.469 -8.692 1.00 0.00 ? 12 DA A OP1 1
1267
- ATOM 224 O OP2 . DA A 1 12 ? -0.922 -17.454 -7.379 1.00 0.00 ? 12 DA A OP2 1
1268
- ATOM 225 O "O5'" . DA A 1 12 ? 0.749 -15.946 -6.246 1.00 0.00 ? 12 DA A "O5'" 1
1269
- ATOM 226 C "C5'" . DA A 1 12 ? 1.730 -14.922 -6.201 1.00 0.00 ? 12 DA A "C5'" 1
1270
- ATOM 227 C "C4'" . DA A 1 12 ? 2.779 -15.123 -5.107 1.00 0.00 ? 12 DA A "C4'" 1
1271
- ATOM 228 O "O4'" . DA A 1 12 ? 2.352 -14.568 -3.888 1.00 0.00 ? 12 DA A "O4'" 1
1272
- ATOM 229 C "C3'" . DA A 1 12 ? 3.182 -16.595 -4.937 1.00 0.00 ? 12 DA A "C3'" 1
1273
- ATOM 230 O "O3'" . DA A 1 12 ? 4.592 -16.624 -4.778 1.00 0.00 ? 12 DA A "O3'" 1
1274
- ATOM 231 C "C2'" . DA A 1 12 ? 2.461 -16.879 -3.625 1.00 0.00 ? 12 DA A "C2'" 1
1275
- ATOM 232 C "C1'" . DA A 1 12 ? 2.474 -15.545 -2.892 1.00 0.00 ? 12 DA A "C1'" 1
1276
- ATOM 233 N N9 . DA A 1 12 ? 1.370 -15.384 -1.959 1.00 0.00 ? 12 DA A N9 1
1277
- ATOM 234 C C8 . DA A 1 12 ? 0.074 -15.388 -2.321 1.00 0.00 ? 12 DA A C8 1
1278
- ATOM 235 N N7 . DA A 1 12 ? -0.768 -15.155 -1.348 1.00 0.00 ? 12 DA A N7 1
1279
- ATOM 236 C C5 . DA A 1 12 ? 0.082 -14.913 -0.264 1.00 0.00 ? 12 DA A C5 1
1280
- ATOM 237 C C6 . DA A 1 12 ? -0.129 -14.526 1.073 1.00 0.00 ? 12 DA A C6 1
1281
- ATOM 238 N N6 . DA A 1 12 ? -1.338 -14.352 1.604 1.00 0.00 ? 12 DA A N6 1
1282
- ATOM 239 N N1 . DA A 1 12 ? 0.937 -14.258 1.843 1.00 0.00 ? 12 DA A N1 1
1283
- ATOM 240 C C2 . DA A 1 12 ? 2.156 -14.348 1.320 1.00 0.00 ? 12 DA A C2 1
1284
- ATOM 241 N N3 . DA A 1 12 ? 2.494 -14.723 0.097 1.00 0.00 ? 12 DA A N3 1
1285
- ATOM 242 C C4 . DA A 1 12 ? 1.396 -14.994 -0.650 1.00 0.00 ? 12 DA A C4 1
1286
- ATOM 243 P P . DG A 1 13 ? 5.401 -17.957 -4.358 1.00 0.00 ? 13 DG A P 1
1287
- ATOM 244 O OP1 . DG A 1 13 ? 6.711 -17.938 -5.046 1.00 0.00 ? 13 DG A OP1 1
1288
- ATOM 245 O OP2 . DG A 1 13 ? 4.508 -19.125 -4.509 1.00 0.00 ? 13 DG A OP2 1
1289
- ATOM 246 O "O5'" . DG A 1 13 ? 5.658 -17.716 -2.783 1.00 0.00 ? 13 DG A "O5'" 1
1290
- ATOM 247 C "C5'" . DG A 1 13 ? 6.558 -16.717 -2.333 1.00 0.00 ? 13 DG A "C5'" 1
1291
- ATOM 248 C "C4'" . DG A 1 13 ? 6.686 -16.751 -0.806 1.00 0.00 ? 13 DG A "C4'" 1
1292
- ATOM 249 O "O4'" . DG A 1 13 ? 5.429 -16.425 -0.233 1.00 0.00 ? 13 DG A "O4'" 1
1293
- ATOM 250 C "C3'" . DG A 1 13 ? 7.094 -18.141 -0.295 1.00 0.00 ? 13 DG A "C3'" 1
1294
- ATOM 251 O "O3'" . DG A 1 13 ? 8.058 -18.027 0.731 1.00 0.00 ? 13 DG A "O3'" 1
1295
- ATOM 252 C "C2'" . DG A 1 13 ? 5.795 -18.669 0.289 1.00 0.00 ? 13 DG A "C2'" 1
1296
- ATOM 253 C "C1'" . DG A 1 13 ? 5.126 -17.388 0.755 1.00 0.00 ? 13 DG A "C1'" 1
1297
- ATOM 254 N N9 . DG A 1 13 ? 3.680 -17.556 0.983 1.00 0.00 ? 13 DG A N9 1
1298
- ATOM 255 C C8 . DG A 1 13 ? 2.745 -18.045 0.118 1.00 0.00 ? 13 DG A C8 1
1299
- ATOM 256 N N7 . DG A 1 13 ? 1.531 -18.076 0.588 1.00 0.00 ? 13 DG A N7 1
1300
- ATOM 257 C C5 . DG A 1 13 ? 1.676 -17.577 1.880 1.00 0.00 ? 13 DG A C5 1
1301
- ATOM 258 C C6 . DG A 1 13 ? 0.705 -17.359 2.899 1.00 0.00 ? 13 DG A C6 1
1302
- ATOM 259 O O6 . DG A 1 13 ? -0.500 -17.592 2.854 1.00 0.00 ? 13 DG A O6 1
1303
- ATOM 260 N N1 . DG A 1 13 ? 1.247 -16.809 4.050 1.00 0.00 ? 13 DG A N1 1
1304
