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RNAcentral-Struct

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RNA
RNAcentral
PDB
mmCIF
structural-biology
inverse-folding
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1
+ data_1KOD
2
+ #
3
+ _entry.id 1KOD
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.381
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 1KOD pdb_00001kod 10.2210/pdb1kod/pdb
15
+ WWPDB D_1000174468 ? ?
16
+ #
17
+ _pdbx_database_related.db_name PDB
18
+ _pdbx_database_related.db_id 1KOC
19
+ _pdbx_database_related.details '1 STRUCTURE'
20
+ _pdbx_database_related.content_type unspecified
21
+ #
22
+ _pdbx_database_status.status_code REL
23
+ _pdbx_database_status.entry_id 1KOD
24
+ _pdbx_database_status.recvd_initial_deposition_date 1996-03-28
25
+ _pdbx_database_status.deposit_site ?
26
+ _pdbx_database_status.process_site BNL
27
+ _pdbx_database_status.SG_entry .
28
+ _pdbx_database_status.pdb_format_compatible Y
29
+ _pdbx_database_status.status_code_mr ?
30
+ _pdbx_database_status.status_code_sf ?
31
+ _pdbx_database_status.status_code_cs ?
32
+ _pdbx_database_status.status_code_nmr_data ?
33
+ _pdbx_database_status.methods_development_category ?
34
+ #
35
+ loop_
36
+ _audit_author.name
37
+ _audit_author.pdbx_ordinal
38
+ 'Yang, Y.S.' 1
39
+ 'Kochoyan, M.' 2
40
+ 'Burgstaller, P.' 3
41
+ 'Westhof, E.' 4
42
+ 'Famulok, M.' 5
43
+ #
44
+ loop_
45
+ _citation.id
46
+ _citation.title
47
+ _citation.journal_abbrev
48
+ _citation.journal_volume
49
+ _citation.page_first
50
+ _citation.page_last
51
+ _citation.year
52
+ _citation.journal_id_ASTM
53
+ _citation.country
54
+ _citation.journal_id_ISSN
55
+ _citation.journal_id_CSD
56
+ _citation.book_publisher
57
+ _citation.pdbx_database_id_PubMed
58
+ _citation.pdbx_database_id_DOI
59
+ primary 'Structural basis of ligand discrimination by two related RNA aptamers resolved by NMR spectroscopy.' Science
60
+ 272 1343 1347 1996 SCIEAS US 0036-8075 0038 ? 8650546 ?
61
+ 1
62
+ ;Structural Probing and Damage Selection of Citrulline-and Arginine-Specific RNA Aptamers Identify Base Positions Required for Binding
63
+ ;
64
+ 'Nucleic Acids Res.' 23 4769 ? 1995 NARHAD UK 0305-1048 0389 ? ? ?
65
+ #
66
+ loop_
67
+ _citation_author.citation_id
68
+ _citation_author.name
69
+ _citation_author.ordinal
70
+ _citation_author.identifier_ORCID
71
+ primary 'Yang, Y.' 1 ?
72
+ primary 'Kochoyan, M.' 2 ?
73
+ primary 'Burgstaller, P.' 3 ?
74
+ primary 'Westhof, E.' 4 ?
75
+ primary 'Famulok, M.' 5 ?
76
+ 1 'Burgstaller, P.' 6 ?
77
+ 1 'Kochoyan, M.' 7 ?
78
+ 1 'Famulok, M.' 8 ?
79
+ #
80
+ _cell.entry_id 1KOD
81
+ _cell.length_a 1.000
82
+ _cell.length_b 1.000
83
+ _cell.length_c 1.000
84
+ _cell.angle_alpha 90.00
85
+ _cell.angle_beta 90.00
86
+ _cell.angle_gamma 90.00
87
+ _cell.Z_PDB 1
88
+ _cell.pdbx_unique_axis ?
89
+ #
90
+ _symmetry.entry_id 1KOD
91
+ _symmetry.space_group_name_H-M 'P 1'
92
+ _symmetry.pdbx_full_space_group_name_H-M ?
93
+ _symmetry.cell_setting ?
94
+ _symmetry.Int_Tables_number 1
95
+ #
96
+ loop_
97
+ _entity.id
98
+ _entity.type
99
+ _entity.src_method
100
+ _entity.pdbx_description
101
+ _entity.formula_weight
102
+ _entity.pdbx_number_of_molecules
103
+ _entity.pdbx_ec
104
+ _entity.pdbx_mutation
105
+ _entity.pdbx_fragment
106
+ _entity.details
107
+ 1 polymer syn
108
+ ;RNA (5'-R(P*AP*GP*AP*AP*GP*GP*AP*GP*UP*GP*U)-3')
109
+ ;
110
+ 3610.226 1 ? ? ? ?
111
+ 2 polymer syn
112
+ ;RNA (5'-R(P*AP*CP*GP*GP*UP*UP*AP*GP*GP*UP*CP*GP*CP*U)-3')
113
+ ;
114
+ 4479.691 1 ? ? ? ?
115
+ 3 non-polymer syn CITRULLINE 175.186 1 ? ? ? ?
116
+ #
117
+ loop_
118
+ _entity_poly.entity_id
119
+ _entity_poly.type
120
+ _entity_poly.nstd_linkage
121
+ _entity_poly.nstd_monomer
122
+ _entity_poly.pdbx_seq_one_letter_code
123
+ _entity_poly.pdbx_seq_one_letter_code_can
124
+ _entity_poly.pdbx_strand_id
125
+ _entity_poly.pdbx_target_identifier
126
+ 1 polyribonucleotide no no AGAAGGAGUGU AGAAGGAGUGU A ?
127
+ 2 polyribonucleotide no no ACGGUUAGGUCGCU ACGGUUAGGUCGCU B ?
128
+ #
129
+ loop_
130
+ _entity_poly_seq.entity_id
131
+ _entity_poly_seq.num
132
+ _entity_poly_seq.mon_id
133
+ _entity_poly_seq.hetero
134
+ 1 1 A n
135
+ 1 2 G n
136
+ 1 3 A n
137
+ 1 4 A n
138
+ 1 5 G n
139
+ 1 6 G n
140
+ 1 7 A n
141
+ 1 8 G n
142
+ 1 9 U n
143
+ 1 10 G n
144
+ 1 11 U n
145
+ 2 1 A n
146
+ 2 2 C n
147
+ 2 3 G n
148
+ 2 4 G n
149
+ 2 5 U n
150
+ 2 6 U n
151
+ 2 7 A n
152
+ 2 8 G n
153
+ 2 9 G n
154
+ 2 10 U n
155
+ 2 11 C n
156
+ 2 12 G n
157
+ 2 13 C n
158
+ 2 14 U n
159
+ #
160
+ loop_
161
+ _struct_ref.id
162
+ _struct_ref.entity_id
163
+ _struct_ref.db_name
164
+ _struct_ref.db_code
165
+ _struct_ref.pdbx_db_accession
166
+ _struct_ref.pdbx_db_isoform
167
+ _struct_ref.pdbx_seq_one_letter_code
168
+ _struct_ref.pdbx_align_begin
169
+ 1 1 PDB 1KOD 1KOD ? ? ?
170
+ 2 2 PDB 1KOD 1KOD ? ? ?
171
+ #
172
+ loop_
173
+ _struct_ref_seq.align_id
174
+ _struct_ref_seq.ref_id
175
+ _struct_ref_seq.pdbx_PDB_id_code
176
+ _struct_ref_seq.pdbx_strand_id
177
+ _struct_ref_seq.seq_align_beg
178
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code
179
+ _struct_ref_seq.seq_align_end
180
+ _struct_ref_seq.pdbx_seq_align_end_ins_code
181
+ _struct_ref_seq.pdbx_db_accession
182
+ _struct_ref_seq.db_align_beg
183
+ _struct_ref_seq.pdbx_db_align_beg_ins_code
184
+ _struct_ref_seq.db_align_end
185
+ _struct_ref_seq.pdbx_db_align_end_ins_code
186
+ _struct_ref_seq.pdbx_auth_seq_align_beg
187
+ _struct_ref_seq.pdbx_auth_seq_align_end
188
+ 1 1 1KOD A 1 ? 11 ? 1KOD 5 ? 15 ? 5 15
189
+ 2 2 1KOD B 1 ? 14 ? 1KOD 27 ? 40 ? 27 40
190
+ #
191
+ loop_
192
+ _chem_comp.id
193
+ _chem_comp.type
194
+ _chem_comp.mon_nstd_flag
195
+ _chem_comp.name
196
+ _chem_comp.pdbx_synonyms
197
+ _chem_comp.formula
198
+ _chem_comp.formula_weight
199
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
200
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
201
+ CIR 'L-peptide linking' n CITRULLINE ? 'C6 H13 N3 O3' 175.186
202
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
203
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
204
+ #
205
+ _pdbx_nmr_ensemble.entry_id 1KOD
206
+ _pdbx_nmr_ensemble.conformers_calculated_total_number ?
207
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
208
+ _pdbx_nmr_ensemble.conformer_selection_criteria ?
209
+ #
210
+ _pdbx_nmr_software.classification refinement
211
+ _pdbx_nmr_software.name NUCLSQ
212
+ _pdbx_nmr_software.version ?
213
+ _pdbx_nmr_software.authors WESTHOF,DUMAS,MORAS
214
+ _pdbx_nmr_software.ordinal 1
215
+ #
216
+ _exptl.entry_id 1KOD
217
+ _exptl.method 'SOLUTION NMR'
218
+ _exptl.crystals_number ?
219
+ #
220
+ _struct.entry_id 1KOD
221
+ _struct.title 'RNA APTAMER COMPLEXED WITH CITRULLINE, NMR'
222
+ _struct.pdbx_model_details ?
223
+ _struct.pdbx_CASP_flag ?
224
+ _struct.pdbx_model_type_details ?
225
+ #
226
+ _struct_keywords.entry_id 1KOD
227
+ _struct_keywords.pdbx_keywords RNA
228
+ _struct_keywords.text 'IN VITRO SELECTED RNA, RNA APTAMER, RNA'
229
+ #
230
+ loop_
231
+ _struct_asym.id
232
+ _struct_asym.pdbx_blank_PDB_chainid_flag
233
+ _struct_asym.pdbx_modified
234
+ _struct_asym.entity_id
235
+ _struct_asym.details
236
+ A N N 1 ?
237
+ B N N 2 ?
238
+ C N N 3 ?
239
+ #
240
+ _struct_biol.id 1
241
+ #
242
+ loop_
243
+ _struct_conn.id
244
+ _struct_conn.conn_type_id
245
+ _struct_conn.pdbx_leaving_atom_flag
246
+ _struct_conn.pdbx_PDB_id
247
+ _struct_conn.ptnr1_label_asym_id
248
+ _struct_conn.ptnr1_label_comp_id
249
+ _struct_conn.ptnr1_label_seq_id
250
+ _struct_conn.ptnr1_label_atom_id
251
+ _struct_conn.pdbx_ptnr1_label_alt_id
252
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
253
+ _struct_conn.pdbx_ptnr1_standard_comp_id
254
+ _struct_conn.ptnr1_symmetry
255
+ _struct_conn.ptnr2_label_asym_id
256
+ _struct_conn.ptnr2_label_comp_id
257
+ _struct_conn.ptnr2_label_seq_id
258
+ _struct_conn.ptnr2_label_atom_id
259
+ _struct_conn.pdbx_ptnr2_label_alt_id
260
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
261
+ _struct_conn.ptnr1_auth_asym_id
262
+ _struct_conn.ptnr1_auth_comp_id
263
+ _struct_conn.ptnr1_auth_seq_id
264
+ _struct_conn.ptnr2_auth_asym_id
265
+ _struct_conn.ptnr2_auth_comp_id
266
+ _struct_conn.ptnr2_auth_seq_id
267
+ _struct_conn.ptnr2_symmetry
268
+ _struct_conn.pdbx_ptnr3_label_atom_id
269
+ _struct_conn.pdbx_ptnr3_label_seq_id
270
+ _struct_conn.pdbx_ptnr3_label_comp_id
271
+ _struct_conn.pdbx_ptnr3_label_asym_id
272
+ _struct_conn.pdbx_ptnr3_label_alt_id
273
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
274
+ _struct_conn.details
275
+ _struct_conn.pdbx_dist_value
276
+ _struct_conn.pdbx_value_order
277
+ _struct_conn.pdbx_role
278
+ hydrog1 hydrog ? ? A A 1 N1 ? ? ? 1_555 B U 14 N3 ? ? A A 5 B U 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
279
+ hydrog2 hydrog ? ? A A 1 N6 ? ? ? 1_555 B U 14 O4 ? ? A A 5 B U 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
280
+ hydrog3 hydrog ? ? A G 2 N1 ? ? ? 1_555 B C 13 N3 ? ? A G 6 B C 39 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
281
+ hydrog4 hydrog ? ? A G 2 N2 ? ? ? 1_555 B C 13 O2 ? ? A G 6 B C 39 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
282
+ hydrog5 hydrog ? ? A G 2 O6 ? ? ? 1_555 B C 13 N4 ? ? A G 6 B C 39 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
283
+ hydrog6 hydrog ? ? A G 2 N1 ? ? ? 1_555 B U 14 O2 ? ? A G 6 B U 40 1_555 ? ? ? ? ? ? 'G-U MISPAIR' ? ? ?
284
+ hydrog7 hydrog ? ? A A 3 N1 ? ? ? 1_555 B G 12 N1 ? ? A A 7 B G 38 1_555 ? ? ? ? ? ? TYPE_8_PAIR ? ? ?
285
+ hydrog8 hydrog ? ? A A 3 N6 ? ? ? 1_555 B G 12 O6 ? ? A A 7 B G 38 1_555 ? ? ? ? ? ? TYPE_8_PAIR ? ? ?
286
+ hydrog9 hydrog ? ? A A 3 N6 ? ? ? 1_555 B C 13 N3 ? ? A A 7 B C 39 1_555 ? ? ? ? ? ? 'A-C MISPAIR' ? ? ?
287
+ hydrog10 hydrog ? ? A G 5 N1 ? ? ? 1_555 A G 8 N7 ? ? A G 9 A G 12 1_555 ? ? ? ? ? ? 'G-G MISPAIR' ? ? ?
288
+ hydrog11 hydrog ? ? A G 6 N1 ? ? ? 1_555 B C 11 O2 ? ? A G 10 B C 37 1_555 ? ? ? ? ? ? 'G-C PAIR' ? ? ?
289
+ hydrog12 hydrog ? ? A A 7 N6 ? ? ? 1_555 B G 4 O6 ? ? A A 11 B G 30 1_555 ? ? ? ? ? ? 'A-G MISPAIR' ? ? ?
290
+ hydrog13 hydrog ? ? A A 7 N1 ? ? ? 1_555 B U 10 N3 ? ? A A 11 B U 36 1_555 ? ? ? ? ? ? 'A-U PAIR' ? ? ?
291
+ hydrog14 hydrog ? ? A G 8 N1 ? ? ? 1_555 B G 9 O6 ? ? A G 12 B G 35 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
292
+ hydrog15 hydrog ? ? A G 8 N2 ? ? ? 1_555 B G 9 N7 ? ? A G 12 B G 35 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
293
+ hydrog16 hydrog ? ? A U 9 O4 ? ? ? 1_555 B G 3 N1 ? ? A U 13 B G 29 1_555 ? ? ? ? ? ? 'U-G MISPAIR' ? ? ?
294
+ hydrog17 hydrog ? ? A G 10 N1 ? ? ? 1_555 B C 2 N3 ? ? A G 14 B C 28 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
295
+ hydrog18 hydrog ? ? A G 10 N2 ? ? ? 1_555 B C 2 O2 ? ? A G 14 B C 28 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
296
+ hydrog19 hydrog ? ? A G 10 O6 ? ? ? 1_555 B C 2 N4 ? ? A G 14 B C 28 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
297
+ hydrog20 hydrog ? ? A U 11 N3 ? ? ? 1_555 B A 1 N1 ? ? A U 15 B A 27 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
298
+ hydrog21 hydrog ? ? A U 11 O4 ? ? ? 1_555 B A 1 N6 ? ? A U 15 B A 27 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
299
+ hydrog22 hydrog ? ? B A 7 N3 ? ? ? 1_555 B G 9 N1 ? ? B A 33 B G 35 1_555 ? ? ? ? ? ? 'A-G MISPAIR' ? ? ?
300
+ hydrog23 hydrog ? ? B G 8 O6 ? ? ? 1_555 B C 11 N4 ? ? B G 34 B C 37 1_555 ? ? ? ? ? ? 'G-C PAIR' ? ? ?
301
+ hydrog24 hydrog ? ? B G 8 N1 ? ? ? 1_555 B G 12 O6 ? ? B G 34 B G 38 1_555 ? ? ? ? ? ? 'G-G MISPAIR' ? ? ?
302
+ #
303
+ _struct_conn_type.id hydrog
304
+ _struct_conn_type.criteria ?
305
+ _struct_conn_type.reference ?
306
+ #
307
+ _struct_site.id AC1
308
+ _struct_site.pdbx_evidence_code Software
309
+ _struct_site.pdbx_auth_asym_id B
310
+ _struct_site.pdbx_auth_comp_id CIR
311
+ _struct_site.pdbx_auth_seq_id 1
312
+ _struct_site.pdbx_auth_ins_code ?
313
+ _struct_site.pdbx_num_residues 6
314
+ _struct_site.details 'BINDING SITE FOR RESIDUE CIR B 1'
315
+ #
316
+ loop_
317
+ _struct_site_gen.id
318
+ _struct_site_gen.site_id
319
+ _struct_site_gen.pdbx_num_res
320
+ _struct_site_gen.label_comp_id
321
+ _struct_site_gen.label_asym_id
322
+ _struct_site_gen.label_seq_id
323
+ _struct_site_gen.pdbx_auth_ins_code
324
+ _struct_site_gen.auth_comp_id
325
+ _struct_site_gen.auth_asym_id
326
+ _struct_site_gen.auth_seq_id
327
+ _struct_site_gen.label_atom_id
328
+ _struct_site_gen.label_alt_id
329
+ _struct_site_gen.symmetry
330
+ _struct_site_gen.details
331
+ 1 AC1 6 G A 8 ? G A 12 . ? 1_555 ?
332
+ 2 AC1 6 U A 9 ? U A 13 . ? 1_555 ?
333
+ 3 AC1 6 G B 4 ? G B 30 . ? 1_555 ?
334
+ 4 AC1 6 U B 5 ? U B 31 . ? 1_555 ?
335
+ 5 AC1 6 A B 7 ? A B 33 . ? 1_555 ?
336
+ 6 AC1 6 G B 9 ? G B 35 . ? 1_555 ?