- ATOM 261 C C2 . DG A 1 13 ? 2.581 -16.521 4.215 1.00 0.00 ? 13 DG A C2 1
1305
- ATOM 262 N N2 . DG A 1 13 ? 2.981 -16.024 5.379 1.00 0.00 ? 13 DG A N2 1
1306
- ATOM 263 N N3 . DG A 1 13 ? 3.505 -16.744 3.277 1.00 0.00 ? 13 DG A N3 1
1307
- ATOM 264 C C4 . DG A 1 13 ? 2.989 -17.263 2.132 1.00 0.00 ? 13 DG A C4 1
1308
- ATOM 265 O "O5'" . DC B 2 1 ? -3.659 -14.236 11.411 1.00 0.00 ? 14 DC B "O5'" 1
1309
- ATOM 266 C "C5'" . DC B 2 1 ? -2.637 -14.652 12.292 1.00 0.00 ? 14 DC B "C5'" 1
1310
- ATOM 267 C "C4'" . DC B 2 1 ? -1.269 -14.570 11.609 1.00 0.00 ? 14 DC B "C4'" 1
1311
- ATOM 268 O "O4'" . DC B 2 1 ? -1.303 -15.328 10.414 1.00 0.00 ? 14 DC B "O4'" 1
1312
- ATOM 269 C "C3'" . DC B 2 1 ? -0.867 -13.132 11.248 1.00 0.00 ? 14 DC B "C3'" 1
1313
- ATOM 270 O "O3'" . DC B 2 1 ? 0.410 -12.851 11.796 1.00 0.00 ? 14 DC B "O3'" 1
1314
- ATOM 271 C "C2'" . DC B 2 1 ? -0.847 -13.152 9.722 1.00 0.00 ? 14 DC B "C2'" 1
1315
- ATOM 272 C "C1'" . DC B 2 1 ? -0.599 -14.626 9.412 1.00 0.00 ? 14 DC B "C1'" 1
1316
- ATOM 273 N N1 . DC B 2 1 ? -1.114 -15.016 8.072 1.00 0.00 ? 14 DC B N1 1
1317
- ATOM 274 C C2 . DC B 2 1 ? -0.218 -15.447 7.101 1.00 0.00 ? 14 DC B C2 1
1318
- ATOM 275 O O2 . DC B 2 1 ? 0.994 -15.436 7.299 1.00 0.00 ? 14 DC B O2 1
1319
- ATOM 276 N N3 . DC B 2 1 ? -0.693 -15.883 5.901 1.00 0.00 ? 14 DC B N3 1
1320
- ATOM 277 C C4 . DC B 2 1 ? -2.007 -15.866 5.648 1.00 0.00 ? 14 DC B C4 1
1321
- ATOM 278 N N4 . DC B 2 1 ? -2.436 -16.330 4.481 1.00 0.00 ? 14 DC B N4 1
1322
- ATOM 279 C C5 . DC B 2 1 ? -2.951 -15.405 6.616 1.00 0.00 ? 14 DC B C5 1
1323
- ATOM 280 C C6 . DC B 2 1 ? -2.461 -15.004 7.810 1.00 0.00 ? 14 DC B C6 1
1324
- ATOM 281 P P . DT B 2 2 ? 1.071 -11.379 11.722 1.00 0.00 ? 15 DT B P 1
1325
- ATOM 282 O OP1 . DT B 2 2 ? 1.977 -11.225 12.881 1.00 0.00 ? 15 DT B OP1 1
1326
- ATOM 283 O OP2 . DT B 2 2 ? -0.006 -10.391 11.495 1.00 0.00 ? 15 DT B OP2 1
1327
- ATOM 284 O "O5'" . DT B 2 2 ? 1.968 -11.451 10.385 1.00 0.00 ? 15 DT B "O5'" 1
1328
- ATOM 285 C "C5'" . DT B 2 2 ? 3.205 -12.134 10.372 1.00 0.00 ? 15 DT B "C5'" 1
1329
- ATOM 286 C "C4'" . DT B 2 2 ? 3.929 -11.923 9.040 1.00 0.00 ? 15 DT B "C4'" 1
1330
- ATOM 287 O "O4'" . DT B 2 2 ? 3.280 -12.626 7.993 1.00 0.00 ? 15 DT B "O4'" 1
1331
- ATOM 288 C "C3'" . DT B 2 2 ? 4.053 -10.446 8.639 1.00 0.00 ? 15 DT B "C3'" 1
1332
- ATOM 289 O "O3'" . DT B 2 2 ? 5.424 -10.099 8.481 1.00 0.00 ? 15 DT B "O3'" 1
1333
- ATOM 290 C "C2'" . DT B 2 2 ? 3.244 -10.344 7.365 1.00 0.00 ? 15 DT B "C2'" 1
1334
- ATOM 291 C "C1'" . DT B 2 2 ? 3.162 -11.787 6.861 1.00 0.00 ? 15 DT B "C1'" 1
1335
- ATOM 292 N N1 . DT B 2 2 ? 1.919 -12.090 6.130 1.00 0.00 ? 15 DT B N1 1
1336
- ATOM 293 C C2 . DT B 2 2 ? 1.967 -12.810 4.943 1.00 0.00 ? 15 DT B C2 1
1337
- ATOM 294 O O2 . DT B 2 2 ? 3.009 -13.148 4.390 1.00 0.00 ? 15 DT B O2 1
1338
- ATOM 295 N N3 . DT B 2 2 ? 0.749 -13.113 4.376 1.00 0.00 ? 15 DT B N3 1
1339
- ATOM 296 C C4 . DT B 2 2 ? -0.491 -12.773 4.866 1.00 0.00 ? 15 DT B C4 1
1340
- ATOM 297 O O4 . DT B 2 2 ? -1.501 -13.127 4.264 1.00 0.00 ? 15 DT B O4 1
1341
- ATOM 298 C C5 . DT B 2 2 ? -0.455 -11.989 6.090 1.00 0.00 ? 15 DT B C5 1
1342
- ATOM 299 C C7 . DT B 2 2 ? -1.753 -11.478 6.682 1.00 0.00 ? 15 DT B C7 1
1343
- ATOM 300 C C6 . DT B 2 2 ? 0.738 -11.688 6.670 1.00 0.00 ? 15 DT B C6 1
1344
- ATOM 301 P P . DC B 2 3 ? 5.924 -8.659 7.926 1.00 0.00 ? 16 DC B P 1
1345
- ATOM 302 O OP1 . DC B 2 3 ? 7.358 -8.514 8.258 1.00 0.00 ? 16 DC B OP1 1
1346
- ATOM 303 O OP2 . DC B 2 3 ? 4.957 -7.630 8.365 1.00 0.00 ? 16 DC B OP2 1
1347
- ATOM 304 O "O5'" . DC B 2 3 ? 5.798 -8.822 6.321 1.00 0.00 ? 16 DC B "O5'" 1
1348
- ATOM 305 C "C5'" . DC B 2 3 ? 6.535 -9.811 5.633 1.00 0.00 ? 16 DC B "C5'" 1
1349
- ATOM 306 C "C4'" . DC B 2 3 ? 6.005 -10.014 4.211 1.00 0.00 ? 16 DC B "C4'" 1
1350
- ATOM 307 O "O4'" . DC B 2 3 ? 4.723 -10.616 4.061 1.00 0.00 ? 16 DC B "O4'" 1
1351
- ATOM 308 C "C3'" . DC B 2 3 ? 6.261 -8.932 3.192 1.00 0.00 ? 16 DC B "C3'" 1
1352
- ATOM 309 O "O3'" . DC B 2 3 ? 7.524 -9.066 2.558 1.00 0.00 ? 16 DC B "O3'" 1
1353
- ATOM 310 C "C2'" . DC B 2 3 ? 5.055 -9.185 2.301 1.00 0.00 ? 16 DC B "C2'" 1
1354
- ATOM 311 C "C1'" . DC B 2 3 ? 4.309 -10.441 2.714 1.00 0.00 ? 16 DC B "C1'" 1
1355
- ATOM 312 N N1 . DC B 2 3 ? 2.826 -10.309 2.592 1.00 0.00 ? 16 DC B N1 1
1356
- ATOM 313 C C2 . DC B 2 3 ? 2.167 -10.880 1.505 1.00 0.00 ? 16 DC B C2 1
1357
- ATOM 314 O O2 . DC B 2 3 ? 2.781 -11.305 0.529 1.00 0.00 ? 16 DC B O2 1
1358
- ATOM 315 N N3 . DC B 2 3 ? 0.806 -10.953 1.513 1.00 0.00 ? 16 DC B N3 1
1359
- ATOM 316 C C4 . DC B 2 3 ? 0.112 -10.438 2.532 1.00 0.00 ? 16 DC B C4 1
1360
- ATOM 317 N N4 . DC B 2 3 ? -1.208 -10.562 2.538 1.00 0.00 ? 16 DC B N4 1
1361
- ATOM 318 C C5 . DC B 2 3 ? 0.749 -9.699 3.573 1.00 0.00 ? 16 DC B C5 1
1362
- ATOM 319 C C6 . DC B 2 3 ? 2.099 -9.658 3.547 1.00 0.00 ? 16 DC B C6 1
1363
- ATOM 320 P P . DA B 2 4 ? 8.195 -7.846 1.749 1.00 0.00 ? 17 DA B P 1
1364
- ATOM 321 O OP1 . DA B 2 4 ? 9.584 -8.225 1.408 1.00 0.00 ? 17 DA B OP1 1
1365
- ATOM 322 O OP2 . DA B 2 4 ? 7.937 -6.590 2.488 1.00 0.00 ? 17 DA B OP2 1
1366
- ATOM 323 O "O5'" . DA B 2 4 ? 7.327 -7.818 0.399 1.00 0.00 ? 17 DA B "O5'" 1
1367
- ATOM 324 C "C5'" . DA B 2 4 ? 7.610 -8.696 -0.672 1.00 0.00 ? 17 DA B "C5'" 1
1368
- ATOM 325 C "C4'" . DA B 2 4 ? 6.699 -8.380 -1.857 1.00 0.00 ? 17 DA B "C4'" 1
1369
- ATOM 326 O "O4'" . DA B 2 4 ? 5.371 -8.812 -1.611 1.00 0.00 ? 17 DA B "O4'" 1
1370
- ATOM 327 C "C3'" . DA B 2 4 ? 6.677 -6.877 -2.169 1.00 0.00 ? 17 DA B "C3'" 1
1371
- ATOM 328 O "O3'" . DA B 2 4 ? 6.935 -6.691 -3.550 1.00 0.00 ? 17 DA B "O3'" 1
1372
- ATOM 329 C "C2'" . DA B 2 4 ? 5.281 -6.467 -1.746 1.00 0.00 ? 17 DA B "C2'" 1
1373
- ATOM 330 C "C1'" . DA B 2 4 ? 4.477 -7.751 -1.886 1.00 0.00 ? 17 DA B "C1'" 1
1374
- ATOM 331 N N9 . DA B 2 4 ? 3.276 -7.781 -1.032 1.00 0.00 ? 17 DA B N9 1
1375
- ATOM 332 C C8 . DA B 2 4 ? 3.178 -7.509 0.305 1.00 0.00 ? 17 DA B C8 1
1376
- ATOM 333 N N7 . DA B 2 4 ? 1.980 -7.663 0.801 1.00 0.00 ? 17 DA B N7 1
1377
- ATOM 334 C C5 . DA B 2 4 ? 1.225 -8.045 -0.305 1.00 0.00 ? 17 DA B C5 1
1378
- ATOM 335 C C6 . DA B 2 4 ? -0.134 -8.360 -0.484 1.00 0.00 ? 17 DA B C6 1
1379
- ATOM 336 N N6 . DA B 2 4 ? -1.019 -8.297 0.507 1.00 0.00 ? 17 DA B N6 1
1380
- ATOM 337 N N1 . DA B 2 4 ? -0.568 -8.705 -1.707 1.00 0.00 ? 17 DA B N1 1