337
+ #
338
+ _database_PDB_matrix.entry_id 1KOD
339
+ _database_PDB_matrix.origx[1][1] 1.000000
340
+ _database_PDB_matrix.origx[1][2] 0.000000
341
+ _database_PDB_matrix.origx[1][3] 0.000000
342
+ _database_PDB_matrix.origx[2][1] 0.000000
343
+ _database_PDB_matrix.origx[2][2] 1.000000
344
+ _database_PDB_matrix.origx[2][3] 0.000000
345
+ _database_PDB_matrix.origx[3][1] 0.000000
346
+ _database_PDB_matrix.origx[3][2] 0.000000
347
+ _database_PDB_matrix.origx[3][3] 1.000000
348
+ _database_PDB_matrix.origx_vector[1] 0.00000
349
+ _database_PDB_matrix.origx_vector[2] 0.00000
350
+ _database_PDB_matrix.origx_vector[3] 0.00000
351
+ #
352
+ _atom_sites.entry_id 1KOD
353
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
354
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
355
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
356
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
357
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
358
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
359
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
360
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
361
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
362
+ _atom_sites.fract_transf_vector[1] 0.00000
363
+ _atom_sites.fract_transf_vector[2] 0.00000
364
+ _atom_sites.fract_transf_vector[3] 0.00000
365
+ #
366
+ loop_
367
+ _atom_type.symbol
368
+ C
369
+ N
370
+ O
371
+ P
372
+ #
373
+ loop_
374
+ _atom_site.group_PDB
375
+ _atom_site.id
376
+ _atom_site.type_symbol
377
+ _atom_site.label_atom_id
378
+ _atom_site.label_alt_id
379
+ _atom_site.label_comp_id
380
+ _atom_site.label_asym_id
381
+ _atom_site.label_entity_id
382
+ _atom_site.label_seq_id
383
+ _atom_site.pdbx_PDB_ins_code
384
+ _atom_site.Cartn_x
385
+ _atom_site.Cartn_y
386
+ _atom_site.Cartn_z
387
+ _atom_site.occupancy
388
+ _atom_site.B_iso_or_equiv
389
+ _atom_site.pdbx_formal_charge
390
+ _atom_site.auth_seq_id
391
+ _atom_site.auth_comp_id
392
+ _atom_site.auth_asym_id
393
+ _atom_site.auth_atom_id
394
+ _atom_site.pdbx_PDB_model_num
395
+ ATOM 1 P P . A A 1 1 ? -2.920 13.600 18.428 1.00 1.00 ? 5 A A P 1
396
+ ATOM 2 O OP1 . A A 1 1 ? -2.135 12.867 19.461 1.00 1.00 ? 5 A A OP1 1
397
+ ATOM 3 O OP2 . A A 1 1 ? -3.744 14.678 19.067 1.00 1.00 ? 5 A A OP2 1
398
+ ATOM 4 O "O5'" . A A 1 1 ? -3.968 12.661 17.688 1.00 1.00 ? 5 A A "O5'" 1
399
+ ATOM 5 C "C5'" . A A 1 1 ? -4.808 13.202 16.664 1.00 1.00 ? 5 A A "C5'" 1
400
+ ATOM 6 C "C4'" . A A 1 1 ? -5.742 12.145 16.078 1.00 1.00 ? 5 A A "C4'" 1
401
+ ATOM 7 O "O4'" . A A 1 1 ? -5.096 11.424 15.008 1.00 1.00 ? 5 A A "O4'" 1
402
+ ATOM 8 C "C3'" . A A 1 1 ? -6.164 11.137 17.135 1.00 1.00 ? 5 A A "C3'" 1
403
+ ATOM 9 O "O3'" . A A 1 1 ? -7.521 11.349 17.543 1.00 1.00 ? 5 A A "O3'" 1
404
+ ATOM 10 C "C2'" . A A 1 1 ? -5.982 9.775 16.510 1.00 1.00 ? 5 A A "C2'" 1
405
+ ATOM 11 O "O2'" . A A 1 1 ? -7.241 9.148 16.260 1.00 1.00 ? 5 A A "O2'" 1
406
+ ATOM 12 C "C1'" . A A 1 1 ? -5.238 9.999 15.207 1.00 1.00 ? 5 A A "C1'" 1
407
+ ATOM 13 N N9 . A A 1 1 ? -3.922 9.338 15.243 1.00 1.00 ? 5 A A N9 1
408
+ ATOM 14 C C8 . A A 1 1 ? -2.787 9.716 15.873 1.00 1.00 ? 5 A A C8 1
409
+ ATOM 15 N N7 . A A 1 1 ? -1.749 8.961 15.741 1.00 1.00 ? 5 A A N7 1
410
+ ATOM 16 C C5 . A A 1 1 ? -2.245 7.944 14.919 1.00 1.00 ? 5 A A C5 1
411
+ ATOM 17 C C6 . A A 1 1 ? -1.661 6.794 14.380 1.00 1.00 ? 5 A A C6 1
412
+ ATOM 18 N N6 . A A 1 1 ? -0.385 6.470 14.573 1.00 1.00 ? 5 A A N6 1
413
+ ATOM 19 N N1 . A A 1 1 ? -2.436 6.003 13.616 1.00 1.00 ? 5 A A N1 1
414
+ ATOM 20 C C2 . A A 1 1 ? -3.713 6.327 13.391 1.00 1.00 ? 5 A A C2 1
415
+ ATOM 21 N N3 . A A 1 1 ? -4.365 7.392 13.849 1.00 1.00 ? 5 A A N3 1
416
+ ATOM 22 C C4 . A A 1 1 ? -3.567 8.164 14.614 1.00 1.00 ? 5 A A C4 1
417
+ ATOM 23 P P . G A 1 2 ? -8.011 10.915 19.018 1.00 1.00 ? 6 G A P 1
418
+ ATOM 24 O OP1 . G A 1 2 ? -9.317 11.559 19.282 1.00 1.00 ? 6 G A OP1 1
419
+ ATOM 25 O OP2 . G A 1 2 ? -6.886 11.118 19.958 1.00 1.00 ? 6 G A OP2 1
420
+ ATOM 26 O "O5'" . G A 1 2 ? -8.253 9.331 18.855 1.00 1.00 ? 6 G A "O5'" 1
421
+ ATOM 27 C "C5'" . G A 1 2 ? -9.254 8.839 17.958 1.00 1.00 ? 6 G A "C5'" 1
422
+ ATOM 28 C "C4'" . G A 1 2 ? -9.244 7.314 17.867 1.00 1.00 ? 6 G A "C4'" 1
423
+ ATOM 29 O "O4'" . G A 1 2 ? -8.095 6.839 17.134 1.00 1.00 ? 6 G A "O4'" 1
424
+ ATOM 30 C "C3'" . G A 1 2 ? -9.203 6.677 19.247 1.00 1.00 ? 6 G A "C3'" 1
425
+ ATOM 31 O "O3'" . G A 1 2 ? -10.497 6.184 19.628 1.00 1.00 ? 6 G A "O3'" 1
426
+ ATOM 32 C "C2'" . G A 1 2 ? -8.190 5.559 19.154 1.00 1.00 ? 6 G A "C2'" 1
427
+ ATOM 33 O "O2'" . G A 1 2 ? -8.812 4.286 19.322 1.00 1.00 ? 6 G A "O2'" 1
428
+ ATOM 34 C "C1'" . G A 1 2 ? -7.563 5.660 17.775 1.00 1.00 ? 6 G A "C1'" 1
429
+ ATOM 35 N N9 . G A 1 2 ? -6.090 5.712 17.876 1.00 1.00 ? 6 G A N9 1
430
+ ATOM 36 C C8 . G A 1 2 ? -5.284 6.721 18.282 1.00 1.00 ? 6 G A C8 1
431
+ ATOM 37 N N7 . G A 1 2 ? -4.010 6.506 18.292 1.00 1.00 ? 6 G A N7 1
432
+ ATOM 38 C C5 . G A 1 2 ? -3.941 5.186 17.839 1.00 1.00 ? 6 G A C5 1
433
+ ATOM 39 C C6 . G A 1 2 ? -2.808 4.352 17.629 1.00 1.00 ? 6 G A C6 1
434
+ ATOM 40 O O6 . G A 1 2 ? -1.621 4.617 17.808 1.00 1.00 ? 6 G A O6 1
435
+ ATOM 41 N N1 . G A 1 2 ? -3.179 3.095 17.171 1.00 1.00 ? 6 G A N1 1
436
+ ATOM 42 C C2 . G A 1 2 ? -4.477 2.683 16.941 1.00 1.00 ? 6 G A C2 1
437
+ ATOM 43 N N2 . G A 1 2 ? -4.629 1.431 16.508 1.00 1.00 ? 6 G A N2 1
438
+ ATOM 44 N N3 . G A 1 2 ? -5.547 3.460 17.134 1.00 1.00 ? 6 G A N3 1
439
+ ATOM 45 C C4 . G A 1 2 ? -5.211 4.691 17.582 1.00 1.00 ? 6 G A C4 1
440
+ ATOM 46 P P . A A 1 3 ? -10.820 5.820 21.168 1.00 1.00 ? 7 A A P 1
441
+ ATOM 47 O OP1 . A A 1 3 ? -12.280 5.941 21.378 1.00 1.00 ? 7 A A OP1 1
442
+ ATOM 48 O OP2 . A A 1 3 ? -9.887 6.580 22.030 1.00 1.00 ? 7 A A OP2 1
443
+ ATOM 49 O "O5'" . A A 1 3 ? -10.426 4.260 21.257 1.00 1.00 ? 7 A A "O5'" 1
444
+ ATOM 50 C "C5'" . A A 1 3 ? -11.170 3.279 20.528 1.00 1.00 ? 7 A A "C5'" 1
445
+ ATOM 51 C "C4'" . A A 1 3 ? -10.500 1.908 20.570 1.00 1.00 ? 7 A A "C4'" 1
446
+ ATOM 52 O "O4'" . A A 1 3 ? -9.282 1.907 19.800 1.00 1.00 ? 7 A A "O4'" 1
447
+ ATOM 53 C "C3'" . A A 1 3 ? -10.153 1.506 21.997 1.00 1.00 ? 7 A A "C3'" 1
448
+ ATOM 54 O "O3'" . A A 1 3 ? -11.002 0.440 22.445 1.00 1.00 ? 7 A A "O3'" 1
449
+ ATOM 55 C "C2'" . A A 1 3 ? -8.704 1.077 21.968 1.00 1.00 ? 7 A A "C2'" 1
450
+ ATOM 56 O "O2'" . A A 1 3 ? -8.553 -0.271 22.423 1.00 1.00 ? 7 A A "O2'" 1
451
+ ATOM 57 C "C1'" . A A 1 3 ? -8.251 1.213 20.523 1.00 1.00 ? 7 A A "C1'" 1
452
+ ATOM 58 N N9 . A A 1 3 ? -6.953 1.912 20.437 1.00 1.00 ? 7 A A N9 1
453
+ ATOM 59 C C8 . A A 1 3 ? -6.631 3.202 20.704 1.00 1.00 ? 7 A A C8 1
454
+ ATOM 60 N N7 . A A 1 3 ? -5.388 3.539 20.606 1.00 1.00 ? 7 A A N7 1
455
+ ATOM 61 C C5 . A A 1 3 ? -4.800 2.330 20.221 1.00 1.00 ? 7 A A C5 1
456
+ ATOM 62 C C6 . A A 1 3 ? -3.481 1.961 19.937 1.00 1.00 ? 7 A A C6 1
457
+ ATOM 63 N N6 . A A 1 3 ? -2.445 2.797 20.027 1.00 1.00 ? 7 A A N6 1
458
+ ATOM 64 N N1 . A A 1 3 ? -3.265 0.685 19.582 1.00 1.00 ? 7 A A N1 1
459
+ ATOM 65 C C2 . A A 1 3 ? -4.266 -0.177 19.514 1.00 1.00 ? 7 A A C2 1
460
+ ATOM 66 N N3 . A A 1 3 ? -5.546 0.056 19.763 1.00 1.00 ? 7 A A N3 1
461
+ ATOM 67 C C4 . A A 1 3 ? -5.747 1.340 20.114 1.00 1.00 ? 7 A A C4 1
462
+ ATOM 68 P P . A A 1 4 ? -11.218 0.159 24.018 1.00 1.00 ? 8 A A P 1
463
+ ATOM 69 O OP1 . A A 1 4 ? -12.566 0.640 24.396 1.00 1.00 ? 8 A A OP1 1
464
+ ATOM 70 O OP2 . A A 1 4 ? -10.028 0.653 24.745 1.00 1.00 ? 8 A A OP2 1
465
+ ATOM 71 O "O5'" . A A 1 4 ? -11.223 -1.451 24.090 1.00 1.00 ? 8 A A "O5'" 1
466
+ ATOM 72 C "C5'" . A A 1 4 ? -9.996 -2.187 24.062 1.00 1.00 ? 8 A A "C5'" 1
467
+ ATOM 73 C "C4'" . A A 1 4 ? -10.216 -3.623 23.587 1.00 1.00 ? 8 A A "C4'" 1
468
+ ATOM 74 O "O4'" . A A 1 4 ? -9.744 -3.792 22.236 1.00 1.00 ? 8 A A "O4'" 1
469
+ ATOM 75 C "C3'" . A A 1 4 ? -9.477 -4.614 24.472 1.00 1.00 ? 8 A A "C3'" 1
470
+ ATOM 76 O "O3'" . A A 1 4 ? -10.398 -5.384 25.253 1.00 1.00 ? 8 A A "O3'" 1
471
+ ATOM 77 C "C2'" . A A 1 4 ? -8.676 -5.500 23.545 1.00 1.00 ? 8 A A "C2'" 1
472
+ ATOM 78 O "O2'" . A A 1 4 ? -9.130 -6.857 23.613 1.00 1.00 ? 8 A A "O2'" 1
473
+ ATOM 79 C "C1'" . A A 1 4 ? -8.865 -4.934 22.144 1.00 1.00 ? 8 A A "C1'" 1
474
+ ATOM 80 N N9 . A A 1 4 ? -7.569 -4.548 21.555 1.00 1.00 ? 8 A A N9 1
475
+ ATOM 81 C C8 . A A 1 4 ? -6.613 -3.720 22.040 1.00 1.00 ? 8 A A C8 1
476
+ ATOM 82 N N7 . A A 1 4 ? -5.546 -3.558 21.330 1.00 1.00 ? 8 A A N7 1
477
+ ATOM 83 C C5 . A A 1 4 ? -5.815 -4.379 20.228 1.00 1.00 ? 8 A A C5 1
478
+ ATOM 84 C C6 . A A 1 4 ? -5.090 -4.682 19.068 1.00 1.00 ? 8 A A C6 1
479
+ ATOM 85 N N6 . A A 1 4 ? -3.892 -4.163 18.798 1.00 1.00 ? 8 A A N6 1
480
+ ATOM 86 N N1 . A A 1 4 ? -5.651 -5.531 18.190 1.00 1.00 ? 8 A A N1 1
481
+ ATOM 87 C C2 . A A 1 4 ? -6.855 -6.055 18.432 1.00 1.00 ? 8 A A C2 1
482
+ ATOM 88 N N3 . A A 1 4 ? -7.626 -5.838 19.493 1.00 1.00 ? 8 A A N3 1
483
+ ATOM 89 C C4 . A A 1 4 ? -7.043 -4.985 20.359 1.00 1.00 ? 8 A A C4 1
484
+ ATOM 90 P P . G A 1 5 ? -10.036 -5.813 26.762 1.00 1.00 ? 9 G A P 1
485
+ ATOM 91 O OP1 . G A 1 5 ? -10.502 -7.201 26.973 1.00 1.00 ? 9 G A OP1 1
486
+ ATOM 92 O OP2 . G A 1 5 ? -10.487 -4.735 27.671 1.00 1.00 ? 9 G A OP2 1
487
+ ATOM 93 O "O5'" . G A 1 5 ? -8.424 -5.815 26.747 1.00 1.00 ? 9 G A "O5'" 1
488
+ ATOM 94 C "C5'" . G A 1 5 ? -7.685 -6.804 27.467 1.00 1.00 ? 9 G A "C5'" 1
489
+ ATOM 95 C "C4'" . G A 1 5 ? -6.780 -7.610 26.540 1.00 1.00 ? 9 G A "C4'" 1
490
+ ATOM 96 O "O4'" . G A 1 5 ? -5.670 -6.807 26.093 1.00 1.00 ? 9 G A "O4'" 1
491
+ ATOM 97 C "C3'" . G A 1 5 ? -6.220 -8.824 27.260 1.00 1.00 ? 9 G A "C3'" 1
492
+ ATOM 98 O "O3'" . G A 1 5 ? -6.410 -9.996 26.448 1.00 1.00 ? 9 G A "O3'" 1
493
+ ATOM 99 C "C2'" . G A 1 5 ? -4.756 -8.517 27.501 1.00 1.00 ? 9 G A "C2'" 1
494
+ ATOM 100 O "O2'" . G A 1 5 ? -3.910 -9.610 27.149 1.00 1.00 ? 9 G A "O2'" 1
495
+ ATOM 101 C "C1'" . G A 1 5 ? -4.436 -7.304 26.653 1.00 1.00 ? 9 G A "C1'" 1
496
+ ATOM 102 N N9 . G A 1 5 ? -3.769 -6.270 27.455 1.00 1.00 ? 9 G A N9 1
497
+ ATOM 103 C C8 . G A 1 5 ? -4.168 -5.012 27.739 1.00 1.00 ? 9 G A C8 1
498
+ ATOM 104 N N7 . G A 1 5 ? -3.400 -4.291 28.491 1.00 1.00 ? 9 G A N7 1
499
+ ATOM 105 C C5 . G A 1 5 ? -2.346 -5.182 28.742 1.00 1.00 ? 9 G A C5 1
500
+ ATOM 106 C C6 . G A 1 5 ? -1.163 -5.006 29.506 1.00 1.00 ? 9 G A C6 1
501
+ ATOM 107 O O6 . G A 1 5 ? -0.811 -4.022 30.149 1.00 1.00 ? 9 G A O6 1
502
+ ATOM 108 N N1 . G A 1 5 ? -0.369 -6.149 29.489 1.00 1.00 ? 9 G A N1 1
503
+ ATOM 109 C C2 . G A 1 5 ? -0.674 -7.321 28.828 1.00 1.00 ? 9 G A C2 1
504
+ ATOM 110 N N2 . G A 1 5 ? 0.208 -8.315 28.945 1.00 1.00 ? 9 G A N2 1
505
+ ATOM 111 N N3 . G A 1 5 ? -1.783 -7.495 28.110 1.00 1.00 ? 9 G A N3 1
506
+ ATOM 112 C C4 . G A 1 5 ? -2.570 -6.394 28.108 1.00 1.00 ? 9 G A C4 1
507
+ ATOM 113 P P . G A 1 6 ? -5.894 -11.458 26.899 1.00 1.00 ? 10 G A P 1
508
+ ATOM 114 O OP1 . G A 1 6 ? -6.950 -12.442 26.577 1.00 1.00 ? 10 G A OP1 1
509
+ ATOM 115 O OP2 . G A 1 6 ? -5.362 -11.371 28.278 1.00 1.00 ? 10 G A OP2 1
510
+ ATOM 116 O "O5'" . G A 1 6 ? -4.660 -11.695 25.888 1.00 1.00 ? 10 G A "O5'" 1
511
+ ATOM 117 C "C5'" . G A 1 6 ? -4.622 -11.009 24.629 1.00 1.00 ? 10 G A "C5'" 1
512
+ ATOM 118 C "C4'" . G A 1 6 ? -3.204 -10.898 24.073 1.00 1.00 ? 10 G A "C4'" 1
513
+ ATOM 119 O "O4'" . G A 1 6 ? -3.145 -9.928 23.002 1.00 1.00 ? 10 G A "O4'" 1
514
+ ATOM 120 C "C3'" . G A 1 6 ? -2.211 -10.446 25.132 1.00 1.00 ? 10 G A "C3'" 1
515
+ ATOM 121 O "O3'" . G A 1 6 ? -1.544 -11.544 25.763 1.00 1.00 ? 10 G A "O3'" 1
516
+ ATOM 122 C "C2'" . G A 1 6 ? -1.237 -9.573 24.397 1.00 1.00 ? 10 G A "C2'" 1
517
+ ATOM 123 O "O2'" . G A 1 6 ? -0.070 -10.307 24.024 1.00 1.00 ? 10 G A "O2'" 1
518
+ ATOM 124 C "C1'" . G A 1 6 ? -1.972 -9.095 23.162 1.00 1.00 ? 10 G A "C1'" 1
519
+ ATOM 125 N N9 . G A 1 6 ? -2.326 -7.666 23.303 1.00 1.00 ? 10 G A N9 1
520
+ ATOM 126 C C8 . G A 1 6 ? -3.490 -7.079 23.699 1.00 1.00 ? 10 G A C8 1
521