1381
- ATOM 338 C C2 . DA B 2 4 ? 0.300 -8.732 -2.714 1.00 0.00 ? 17 DA B C2 1
1382
- ATOM 339 N N3 . DA B 2 4 ? 1.595 -8.448 -2.683 1.00 0.00 ? 17 DA B N3 1
1383
- ATOM 340 C C4 . DA B 2 4 ? 2.002 -8.112 -1.431 1.00 0.00 ? 17 DA B C4 1
1384
- ATOM 341 P P . DA B 2 5 ? 6.889 -5.247 -4.273 1.00 0.00 ? 18 DA B P 1
1385
- ATOM 342 O OP1 . DA B 2 5 ? 7.943 -5.218 -5.311 1.00 0.00 ? 18 DA B OP1 1
1386
- ATOM 343 O OP2 . DA B 2 5 ? 6.845 -4.192 -3.237 1.00 0.00 ? 18 DA B OP2 1
1387
- ATOM 344 O "O5'" . DA B 2 5 ? 5.456 -5.295 -5.014 1.00 0.00 ? 18 DA B "O5'" 1
1388
- ATOM 345 C "C5'" . DA B 2 5 ? 5.220 -6.224 -6.053 1.00 0.00 ? 18 DA B "C5'" 1
1389
- ATOM 346 C "C4'" . DA B 2 5 ? 3.810 -6.069 -6.625 1.00 0.00 ? 18 DA B "C4'" 1
1390
- ATOM 347 O "O4'" . DA B 2 5 ? 2.816 -6.346 -5.659 1.00 0.00 ? 18 DA B "O4'" 1
1391
- ATOM 348 C "C3'" . DA B 2 5 ? 3.541 -4.704 -7.267 1.00 0.00 ? 18 DA B "C3'" 1
1392
- ATOM 349 O "O3'" . DA B 2 5 ? 2.914 -4.870 -8.524 1.00 0.00 ? 18 DA B "O3'" 1
1393
- ATOM 350 C "C2'" . DA B 2 5 ? 2.632 -4.039 -6.241 1.00 0.00 ? 18 DA B "C2'" 1
1394
- ATOM 351 C "C1'" . DA B 2 5 ? 1.943 -5.244 -5.610 1.00 0.00 ? 18 DA B "C1'" 1
1395
- ATOM 352 N N9 . DA B 2 5 ? 1.263 -5.081 -4.318 1.00 0.00 ? 18 DA B N9 1
1396
- ATOM 353 C C8 . DA B 2 5 ? 1.817 -4.601 -3.181 1.00 0.00 ? 18 DA B C8 1
1397
- ATOM 354 N N7 . DA B 2 5 ? 1.092 -4.712 -2.105 1.00 0.00 ? 18 DA B N7 1
1398
- ATOM 355 C C5 . DA B 2 5 ? -0.082 -5.263 -2.605 1.00 0.00 ? 18 DA B C5 1
1399
- ATOM 356 C C6 . DA B 2 5 ? -1.298 -5.599 -1.998 1.00 0.00 ? 18 DA B C6 1
1400
- ATOM 357 N N6 . DA B 2 5 ? -1.482 -5.428 -0.692 1.00 0.00 ? 18 DA B N6 1
1401
- ATOM 358 N N1 . DA B 2 5 ? -2.294 -6.094 -2.751 1.00 0.00 ? 18 DA B N1 1
1402
- ATOM 359 C C2 . DA B 2 5 ? -2.078 -6.269 -4.053 1.00 0.00 ? 18 DA B C2 1
1403
- ATOM 360 N N3 . DA B 2 5 ? -0.978 -5.998 -4.749 1.00 0.00 ? 18 DA B N3 1
1404
- ATOM 361 C C4 . DA B 2 5 ? -0.002 -5.482 -3.955 1.00 0.00 ? 18 DA B C4 1
1405
- ATOM 362 P P . DG B 2 6 ? 2.617 -3.615 -9.493 1.00 0.00 ? 19 DG B P 1
1406
- ATOM 363 O OP1 . DG B 2 6 ? 2.899 -4.028 -10.885 1.00 0.00 ? 19 DG B OP1 1
1407
- ATOM 364 O OP2 . DG B 2 6 ? 3.278 -2.414 -8.935 1.00 0.00 ? 19 DG B OP2 1
1408
- ATOM 365 O "O5'" . DG B 2 6 ? 1.027 -3.430 -9.325 1.00 0.00 ? 19 DG B "O5'" 1
1409
- ATOM 366 C "C5'" . DG B 2 6 ? 0.126 -4.279 -10.006 1.00 0.00 ? 19 DG B "C5'" 1
1410
- ATOM 367 C "C4'" . DG B 2 6 ? -1.309 -3.771 -9.870 1.00 0.00 ? 19 DG B "C4'" 1
1411
- ATOM 368 O "O4'" . DG B 2 6 ? -1.843 -4.072 -8.588 1.00 0.00 ? 19 DG B "O4'" 1
1412
- ATOM 369 C "C3'" . DG B 2 6 ? -1.441 -2.267 -10.146 1.00 0.00 ? 19 DG B "C3'" 1
1413
- ATOM 370 O "O3'" . DG B 2 6 ? -2.448 -1.987 -11.106 1.00 0.00 ? 19 DG B "O3'" 1
1414
- ATOM 371 C "C2'" . DG B 2 6 ? -1.791 -1.717 -8.772 1.00 0.00 ? 19 DG B "C2'" 1
1415
- ATOM 372 C "C1'" . DG B 2 6 ? -2.337 -2.895 -7.979 1.00 0.00 ? 19 DG B "C1'" 1
1416
- ATOM 373 N N9 . DG B 2 6 ? -1.991 -2.798 -6.551 1.00 0.00 ? 19 DG B N9 1
1417
- ATOM 374 C C8 . DG B 2 6 ? -0.773 -2.522 -6.012 1.00 0.00 ? 19 DG B C8 1
1418
- ATOM 375 N N7 . DG B 2 6 ? -0.742 -2.506 -4.708 1.00 0.00 ? 19 DG B N7 1
1419
- ATOM 376 C C5 . DG B 2 6 ? -2.070 -2.744 -4.355 1.00 0.00 ? 19 DG B C5 1
1420
- ATOM 377 C C6 . DG B 2 6 ? -2.698 -2.801 -3.075 1.00 0.00 ? 19 DG B C6 1
1421
- ATOM 378 O O6 . DG B 2 6 ? -2.178 -2.701 -1.966 1.00 0.00 ? 19 DG B O6 1
1422
- ATOM 379 N N1 . DG B 2 6 ? -4.068 -3.005 -3.157 1.00 0.00 ? 19 DG B N1 1
1423
- ATOM 380 C C2 . DG B 2 6 ? -4.758 -3.145 -4.339 1.00 0.00 ? 19 DG B C2 1
1424
- ATOM 381 N N2 . DG B 2 6 ? -6.075 -3.295 -4.301 1.00 0.00 ? 19 DG B N2 1
1425
- ATOM 382 N N3 . DG B 2 6 ? -4.184 -3.090 -5.541 1.00 0.00 ? 19 DG B N3 1
1426
- ATOM 383 C C4 . DG B 2 6 ? -2.842 -2.894 -5.481 1.00 0.00 ? 19 DG B C4 1
1427
- ATOM 384 P P . DG B 2 7 ? -2.697 -0.484 -11.667 1.00 0.00 ? 20 DG B P 1
1428
- ATOM 385 O OP1 . DG B 2 7 ? -3.346 -0.593 -12.993 1.00 0.00 ? 20 DG B OP1 1
1429
- ATOM 386 O OP2 . DG B 2 7 ? -1.444 0.289 -11.529 1.00 0.00 ? 20 DG B OP2 1
1430
- ATOM 387 O "O5'" . DG B 2 7 ? -3.776 0.128 -10.633 1.00 0.00 ? 20 DG B "O5'" 1
1431
- ATOM 388 C "C5'" . DG B 2 7 ? -5.100 -0.355 -10.630 1.00 0.00 ? 20 DG B "C5'" 1
1432
- ATOM 389 C "C4'" . DG B 2 7 ? -5.965 0.304 -9.556 1.00 0.00 ? 20 DG B "C4'" 1
1433
- ATOM 390 O "O4'" . DG B 2 7 ? -5.784 -0.152 -8.231 1.00 0.00 ? 20 DG B "O4'" 1
1434
- ATOM 391 C "C3'" . DG B 2 7 ? -6.141 1.824 -9.610 1.00 0.00 ? 20 DG B "C3'" 1
1435
- ATOM 392 O "O3'" . DG B 2 7 ? -7.488 2.195 -9.882 1.00 0.00 ? 20 DG B "O3'" 1
1436
- ATOM 393 C "C2'" . DG B 2 7 ? -5.691 2.190 -8.230 1.00 0.00 ? 20 DG B "C2'" 1
1437
- ATOM 394 C "C1'" . DG B 2 7 ? -5.855 0.956 -7.360 1.00 0.00 ? 20 DG B "C1'" 1
1438
- ATOM 395 N N9 . DG B 2 7 ? -4.820 0.833 -6.336 1.00 0.00 ? 20 DG B N9 1
1439
- ATOM 396 C C8 . DG B 2 7 ? -3.492 0.780 -6.571 1.00 0.00 ? 20 DG B C8 1
1440
- ATOM 397 N N7 . DG B 2 7 ? -2.759 0.613 -5.503 1.00 0.00 ? 20 DG B N7 1
1441
- ATOM 398 C C5 . DG B 2 7 ? -3.705 0.532 -4.474 1.00 0.00 ? 20 DG B C5 1
1442
- ATOM 399 C C6 . DG B 2 7 ? -3.554 0.369 -3.059 1.00 0.00 ? 20 DG B C6 1
1443
- ATOM 400 O O6 . DG B 2 7 ? -2.517 0.272 -2.409 1.00 0.00 ? 20 DG B O6 1
1444
- ATOM 401 N N1 . DG B 2 7 ? -4.770 0.309 -2.391 1.00 0.00 ? 20 DG B N1 1
1445
- ATOM 402 C C2 . DG B 2 7 ? -5.993 0.435 -3.005 1.00 0.00 ? 20 DG B C2 1
1446
- ATOM 403 N N2 . DG B 2 7 ? -7.095 0.393 -2.268 1.00 0.00 ? 20 DG B N2 1
1447
- ATOM 404 N N3 . DG B 2 7 ? -6.148 0.631 -4.314 1.00 0.00 ? 20 DG B N3 1
1448
- ATOM 405 C C4 . DG B 2 7 ? -4.972 0.656 -4.987 1.00 0.00 ? 20 DG B C4 1
1449
- ATOM 406 P P . DC B 2 8 ? -7.958 3.741 -10.058 1.00 0.00 ? 21 DC B P 1
1450
- ATOM 407 O OP1 . DC B 2 8 ? -9.316 3.738 -10.645 1.00 0.00 ? 21 DC B OP1 1
1451
- ATOM 408 O OP2 . DC B 2 8 ? -6.871 4.484 -10.732 1.00 0.00 ? 21 DC B OP2 1
1452
- ATOM 409 O "O5'" . DC B 2 8 ? -8.076 4.292 -8.542 1.00 0.00 ? 21 DC B "O5'" 1
1453
- ATOM 410 C "C5'" . DC B 2 8 ? -9.023 3.744 -7.648 1.00 0.00 ? 21 DC B "C5'" 1
1454
- ATOM 411 C "C4'" . DC B 2 8 ? -8.818 4.216 -6.203 1.00 0.00 ? 21 DC B "C4'" 1
1455
- ATOM 412 O "O4'" . DC B 2 8 ? -7.797 3.578 -5.458 1.00 0.00 ? 21 DC B "O4'" 1
1456
- ATOM 413 C "C3'" . DC B 2 8 ? -8.780 5.728 -5.974 1.00 0.00 ? 21 DC B "C3'" 1
1457