+ ATOM 127 N N7 . G A 1 6 ? -3.513 -5.792 23.773 1.00 1.00 ? 10 G A N7 1
522
+ ATOM 128 C C5 . G A 1 6 ? -2.211 -5.458 23.390 1.00 1.00 ? 10 G A C5 1
523
+ ATOM 129 C C6 . G A 1 6 ? -1.597 -4.183 23.277 1.00 1.00 ? 10 G A C6 1
524
+ ATOM 130 O O6 . G A 1 6 ? -2.098 -3.079 23.480 1.00 1.00 ? 10 G A O6 1
525
+ ATOM 131 N N1 . G A 1 6 ? -0.269 -4.291 22.869 1.00 1.00 ? 10 G A N1 1
526
+ ATOM 132 C C2 . G A 1 6 ? 0.384 -5.471 22.598 1.00 1.00 ? 10 G A C2 1
527
+ ATOM 133 N N2 . G A 1 6 ? 1.657 -5.354 22.222 1.00 1.00 ? 10 G A N2 1
528
+ ATOM 134 N N3 . G A 1 6 ? -0.187 -6.676 22.699 1.00 1.00 ? 10 G A N3 1
529
+ ATOM 135 C C4 . G A 1 6 ? -1.479 -6.598 23.099 1.00 1.00 ? 10 G A C4 1
530
+ ATOM 136 P P . A A 1 7 ? -0.758 -11.319 27.159 1.00 1.00 ? 11 A A P 1
531
+ ATOM 137 O OP1 . A A 1 7 ? -0.069 -12.581 27.510 1.00 1.00 ? 11 A A OP1 1
532
+ ATOM 138 O OP2 . A A 1 7 ? -1.695 -10.701 28.124 1.00 1.00 ? 11 A A OP2 1
533
+ ATOM 139 O "O5'" . A A 1 7 ? 0.363 -10.220 26.773 1.00 1.00 ? 11 A A "O5'" 1
534
+ ATOM 140 C "C5'" . A A 1 7 ? 1.548 -10.613 26.075 1.00 1.00 ? 11 A A "C5'" 1
535
+ ATOM 141 C "C4'" . A A 1 7 ? 2.293 -9.423 25.459 1.00 1.00 ? 11 A A "C4'" 1
536
+ ATOM 142 O "O4'" . A A 1 7 ? 1.394 -8.382 25.021 1.00 1.00 ? 11 A A "O4'" 1
537
+ ATOM 143 C "C3'" . A A 1 7 ? 3.249 -8.790 26.450 1.00 1.00 ? 11 A A "C3'" 1
538
+ ATOM 144 O "O3'" . A A 1 7 ? 4.567 -9.339 26.324 1.00 1.00 ? 11 A A "O3'" 1
539
+ ATOM 145 C "C2'" . A A 1 7 ? 3.227 -7.311 26.136 1.00 1.00 ? 11 A A "C2'" 1
540
+ ATOM 146 O "O2'" . A A 1 7 ? 4.438 -6.902 25.491 1.00 1.00 ? 11 A A "O2'" 1
541
+ ATOM 147 C "C1'" . A A 1 7 ? 2.024 -7.096 25.223 1.00 1.00 ? 11 A A "C1'" 1
542
+ ATOM 148 N N9 . A A 1 7 ? 1.094 -6.124 25.815 1.00 1.00 ? 11 A A N9 1
543
+ ATOM 149 C C8 . A A 1 7 ? -0.250 -6.132 25.831 1.00 1.00 ? 11 A A C8 1
544
+ ATOM 150 N N7 . A A 1 7 ? -0.849 -5.134 26.377 1.00 1.00 ? 11 A A N7 1
545
+ ATOM 151 C C5 . A A 1 7 ? 0.229 -4.351 26.785 1.00 1.00 ? 11 A A C5 1
546
+ ATOM 152 C C6 . A A 1 7 ? 0.306 -3.128 27.446 1.00 1.00 ? 11 A A C6 1
547
+ ATOM 153 N N6 . A A 1 7 ? -0.773 -2.453 27.839 1.00 1.00 ? 11 A A N6 1
548
+ ATOM 154 N N1 . A A 1 7 ? 1.531 -2.635 27.694 1.00 1.00 ? 11 A A N1 1
549
+ ATOM 155 C C2 . A A 1 7 ? 2.619 -3.306 27.313 1.00 1.00 ? 11 A A C2 1
550
+ ATOM 156 N N3 . A A 1 7 ? 2.660 -4.474 26.682 1.00 1.00 ? 11 A A N3 1
551
+ ATOM 157 C C4 . A A 1 7 ? 1.419 -4.945 26.447 1.00 1.00 ? 11 A A C4 1
552
+ ATOM 158 P P . G A 1 8 ? 5.336 -9.912 27.619 1.00 1.00 ? 12 G A P 1
553
+ ATOM 159 O OP1 . G A 1 8 ? 6.519 -10.674 27.159 1.00 1.00 ? 12 G A OP1 1
554
+ ATOM 160 O OP2 . G A 1 8 ? 4.339 -10.563 28.499 1.00 1.00 ? 12 G A OP2 1
555
+ ATOM 161 O "O5'" . G A 1 8 ? 5.846 -8.571 28.351 1.00 1.00 ? 12 G A "O5'" 1
556
+ ATOM 162 C "C5'" . G A 1 8 ? 6.932 -7.809 27.816 1.00 1.00 ? 12 G A "C5'" 1
557
+ ATOM 163 C "C4'" . G A 1 8 ? 7.248 -6.590 28.679 1.00 1.00 ? 12 G A "C4'" 1
558
+ ATOM 164 O "O4'" . G A 1 8 ? 6.192 -5.603 28.599 1.00 1.00 ? 12 G A "O4'" 1
559
+ ATOM 165 C "C3'" . G A 1 8 ? 7.407 -6.979 30.150 1.00 1.00 ? 12 G A "C3'" 1
560
+ ATOM 166 O "O3'" . G A 1 8 ? 8.736 -6.673 30.610 1.00 1.00 ? 12 G A "O3'" 1
561
+ ATOM 167 C "C2'" . G A 1 8 ? 6.372 -6.165 30.890 1.00 1.00 ? 12 G A "C2'" 1
562
+ ATOM 168 O "O2'" . G A 1 8 ? 6.899 -5.591 32.081 1.00 1.00 ? 12 G A "O2'" 1
563
+ ATOM 169 C "C1'" . G A 1 8 ? 5.952 -5.087 29.917 1.00 1.00 ? 12 G A "C1'" 1
564
+ ATOM 170 N N9 . G A 1 8 ? 4.549 -4.678 30.133 1.00 1.00 ? 12 G A N9 1
565
+ ATOM 171 C C8 . G A 1 8 ? 3.471 -5.410 30.506 1.00 1.00 ? 12 G A C8 1
566
+ ATOM 172 N N7 . G A 1 8 ? 2.370 -4.775 30.743 1.00 1.00 ? 12 G A N7 1
567
+ ATOM 173 C C5 . G A 1 8 ? 2.747 -3.450 30.498 1.00 1.00 ? 12 G A C5 1
568
+ ATOM 174 C C6 . G A 1 8 ? 1.986 -2.252 30.587 1.00 1.00 ? 12 G A C6 1
569
+ ATOM 175 O O6 . G A 1 8 ? 0.817 -2.123 30.925 1.00 1.00 ? 12 G A O6 1
570
+ ATOM 176 N N1 . G A 1 8 ? 2.748 -1.136 30.251 1.00 1.00 ? 12 G A N1 1
571
+ ATOM 177 C C2 . G A 1 8 ? 4.069 -1.171 29.880 1.00 1.00 ? 12 G A C2 1
572
+ ATOM 178 N N2 . G A 1 8 ? 4.611 -0.004 29.572 1.00 1.00 ? 12 G A N2 1
573
+ ATOM 179 N N3 . G A 1 8 ? 4.794 -2.288 29.800 1.00 1.00 ? 12 G A N3 1
574
+ ATOM 180 C C4 . G A 1 8 ? 4.076 -3.386 30.120 1.00 1.00 ? 12 G A C4 1
575
+ ATOM 181 P P . U A 1 9 ? 9.244 -7.094 32.086 1.00 1.00 ? 13 U A P 1
576
+ ATOM 182 O OP1 . U A 1 9 ? 10.511 -7.844 31.937 1.00 1.00 ? 13 U A OP1 1
577
+ ATOM 183 O OP2 . U A 1 9 ? 8.112 -7.708 32.820 1.00 1.00 ? 13 U A OP2 1
578
+ ATOM 184 O "O5'" . U A 1 9 ? 9.583 -5.663 32.760 1.00 1.00 ? 13 U A "O5'" 1
579
+ ATOM 185 C "C5'" . U A 1 9 ? 8.759 -5.104 33.796 1.00 1.00 ? 13 U A "C5'" 1
580
+ ATOM 186 C "C4'" . U A 1 9 ? 8.590 -3.591 33.622 1.00 1.00 ? 13 U A "C4'" 1
581
+ ATOM 187 O "O4'" . U A 1 9 ? 7.501 -3.285 32.723 1.00 1.00 ? 13 U A "O4'" 1
582
+ ATOM 188 C "C3'" . U A 1 9 ? 8.290 -2.909 34.947 1.00 1.00 ? 13 U A "C3'" 1
583
+ ATOM 189 O "O3'" . U A 1 9 ? 9.465 -2.304 35.501 1.00 1.00 ? 13 U A "O3'" 1
584
+ ATOM 190 C "C2'" . U A 1 9 ? 7.235 -1.873 34.639 1.00 1.00 ? 13 U A "C2'" 1
585
+ ATOM 191 O "O2'" . U A 1 9 ? 7.808 -0.563 34.570 1.00 1.00 ? 13 U A "O2'" 1
586
+ ATOM 192 C "C1'" . U A 1 9 ? 6.644 -2.272 33.300 1.00 1.00 ? 13 U A "C1'" 1
587
+ ATOM 193 N N1 . U A 1 9 ? 5.254 -2.771 33.466 1.00 1.00 ? 13 U A N1 1
588
+ ATOM 194 C C2 . U A 1 9 ? 4.253 -1.830 33.663 1.00 1.00 ? 13 U A C2 1
589
+ ATOM 195 O O2 . U A 1 9 ? 4.485 -0.623 33.723 1.00 1.00 ? 13 U A O2 1
590
+ ATOM 196 N N3 . U A 1 9 ? 2.971 -2.330 33.794 1.00 1.00 ? 13 U A N3 1
591
+ ATOM 197 C C4 . U A 1 9 ? 2.605 -3.652 33.742 1.00 1.00 ? 13 U A C4 1
592
+ ATOM 198 O O4 . U A 1 9 ? 1.431 -3.967 33.824 1.00 1.00 ? 13 U A O4 1
593
+ ATOM 199 C C5 . U A 1 9 ? 3.695 -4.565 33.546 1.00 1.00 ? 13 U A C5 1
594
+ ATOM 200 C C6 . U A 1 9 ? 4.967 -4.112 33.413 1.00 1.00 ? 13 U A C6 1
595
+ ATOM 201 P P . G A 1 10 ? 9.757 -2.388 37.085 1.00 1.00 ? 14 G A P 1
596
+ ATOM 202 O OP1 . G A 1 10 ? 10.899 -1.499 37.393 1.00 1.00 ? 14 G A OP1 1
597
+ ATOM 203 O OP2 . G A 1 10 ? 9.811 -3.817 37.470 1.00 1.00 ? 14 G A OP2 1
598
+ ATOM 204 O "O5'" . G A 1 10 ? 8.424 -1.746 37.725 1.00 1.00 ? 14 G A "O5'" 1
599
+ ATOM 205 C "C5'" . G A 1 10 ? 8.207 -0.330 37.693 1.00 1.00 ? 14 G A "C5'" 1
600
+ ATOM 206 C "C4'" . G A 1 10 ? 6.815 0.044 38.197 1.00 1.00 ? 14 G A "C4'" 1
601
+ ATOM 207 O "O4'" . G A 1 10 ? 5.795 -0.344 37.254 1.00 1.00 ? 14 G A "O4'" 1
602
+ ATOM 208 C "C3'" . G A 1 10 ? 6.506 -0.641 39.517 1.00 1.00 ? 14 G A "C3'" 1
603
+ ATOM 209 O "O3'" . G A 1 10 ? 6.652 0.262 40.619 1.00 1.00 ? 14 G A "O3'" 1
604
+ ATOM 210 C "C2'" . G A 1 10 ? 5.086 -1.138 39.403 1.00 1.00 ? 14 G A "C2'" 1
605
+ ATOM 211 O "O2'" . G A 1 10 ? 4.212 -0.405 40.267 1.00 1.00 ? 14 G A "O2'" 1
606
+ ATOM 212 C "C1'" . G A 1 10 ? 4.685 -0.951 37.949 1.00 1.00 ? 14 G A "C1'" 1
607
+ ATOM 213 N N9 . G A 1 10 ? 4.324 -2.243 37.347 1.00 1.00 ? 14 G A N9 1
608
+ ATOM 214 C C8 . G A 1 10 ? 5.124 -3.191 36.831 1.00 1.00 ? 14 G A C8 1
609
+ ATOM 215 N N7 . G A 1 10 ? 4.580 -4.264 36.378 1.00 1.00 ? 14 G A N7 1
610
+ ATOM 216 C C5 . G A 1 10 ? 3.231 -4.011 36.611 1.00 1.00 ? 14 G A C5 1
611
+ ATOM 217 C C6 . G A 1 10 ? 2.100 -4.812 36.327 1.00 1.00 ? 14 G A C6 1
612
+ ATOM 218 O O6 . G A 1 10 ? 2.066 -5.924 35.809 1.00 1.00 ? 14 G A O6 1
613
+ ATOM 219 N N1 . G A 1 10 ? 0.927 -4.185 36.711 1.00 1.00 ? 14 G A N1 1
614
+ ATOM 220 C C2 . G A 1 10 ? 0.845 -2.940 37.307 1.00 1.00 ? 14 G A C2 1
615
+ ATOM 221 N N2 . G A 1 10 ? -0.376 -2.514 37.626 1.00 1.00 ? 14 G A N2 1
616
+ ATOM 222 N N3 . G A 1 10 ? 1.908 -2.179 37.579 1.00 1.00 ? 14 G A N3 1
617
+ ATOM 223 C C4 . G A 1 10 ? 3.063 -2.771 37.206 1.00 1.00 ? 14 G A C4 1
618
+ ATOM 224 P P . U A 1 11 ? 6.937 -0.302 42.101 1.00 1.00 ? 15 U A P 1
619
+ ATOM 225 O OP1 . U A 1 11 ? 7.358 0.831 42.954 1.00 1.00 ? 15 U A OP1 1
620
+ ATOM 226 O OP2 . U A 1 11 ? 7.802 -1.498 41.985 1.00 1.00 ? 15 U A OP2 1
621
+ ATOM 227 O "O5'" . U A 1 11 ? 5.476 -0.785 42.580 1.00 1.00 ? 15 U A "O5'" 1
622
+ ATOM 228 C "C5'" . U A 1 11 ? 4.995 -0.469 43.891 1.00 1.00 ? 15 U A "C5'" 1
623
+ ATOM 229 C "C4'" . U A 1 11 ? 3.468 -0.532 43.972 1.00 1.00 ? 15 U A "C4'" 1
624
+ ATOM 230 O "O4'" . U A 1 11 ? 2.886 -0.809 42.681 1.00 1.00 ? 15 U A "O4'" 1
625
+ ATOM 231 C "C3'" . U A 1 11 ? 3.012 -1.619 44.936 1.00 1.00 ? 15 U A "C3'" 1
626
+ ATOM 232 O "O3'" . U A 1 11 ? 2.444 -1.046 46.118 1.00 1.00 ? 15 U A "O3'" 1
627
+ ATOM 233 C "C2'" . U A 1 11 ? 1.992 -2.446 44.191 1.00 1.00 ? 15 U A "C2'" 1
628
+ ATOM 234 O "O2'" . U A 1 11 ? 0.721 -2.402 44.848 1.00 1.00 ? 15 U A "O2'" 1
629
+ ATOM 235 C "C1'" . U A 1 11 ? 1.896 -1.853 42.793 1.00 1.00 ? 15 U A "C1'" 1
630
+ ATOM 236 N N1 . U A 1 11 ? 2.098 -2.897 41.761 1.00 1.00 ? 15 U A N1 1
631
+ ATOM 237 C C2 . U A 1 11 ? 0.975 -3.565 41.302 1.00 1.00 ? 15 U A C2 1
632
+ ATOM 238 O O2 . U A 1 11 ? -0.155 -3.315 41.719 1.00 1.00 ? 15 U A O2 1
633
+ ATOM 239 N N3 . U A 1 11 ? 1.195 -4.538 40.345 1.00 1.00 ? 15 U A N3 1
634
+ ATOM 240 C C4 . U A 1 11 ? 2.420 -4.900 39.814 1.00 1.00 ? 15 U A C4 1
635
+ ATOM 241 O O4 . U A 1 11 ? 2.498 -5.794 38.975 1.00 1.00 ? 15 U A O4 1
636
+ ATOM 242 C C5 . U A 1 11 ? 3.537 -4.152 40.345 1.00 1.00 ? 15 U A C5 1
637
+ ATOM 243 C C6 . U A 1 11 ? 3.349 -3.193 41.285 1.00 1.00 ? 15 U A C6 1
638
+ ATOM 244 P P . A B 2 1 ? -6.692 -14.227 40.460 1.00 1.00 ? 27 A B P 1
639
+ ATOM 245 O OP1 . A B 2 1 ? -6.784 -15.559 41.121 1.00 1.00 ? 27 A B OP1 1
640
+ ATOM 246 O OP2 . A B 2 1 ? -5.512 -14.184 39.535 1.00 1.00 ? 27 A B OP2 1
641
+ ATOM 247 O "O5'" . A B 2 1 ? -6.444 -13.052 41.502 1.00 1.00 ? 27 A B "O5'" 1
642
+ ATOM 248 C "C5'" . A B 2 1 ? -6.330 -11.704 41.039 1.00 1.00 ? 27 A B "C5'" 1
643
+ ATOM 249 C "C4'" . A B 2 1 ? -6.095 -10.733 42.193 1.00 1.00 ? 27 A B "C4'" 1
644
+ ATOM 250 O "O4'" . A B 2 1 ? -4.782 -10.920 42.760 1.00 1.00 ? 27 A B "O4'" 1
645
+ ATOM 251 C "C3'" . A B 2 1 ? -6.201 -9.293 41.719 1.00 1.00 ? 27 A B "C3'" 1
646
+ ATOM 252 O "O3'" . A B 2 1 ? -7.406 -8.676 42.189 1.00 1.00 ? 27 A B "O3'" 1
647
+ ATOM 253 C "C2'" . A B 2 1 ? -4.981 -8.585 42.254 1.00 1.00 ? 27 A B "C2'" 1
648
+ ATOM 254 O "O2'" . A B 2 1 ? -5.331 -7.682 43.308 1.00 1.00 ? 27 A B "O2'" 1
649
+ ATOM 255 C "C1'" . A B 2 1 ? -4.052 -9.674 42.765 1.00 1.00 ? 27 A B "C1'" 1
650
+ ATOM 256 N N9 . A B 2 1 ? -2.850 -9.764 41.911 1.00 1.00 ? 27 A B N9 1
651
+ ATOM 257 C C8 . A B 2 1 ? -2.267 -10.849 41.342 1.00 1.00 ? 27 A B C8 1
652
+ ATOM 258 N N7 . A B 2 1 ? -1.224 -10.648 40.606 1.00 1.00 ? 27 A B N7 1
653
+ ATOM 259 C C5 . A B 2 1 ? -1.084 -9.258 40.687 1.00 1.00 ? 27 A B C5 1
654
+ ATOM 260 C C6 . A B 2 1 ? -0.163 -8.362 40.131 1.00 1.00 ? 27 A B C6 1
655
+ ATOM 261 N N6 . A B 2 1 ? 0.840 -8.744 39.341 1.00 1.00 ? 27 A B N6 1
656
+ ATOM 262 N N1 . A B 2 1 ? -0.318 -7.058 40.418 1.00 1.00 ? 27 A B N1 1
657
+ ATOM 263 C C2 . A B 2 1 ? -1.317 -6.653 41.203 1.00 1.00 ? 27 A B C2 1
658
+ ATOM 264 N N3 . A B 2 1 ? -2.243 -7.412 41.780 1.00 1.00 ? 27 A B N3 1
659
+ ATOM 265 C C4 . A B 2 1 ? -2.068 -8.714 41.479 1.00 1.00 ? 27 A B C4 1
660
+ ATOM 266 P P . C B 2 2 ? -8.006 -7.376 41.444 1.00 1.00 ? 28 C B P 1
661
+ ATOM 267 O OP1 . C B 2 2 ? -7.530 -6.172 42.162 1.00 1.00 ? 28 C B OP1 1
662
+ ATOM 268 O OP2 . C B 2 2 ? -9.456 -7.588 41.244 1.00 1.00 ? 28 C B OP2 1
663
+ ATOM 269 O "O5'" . C B 2 2 ? -7.286 -7.423 39.999 1.00 1.00 ? 28 C B "O5'" 1
664
+ ATOM 270 C "C5'" . C B 2 2 ? -5.998 -6.827 39.795 1.00 1.00 ? 28 C B "C5'" 1
665
+ ATOM 271 C "C4'" . C B 2 2 ? -6.035 -5.772 38.694 1.00 1.00 ? 28 C B "C4'" 1
666
+ ATOM 272 O "O4'" . C B 2 2 ? -4.712 -5.275 38.404 1.00 1.00 ? 28 C B "O4'" 1
667
+ ATOM 273 C "C3'" . C B 2 2 ? -6.602 -6.345 37.410 1.00 1.00 ? 28 C B "C3'" 1
668
+ ATOM 274 O "O3'" . C B 2 2 ? -7.981 -5.994 37.240 1.00 1.00 ? 28 C B "O3'" 1
669
+ ATOM 275 C "C2'" . C B 2 2 ? -5.755 -5.774 36.305 1.00 1.00 ? 28 C B "C2'" 1
670
+ ATOM 276 O "O2'" . C B 2 2 ? -6.450 -4.712 35.651 1.00 1.00 ? 28 C B "O2'" 1