- ATOM 414 O "O3'" . DC B 2 8 ? -10.012 6.188 -5.429 1.00 0.00 ? 21 DC B "O3'" 1
1458
- ATOM 415 C "C2'" . DC B 2 8 ? -7.628 5.845 -5.012 1.00 0.00 ? 21 DC B "C2'" 1
1459
- ATOM 416 C "C1'" . DC B 2 8 ? -7.343 4.469 -4.444 1.00 0.00 ? 21 DC B "C1'" 1
1460
- ATOM 417 N N1 . DC B 2 8 ? -5.899 4.258 -4.228 1.00 0.00 ? 21 DC B N1 1
1461
- ATOM 418 C C2 . DC B 2 8 ? -5.374 4.141 -2.949 1.00 0.00 ? 21 DC B C2 1
1462
- ATOM 419 O O2 . DC B 2 8 ? -6.079 4.298 -1.957 1.00 0.00 ? 21 DC B O2 1
1463
- ATOM 420 N N3 . DC B 2 8 ? -4.053 3.852 -2.798 1.00 0.00 ? 21 DC B N3 1
1464
- ATOM 421 C C4 . DC B 2 8 ? -3.271 3.731 -3.878 1.00 0.00 ? 21 DC B C4 1
1465
- ATOM 422 N N4 . DC B 2 8 ? -2.009 3.367 -3.687 1.00 0.00 ? 21 DC B N4 1
1466
- ATOM 423 C C5 . DC B 2 8 ? -3.784 3.887 -5.209 1.00 0.00 ? 21 DC B C5 1
1467
- ATOM 424 C C6 . DC B 2 8 ? -5.109 4.142 -5.320 1.00 0.00 ? 21 DC B C6 1
1468
- ATOM 425 P P . DA B 2 9 ? -10.319 7.757 -5.146 1.00 0.00 ? 22 DA B P 1
1469
- ATOM 426 O OP1 . DA B 2 9 ? -11.770 7.896 -4.893 1.00 0.00 ? 22 DA B OP1 1
1470
- ATOM 427 O OP2 . DA B 2 9 ? -9.685 8.553 -6.219 1.00 0.00 ? 22 DA B OP2 1
1471
- ATOM 428 O "O5'" . DA B 2 9 ? -9.544 8.081 -3.762 1.00 0.00 ? 22 DA B "O5'" 1
1472
- ATOM 429 C "C5'" . DA B 2 9 ? -9.954 7.510 -2.533 1.00 0.00 ? 22 DA B "C5'" 1
1473
- ATOM 430 C "C4'" . DA B 2 9 ? -9.016 7.885 -1.374 1.00 0.00 ? 22 DA B "C4'" 1
1474
- ATOM 431 O "O4'" . DA B 2 9 ? -7.795 7.159 -1.342 1.00 0.00 ? 22 DA B "O4'" 1
1475
- ATOM 432 C "C3'" . DA B 2 9 ? -8.699 9.381 -1.273 1.00 0.00 ? 22 DA B "C3'" 1
1476
- ATOM 433 O "O3'" . DA B 2 9 ? -9.292 9.910 -0.093 1.00 0.00 ? 22 DA B "O3'" 1
1477
- ATOM 434 C "C2'" . DA B 2 9 ? -7.185 9.426 -1.272 1.00 0.00 ? 22 DA B "C2'" 1
1478
- ATOM 435 C "C1'" . DA B 2 9 ? -6.757 8.020 -0.897 1.00 0.00 ? 22 DA B "C1'" 1
1479
- ATOM 436 N N9 . DA B 2 9 ? -5.452 7.656 -1.461 1.00 0.00 ? 22 DA B N9 1
1480
- ATOM 437 C C8 . DA B 2 9 ? -5.131 7.626 -2.779 1.00 0.00 ? 22 DA B C8 1
1481
- ATOM 438 N N7 . DA B 2 9 ? -3.936 7.174 -3.045 1.00 0.00 ? 22 DA B N7 1
1482
- ATOM 439 C C5 . DA B 2 9 ? -3.417 6.925 -1.775 1.00 0.00 ? 22 DA B C5 1
1483
- ATOM 440 C C6 . DA B 2 9 ? -2.181 6.436 -1.321 1.00 0.00 ? 22 DA B C6 1
1484
- ATOM 441 N N6 . DA B 2 9 ? -1.213 6.067 -2.155 1.00 0.00 ? 22 DA B N6 1
1485
- ATOM 442 N N1 . DA B 2 9 ? -1.961 6.346 0.002 1.00 0.00 ? 22 DA B N1 1
1486
- ATOM 443 C C2 . DA B 2 9 ? -2.923 6.717 0.841 1.00 0.00 ? 22 DA B C2 1
1487
- ATOM 444 N N3 . DA B 2 9 ? -4.132 7.179 0.546 1.00 0.00 ? 22 DA B N3 1
1488
- ATOM 445 C C4 . DA B 2 9 ? -4.320 7.252 -0.797 1.00 0.00 ? 22 DA B C4 1
1489
- ATOM 446 P P . DA B 2 10 ? -9.037 11.421 0.437 1.00 0.00 ? 23 DA B P 1
1490
- ATOM 447 O OP1 . DA B 2 10 ? -10.169 11.792 1.315 1.00 0.00 ? 23 DA B OP1 1
1491
- ATOM 448 O OP2 . DA B 2 10 ? -8.697 12.273 -0.724 1.00 0.00 ? 23 DA B OP2 1
1492
- ATOM 449 O "O5'" . DA B 2 10 ? -7.717 11.275 1.361 1.00 0.00 ? 23 DA B "O5'" 1
1493
- ATOM 450 C "C5'" . DA B 2 10 ? -7.722 10.460 2.518 1.00 0.00 ? 23 DA B "C5'" 1
1494
- ATOM 451 C "C4'" . DA B 2 10 ? -6.376 10.497 3.253 1.00 0.00 ? 23 DA B "C4'" 1
1495
- ATOM 452 O "O4'" . DA B 2 10 ? -5.319 9.885 2.546 1.00 0.00 ? 23 DA B "O4'" 1
1496
- ATOM 453 C "C3'" . DA B 2 10 ? -5.924 11.883 3.719 1.00 0.00 ? 23 DA B "C3'" 1
1497
- ATOM 454 O "O3'" . DA B 2 10 ? -5.929 11.910 5.142 1.00 0.00 ? 23 DA B "O3'" 1
1498
- ATOM 455 C "C2'" . DA B 2 10 ? -4.566 12.074 3.076 1.00 0.00 ? 23 DA B "C2'" 1
1499
- ATOM 456 C "C1'" . DA B 2 10 ? -4.146 10.654 2.725 1.00 0.00 ? 23 DA B "C1'" 1
1500
- ATOM 457 N N9 . DA B 2 10 ? -3.327 10.599 1.510 1.00 0.00 ? 23 DA B N9 1
1501
- ATOM 458 C C8 . DA B 2 10 ? -3.659 11.062 0.270 1.00 0.00 ? 23 DA B C8 1
1502
- ATOM 459 N N7 . DA B 2 10 ? -2.813 10.743 -0.672 1.00 0.00 ? 23 DA B N7 1
1503
- ATOM 460 C C5 . DA B 2 10 ? -1.826 10.044 0.021 1.00 0.00 ? 23 DA B C5 1
1504
- ATOM 461 C C6 . DA B 2 10 ? -0.624 9.431 -0.370 1.00 0.00 ? 23 DA B C6 1
1505
- ATOM 462 N N6 . DA B 2 10 ? -0.205 9.409 -1.634 1.00 0.00 ? 23 DA B N6 1
1506
- ATOM 463 N N1 . DA B 2 10 ? 0.127 8.829 0.565 1.00 0.00 ? 23 DA B N1 1
1507
- ATOM 464 C C2 . DA B 2 10 ? -0.290 8.817 1.827 1.00 0.00 ? 23 DA B C2 1
1508
- ATOM 465 N N3 . DA B 2 10 ? -1.391 9.357 2.325 1.00 0.00 ? 23 DA B N3 1
1509
- ATOM 466 C C4 . DA B 2 10 ? -2.123 9.965 1.357 1.00 0.00 ? 23 DA B C4 1
1510
- ATOM 467 P P . DG B 2 11 ? -5.240 13.074 6.027 1.00 0.00 ? 24 DG B P 1
1511
- ATOM 468 O OP1 . DG B 2 11 ? -5.907 13.101 7.347 1.00 0.00 ? 24 DG B OP1 1
1512
- ATOM 469 O OP2 . DG B 2 11 ? -5.170 14.307 5.213 1.00 0.00 ? 24 DG B OP2 1
1513
- ATOM 470 O "O5'" . DG B 2 11 ? -3.734 12.518 6.239 1.00 0.00 ? 24 DG B "O5'" 1
1514
- ATOM 471 C "C5'" . DG B 2 11 ? -3.487 11.323 6.961 1.00 0.00 ? 24 DG B "C5'" 1
1515
- ATOM 472 C "C4'" . DG B 2 11 ? -1.990 11.095 7.211 1.00 0.00 ? 24 DG B "C4'" 1
1516
- ATOM 473 O "O4'" . DG B 2 11 ? -1.302 10.817 5.994 1.00 0.00 ? 24 DG B "O4'" 1
1517
- ATOM 474 C "C3'" . DG B 2 11 ? -1.332 12.302 7.888 1.00 0.00 ? 24 DG B "C3'" 1
1518
- ATOM 475 O "O3'" . DG B 2 11 ? -0.357 11.805 8.789 1.00 0.00 ? 24 DG B "O3'" 1
1519
- ATOM 476 C "C2'" . DG B 2 11 ? -0.680 12.980 6.685 1.00 0.00 ? 24 DG B "C2'" 1
1520
- ATOM 477 C "C1'" . DG B 2 11 ? -0.328 11.815 5.738 1.00 0.00 ? 24 DG B "C1'" 1
1521
- ATOM 478 N N9 . DG B 2 11 ? -0.219 12.165 4.304 1.00 0.00 ? 24 DG B N9 1
1522
- ATOM 479 C C8 . DG B 2 11 ? -1.021 12.980 3.557 1.00 0.00 ? 24 DG B C8 1
1523
- ATOM 480 N N7 . DG B 2 11 ? -0.715 13.044 2.292 1.00 0.00 ? 24 DG B N7 1
1524
- ATOM 481 C C5 . DG B 2 11 ? 0.415 12.239 2.196 1.00 0.00 ? 24 DG B C5 1
1525
- ATOM 482 C C6 . DG B 2 11 ? 1.250 11.956 1.077 1.00 0.00 ? 24 DG B C6 1
1526
- ATOM 483 O O6 . DG B 2 11 ? 1.050 12.242 -0.099 1.00 0.00 ? 24 DG B O6 1
1527
- ATOM 484 N N1 . DG B 2 11 ? 2.408 11.279 1.426 1.00 0.00 ? 24 DG B N1 1
1528
- ATOM 485 C C2 . DG B 2 11 ? 2.695 10.851 2.697 1.00 0.00 ? 24 DG B C2 1
1529
- ATOM 486 N N2 . DG B 2 11 ? 3.888 10.316 2.930 1.00 0.00 ? 24 DG B N2 1
1530
- ATOM 487 N N3 . DG B 2 11 ? 1.887 11.053 3.743 1.00 0.00 ? 24 DG B N3 1
1531
- ATOM 488 C C4 . DG B 2 11 ? 0.763 11.750 3.431 1.00 0.00 ? 24 DG B C4 1
1532
- ATOM 489 P P . DC B 2 12 ? 0.702 12.763 9.542 1.00 0.00 ? 25 DC B P 1
1533
- ATOM 490 O OP1 . DC B 2 12 ? 1.050 12.140 10.837 1.00 0.00 ? 25 DC B OP1 1
1534