671
+ ATOM 277 C "C1'" . C B 2 2 ? -4.490 -5.243 36.974 1.00 1.00 ? 28 C B "C1'" 1
672
+ ATOM 278 N N1 . C B 2 2 ? -3.249 -6.012 36.627 1.00 1.00 ? 28 C B N1 1
673
+ ATOM 279 C C2 . C B 2 2 ? -2.066 -5.555 37.204 1.00 1.00 ? 28 C B C2 1
674
+ ATOM 280 O O2 . C B 2 2 ? -2.072 -4.567 37.934 1.00 1.00 ? 28 C B O2 1
675
+ ATOM 281 N N3 . C B 2 2 ? -0.912 -6.217 36.932 1.00 1.00 ? 28 C B N3 1
676
+ ATOM 282 C C4 . C B 2 2 ? -0.898 -7.284 36.132 1.00 1.00 ? 28 C B C4 1
677
+ ATOM 283 N N4 . C B 2 2 ? 0.257 -7.905 35.902 1.00 1.00 ? 28 C B N4 1
678
+ ATOM 284 C C5 . C B 2 2 ? -2.097 -7.769 35.530 1.00 1.00 ? 28 C B C5 1
679
+ ATOM 285 C C6 . C B 2 2 ? -3.245 -7.115 35.797 1.00 1.00 ? 28 C B C6 1
680
+ ATOM 286 P P . G B 2 3 ? -8.868 -6.708 36.098 1.00 1.00 ? 29 G B P 1
681
+ ATOM 287 O OP1 . G B 2 3 ? -9.573 -5.655 35.333 1.00 1.00 ? 29 G B OP1 1
682
+ ATOM 288 O OP2 . G B 2 3 ? -9.639 -7.803 36.729 1.00 1.00 ? 29 G B OP2 1
683
+ ATOM 289 O "O5'" . G B 2 3 ? -7.744 -7.368 35.143 1.00 1.00 ? 29 G B "O5'" 1
684
+ ATOM 290 C "C5'" . G B 2 3 ? -7.866 -7.334 33.717 1.00 1.00 ? 29 G B "C5'" 1
685
+ ATOM 291 C "C4'" . G B 2 3 ? -7.567 -5.945 33.150 1.00 1.00 ? 29 G B "C4'" 1
686
+ ATOM 292 O "O4'" . G B 2 3 ? -6.182 -5.587 33.359 1.00 1.00 ? 29 G B "O4'" 1
687
+ ATOM 293 C "C3'" . G B 2 3 ? -7.828 -5.912 31.643 1.00 1.00 ? 29 G B "C3'" 1
688
+ ATOM 294 O "O3'" . G B 2 3 ? -8.593 -4.752 31.249 1.00 1.00 ? 29 G B "O3'" 1
689
+ ATOM 295 C "C2'" . G B 2 3 ? -6.458 -5.861 31.014 1.00 1.00 ? 29 G B "C2'" 1
690
+ ATOM 296 O "O2'" . G B 2 3 ? -6.451 -5.044 29.841 1.00 1.00 ? 29 G B "O2'" 1
691
+ ATOM 297 C "C1'" . G B 2 3 ? -5.565 -5.285 32.093 1.00 1.00 ? 29 G B "C1'" 1
692
+ ATOM 298 N N9 . G B 2 3 ? -4.188 -5.810 32.032 1.00 1.00 ? 29 G B N9 1
693
+ ATOM 299 C C8 . G B 2 3 ? -3.633 -6.744 31.220 1.00 1.00 ? 29 G B C8 1
694
+ ATOM 300 N N7 . G B 2 3 ? -2.364 -6.954 31.329 1.00 1.00 ? 29 G B N7 1
695
+ ATOM 301 C C5 . G B 2 3 ? -2.014 -6.054 32.341 1.00 1.00 ? 29 G B C5 1
696
+ ATOM 302 C C6 . G B 2 3 ? -0.747 -5.789 32.928 1.00 1.00 ? 29 G B C6 1
697
+ ATOM 303 O O6 . G B 2 3 ? 0.337 -6.306 32.668 1.00 1.00 ? 29 G B O6 1
698
+ ATOM 304 N N1 . G B 2 3 ? -0.838 -4.809 33.910 1.00 1.00 ? 29 G B N1 1
699
+ ATOM 305 C C2 . G B 2 3 ? -1.997 -4.171 34.288 1.00 1.00 ? 29 G B C2 1
700
+ ATOM 306 N N2 . G B 2 3 ? -1.887 -3.300 35.286 1.00 1.00 ? 29 G B N2 1
701
+ ATOM 307 N N3 . G B 2 3 ? -3.188 -4.411 33.739 1.00 1.00 ? 29 G B N3 1
702
+ ATOM 308 C C4 . G B 2 3 ? -3.126 -5.357 32.777 1.00 1.00 ? 29 G B C4 1
703
+ ATOM 309 P P . G B 2 4 ? -9.728 -4.094 32.196 1.00 1.00 ? 30 G B P 1
704
+ ATOM 310 O OP1 . G B 2 4 ? -10.608 -5.178 32.687 1.00 1.00 ? 30 G B OP1 1
705
+ ATOM 311 O OP2 . G B 2 4 ? -10.313 -2.936 31.484 1.00 1.00 ? 30 G B OP2 1
706
+ ATOM 312 O "O5'" . G B 2 4 ? -8.869 -3.535 33.444 1.00 1.00 ? 30 G B "O5'" 1
707
+ ATOM 313 C "C5'" . G B 2 4 ? -7.963 -2.435 33.288 1.00 1.00 ? 30 G B "C5'" 1
708
+ ATOM 314 C "C4'" . G B 2 4 ? -7.277 -2.088 34.612 1.00 1.00 ? 30 G B "C4'" 1
709
+ ATOM 315 O "O4'" . G B 2 4 ? -5.918 -2.567 34.631 1.00 1.00 ? 30 G B "O4'" 1
710
+ ATOM 316 C "C3'" . G B 2 4 ? -7.248 -0.585 34.846 1.00 1.00 ? 30 G B "C3'" 1
711
+ ATOM 317 O "O3'" . G B 2 4 ? -8.125 -0.223 35.918 1.00 1.00 ? 30 G B "O3'" 1
712
+ ATOM 318 C "C2'" . G B 2 4 ? -5.814 -0.231 35.171 1.00 1.00 ? 30 G B "C2'" 1
713
+ ATOM 319 O "O2'" . G B 2 4 ? -5.699 0.307 36.493 1.00 1.00 ? 30 G B "O2'" 1
714
+ ATOM 320 C "C1'" . G B 2 4 ? -5.016 -1.520 35.052 1.00 1.00 ? 30 G B "C1'" 1
715
+ ATOM 321 N N9 . G B 2 4 ? -3.908 -1.370 34.088 1.00 1.00 ? 30 G B N9 1
716
+ ATOM 322 C C8 . G B 2 4 ? -2.619 -0.982 34.286 1.00 1.00 ? 30 G B C8 1
717
+ ATOM 323 N N7 . G B 2 4 ? -1.854 -0.924 33.256 1.00 1.00 ? 30 G B N7 1
718
+ ATOM 324 C C5 . G B 2 4 ? -2.713 -1.325 32.233 1.00 1.00 ? 30 G B C5 1
719
+ ATOM 325 C C6 . G B 2 4 ? -2.461 -1.475 30.848 1.00 1.00 ? 30 G B C6 1
720
+ ATOM 326 O O6 . G B 2 4 ? -1.426 -1.241 30.234 1.00 1.00 ? 30 G B O6 1
721
+ ATOM 327 N N1 . G B 2 4 ? -3.586 -1.912 30.170 1.00 1.00 ? 30 G B N1 1
722
+ ATOM 328 C C2 . G B 2 4 ? -4.812 -2.163 30.747 1.00 1.00 ? 30 G B C2 1
723
+ ATOM 329 N N2 . G B 2 4 ? -5.774 -2.577 29.927 1.00 1.00 ? 30 G B N2 1
724
+ ATOM 330 N N3 . G B 2 4 ? -5.060 -2.019 32.051 1.00 1.00 ? 30 G B N3 1
725
+ ATOM 331 C C4 . G B 2 4 ? -3.972 -1.602 32.733 1.00 1.00 ? 30 G B C4 1
726
+ ATOM 332 P P . U B 2 5 ? -9.613 0.313 35.615 1.00 1.00 ? 31 U B P 1
727
+ ATOM 333 O OP1 . U B 2 5 ? -10.552 -0.413 36.497 1.00 1.00 ? 31 U B OP1 1
728
+ ATOM 334 O OP2 . U B 2 5 ? -9.824 0.306 34.149 1.00 1.00 ? 31 U B OP2 1
729
+ ATOM 335 O "O5'" . U B 2 5 ? -9.541 1.846 36.109 1.00 1.00 ? 31 U B "O5'" 1
730
+ ATOM 336 C "C5'" . U B 2 5 ? -8.430 2.677 35.753 1.00 1.00 ? 31 U B "C5'" 1
731
+ ATOM 337 C "C4'" . U B 2 5 ? -7.739 3.251 36.989 1.00 1.00 ? 31 U B "C4'" 1
732
+ ATOM 338 O "O4'" . U B 2 5 ? -6.552 2.499 37.298 1.00 1.00 ? 31 U B "O4'" 1
733
+ ATOM 339 C "C3'" . U B 2 5 ? -7.338 4.701 36.774 1.00 1.00 ? 31 U B "C3'" 1
734
+ ATOM 340 O "O3'" . U B 2 5 ? -8.129 5.572 37.596 1.00 1.00 ? 31 U B "O3'" 1
735
+ ATOM 341 C "C2'" . U B 2 5 ? -5.874 4.792 37.131 1.00 1.00 ? 31 U B "C2'" 1
736
+ ATOM 342 O "O2'" . U B 2 5 ? -5.679 5.695 38.220 1.00 1.00 ? 31 U B "O2'" 1
737
+ ATOM 343 C "C1'" . U B 2 5 ? -5.436 3.384 37.515 1.00 1.00 ? 31 U B "C1'" 1
738
+ ATOM 344 N N1 . U B 2 5 ? -4.253 2.939 36.741 1.00 1.00 ? 31 U B N1 1
739
+ ATOM 345 C C2 . U B 2 5 ? -3.227 2.330 37.444 1.00 1.00 ? 31 U B C2 1
740
+ ATOM 346 O O2 . U B 2 5 ? -3.265 2.183 38.663 1.00 1.00 ? 31 U B O2 1
741
+ ATOM 347 N N3 . U B 2 5 ? -2.150 1.899 36.696 1.00 1.00 ? 31 U B N3 1
742
+ ATOM 348 C C4 . U B 2 5 ? -2.007 2.023 35.329 1.00 1.00 ? 31 U B C4 1
743
+ ATOM 349 O O4 . U B 2 5 ? -1.018 1.577 34.765 1.00 1.00 ? 31 U B O4 1
744
+ ATOM 350 C C5 . U B 2 5 ? -3.115 2.675 34.676 1.00 1.00 ? 31 U B C5 1
745
+ ATOM 351 C C6 . U B 2 5 ? -4.183 3.107 35.386 1.00 1.00 ? 31 U B C6 1
746
+ ATOM 352 P P . U B 2 6 ? -8.416 7.090 37.140 1.00 1.00 ? 32 U B P 1
747
+ ATOM 353 O OP1 . U B 2 6 ? -9.276 7.727 38.161 1.00 1.00 ? 32 U B OP1 1
748
+ ATOM 354 O OP2 . U B 2 6 ? -8.843 7.076 35.722 1.00 1.00 ? 32 U B OP2 1
749
+ ATOM 355 O "O5'" . U B 2 6 ? -6.955 7.763 37.222 1.00 1.00 ? 32 U B "O5'" 1
750
+ ATOM 356 C "C5'" . U B 2 6 ? -6.572 8.794 36.308 1.00 1.00 ? 32 U B "C5'" 1
751
+ ATOM 357 C "C4'" . U B 2 6 ? -5.605 9.791 36.948 1.00 1.00 ? 32 U B "C4'" 1
752
+ ATOM 358 O "O4'" . U B 2 6 ? -5.195 9.352 38.260 1.00 1.00 ? 32 U B "O4'" 1
753
+ ATOM 359 C "C3'" . U B 2 6 ? -4.356 9.975 36.101 1.00 1.00 ? 32 U B "C3'" 1
754
+ ATOM 360 O "O3'" . U B 2 6 ? -4.318 11.294 35.535 1.00 1.00 ? 32 U B "O3'" 1
755
+ ATOM 361 C "C2'" . U B 2 6 ? -3.182 9.753 37.032 1.00 1.00 ? 32 U B "C2'" 1
756
+ ATOM 362 O "O2'" . U B 2 6 ? -2.329 10.894 37.045 1.00 1.00 ? 32 U B "O2'" 1
757
+ ATOM 363 C "C1'" . U B 2 6 ? -3.768 9.496 38.404 1.00 1.00 ? 32 U B "C1'" 1
758
+ ATOM 364 N N1 . U B 2 6 ? -3.166 8.299 39.026 1.00 1.00 ? 32 U B N1 1
759
+ ATOM 365 C C2 . U B 2 6 ? -2.192 8.498 39.991 1.00 1.00 ? 32 U B C2 1
760
+ ATOM 366 O O2 . U B 2 6 ? -1.808 9.620 40.318 1.00 1.00 ? 32 U B O2 1
761
+ ATOM 367 N N3 . U B 2 6 ? -1.668 7.356 40.568 1.00 1.00 ? 32 U B N3 1
762
+ ATOM 368 C C4 . U B 2 6 ? -2.027 6.053 40.269 1.00 1.00 ? 32 U B C4 1
763
+ ATOM 369 O O4 . U B 2 6 ? -1.497 5.111 40.851 1.00 1.00 ? 32 U B O4 1
764
+ ATOM 370 C C5 . U B 2 6 ? -3.046 5.942 39.250 1.00 1.00 ? 32 U B C5 1
765
+ ATOM 371 C C6 . U B 2 6 ? -3.574 7.048 38.672 1.00 1.00 ? 32 U B C6 1
766
+ ATOM 372 P P . A B 2 7 ? -3.998 11.517 33.970 1.00 1.00 ? 33 A B P 1
767
+ ATOM 373 O OP1 . A B 2 7 ? -3.380 12.854 33.810 1.00 1.00 ? 33 A B OP1 1
768
+ ATOM 374 O OP2 . A B 2 7 ? -5.208 11.166 33.192 1.00 1.00 ? 33 A B OP2 1
769
+ ATOM 375 O "O5'" . A B 2 7 ? -2.872 10.404 33.673 1.00 1.00 ? 33 A B "O5'" 1
770
+ ATOM 376 C "C5'" . A B 2 7 ? -1.511 10.619 34.067 1.00 1.00 ? 33 A B "C5'" 1
771
+ ATOM 377 C "C4'" . A B 2 7 ? -0.579 9.581 33.459 1.00 1.00 ? 33 A B "C4'" 1
772
+ ATOM 378 O "O4'" . A B 2 7 ? -0.608 8.350 34.220 1.00 1.00 ? 33 A B "O4'" 1
773
+ ATOM 379 C "C3'" . A B 2 7 ? -0.989 9.252 32.035 1.00 1.00 ? 33 A B "C3'" 1
774
+ ATOM 380 O "O3'" . A B 2 7 ? -0.150 9.907 31.077 1.00 1.00 ? 33 A B "O3'" 1
775
+ ATOM 381 C "C2'" . A B 2 7 ? -0.885 7.759 31.932 1.00 1.00 ? 33 A B "C2'" 1
776
+ ATOM 382 O "O2'" . A B 2 7 ? 0.357 7.379 31.338 1.00 1.00 ? 33 A B "O2'" 1
777
+ ATOM 383 C "C1'" . A B 2 7 ? -0.970 7.248 33.356 1.00 1.00 ? 33 A B "C1'" 1
778
+ ATOM 384 N N9 . A B 2 7 ? -2.346 6.790 33.638 1.00 1.00 ? 33 A B N9 1
779
+ ATOM 385 C C8 . A B 2 7 ? -3.248 7.252 34.539 1.00 1.00 ? 33 A B C8 1
780
+ ATOM 386 N N7 . A B 2 7 ? -4.429 6.731 34.524 1.00 1.00 ? 33 A B N7 1
781
+ ATOM 387 C C5 . A B 2 7 ? -4.312 5.800 33.487 1.00 1.00 ? 33 A B C5 1
782
+ ATOM 388 C C6 . A B 2 7 ? -5.212 4.888 32.925 1.00 1.00 ? 33 A B C6 1
783
+ ATOM 389 N N6 . A B 2 7 ? -6.469 4.750 33.344 1.00 1.00 ? 33 A B N6 1
784
+ ATOM 390 N N1 . A B 2 7 ? -4.766 4.121 31.913 1.00 1.00 ? 33 A B N1 1
785
+ ATOM 391 C C2 . A B 2 7 ? -3.510 4.243 31.477 1.00 1.00 ? 33 A B C2 1
786
+ ATOM 392 N N3 . A B 2 7 ? -2.580 5.067 31.933 1.00 1.00 ? 33 A B N3 1
787
+ ATOM 393 C C4 . A B 2 7 ? -3.048 5.826 32.946 1.00 1.00 ? 33 A B C4 1
788
+ ATOM 394 P P . G B 2 8 ? -0.682 11.206 30.280 1.00 1.00 ? 34 G B P 1
789
+ ATOM 395 O OP1 . G B 2 8 ? 0.456 12.137 30.115 1.00 1.00 ? 34 G B OP1 1
790
+ ATOM 396 O OP2 . G B 2 8 ? -1.924 11.675 30.934 1.00 1.00 ? 34 G B OP2 1
791
+ ATOM 397 O "O5'" . G B 2 8 ? -1.073 10.629 28.818 1.00 1.00 ? 34 G B "O5'" 1
792
+ ATOM 398 C "C5'" . G B 2 8 ? -1.060 9.224 28.528 1.00 1.00 ? 34 G B "C5'" 1
793
+ ATOM 399 C "C4'" . G B 2 8 ? 0.332 8.631 28.708 1.00 1.00 ? 34 G B "C4'" 1
794
+ ATOM 400 O "O4'" . G B 2 8 ? 0.272 7.207 28.863 1.00 1.00 ? 34 G B "O4'" 1
795
+ ATOM 401 C "C3'" . G B 2 8 ? 1.231 8.946 27.530 1.00 1.00 ? 34 G B "C3'" 1
796
+ ATOM 402 O "O3'" . G B 2 8 ? 2.093 10.050 27.906 1.00 1.00 ? 34 G B "O3'" 1
797
+ ATOM 403 C "C2'" . G B 2 8 ? 1.930 7.625 27.188 1.00 1.00 ? 34 G B "C2'" 1
798
+ ATOM 404 O "O2'" . G B 2 8 ? 3.321 7.616 27.490 1.00 1.00 ? 34 G B "O2'" 1
799
+ ATOM 405 C "C1'" . G B 2 8 ? 1.238 6.555 28.018 1.00 1.00 ? 34 G B "C1'" 1
800
+ ATOM 406 N N9 . G B 2 8 ? 0.565 5.555 27.159 1.00 1.00 ? 34 G B N9 1
801
+ ATOM 407 C C8 . G B 2 8 ? -0.682 5.029 27.269 1.00 1.00 ? 34 G B C8 1
802
+ ATOM 408 N N7 . G B 2 8 ? -1.053 4.172 26.388 1.00 1.00 ? 34 G B N7 1
803
+ ATOM 409 C C5 . G B 2 8 ? 0.076 4.092 25.577 1.00 1.00 ? 34 G B C5 1
804
+ ATOM 410 C C6 . G B 2 8 ? 0.298 3.301 24.430 1.00 1.00 ? 34 G B C6 1
805
+ ATOM 411 O O6 . G B 2 8 ? -0.477 2.522 23.887 1.00 1.00 ? 34 G B O6 1
806
+ ATOM 412 N N1 . G B 2 8 ? 1.569 3.498 23.912 1.00 1.00 ? 34 G B N1 1
807
+ ATOM 413 C C2 . G B 2 8 ? 2.514 4.363 24.430 1.00 1.00 ? 34 G B C2 1
808
+ ATOM 414 N N2 . G B 2 8 ? 3.680 4.417 23.786 1.00 1.00 ? 34 G B N2 1
809
+ ATOM 415 N N3 . G B 2 8 ? 2.310 5.120 25.515 1.00 1.00 ? 34 G B N3 1
810
+ ATOM 416 C C4 . G B 2 8 ? 1.077 4.935 26.039 1.00 1.00 ? 34 G B C4 1
811
+ ATOM 417 P P . G B 2 9 ? 3.640 10.219 27.491 1.00 1.00 ? 35 G B P 1
812
+ ATOM 418 O OP1 . G B 2 9 ? 3.981 11.657 27.584 1.00 1.00 ? 35 G B OP1 1
813
+ ATOM 419 O OP2 . G B 2 9 ? 3.886 9.493 26.223 1.00 1.00 ? 35 G B OP2 1
814
+ ATOM 420 O "O5'" . G B 2 9 ? 4.389 9.451 28.699 1.00 1.00 ? 35 G B "O5'" 1
815
+ ATOM 421 C "C5'" . G B 2 9 ? 3.643 8.854 29.780 1.00 1.00 ? 35 G B "C5'" 1
816
+ ATOM 422 C "C4'" . G B 2 9 ? 4.430 7.724 30.432 1.00 1.00 ? 35 G B "C4'" 1
817
+ ATOM 423 O "O4'" . G B 2 9 ? 3.582 6.688 30.983 1.00 1.00 ? 35 G B "O4'" 1
818
+ ATOM 424 C "C3'" . G B 2 9 ? 5.322 7.043 29.416 1.00 1.00 ? 35 G B "C3'" 1
819
+ ATOM 425 O "O3'" . G B 2 9 ? 6.627 7.626 29.381 1.00 1.00 ? 35 G B "O3'" 1
820
+ ATOM 426 C "C2'" . G B 2 9 ? 5.364 5.594 29.827 1.00 1.00 ? 35 G B "C2'" 1
821
+ ATOM 427 O "O2'" . G B 2 9 ? 6.661 5.233 30.316 1.00 1.00 ? 35 G B "O2'" 1
822
+ ATOM 428 C "C1'" . G B 2 9 ? 4.315 5.446 30.910 1.00 1.00 ? 35 G B "C1'" 1
823
+ ATOM 429 N N9 . G B 2 9 ? 3.489 4.266 30.651 1.00 1.00 ? 35 G B N9 1
824
+ ATOM 430 C C8 . G B 2 9 ? 3.912 3.003 30.559 1.00 1.00 ? 35 G B C8 1
825
+ ATOM 431 N N7 . G B 2 9 ? 3.062 2.095 30.303 1.00 1.00 ? 35 G B N7 1
826
+ ATOM 432 C C5 . G B 2 9 ? 1.900 2.825 30.208 1.00 1.00 ? 35 G B C5 1
827
+ ATOM 433 C C6 . G B 2 9 ? 0.611 2.370 29.936 1.00 1.00 ? 35 G B C6 1
828
+ ATOM 434 O O6 . G B 2 9 ? 0.265 1.218 29.694 1.00 1.00 ? 35 G B O6 1
829
+ ATOM 435 N N1 . G B 2 9 ? -0.296 3.412 29.935 1.00 1.00 ? 35 G B N1 1
830
+ ATOM 436 C C2 . G B 2 9 ? 0.011 4.730 30.170 1.00 1.00 ? 35 G B C2 1
831
+ ATOM 437 N N2 . G B 2 9 ? -1.012 5.572 30.147 1.00 1.00 ? 35 G B N2 1
832
+ ATOM 438 N N3 . G B 2 9 ? 1.246 5.176 30.421 1.00 1.00 ? 35 G B N3 1
833
+ ATOM 439 C C4 . G B 2 9 ? 2.139 4.171 30.427 1.00 1.00 ? 35 G B C4 1
834
+ ATOM 440 P P . U B 2 10 ? 7.426 7.705 27.986 1.00 1.00 ? 36 U B P 1
835
+ ATOM 441 O OP1 . U B 2 10 ? 8.776 8.250 28.253 1.00 1.00 ? 36 U B OP1 1
836
+ ATOM 442 O OP2 . U B 2 10 ? 6.552 8.355 26.984 1.00 1.00 ? 36 U B OP2 1
837
+ ATOM 443 O "O5'" . U B 2 10 ? 7.581 6.149 27.594 1.00 1.00 ? 36 U B "O5'" 1
838
+ ATOM 444 C "C5'" . U B 2 10 ? 6.527 5.444 26.927 1.00 1.00 ? 36 U B "C5'" 1
839
+ ATOM 445 C "C4'" . U B 2 10 ? 6.722 3.933 27.031 1.00 1.00 ? 36 U B "C4'" 1
840
+ ATOM 446 O "O4'" . U B 2 10 ? 5.781 3.295 27.922 1.00 1.00 ? 36 U B "O4'" 1
841
+ ATOM 447 C "C3'" . U B 2 10 ? 6.504 3.285 25.695 1.00 1.00 ? 36 U B "C3'" 1
842
+ ATOM 448 O "O3'" . U B 2 10 ? 7.659 3.352 24.854 1.00 1.00 ? 36 U B "O3'" 1
843
+ ATOM 449 C "C2'" . U B 2 10 ? 6.152 1.872 26.039 1.00 1.00 ? 36 U B "C2'" 1
844
+ ATOM 450 O "O2'" . U B 2 10 ? 7.314 1.037 26.068 1.00 1.00 ? 36 U B "O2'" 1
845
+ ATOM 451 C "C1'" . U B 2 10 ? 5.513 1.959 27.412 1.00 1.00 ? 36 U B "C1'" 1
846
+ ATOM 452 N N1 . U B 2 10 ? 4.065 1.665 27.288 1.00 1.00 ? 36 U B N1 1
847
+ ATOM 453 C C2 . U B 2 10 ? 3.708 0.366 26.951 1.00 1.00 ? 36 U B C2 1
848
+ ATOM 454 O O2 . U B 2 10 ? 4.538 -0.530 26.807 1.00 1.00 ? 36 U B O2 1
849
+ ATOM 455 N N3 . U B 2 10 ? 2.355 0.132 26.793 1.00 1.00 ? 36 U B N3 1
850
+ ATOM 456 C C4 . U B 2 10 ? 1.345 1.060 26.958 1.00 1.00 ? 36 U B C4 1
851
+ ATOM 457 O O4 . U B 2 10 ? 0.170 0.764 26.767 1.00 1.00 ? 36 U B O4 1
852
+ ATOM 458 C C5 . U B 2 10 ? 1.812 2.366 27.318 1.00 1.00 ? 36 U B C5 1
853
+ ATOM 459 C C6 . U B 2 10 ? 3.115 2.633 27.458 1.00 1.00 ? 36 U B C6 1
854
+ ATOM 460 P P . C B 2 11 ? 7.505 3.201 23.257 1.00 1.00 ? 37 C B P 1
855
+ ATOM 461 O OP1 . C B 2 11 ? 8.849 3.306 22.648 1.00 1.00 ? 37 C B OP1 1
856
+ ATOM 462 O OP2 . C B 2 11 ? 6.419 4.102 22.809 1.00 1.00 ? 37 C B OP2 1
857
+ ATOM 463 O "O5'" . C B 2 11 ? 6.995 1.679 23.099 1.00 1.00 ? 37 C B "O5'" 1
858
+ ATOM 464 C "C5'" . C B 2 11 ? 7.903 0.595 23.296 1.00 1.00 ? 37 C B "C5'" 1
859
+ ATOM 465 C "C4'" . C B 2 11 ? 7.190 -0.754 23.383 1.00 1.00 ? 37 C B "C4'" 1
860
+ ATOM 466 O "O4'" . C B 2 11 ? 5.979 -0.683 24.165 1.00 1.00 ? 37 C B "O4'" 1
861
+ ATOM 467 C "C3'" . C B 2 11 ? 6.792 -1.267 22.010 1.00 1.00 ? 37 C B "C3'" 1
862
+ ATOM 468 O "O3'" . C B 2 11 ? 7.781 -2.155 21.475 1.00 1.00 ? 37 C B "O3'" 1
863
+ ATOM 469 C "C2'" . C B 2 11 ? 5.474 -1.975 22.217 1.00 1.00 ? 37 C B "C2'" 1
864
+ ATOM 470 O "O2'" . C B 2 11 ? 5.621 -3.390 22.064 1.00 1.00 ? 37 C B "O2'" 1
865
+ ATOM 471 C "C1'" . C B 2 11 ? 5.036 -1.638 23.633 1.00 1.00 ? 37 C B "C1'" 1
866
+ ATOM 472 N N1 . C B 2 11 ? 3.645 -1.138 23.654 1.00 1.00 ? 37 C B N1 1
867
+ ATOM 473 C C2 . C B 2 11 ? 2.651 -2.023 23.253 1.00 1.00 ? 37 C B C2 1
868
+ ATOM 474 O O2 . C B 2 11 ? 2.947 -3.145 22.836 1.00 1.00 ? 37 C B O2 1
869
+ ATOM 475 N N3 . C B 2 11 ? 1.360 -1.618 23.342 1.00 1.00 ? 37 C B N3 1
870
+ ATOM 476 C C4 . C B 2 11 ? 1.048 -0.402 23.803 1.00 1.00 ? 37 C B C4 1
871
+ ATOM 477 N N4 . C B 2 11 ? -0.234 -0.055 23.907 1.00 1.00 ? 37 C B N4 1
872
+ ATOM 478 C C5 . C B 2 11 ? 2.069 0.513 24.210 1.00 1.00 ? 37 C B C5 1
873
+ ATOM 479 C C6 . C B 2 11 ? 3.341 0.109 24.114 1.00 1.00 ? 37 C B C6 1
874
+ ATOM 480 P P . G B 2 12 ? 7.951 -2.317 19.880 1.00 1.00 ? 38 G B P 1
875
+ ATOM 481 O OP1 . G B 2 12 ? 8.853 -3.462 19.623 1.00 1.00 ? 38 G B OP1 1
876
+ ATOM 482 O OP2 . G B 2 12 ? 8.270 -0.988 19.311 1.00 1.00 ? 38 G B OP2 1
877
+ ATOM 483 O "O5'" . G B 2 12 ? 6.463 -2.722 19.406 1.00 1.00 ? 38 G B "O5'" 1
878
+ ATOM 484 C "C5'" . G B 2 12 ? 5.985 -4.063 19.558 1.00 1.00 ? 38 G B "C5'" 1
879
+ ATOM 485 C "C4'" . G B 2 12 ? 4.528 -4.203 19.117 1.00 1.00 ? 38 G B "C4'" 1
880
+ ATOM 486 O "O4'" . G B 2 12 ? 3.622 -3.531 20.022 1.00 1.00 ? 38 G B "O4'" 1
881
+ ATOM 487 C "C3'" . G B 2 12 ? 4.320 -3.615 17.729 1.00 1.00 ? 38 G B "C3'" 1
882
+ ATOM 488 O "O3'" . G B 2 12 ? 4.053 -4.664 16.784 1.00 1.00 ? 38 G B "O3'" 1
883
+ ATOM 489 C "C2'" . G B 2 12 ? 3.155 -2.658 17.857 1.00 1.00 ? 38 G B "C2'" 1
884
+ ATOM 490 O "O2'" . G B 2 12 ? 2.147 -2.927 16.892 1.00 1.00 ? 38 G B "O2'" 1
885
+ ATOM 491 C "C1'" . G B 2 12 ? 2.610 -2.848 19.255 1.00 1.00 ? 38 G B "C1'" 1
886
+ ATOM 492 N N9 . G B 2 12 ? 2.226 -1.560 19.854 1.00 1.00 ? 38 G B N9 1
887
+ ATOM 493 C C8 . G B 2 12 ? 2.963 -0.455 20.115 1.00 1.00 ? 38 G B C8 1
888
+ ATOM 494 N N7 . G B 2 12 ? 2.341 0.585 20.565 1.00 1.00 ? 38 G B N7 1
889
+ ATOM 495 C C5 . G B 2 12 ? 1.020 0.123 20.618 1.00 1.00 ? 38 G B C5 1
890
+ ATOM 496 C C6 . G B 2 12 ? -0.169 0.788 21.026 1.00 1.00 ? 38 G B C6 1
891
+ ATOM 497 O O6 . G B 2 12 ? -0.299 1.951 21.411 1.00 1.00 ? 38 G B O6 1
892
+ ATOM 498 N N1 . G B 2 12 ? -1.278 -0.049 20.921 1.00 1.00 ? 38 G B N1 1
893
+ ATOM 499 C C2 . G B 2 12 ? -1.250 -1.351 20.485 1.00 1.00 ? 38 G B C2 1
894
+ ATOM 500 N N2 . G B 2 12 ? -2.416 -1.988 20.476 1.00 1.00 ? 38 G B N2 1
895
+ ATOM 501 N N3 . G B 2 12 ? -0.142 -1.979 20.098 1.00 1.00 ? 38 G B N3 1
896
+ ATOM 502 C C4 . G B 2 12 ? 0.949 -1.190 20.188 1.00 1.00 ? 38 G B C4 1
897
+ ATOM 503 P P . C B 2 13 ? 4.078 -4.399 15.192 1.00 1.00 ? 39 C B P 1
898
+ ATOM 504 O OP1 . C B 2 13 ? 4.423 -5.670 14.518 1.00 1.00 ? 39 C B OP1 1
899
+ ATOM 505 O OP2 . C B 2 13 ? 4.882 -3.184 14.932 1.00 1.00 ? 39 C B OP2 1
900
+ ATOM 506 O "O5'" . C B 2 13 ? 2.538 -4.062 14.869 1.00 1.00 ? 39 C B "O5'" 1
901
+ ATOM 507 C "C5'" . C B 2 13 ? 1.488 -4.929 15.320 1.00 1.00 ? 39 C B "C5'" 1
902
+ ATOM 508 C "C4'" . C B 2 13 ? 0.112 -4.278 15.176 1.00 1.00 ? 39 C B "C4'" 1
903
+ ATOM 509 O "O4'" . C B 2 13 ? -0.261 -3.514 16.350 1.00 1.00 ? 39 C B "O4'" 1
904
+ ATOM 510 C "C3'" . C B 2 13 ? 0.086 -3.320 14.003 1.00 1.00 ? 39 C B "C3'" 1
905
+ ATOM 511 O "O3'" . C B 2 13 ? -0.443 -3.935 12.819 1.00 1.00 ? 39 C B "O3'" 1
906
+ ATOM 512 C "C2'" . C B 2 13 ? -0.772 -2.169 14.449 1.00 1.00 ? 39 C B "C2'" 1
907
+ ATOM 513 O "O2'" . C B 2 13 ? -2.007 -2.181 13.767 1.00 1.00 ? 39 C B "O2'" 1
908
+ ATOM 514 C "C1'" . C B 2 13 ? -0.996 -2.337 15.935 1.00 1.00 ? 39 C B "C1'" 1
909
+ ATOM 515 N N1 . C B 2 13 ? -0.564 -1.112 16.638 1.00 1.00 ? 39 C B N1 1
910
+ ATOM 516 C C2 . C B 2 13 ? -1.543 -0.326 17.229 1.00 1.00 ? 39 C B C2 1
911
+ ATOM 517 O O2 . C B 2 13 ? -2.723 -0.670 17.183 1.00 1.00 ? 39 C B O2 1
912
+ ATOM 518 N N3 . C B 2 13 ? -1.161 0.829 17.840 1.00 1.00 ? 39 C B N3 1
913
+ ATOM 519 C C4 . C B 2 13 ? 0.127 1.193 17.873 1.00 1.00 ? 39 C B C4 1
914
+ ATOM 520 N N4 . C B 2 13 ? 0.469 2.341 18.459 1.00 1.00 ? 39 C B N4 1
915
+ ATOM 521 C C5 . C B 2 13 ? 1.135 0.377 17.269 1.00 1.00 ? 39 C B C5 1
916
+ ATOM 522 C C6 . C B 2 13 ? 0.742 -0.754 16.662 1.00 1.00 ? 39 C B C6 1
917
+ ATOM 523 P P . U B 2 14 ? -0.178 -3.275 11.368 1.00 1.00 ? 40 U B P 1
918
+ ATOM 524 O OP1 . U B 2 14 ? -0.392 -4.318 10.340 1.00 1.00 ? 40 U B OP1 1
919
+ ATOM 525 O OP2 . U B 2 14 ? 1.110 -2.546 11.417 1.00 1.00 ? 40 U B OP2 1
920
+ ATOM 526 O "O5'" . U B 2 14 ? -1.364 -2.186 11.240 1.00 1.00 ? 40 U B "O5'" 1
921
+ ATOM 527 C "C5'" . U B 2 14 ? -2.653 -2.563 10.743 1.00 1.00 ? 40 U B "C5'" 1
922
+ ATOM 528 C "C4'" . U B 2 14 ? -3.741 -1.568 11.155 1.00 1.00 ? 40 U B "C4'" 1
923
+ ATOM 529 O "O4'" . U B 2 14 ? -3.494 -1.052 12.476 1.00 1.00 ? 40 U B "O4'" 1
924
+ ATOM 530 C "C3'" . U B 2 14 ? -3.810 -0.383 10.207 1.00 1.00 ? 40 U B "C3'" 1
925
+ ATOM 531 O "O3'" . U B 2 14 ? -4.931 -0.500 9.323 1.00 1.00 ? 40 U B "O3'" 1
926
+ ATOM 532 C "C2'" . U B 2 14 ? -3.935 0.844 11.082 1.00 1.00 ? 40 U B "C2'" 1
927
+ ATOM 533 O "O2'" . U B 2 14 ? -5.222 1.452 10.932 1.00 1.00 ? 40 U B "O2'" 1
928
+ ATOM 534 C "C1'" . U B 2 14 ? -3.727 0.367 12.513 1.00 1.00 ? 40 U B "C1'" 1
929
+ ATOM 535 N N1 . U B 2 14 ? -2.603 1.098 13.146 1.00 1.00 ? 40 U B N1 1
930
+ ATOM 536 C C2 . U B 2 14 ? -2.915 2.248 13.855 1.00 1.00 ? 40 U B C2 1
931
+ ATOM 537 O O2 . U B 2 14 ? -4.067 2.667 13.952 1.00 1.00 ? 40 U B O2 1
932
+ ATOM 538 N N3 . U B 2 14 ? -1.853 2.908 14.444 1.00 1.00 ? 40 U B N3 1
933
+ ATOM 539 C C4 . U B 2 14 ? -0.524 2.527 14.389 1.00 1.00 ? 40 U B C4 1
934
+ ATOM 540 O O4 . U B 2 14 ? 0.339 3.185 14.964 1.00 1.00 ? 40 U B O4 1
935
+ ATOM 541 C C5 . U B 2 14 ? -0.287 1.321 13.628 1.00 1.00 ? 40 U B C5 1
936
+ ATOM 542 C C6 . U B 2 14 ? -1.311 0.655 13.039 1.00 1.00 ? 40 U B C6 1
937
+ HETATM 543 C C . CIR C 3 . ? 1.787 4.103 36.211 1.00 1.00 ? 1 CIR B C 1
938
+ HETATM 544 O O . CIR C 3 . ? 1.108 3.115 36.448 1.00 1.00 ? 1 CIR B O 1
939
+ HETATM 545 O OXT . CIR C 3 . ? 2.914 4.278 36.657 1.00 1.00 ? 1 CIR B OXT 1
940
+ HETATM 546 C CA . CIR C 3 . ? 1.187 5.188 35.295 1.00 1.00 ? 1 CIR B CA 1
941
+ HETATM 547 N N . CIR C 3 . ? 1.457 6.536 35.882 1.00 1.00 ? 1 CIR B N 1
942
+ HETATM 548 C C3 . CIR C 3 . ? 1.802 5.110 33.878 1.00 1.00 ? 1 CIR B C3 1
943
+ HETATM 549 C C4 . CIR C 3 . ? 2.366 3.720 33.614 1.00 1.00 ? 1 CIR B C4 1
944
+ HETATM 550 C C5 . CIR C 3 . ? 1.224 2.732 33.387 1.00 1.00 ? 1 CIR B C5 1
945
+ HETATM 551 N N6 . CIR C 3 . ? 1.736 1.341 33.591 1.00 1.00 ? 1 CIR B N6 1
946
+ HETATM 552 C C7 . CIR C 3 . ? 0.948 0.312 33.429 1.00 1.00 ? 1 CIR B C7 1
947
+ HETATM 553 O O7 . CIR C 3 . ? 0.826 -0.531 34.315 1.00 1.00 ? 1 CIR B O7 1
948
+ HETATM 554 N N8 . CIR C 3 . ? 0.295 0.166 32.313 1.00 1.00 ? 1 CIR B N8 1
949
+ #
950
+ loop_
951
+ _pdbx_poly_seq_scheme.asym_id
952
+ _pdbx_poly_seq_scheme.entity_id
953
+ _pdbx_poly_seq_scheme.seq_id
954
+ _pdbx_poly_seq_scheme.mon_id
955
+ _pdbx_poly_seq_scheme.ndb_seq_num
956
+ _pdbx_poly_seq_scheme.pdb_seq_num
957
+ _pdbx_poly_seq_scheme.auth_seq_num
958
+ _pdbx_poly_seq_scheme.pdb_mon_id
959
+ _pdbx_poly_seq_scheme.auth_mon_id
960
+ _pdbx_poly_seq_scheme.pdb_strand_id
961
+ _pdbx_poly_seq_scheme.pdb_ins_code
962
+ _pdbx_poly_seq_scheme.hetero
963
+ A 1 1 A 1 5 5 A A A . n
964
+ A 1 2 G 2 6 6 G G A . n
965
+ A 1 3 A 3 7 7 A A A . n
966
+ A 1 4 A 4 8 8 A A A . n
967
+ A 1 5 G 5 9 9 G G A . n
968
+ A 1 6 G 6 10 10 G G A . n
969
+ A 1 7 A 7 11 11 A A A . n
970
+ A 1 8 G 8 12 12 G G A . n
971
+ A 1 9 U 9 13 13 U U A . n
972
+ A 1 10 G 10 14 14 G G A . n
973
+ A 1 11 U 11 15 15 U U A . n
974
+ B 2 1 A 1 27 27 A A B . n
975
+ B 2 2 C 2 28 28 C C B . n
976
+ B 2 3 G 3 29 29 G G B . n
977
+ B 2 4 G 4 30 30 G G B . n
978
+ B 2 5 U 5 31 31 U U B . n
979
+ B 2 6 U 6 32 32 U U B . n
980
+ B 2 7 A 7 33 33 A A B . n
981
+ B 2 8 G 8 34 34 G G B . n
982
+ B 2 9 G 9 35 35 G G B . n
983
+ B 2 10 U 10 36 36 U U B . n
984
+ B 2 11 C 11 37 37 C C B . n
985
+ B 2 12 G 12 38 38 G G B . n
986
+ B 2 13 C 13 39 39 C C B . n
987
+ B 2 14 U 14 40 40 U U B . n
988
+ #
989
+ _pdbx_nonpoly_scheme.asym_id C
990
+ _pdbx_nonpoly_scheme.entity_id 3
991
+ _pdbx_nonpoly_scheme.mon_id CIR
992
+ _pdbx_nonpoly_scheme.ndb_seq_num 1
993
+ _pdbx_nonpoly_scheme.pdb_seq_num 1
994
+ _pdbx_nonpoly_scheme.auth_seq_num 1
995
+ _pdbx_nonpoly_scheme.pdb_mon_id CIR
996
+ _pdbx_nonpoly_scheme.auth_mon_id CIR
997
+ _pdbx_nonpoly_scheme.pdb_strand_id B
998
+ _pdbx_nonpoly_scheme.pdb_ins_code .