- ATOM 491 O OP2 . DC B 2 12 ? 0.189 14.151 9.508 1.00 0.00 ? 25 DC B OP2 1
1535
- ATOM 492 O "O5'" . DC B 2 12 ? 1.993 12.683 8.575 1.00 0.00 ? 25 DC B "O5'" 1
1536
- ATOM 493 C "C5'" . DC B 2 12 ? 2.835 11.544 8.565 1.00 0.00 ? 25 DC B "C5'" 1
1537
- ATOM 494 C "C4'" . DC B 2 12 ? 4.097 11.810 7.740 1.00 0.00 ? 25 DC B "C4'" 1
1538
- ATOM 495 O "O4'" . DC B 2 12 ? 3.869 11.865 6.347 1.00 0.00 ? 25 DC B "O4'" 1
1539
- ATOM 496 C "C3'" . DC B 2 12 ? 4.892 13.042 8.184 1.00 0.00 ? 25 DC B "C3'" 1
1540
- ATOM 497 O "O3'" . DC B 2 12 ? 6.053 12.699 8.935 1.00 0.00 ? 25 DC B "O3'" 1
1541
- ATOM 498 C "C2'" . DC B 2 12 ? 5.200 13.746 6.885 1.00 0.00 ? 25 DC B "C2'" 1
1542
- ATOM 499 C "C1'" . DC B 2 12 ? 4.717 12.840 5.776 1.00 0.00 ? 25 DC B "C1'" 1
1543
- ATOM 500 N N1 . DC B 2 12 ? 4.020 13.575 4.706 1.00 0.00 ? 25 DC B N1 1
1544
- ATOM 501 C C2 . DC B 2 12 ? 4.588 13.693 3.448 1.00 0.00 ? 25 DC B C2 1
1545
- ATOM 502 O O2 . DC B 2 12 ? 5.736 13.320 3.234 1.00 0.00 ? 25 DC B O2 1
1546
- ATOM 503 N N3 . DC B 2 12 ? 3.857 14.249 2.442 1.00 0.00 ? 25 DC B N3 1
1547
- ATOM 504 C C4 . DC B 2 12 ? 2.629 14.720 2.689 1.00 0.00 ? 25 DC B C4 1
1548
- ATOM 505 N N4 . DC B 2 12 ? 1.908 15.132 1.654 1.00 0.00 ? 25 DC B N4 1
1549
- ATOM 506 C C5 . DC B 2 12 ? 2.055 14.678 4.006 1.00 0.00 ? 25 DC B C5 1
1550
- ATOM 507 C C6 . DC B 2 12 ? 2.794 14.084 4.970 1.00 0.00 ? 25 DC B C6 1
1551
- ATOM 508 P P . DT B 2 13 ? 7.148 13.796 9.435 1.00 0.00 ? 26 DT B P 1
1552
- ATOM 509 O OP1 . DT B 2 13 ? 7.973 13.164 10.489 1.00 0.00 ? 26 DT B OP1 1
1553
- ATOM 510 O OP2 . DT B 2 13 ? 6.433 15.059 9.724 1.00 0.00 ? 26 DT B OP2 1
1554
- ATOM 511 O "O5'" . DT B 2 13 ? 8.102 14.045 8.145 1.00 0.00 ? 26 DT B "O5'" 1
1555
- ATOM 512 C "C5'" . DT B 2 13 ? 8.820 12.978 7.550 1.00 0.00 ? 26 DT B "C5'" 1
1556
- ATOM 513 C "C4'" . DT B 2 13 ? 9.512 13.369 6.233 1.00 0.00 ? 26 DT B "C4'" 1
1557
- ATOM 514 O "O4'" . DT B 2 13 ? 8.617 13.616 5.157 1.00 0.00 ? 26 DT B "O4'" 1
1558
- ATOM 515 C "C3'" . DT B 2 13 ? 10.497 14.537 6.329 1.00 0.00 ? 26 DT B "C3'" 1
1559
- ATOM 516 O "O3'" . DT B 2 13 ? 11.826 14.084 6.185 1.00 0.00 ? 26 DT B "O3'" 1
1560
- ATOM 517 C "C2'" . DT B 2 13 ? 10.119 15.460 5.173 1.00 0.00 ? 26 DT B "C2'" 1
1561
- ATOM 518 C "C1'" . DT B 2 13 ? 9.103 14.679 4.344 1.00 0.00 ? 26 DT B "C1'" 1
1562
- ATOM 519 N N1 . DT B 2 13 ? 7.985 15.527 3.848 1.00 0.00 ? 26 DT B N1 1
1563
- ATOM 520 C C2 . DT B 2 13 ? 7.833 15.756 2.481 1.00 0.00 ? 26 DT B C2 1
1564
- ATOM 521 O O2 . DT B 2 13 ? 8.657 15.401 1.643 1.00 0.00 ? 26 DT B O2 1
1565
- ATOM 522 N N3 . DT B 2 13 ? 6.697 16.450 2.099 1.00 0.00 ? 26 DT B N3 1
1566
- ATOM 523 C C4 . DT B 2 13 ? 5.729 16.945 2.949 1.00 0.00 ? 26 DT B C4 1
1567
- ATOM 524 O O4 . DT B 2 13 ? 4.738 17.516 2.507 1.00 0.00 ? 26 DT B O4 1
1568
- ATOM 525 C C5 . DT B 2 13 ? 6.002 16.746 4.357 1.00 0.00 ? 26 DT B C5 1
1569
- ATOM 526 C C7 . DT B 2 13 ? 5.047 17.318 5.389 1.00 0.00 ? 26 DT B C7 1
1570
- ATOM 527 C C6 . DT B 2 13 ? 7.100 16.058 4.745 1.00 0.00 ? 26 DT B C6 1
1571
- #
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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