999
+ #
1000
+ _pdbx_struct_assembly.id 1
1001
+ _pdbx_struct_assembly.details author_defined_assembly
1002
+ _pdbx_struct_assembly.method_details ?
1003
+ _pdbx_struct_assembly.oligomeric_details dimeric
1004
+ _pdbx_struct_assembly.oligomeric_count 2
1005
+ #
1006
+ _pdbx_struct_assembly_gen.assembly_id 1
1007
+ _pdbx_struct_assembly_gen.oper_expression 1
1008
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C
1009
+ #
1010
+ _pdbx_struct_oper_list.id 1
1011
+ _pdbx_struct_oper_list.type 'identity operation'
1012
+ _pdbx_struct_oper_list.name 1_555
1013
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
1014
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
1015
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
1016
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
1017
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
1018
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
1019
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
1020
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
1021
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
1022
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
1023
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
1024
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
1025
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
1026
+ #
1027
+ loop_
1028
+ _pdbx_audit_revision_history.ordinal
1029
+ _pdbx_audit_revision_history.data_content_type
1030
+ _pdbx_audit_revision_history.major_revision
1031
+ _pdbx_audit_revision_history.minor_revision
1032
+ _pdbx_audit_revision_history.revision_date
1033
+ 1 'Structure model' 1 0 1996-11-08
1034
+ 2 'Structure model' 1 1 2008-03-24
1035
+ 3 'Structure model' 1 2 2011-07-13
1036
+ 4 'Structure model' 1 3 2022-02-23
1037
+ 5 'Structure model' 2 0 2023-11-15
1038
+ #
1039
+ _pdbx_audit_revision_details.ordinal 1
1040
+ _pdbx_audit_revision_details.revision_ordinal 1
1041
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
1042
+ _pdbx_audit_revision_details.provider repository
1043
+ _pdbx_audit_revision_details.type 'Initial release'
1044
+ _pdbx_audit_revision_details.description ?
1045
+ _pdbx_audit_revision_details.details ?
1046
+ #
1047
+ loop_
1048
+ _pdbx_audit_revision_group.ordinal
1049
+ _pdbx_audit_revision_group.revision_ordinal
1050
+ _pdbx_audit_revision_group.data_content_type
1051
+ _pdbx_audit_revision_group.group
1052
+ 1 2 'Structure model' 'Version format compliance'
1053
+ 2 3 'Structure model' 'Version format compliance'
1054
+ 3 4 'Structure model' 'Database references'
1055
+ 4 4 'Structure model' 'Derived calculations'
1056
+ 5 4 'Structure model' Other
1057
+ 6 5 'Structure model' 'Atomic model'
1058
+ 7 5 'Structure model' 'Data collection'
1059
+ #
1060
+ loop_
1061
+ _pdbx_audit_revision_category.ordinal
1062
+ _pdbx_audit_revision_category.revision_ordinal
1063
+ _pdbx_audit_revision_category.data_content_type
1064
+ _pdbx_audit_revision_category.category
1065
+ 1 4 'Structure model' database_2
1066
+ 2 4 'Structure model' pdbx_database_status
1067
+ 3 4 'Structure model' pdbx_struct_assembly
1068
+ 4 4 'Structure model' pdbx_struct_oper_list
1069
+ 5 4 'Structure model' struct_site
1070
+ 6 5 'Structure model' atom_site
1071
+ 7 5 'Structure model' chem_comp_atom
1072
+ 8 5 'Structure model' chem_comp_bond
1073
+ #
1074
+ loop_
1075
+ _pdbx_audit_revision_item.ordinal
1076
+ _pdbx_audit_revision_item.revision_ordinal
1077
+ _pdbx_audit_revision_item.data_content_type
1078
+ _pdbx_audit_revision_item.item
1079
+ 1 4 'Structure model' '_database_2.pdbx_DOI'
1080
+ 2 4 'Structure model' '_database_2.pdbx_database_accession'
1081
+ 3 4 'Structure model' '_pdbx_database_status.process_site'
1082
+ 4 4 'Structure model' '_struct_site.pdbx_auth_asym_id'
1083
+ 5 4 'Structure model' '_struct_site.pdbx_auth_comp_id'
1084
+ 6 4 'Structure model' '_struct_site.pdbx_auth_seq_id'
1085
+ 7 5 'Structure model' '_atom_site.auth_atom_id'
1086
+ 8 5 'Structure model' '_atom_site.label_atom_id'
1087
+ #
1088
+ loop_
1089
+ _software.name
1090
+ _software.classification
1091
+ _software.version
1092
+ _software.citation_id
1093
+ _software.pdbx_ordinal
1094
+ X-PLOR 'model building' . ? 1
1095
+ X-PLOR refinement . ? 2
1096
+ X-PLOR phasing . ? 3
1097
+ #
1098
+ loop_
1099
+ _pdbx_validate_rmsd_angle.id
1100
+ _pdbx_validate_rmsd_angle.PDB_model_num
1101
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
1102
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
1103
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
1104
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
1105
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
1106
+ _pdbx_validate_rmsd_angle.label_alt_id_1
1107
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
1108
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
1109
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
1110
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
1111
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
1112
+ _pdbx_validate_rmsd_angle.label_alt_id_2
1113
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
1114
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
1115
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
1116
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
1117
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
1118
+ _pdbx_validate_rmsd_angle.label_alt_id_3
1119
+ _pdbx_validate_rmsd_angle.angle_value
1120
+ _pdbx_validate_rmsd_angle.angle_target_value
1121
+ _pdbx_validate_rmsd_angle.angle_deviation
1122
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
1123
+ _pdbx_validate_rmsd_angle.linker_flag
1124
+ 1 1 OP1 A A 5 ? ? P A A 5 ? ? OP2 A A 5 ? ? 110.34 119.60 -9.26 1.50 N
1125
+ 2 1 "C3'" A A 5 ? ? "C2'" A A 5 ? ? "C1'" A A 5 ? ? 106.35 101.50 4.85 0.80 N
1126
+ 3 1 N7 A A 5 ? ? C8 A A 5 ? ? N9 A A 5 ? ? 117.65 113.80 3.85 0.50 N
1127
+ 4 1 "C3'" A G 6 ? ? "C2'" A G 6 ? ? "C1'" A G 6 ? ? 106.47 101.50 4.97 0.80 N
1128
+ 5 1 N7 A G 6 ? ? C8 A G 6 ? ? N9 A G 6 ? ? 117.73 113.10 4.63 0.50 N
1129
+ 6 1 C8 A G 6 ? ? N9 A G 6 ? ? C4 A G 6 ? ? 103.67 106.40 -2.73 0.40 N
1130
+ 7 1 N7 A A 7 ? ? C8 A A 7 ? ? N9 A A 7 ? ? 117.50 113.80 3.70 0.50 N
1131
+ 8 1 N7 A A 8 ? ? C8 A A 8 ? ? N9 A A 8 ? ? 117.57 113.80 3.77 0.50 N
1132
+ 9 1 N7 A G 9 ? ? C8 A G 9 ? ? N9 A G 9 ? ? 117.77 113.10 4.67 0.50 N
1133
+ 10 1 N7 A G 10 ? ? C8 A G 10 ? ? N9 A G 10 ? ? 117.52 113.10 4.42 0.50 N
1134
+ 11 1 C8 A G 10 ? ? N9 A G 10 ? ? C4 A G 10 ? ? 103.54 106.40 -2.86 0.40 N
1135
+ 12 1 N7 A A 11 ? ? C8 A A 11 ? ? N9 A A 11 ? ? 117.79 113.80 3.99 0.50 N
1136
+ 13 1 "O4'" A G 12 ? ? "C1'" A G 12 ? ? N9 A G 12 ? ? 113.11 108.50 4.61 0.70 N
1137
+ 14 1 N7 A G 12 ? ? C8 A G 12 ? ? N9 A G 12 ? ? 117.55 113.10 4.45 0.50 N
1138
+ 15 1 C8 A G 12 ? ? N9 A G 12 ? ? C4 A G 12 ? ? 103.67 106.40 -2.73 0.40 N
1139
+ 16 1 N7 A G 14 ? ? C8 A G 14 ? ? N9 A G 14 ? ? 118.19 113.10 5.09 0.50 N
1140
+ 17 1 C8 A G 14 ? ? N9 A G 14 ? ? C4 A G 14 ? ? 103.64 106.40 -2.76 0.40 N
1141
+ 18 1 "C3'" A U 15 ? ? "C2'" A U 15 ? ? "C1'" A U 15 ? ? 106.41 101.50 4.91 0.80 N
1142
+ 19 1 OP1 B A 27 ? ? P B A 27 ? ? OP2 B A 27 ? ? 110.35 119.60 -9.25 1.50 N
1143
+ 20 1 N7 B A 27 ? ? C8 B A 27 ? ? N9 B A 27 ? ? 117.47 113.80 3.67 0.50 N
1144
+ 21 1 N7 B G 29 ? ? C8 B G 29 ? ? N9 B G 29 ? ? 117.63 113.10 4.53 0.50 N
1145
+ 22 1 C8 B G 29 ? ? N9 B G 29 ? ? C4 B G 29 ? ? 103.61 106.40 -2.79 0.40 N
1146
+ 23 1 "C3'" B G 30 ? ? "C2'" B G 30 ? ? "C1'" B G 30 ? ? 106.40 101.50 4.90 0.80 N
1147
+ 24 1 N7 B G 30 ? ? C8 B G 30 ? ? N9 B G 30 ? ? 117.42 113.10 4.32 0.50 N
1148
+ 25 1 C8 B G 30 ? ? N9 B G 30 ? ? C4 B G 30 ? ? 103.62 106.40 -2.78 0.40 N
1149
+ 26 1 "C3'" B U 31 ? ? "C2'" B U 31 ? ? "C1'" B U 31 ? ? 106.42 101.50 4.92 0.80 N
1150
+ 27 1 "C3'" B U 32 ? ? "C2'" B U 32 ? ? "C1'" B U 32 ? ? 106.37 101.50 4.87 0.80 N
1151
+ 28 1 N7 B A 33 ? ? C8 B A 33 ? ? N9 B A 33 ? ? 117.60 113.80 3.80 0.50 N
1152
+ 29 1 N7 B G 34 ? ? C8 B G 34 ? ? N9 B G 34 ? ? 117.93 113.10 4.83 0.50 N
1153
+ 30 1 C8 B G 34 ? ? N9 B G 34 ? ? C4 B G 34 ? ? 103.45 106.40 -2.95 0.40 N
1154
+ 31 1 "O4'" B G 35 ? ? "C1'" B G 35 ? ? N9 B G 35 ? ? 114.58 108.50 6.08 0.70 N
1155
+ 32 1 N7 B G 35 ? ? C8 B G 35 ? ? N9 B G 35 ? ? 118.57 113.10 5.47 0.50 N
1156
+ 33 1 C8 B G 35 ? ? N9 B G 35 ? ? C4 B G 35 ? ? 103.59 106.40 -2.81 0.40 N
1157
+ 34 1 "O4'" B U 36 ? ? "C1'" B U 36 ? ? N1 B U 36 ? ? 113.03 108.50 4.53 0.70 N
1158
+ 35 1 N7 B G 38 ? ? C8 B G 38 ? ? N9 B G 38 ? ? 117.51 113.10 4.41 0.50 N
1159
+ 36 1 C8 B G 38 ? ? N9 B G 38 ? ? C4 B G 38 ? ? 103.88 106.40 -2.52 0.40 N
1160
+ 37 1 "C3'" B C 39 ? ? "C2'" B C 39 ? ? "C1'" B C 39 ? ? 106.92 101.50 5.42 0.80 N
1161
+ 38 1 "O4'" B C 39 ? ? "C1'" B C 39 ? ? N1 B C 39 ? ? 112.90 108.50 4.40 0.70 N
1162
+ #
1163
+ loop_
1164
+ _chem_comp_atom.comp_id
1165
+ _chem_comp_atom.atom_id
1166
+ _chem_comp_atom.type_symbol
1167
+ _chem_comp_atom.pdbx_aromatic_flag
1168
+ _chem_comp_atom.pdbx_stereo_config
1169
+ _chem_comp_atom.pdbx_ordinal
1170
+ A OP3 O N N 1
1171
+ A P P N N 2
1172
+ A OP1 O N N 3
1173
+ A OP2 O N N 4
1174
+ A "O5'" O N N 5
1175
+ A "C5'" C N N 6
1176
+ A "C4'" C N R 7
1177
+ A "O4'" O N N 8
1178
+ A "C3'" C N S 9
1179
+ A "O3'" O N N 10
1180
+ A "C2'" C N R 11
1181
+ A "O2'" O N N 12
1182
+ A "C1'" C N R 13
1183
+ A N9 N Y N 14
1184
+ A C8 C Y N 15
1185
+ A N7 N Y N 16
1186
+ A C5 C Y N 17
1187
+ A C6 C Y N 18
1188
+ A N6 N N N 19
1189
+ A N1 N Y N 20
1190
+ A C2 C Y N 21
1191
+ A N3 N Y N 22
1192
+ A C4 C Y N 23
1193
+ A HOP3 H N N 24
1194
+ A HOP2 H N N 25
1195
+ A "H5'" H N N 26
1196
+ A "H5''" H N N 27
1197
+ A "H4'" H N N 28
1198
+ A "H3'" H N N 29
1199
+ A "HO3'" H N N 30
1200
+ A "H2'" H N N 31
1201
+ A "HO2'" H N N 32
1202
+ A "H1'" H N N 33
1203
+ A H8 H N N 34
1204
+ A H61 H N N 35
1205
+ A H62 H N N 36
1206
+ A H2 H N N 37
1207
+ C OP3 O N N 38
1208
+ C P P N N 39
1209
+ C OP1 O N N 40
1210
+ C OP2 O N N 41
1211
+ C "O5'" O N N 42
1212
+ C "C5'" C N N 43
1213
+ C "C4'" C N R 44
1214
+ C "O4'" O N N 45
1215
+ C "C3'" C N S 46
1216
+ C "O3'" O N N 47
1217
+ C "C2'" C N R 48
1218
+ C "O2'" O N N 49
1219
+ C "C1'" C N R 50
1220
+ C N1 N N N 51
1221
+ C C2 C N N 52
1222
+ C O2 O N N 53
1223
+ C N3 N N N 54
1224
+ C C4 C N N 55
1225
+ C N4 N N N 56
1226
+ C C5 C N N 57
1227
+ C C6 C N N 58
1228
+ C HOP3 H N N 59
1229
+ C HOP2 H N N 60
1230
+ C "H5'" H N N 61
1231
+ C "H5''" H N N 62
1232
+ C "H4'" H N N 63
1233
+ C "H3'" H N N 64
1234
+ C "HO3'" H N N 65
1235
+ C "H2'" H N N 66
1236
+ C "HO2'" H N N 67
1237
+ C "H1'" H N N 68
1238
+ C H41 H N N 69
1239
+ C H42 H N N 70
1240
+ C H5 H N N 71
1241
+ C H6 H N N 72
1242
+ CIR C C N N 73
1243
+ CIR O O N N 74
1244
+ CIR OXT O N N 75
1245
+ CIR CA C N S 76
1246
+ CIR N N N N 77
1247
+ CIR C3 C N N 78
1248
+ CIR C4 C N N 79
1249
+ CIR C5 C N N 80
1250
+ CIR N6 N N N 81
1251
+ CIR C7 C N N 82
1252
+ CIR O7 O N N 83
1253
+ CIR N8 N N N 84
1254
+ CIR HXT H N N 85
1255
+ CIR HA H N N 86
1256
+ CIR H2 H N N 87
1257
+ CIR H H N N 88
1258
+ CIR H31 H N N 89
1259
+ CIR H32 H N N 90
1260
+ CIR H41 H N N 91
1261
+ CIR H42 H N N 92
1262
+ CIR H51 H N N 93
1263
+ CIR H52 H N N 94
1264
+ CIR HN6 H N N 95
1265
+ CIR HN81 H N N 96
1266
+ CIR HN82 H N N 97
1267
+ G OP3 O N N 98
1268
+ G P P N N 99
1269
+ G OP1 O N N 100
1270
+ G OP2 O N N 101
1271
+ G "O5'" O N N 102
1272
+ G "C5'" C N N 103
1273
+ G "C4'" C N R 104
1274
+ G "O4'" O N N 105
1275
+ G "C3'" C N S 106
1276
+ G "O3'" O N N 107
1277
+ G "C2'" C N R 108
1278
+ G "O2'" O N N 109
1279
+ G "C1'" C N R 110
1280
+ G N9 N Y N 111
1281
+ G C8 C Y N 112
1282
+ G N7 N Y N 113
1283
+ G C5 C Y N 114
1284
+ G C6 C N N 115
1285
+ G O6 O N N 116
1286
+ G N1 N N N 117
1287
+ G C2 C N N 118
1288
+ G N2 N N N 119
1289
+ G N3 N N N 120
1290
+ G C4 C Y N 121
1291
+ G HOP3 H N N 122
1292
+ G HOP2 H N N 123
1293
+ G "H5'" H N N 124
1294
+ G "H5''" H N N 125
1295
+ G "H4'" H N N 126
1296
+ G "H3'" H N N 127
1297
+ G "HO3'" H N N 128
1298
+ G "H2'" H N N 129
1299
+ G "HO2'" H N N 130
1300
+ G "H1'" H N N 131
1301
+ G H8 H N N 132
1302
+ G H1 H N N 133
1303
+ G H21 H N N 134
1304
+ G H22 H N N 135
1305
+ U OP3 O N N 136
1306
+ U P P N N 137
1307
+ U OP1 O N N 138
1308
+ U OP2 O N N 139
1309
+ U "O5'" O N N 140
1310
+ U "C5'" C N N 141
1311
+ U "C4'" C N R 142
1312
+ U "O4'" O N N 143
1313
+ U "C3'" C N S 144
1314
+ U "O3'" O N N 145
1315
+ U "C2'" C N R 146
1316
+ U "O2'" O N N 147
1317
+ U "C1'" C N R 148
1318
+ U N1 N N N 149
1319
+ U C2 C N N 150
1320
+ U O2 O N N 151
1321
+ U N3 N N N 152
1322
+ U C4 C N N 153
1323
+ U O4 O N N 154
1324
+ U C5 C N N 155
1325
+ U C6 C N N 156
1326
+ U HOP3 H N N 157
1327
+ U HOP2 H N N 158
1328
+ U "H5'" H N N 159
1329
+ U "H5''" H N N 160
1330
+ U "H4'" H N N 161
1331
+ U "H3'" H N N 162
1332
+ U "HO3'" H N N 163
1333
+ U "H2'" H N N 164
1334
+ U "HO2'" H N N 165
1335
+ U "H1'" H N N 166
1336
+ U H3 H N N 167
1337
+ U H5 H N N 168
1338
+ U H6 H N N 169
1339
+ #
1340
+ loop_
1341
+ _chem_comp_bond.comp_id
1342
+ _chem_comp_bond.atom_id_1
1343
+ _chem_comp_bond.atom_id_2
1344
+ _chem_comp_bond.value_order
1345
+ _chem_comp_bond.pdbx_aromatic_flag
1346
+ _chem_comp_bond.pdbx_stereo_config
1347
+ _chem_comp_bond.pdbx_ordinal
1348
+ A OP3 P sing N N 1
1349
+ A OP3 HOP3 sing N N 2
1350
+ A P OP1 doub N N 3
1351
+ A P OP2 sing N N 4
1352
+ A P "O5'" sing N N 5
1353
+ A OP2 HOP2 sing N N 6
1354
+ A "O5'" "C5'" sing N N 7
1355
+ A "C5'" "C4'" sing N N 8
1356
+ A "C5'" "H5'" sing N N 9
1357
+ A "C5'" "H5''" sing N N 10
1358
+ A "C4'" "O4'" sing N N 11
1359
+ A "C4'" "C3'" sing N N 12
1360
+ A "C4'" "H4'" sing N N 13
1361
+ A "O4'" "C1'" sing N N 14
1362
+ A "C3'" "O3'" sing N N 15
1363
+ A "C3'" "C2'" sing N N 16
1364
+ A "C3'" "H3'" sing N N 17
1365
+ A "O3'" "HO3'" sing N N 18
1366
+ A "C2'" "O2'" sing N N 19
1367
+ A "C2'" "C1'" sing N N 20
1368
+ A "C2'" "H2'" sing N N 21
1369
+ A "O2'" "HO2'" sing N N 22
1370
+ A "C1'" N9 sing N N 23
1371
+ A "C1'" "H1'" sing N N 24
1372
+ A N9 C8 sing Y N 25
1373
+ A N9 C4 sing Y N 26
1374
+ A C8 N7 doub Y N 27
1375
+ A C8 H8 sing N N 28
1376
+ A N7 C5 sing Y N 29
1377
+ A C5 C6 sing Y N 30
1378
+ A C5 C4 doub Y N 31
1379
+ A C6 N6 sing N N 32
1380
+ A C6 N1 doub Y N 33
1381
+ A N6 H61 sing N N 34
1382
+ A N6 H62 sing N N 35
1383
+ A N1 C2 sing Y N 36
1384
+ A C2 N3 doub Y N 37
1385
+ A C2 H2 sing N N 38
1386
+ A N3 C4 sing Y N 39
1387
+ C OP3 P sing N N 40
1388
+ C OP3 HOP3 sing N N 41
1389
+ C P OP1 doub N N 42
1390
+ C P OP2 sing N N 43
1391
+ C P "O5'" sing N N 44
1392
+ C OP2 HOP2 sing N N 45
1393
+ C "O5'" "C5'" sing N N 46
1394
+ C "C5'" "C4'" sing N N 47
1395
+ C "C5'" "H5'" sing N N 48
1396
+ C "C5'" "H5''" sing N N 49
1397
+ C "C4'" "O4'" sing N N 50
1398
+ C "C4'" "C3'" sing N N 51
1399
+ C "C4'" "H4'" sing N N 52
1400
+ C "O4'" "C1'" sing N N 53
1401
+ C "C3'" "O3'" sing N N 54
1402
+ C "C3'" "C2'" sing N N 55
1403
+ C "C3'" "H3'" sing N N 56
1404
+ C "O3'" "HO3'" sing N N 57
1405
+ C "C2'" "O2'" sing N N 58
1406
+ C "C2'" "C1'" sing N N 59
1407
+ C "C2'" "H2'" sing N N 60
1408
+ C "O2'" "HO2'" sing N N 61
1409
+ C "C1'" N1 sing N N 62
1410
+ C "C1'" "H1'" sing N N 63
1411
+ C N1 C2 sing N N 64
1412
+ C N1 C6 sing N N 65
1413
+ C C2 O2 doub N N 66
1414
+ C C2 N3 sing N N 67
1415
+ C N3 C4 doub N N 68
1416
+ C C4 N4 sing N N 69
1417
+ C C4 C5 sing N N 70
1418
+ C N4 H41 sing N N 71
1419
+ C N4 H42 sing N N 72
1420
+ C C5 C6 doub N N 73
1421
+ C C5 H5 sing N N 74
1422
+ C C6 H6 sing N N 75
1423
+ CIR C O doub N N 76
1424
+ CIR C OXT sing N N 77
1425
+ CIR C CA sing N N 78
1426
+ CIR OXT HXT sing N N 79
1427
+ CIR CA N sing N N 80
1428
+ CIR CA C3 sing N N 81
1429
+ CIR CA HA sing N N 82
1430
+ CIR N H2 sing N N 83
1431
+ CIR N H sing N N 84
1432
+ CIR C3 C4 sing N N 85
1433
+ CIR C3 H31 sing N N 86
1434
+ CIR C3 H32 sing N N 87
1435
+ CIR C4 C5 sing N N 88
1436
+ CIR C4 H41 sing N N 89
1437
+ CIR C4 H42 sing N N 90
1438
+ CIR C5 N6 sing N N 91
1439
+ CIR C5 H51 sing N N 92
1440
+ CIR C5 H52 sing N N 93
1441
+ CIR N6 C7 sing N N 94
1442
+ CIR N6 HN6 sing N N 95
1443
+ CIR C7 O7 doub N N 96
1444
+ CIR C7 N8 sing N N 97
1445
+ CIR N8 HN81 sing N N 98
1446
+ CIR N8 HN82 sing N N 99
1447
+ G OP3 P sing N N 100
1448
+ G OP3 HOP3 sing N N 101
1449
+ G P OP1 doub N N 102
1450
+ G P OP2 sing N N 103
1451
+ G P "O5'" sing N N 104
1452
+ G OP2 HOP2 sing N N 105
1453
+ G "O5'" "C5'" sing N N 106
1454
+ G "C5'" "C4'" sing N N 107
1455
+ G "C5'" "H5'" sing N N 108
1456
+ G "C5'" "H5''" sing N N 109
1457
+ G "C4'" "O4'" sing N N 110
1458
+ G "C4'" "C3'" sing N N 111
1459
+ G "C4'" "H4'" sing N N 112
1460
+ G "O4'" "C1'" sing N N 113
1461
+ G "C3'" "O3'" sing N N 114
1462
+ G "C3'" "C2'" sing N N 115
1463
+ G "C3'" "H3'" sing N N 116
1464
+ G "O3'" "HO3'" sing N N 117
1465
+ G "C2'" "O2'" sing N N 118
1466
+ G "C2'" "C1'" sing N N 119
1467
+ G "C2'" "H2'" sing N N 120
1468
+ G "O2'" "HO2'" sing N N 121
1469
+ G "C1'" N9 sing N N 122
1470
+ G "C1'" "H1'" sing N N 123
1471
+ G N9 C8 sing Y N 124
1472
+ G N9 C4 sing Y N 125
1473
+ G C8 N7 doub Y N 126
1474
+ G C8 H8 sing N N 127
1475
+ G N7 C5 sing Y N 128
1476
+ G C5 C6 sing N N 129
1477
+ G C5 C4 doub Y N 130
1478
+ G C6 O6 doub N N 131
1479
+ G C6 N1 sing N N 132
1480
+ G N1 C2 sing N N 133
1481
+ G N1 H1 sing N N 134
1482
+ G C2 N2 sing N N 135
1483
+ G C2 N3 doub N N 136
1484
+ G N2 H21 sing N N 137
1485
+ G N2 H22 sing N N 138
1486
+ G N3 C4 sing N N 139
1487
+ U OP3 P sing N N 140
1488
+ U OP3 HOP3 sing N N 141
1489
+ U P OP1 doub N N 142
1490
+ U P OP2 sing N N 143
1491
+ U P "O5'" sing N N 144
1492
+ U OP2 HOP2 sing N N 145
1493
+ U "O5'" "C5'" sing N N 146
1494
+ U "C5'" "C4'" sing N N 147
1495
+ U "C5'" "H5'" sing N N 148
1496
+ U "C5'" "H5''" sing N N 149
1497
+ U "C4'" "O4'" sing N N 150
1498
+ U "C4'" "C3'" sing N N 151
1499
+ U "C4'" "H4'" sing N N 152
1500
+ U "O4'" "C1'" sing N N 153
1501
+ U "C3'" "O3'" sing N N 154
1502
+ U "C3'" "C2'" sing N N 155
1503
+ U "C3'" "H3'" sing N N 156
1504
+ U "O3'" "HO3'" sing N N 157
1505
+ U "C2'" "O2'" sing N N 158
1506
+ U "C2'" "C1'" sing N N 159
1507
+ U "C2'" "H2'" sing N N 160
1508
+ U "O2'" "HO2'" sing N N 161
1509
+ U "C1'" N1 sing N N 162
1510
+ U "C1'" "H1'" sing N N 163
1511
+ U N1 C2 sing N N 164
1512
+ U N1 C6 sing N N 165
1513
+ U C2 O2 doub N N 166
1514
+ U C2 N3 sing N N 167
1515
+ U N3 C4 sing N N 168
1516
+ U N3 H3 sing N N 169
1517
+ U C4 O4 doub N N 170
1518
+ U C4 C5 sing N N 171
1519
+ U C5 C6 doub N N 172
1520
+ U C5 H5 sing N N 173
1521
+ U C6 H6 sing N N 174
1522
+ #
1523
+ loop_
1524
+ _ndb_struct_conf_na.entry_id
1525
+ _ndb_struct_conf_na.feature
1526
+ 1KOD 'double helix'
1527
+ 1KOD 'bulge loop'
1528
+ 1KOD 'mismatched base pair'
1529
+ 1KOD 'triple helix'
1530
+ #
1531
+ loop_
1532
+ _ndb_struct_na_base_pair.model_number
1533
+ _ndb_struct_na_base_pair.i_label_asym_id
1534
+ _ndb_struct_na_base_pair.i_label_comp_id
1535
+ _ndb_struct_na_base_pair.i_label_seq_id
1536
+ _ndb_struct_na_base_pair.i_symmetry
1537
+ _ndb_struct_na_base_pair.j_label_asym_id
1538
+ _ndb_struct_na_base_pair.j_label_comp_id
1539
+ _ndb_struct_na_base_pair.j_label_seq_id
1540
+ _ndb_struct_na_base_pair.j_symmetry
1541
+ _ndb_struct_na_base_pair.shear
1542
+ _ndb_struct_na_base_pair.stretch
1543
+ _ndb_struct_na_base_pair.stagger
1544
+ _ndb_struct_na_base_pair.buckle
1545
+ _ndb_struct_na_base_pair.propeller
1546
+ _ndb_struct_na_base_pair.opening
1547
+ _ndb_struct_na_base_pair.pair_number
1548
+ _ndb_struct_na_base_pair.pair_name
1549
+ _ndb_struct_na_base_pair.i_auth_asym_id
1550
+ _ndb_struct_na_base_pair.i_auth_seq_id
1551
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1552
+ _ndb_struct_na_base_pair.j_auth_asym_id
1553
+ _ndb_struct_na_base_pair.j_auth_seq_id
1554
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1555
+ _ndb_struct_na_base_pair.hbond_type_28
1556
+ _ndb_struct_na_base_pair.hbond_type_12
1557
+ 1 A A 1 1_555 B U 14 1_555 -0.412 -0.563 -2.167 -2.274 -8.721 7.876 1 A_A5:U40_B A 5 ? B 40 ? 20 1
1558
+ 1 A A 3 1_555 B C 13 1_555 -1.172 -0.577 1.051 -9.481 12.823 21.580 2 A_A7:C39_B A 7 ? B 39 ? ? 1
1559
+ 1 B G 8 1_555 B G 12 1_555 -0.139 3.948 -1.222 -16.307 30.454 -141.160 3 B_G34:G38_B B 34 ? B 38 ? ? ?
1560
+ 1 A G 6 1_555 B C 11 1_555 -0.808 0.211 0.301 26.579 0.032 10.281 4 A_G10:C37_B A 10 ? B 37 ? ? 1
1561
+ 1 A A 7 1_555 B G 4 1_555 -0.679 -4.191 -0.058 -22.278 49.070 160.737 5 A_A11:G30_B A 11 ? B 30 ? ? ?
1562
+ 1 A G 8 1_555 A G 5 1_555 1.457 -4.929 -0.431 47.975 -19.965 108.561 6 A_G12:G9_A A 12 ? A 9 ? ? ?
1563
+ 1 A U 9 1_555 B G 3 1_555 -3.568 0.780 -1.453 -17.695 -41.512 -75.134 7 A_U13:G29_B A 13 ? B 29 ? ? ?
1564
+ 1 A G 10 1_555 B C 2 1_555 -0.539 -0.705 -1.499 -16.697 -5.923 -0.559 8 A_G14:C28_B A 14 ? B 28 ? 19 1
1565
+ 1 A U 11 1_555 B A 1 1_555 -0.643 0.215 -1.293 43.986 3.814 8.745 9 A_U15:A27_B A 15 ? B 27 ? 20 1
1566
+ 1 B A 7 1_555 B G 9 1_555 -2.798 4.394 1.130 46.568 0.416 -122.402 10 B_A33:G35_B B 33 ? B 35 ? ? 5
1567
+ #
1568
+ loop_
1569
+ _ndb_struct_na_base_pair_step.model_number
1570
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1571
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1572
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1573
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1574
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1575
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1576
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1577
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1578
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1579
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1580
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1581
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1582
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1583
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1584
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1585
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1586
+ _ndb_struct_na_base_pair_step.shift
1587
+ _ndb_struct_na_base_pair_step.slide
1588
+ _ndb_struct_na_base_pair_step.rise
1589
+ _ndb_struct_na_base_pair_step.tilt
1590
+ _ndb_struct_na_base_pair_step.roll
1591
+ _ndb_struct_na_base_pair_step.twist
1592
+ _ndb_struct_na_base_pair_step.x_displacement
1593
+ _ndb_struct_na_base_pair_step.y_displacement
1594
+ _ndb_struct_na_base_pair_step.helical_rise
1595
+ _ndb_struct_na_base_pair_step.inclination
1596
+ _ndb_struct_na_base_pair_step.tip
1597
+ _ndb_struct_na_base_pair_step.helical_twist
1598
+ _ndb_struct_na_base_pair_step.step_number
1599
+ _ndb_struct_na_base_pair_step.step_name
1600
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1601
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1602
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1603
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1604
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1605
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1606
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1607
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1608
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1609
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1610
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1611
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1612
+ 1 A A 1 1_555 B U 14 1_555 A A 3 1_555 B C 13 1_555 -0.805 -0.611 5.680 -0.365 21.881 39.035 -4.250 1.005 4.726 30.052
1613
+ 0.501 44.541 1 AA_A5A7:C39U40_BB A 5 ? B 40 ? A 7 ? B 39 ?
1614
+ 1 A A 3 1_555 B C 13 1_555 B G 8 1_555 B G 12 1_555 3.616 -0.555 0.380 -113.444 -120.166 -124.474 0.428 1.670 1.299 60.694
1615
+ -57.299 -173.147 2 AB_A7G34:G38C39_BB A 7 ? B 39 ? B 34 ? B 38 ?
1616
+ 1 B G 8 1_555 B G 12 1_555 A G 6 1_555 B C 11 1_555 1.958 2.584 -3.573 -155.756 -16.907 -129.333 -1.367 1.630 -2.306 8.571
1617
+ -78.967 -170.074 3 BA_G34G10:C37G38_BB B 34 ? B 38 ? A 10 ? B 37 ?
1618
+ 1 A G 6 1_555 B C 11 1_555 A A 7 1_555 B G 4 1_555 4.201 -0.180 4.208 -10.193 -39.981 -43.048 3.160 3.510 3.713 44.321
1619
+ -11.299 -58.941 4 AA_G10A11:G30C37_BB A 10 ? B 37 ? A 11 ? B 30 ?
1620
+ 1 A A 7 1_555 B G 4 1_555 A G 8 1_555 A G 5 1_555 -1.084 -1.651 1.956 4.638 48.808 60.688 -1.984 0.937 0.586 41.883
1621
+ -3.980 76.519 5 AA_A11G12:G9G30_AB A 11 ? B 30 ? A 12 ? A 9 ?
1622
+ 1 A G 8 1_555 A G 5 1_555 A U 9 1_555 B G 3 1_555 -0.264 -1.125 3.660 -17.726 3.266 124.966 -0.662 -0.016 3.652 1.837
1623
+ 9.972 125.701 6 AA_G12U13:G29G9_BA A 12 ? A 9 ? A 13 ? B 29 ?
1624
+ 1 A U 9 1_555 B G 3 1_555 A G 10 1_555 B C 2 1_555 0.850 0.457 3.687 2.081 5.905 21.812 -1.314 -1.288 3.742 15.206
1625
+ -5.360 22.682 7 AA_U13G14:C28G29_BB A 13 ? B 29 ? A 14 ? B 28 ?
1626
+ 1 A G 10 1_555 B C 2 1_555 A U 11 1_555 B A 1 1_555 -1.076 -1.009 2.560 -22.683 9.960 19.274 -3.530 -1.786 2.043 21.181
1627
+ 48.238 31.295 8 AA_G14U15:A27C28_BB A 14 ? B 28 ? A 15 ? B 27 ?
1628
+ #
1629
+ _pdbx_entity_nonpoly.entity_id 3
1630
+ _pdbx_entity_nonpoly.name CITRULLINE
1631
+ _pdbx_entity_nonpoly.comp_id CIR
1632
+ #
structures/1kos.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/1njm.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/1rmn.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/1roq.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/1u2a.cif ADDED
@@ -0,0 +1,1633 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1U2A
2
+ #
3
+ _entry.id 1U2A
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.392
7
+ _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8
+ #
9
+ loop_
10
+ _database_2.database_id
11
+ _database_2.database_code
12
+ _database_2.pdbx_database_accession
13
+ _database_2.pdbx_DOI
14
+ PDB 1U2A pdb_00001u2a 10.2210/pdb1u2a/pdb
15
+ WWPDB D_1000176896 ? ?
16
+ #
17
+ loop_
18
+ _pdbx_audit_revision_history.ordinal
19
+ _pdbx_audit_revision_history.data_content_type
20
+ _pdbx_audit_revision_history.major_revision
21
+ _pdbx_audit_revision_history.minor_revision
22
+ _pdbx_audit_revision_history.revision_date
23
+ 1 'Structure model' 1 0 1998-03-04
24
+ 2 'Structure model' 1 1 2008-03-24
25
+ 3 'Structure model' 1 2 2011-07-13
26
+ 4 'Structure model' 1 3 2022-03-02
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
55
+ 2 4 'Structure model' pdbx_database_status
56
+ 3 4 'Structure model' pdbx_struct_assembly
57
+ 4 4 'Structure model' pdbx_struct_oper_list
58
+ 5 5 'Structure model' chem_comp_atom
59
+ 6 5 'Structure model' chem_comp_bond
60
+ #
61
+ loop_
62
+ _pdbx_audit_revision_item.ordinal
63
+ _pdbx_audit_revision_item.revision_ordinal
64
+ _pdbx_audit_revision_item.data_content_type
65
+ _pdbx_audit_revision_item.item
66
+ 1 4 'Structure model' '_database_2.pdbx_DOI'
67
+ 2 4 'Structure model' '_database_2.pdbx_database_accession'
68
+ 3 4 'Structure model' '_pdbx_database_status.process_site'
69
+ #
70
+ _pdbx_database_status.status_code REL
71
+ _pdbx_database_status.entry_id 1U2A
72
+ _pdbx_database_status.recvd_initial_deposition_date 1997-08-19
73
+ _pdbx_database_status.deposit_site ?
74
+ _pdbx_database_status.process_site BNL
75
+ _pdbx_database_status.status_code_sf ?
76
+ _pdbx_database_status.status_code_mr REL
77
+ _pdbx_database_status.SG_entry ?
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
+ _pdbx_database_related.db_name PDB
84
+ _pdbx_database_related.db_id 2U2A
85
+ _pdbx_database_related.details 'MINIMIZED AVERAGE STRUCTURE'
86
+ _pdbx_database_related.content_type unspecified
87
+ #
88
+ loop_
89
+ _audit_author.name
90
+ _audit_author.pdbx_ordinal
91
+ 'Stallings, S.C.' 1
92
+ 'Moore, P.B.' 2
93
+ #
94
+ loop_
95
+ _citation.id
96
+ _citation.title
97
+ _citation.journal_abbrev
98
+ _citation.journal_volume
99
+ _citation.page_first
100
+ _citation.page_last
101
+ _citation.year
102
+ _citation.journal_id_ASTM
103
+ _citation.country
104
+ _citation.journal_id_ISSN
105
+ _citation.journal_id_CSD
106
+ _citation.book_publisher
107
+ _citation.pdbx_database_id_PubMed
108
+ _citation.pdbx_database_id_DOI
109
+ primary 'The structure of an essential splicing element: stem loop IIa from yeast U2 snRNA.' Structure 5 1173 1185 1997 STRUE6
110
+ UK 0969-2126 2005 ? 9331416 '10.1016/S0969-2126(97)00268-2'
111
+ 1 'Efficient Association of U2 Snrnps with Pre-Mrna Requires an Essential U2 RNA Structural Element' 'Genes Dev.' 5 2521 ?
112
+ 1991 GEDEEP US 0890-9369 2056 ? ? ?
113
+ 2
114
+ 'Lethal and Temperature-Sensitive Mutations and Their Suppressors Identify an Essential Structural Element in U2 Small Nuclear RNA'
115
+ 'Genes Dev.' 4 2132 ? 1990 GEDEEP US 0890-9369 2056 ? ? ?
116
+ #
117
+ loop_
118
+ _citation_author.citation_id
119
+ _citation_author.name
120
+ _citation_author.ordinal
121
+ _citation_author.identifier_ORCID
122
+ primary 'Stallings, S.C.' 1 ?
123
+ primary 'Moore, P.B.' 2 ?
124
+ 1 'Zavanelli, M.I.' 3 ?
125
+ 1 'Ares Junior, M.' 4 ?
126
+ 2 'Ares Junior, M.' 5 ?
127
+ 2 'Igel, A.H.' 6 ?
128
+ #
129
+ _entity.id 1
130
+ _entity.type polymer
131
+ _entity.src_method man
132
+ _entity.pdbx_description
133
+ ;RNA (5'-R(P*GP*GP*UP*CP*AP*GP*UP*GP*UP*AP*AP*CP*AP*AP*CP*UP*GP*AP*CP*C)-3')
134
+ ;
135
+ _entity.formula_weight 6406.878
136
+ _entity.pdbx_number_of_molecules 1
137
+ _entity.pdbx_ec ?
138
+ _entity.pdbx_mutation
139
+ 'TWO TERMINAL BASE PAIRS WERE CHANGED FROM UAS IN STEM LOOP IIA TO GCS IN U2A TO ACCOMMODATE T7 TRANSCRIPTION'
140
+ _entity.pdbx_fragment 'STEM LOOP IIA'
141
+ _entity.details ?
142
+ #
143
+ _entity_poly.entity_id 1
144
+ _entity_poly.type polyribonucleotide
145
+ _entity_poly.nstd_linkage no
146
+ _entity_poly.nstd_monomer no
147
+ _entity_poly.pdbx_seq_one_letter_code GGUCAGUGUAACAACUGACC
148
+ _entity_poly.pdbx_seq_one_letter_code_can GGUCAGUGUAACAACUGACC
149
+ _entity_poly.pdbx_strand_id A
150
+ _entity_poly.pdbx_target_identifier ?
151
+ #
152
+ loop_
153
+ _entity_poly_seq.entity_id
154
+ _entity_poly_seq.num
155
+ _entity_poly_seq.mon_id
156
+ _entity_poly_seq.hetero
157
+ 1 1 G n
158
+ 1 2 G n
159
+ 1 3 U n
160
+ 1 4 C n
161
+ 1 5 A n
162
+ 1 6 G n
163
+ 1 7 U n
164
+ 1 8 G n
165
+ 1 9 U n
166
+ 1 10 A n
167
+ 1 11 A n
168
+ 1 12 C n
169
+ 1 13 A n
170
+ 1 14 A n
171
+ 1 15 C n
172
+ 1 16 U n
173
+ 1 17 G n
174
+ 1 18 A n
175
+ 1 19 C n
176
+ 1 20 C n
177
+ #
178
+ _entity_src_gen.entity_id 1
179
+ _entity_src_gen.pdbx_src_id 1
180
+ _entity_src_gen.pdbx_alt_source_flag sample
181
+ _entity_src_gen.pdbx_seq_type ?
182
+ _entity_src_gen.pdbx_beg_seq_num ?
183
+ _entity_src_gen.pdbx_end_seq_num ?
184
+ _entity_src_gen.gene_src_common_name
185
+ ;baker's yeast
186
+ ;
187
+ _entity_src_gen.gene_src_genus Saccharomyces
188
+ _entity_src_gen.pdbx_gene_src_gene ?
189
+ _entity_src_gen.gene_src_species ?
190
+ _entity_src_gen.gene_src_strain ?
191
+ _entity_src_gen.gene_src_tissue ?
192
+ _entity_src_gen.gene_src_tissue_fraction ?
193
+ _entity_src_gen.gene_src_details ?
194
+ _entity_src_gen.pdbx_gene_src_fragment ?
195
+ _entity_src_gen.pdbx_gene_src_scientific_name 'Saccharomyces cerevisiae'
196
+ _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 4932
197
+ _entity_src_gen.pdbx_gene_src_variant ?
198
+ _entity_src_gen.pdbx_gene_src_cell_line ?
199
+ _entity_src_gen.pdbx_gene_src_atcc ?
200
+ _entity_src_gen.pdbx_gene_src_organ ?
201
+ _entity_src_gen.pdbx_gene_src_organelle ?
202
+ _entity_src_gen.pdbx_gene_src_cell ?
203
+ _entity_src_gen.pdbx_gene_src_cellular_location ?
204
+ _entity_src_gen.host_org_common_name ?
205
+ _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli'
206
+ _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
207
+ _entity_src_gen.host_org_genus Escherichia
208
+ _entity_src_gen.pdbx_host_org_gene ?
209
+ _entity_src_gen.pdbx_host_org_organ ?
210
+ _entity_src_gen.host_org_species ?
211
+ _entity_src_gen.pdbx_host_org_tissue ?
212
+ _entity_src_gen.pdbx_host_org_tissue_fraction ?
213
+ _entity_src_gen.pdbx_host_org_strain ?
214
+ _entity_src_gen.pdbx_host_org_variant ?
215
+ _entity_src_gen.pdbx_host_org_cell_line ?
216
+ _entity_src_gen.pdbx_host_org_atcc ?
217
+ _entity_src_gen.pdbx_host_org_culture_collection ?
218
+ _entity_src_gen.pdbx_host_org_cell ?
219
+ _entity_src_gen.pdbx_host_org_organelle ?
220
+ _entity_src_gen.pdbx_host_org_cellular_location ?
221
+ _entity_src_gen.pdbx_host_org_vector_type T7
222
+ _entity_src_gen.pdbx_host_org_vector ?
223
+ _entity_src_gen.host_org_details ?
224
+ _entity_src_gen.expression_system_id ?
225
+ _entity_src_gen.plasmid_name ?
226
+ _entity_src_gen.plasmid_details ?
227
+ _entity_src_gen.pdbx_description
228
+ 'MOLECULE TRANSCRIBED FROM A PARTIALLY SINGLE-STRANDED DNA TEMPLATE USING T7 RNA POLYMERASE'
229
+ #
230
+ loop_
231
+ _chem_comp.id
232
+ _chem_comp.type
233
+ _chem_comp.mon_nstd_flag
234
+ _chem_comp.name
235
+ _chem_comp.pdbx_synonyms
236
+ _chem_comp.formula
237
+ _chem_comp.formula_weight
238
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
239
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
240
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
241
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
242
+ #
243
+ loop_
244
+ _pdbx_poly_seq_scheme.asym_id
245
+ _pdbx_poly_seq_scheme.entity_id
246
+ _pdbx_poly_seq_scheme.seq_id
247
+ _pdbx_poly_seq_scheme.mon_id
248
+ _pdbx_poly_seq_scheme.ndb_seq_num
249
+ _pdbx_poly_seq_scheme.pdb_seq_num
250
+ _pdbx_poly_seq_scheme.auth_seq_num
251
+ _pdbx_poly_seq_scheme.pdb_mon_id
252
+ _pdbx_poly_seq_scheme.auth_mon_id
253
+ _pdbx_poly_seq_scheme.pdb_strand_id
254
+ _pdbx_poly_seq_scheme.pdb_ins_code
255
+ _pdbx_poly_seq_scheme.hetero
256
+ A 1 1 G 1 1 1 G G A . n
257
+ A 1 2 G 2 2 2 G G A . n
258
+ A 1 3 U 3 3 3 U U A . n
259
+ A 1 4 C 4 4 4 C C A . n
260
+ A 1 5 A 5 5 5 A A A . n
261
+ A 1 6 G 6 6 6 G G A . n
262
+ A 1 7 U 7 7 7 U U A . n
263
+ A 1 8 G 8 8 8 G G A . n
264
+ A 1 9 U 9 9 9 U U A . n
265
+ A 1 10 A 10 10 10 A A A . n
266
+ A 1 11 A 11 11 11 A A A . n
267
+ A 1 12 C 12 12 12 C C A . n
268
+ A 1 13 A 13 13 13 A A A . n
269
+ A 1 14 A 14 14 14 A A A . n
270
+ A 1 15 C 15 15 15 C C A . n
271
+ A 1 16 U 16 16 16 U U A . n
272
+ A 1 17 G 17 17 17 G G A . n
273
+ A 1 18 A 18 18 18 A A A . n
274
+ A 1 19 C 19 19 19 C C A . n
275
+ A 1 20 C 20 20 20 C C A . n
276
+ #
277
+ loop_
278
+ _software.name
279
+ _software.classification
280
+ _software.version
281
+ _software.citation_id
282
+ _software.pdbx_ordinal
283
+ X-PLOR 'model building' 3.851 ? 1
284
+ X-PLOR refinement 3.851 ? 2
285
+ X-PLOR phasing 3.851 ? 3
286
+ #
287
+ _cell.entry_id 1U2A
288
+ _cell.length_a 1.000
289
+ _cell.length_b 1.000
290
+ _cell.length_c 1.000
291
+ _cell.angle_alpha 90.00
292
+ _cell.angle_beta 90.00
293
+ _cell.angle_gamma 90.00
294
+ _cell.Z_PDB 1
295
+ _cell.pdbx_unique_axis ?
296
+ #
297
+ _symmetry.entry_id 1U2A
298
+ _symmetry.space_group_name_H-M 'P 1'
299
+ _symmetry.pdbx_full_space_group_name_H-M ?
300
+ _symmetry.cell_setting ?
301
+ _symmetry.Int_Tables_number 1
302
+ #
303
+ _exptl.entry_id 1U2A
304
+ _exptl.method 'SOLUTION NMR'
305
+ _exptl.crystals_number ?
306
+ #
307
+ _database_PDB_matrix.entry_id 1U2A
308
+ _database_PDB_matrix.origx[1][1] 1.000000
309
+ _database_PDB_matrix.origx[1][2] 0.000000
310
+ _database_PDB_matrix.origx[1][3] 0.000000
311
+ _database_PDB_matrix.origx[2][1] 0.000000
312
+ _database_PDB_matrix.origx[2][2] 1.000000
313
+ _database_PDB_matrix.origx[2][3] 0.000000
314
+ _database_PDB_matrix.origx[3][1] 0.000000
315
+ _database_PDB_matrix.origx[3][2] 0.000000
316
+ _database_PDB_matrix.origx[3][3] 1.000000
317
+ _database_PDB_matrix.origx_vector[1] 0.00000
318
+ _database_PDB_matrix.origx_vector[2] 0.00000
319
+ _database_PDB_matrix.origx_vector[3] 0.00000
320
+ #
321
+ _struct.entry_id 1U2A
322
+ _struct.title 'STEM LOOP IIA FROM U2SNRNA OF SACCHAROMYCES CEREVISIAE, NMR, MINIMIZED AVERAGE STRUCTURE'
323
+ _struct.pdbx_model_details ?
324
+ _struct.pdbx_CASP_flag ?
325
+ _struct.pdbx_model_type_details ?
326
+ #
327
+ _struct_keywords.entry_id 1U2A
328
+ _struct_keywords.pdbx_keywords RNA
329
+ _struct_keywords.text 'PRE-MRNA SPLICING, U2SNRNA, U-TURN, RNA-PROTEIN INTERACTIONS, RIBONUCLEIC ACID, RNA'
330
+ #
331
+ _struct_asym.id A
332
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
333
+ _struct_asym.pdbx_modified N
334
+ _struct_asym.entity_id 1
335
+ _struct_asym.details ?
336
+ #
337
+ _struct_ref.id 1
338
+ _struct_ref.entity_id 1
339
+ _struct_ref.db_name PDB
340
+ _struct_ref.db_code 1U2A
341
+ _struct_ref.pdbx_db_accession 1U2A
342
+ _struct_ref.pdbx_db_isoform ?
343
+ _struct_ref.pdbx_seq_one_letter_code ?
344
+ _struct_ref.pdbx_align_begin ?
345
+ #
346
+ _struct_ref_seq.align_id 1
347
+ _struct_ref_seq.ref_id 1
348
+ _struct_ref_seq.pdbx_PDB_id_code 1U2A
349
+ _struct_ref_seq.pdbx_strand_id A
350
+ _struct_ref_seq.seq_align_beg 1
351
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
352
+ _struct_ref_seq.seq_align_end 20
353
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
354
+ _struct_ref_seq.pdbx_db_accession 1U2A
355
+ _struct_ref_seq.db_align_beg 1
356
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
357
+ _struct_ref_seq.db_align_end 20
358
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
359
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
360
+ _struct_ref_seq.pdbx_auth_seq_align_end 20
361
+ #
362
+ _pdbx_struct_assembly.id 1
363
+ _pdbx_struct_assembly.details author_defined_assembly
364
+ _pdbx_struct_assembly.method_details ?
365
+ _pdbx_struct_assembly.oligomeric_details monomeric
366
+ _pdbx_struct_assembly.oligomeric_count 1
367
+ #
368
+ _pdbx_struct_assembly_gen.assembly_id 1
369
+ _pdbx_struct_assembly_gen.oper_expression 1
370
+ _pdbx_struct_assembly_gen.asym_id_list A
371
+ #
372
+ _pdbx_struct_oper_list.id 1
373
+ _pdbx_struct_oper_list.type 'identity operation'
374
+ _pdbx_struct_oper_list.name 1_555
375
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
376
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
377
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
378
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
379
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
380
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
381
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
382
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
383
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
384
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
385
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
386
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
387
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
388
+ #
389
+ _struct_biol.id 1
390
+ #
391
+ loop_
392
+ _struct_conn.id
393
+ _struct_conn.conn_type_id
394
+ _struct_conn.pdbx_leaving_atom_flag
395
+ _struct_conn.pdbx_PDB_id
396
+ _struct_conn.ptnr1_label_asym_id
397
+ _struct_conn.ptnr1_label_comp_id
398
+ _struct_conn.ptnr1_label_seq_id
399
+ _struct_conn.ptnr1_label_atom_id
400
+ _struct_conn.pdbx_ptnr1_label_alt_id
401
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
402
+ _struct_conn.pdbx_ptnr1_standard_comp_id
403
+ _struct_conn.ptnr1_symmetry
404
+ _struct_conn.ptnr2_label_asym_id
405
+ _struct_conn.ptnr2_label_comp_id
406
+ _struct_conn.ptnr2_label_seq_id
407
+ _struct_conn.ptnr2_label_atom_id
408
+ _struct_conn.pdbx_ptnr2_label_alt_id
409
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
410
+ _struct_conn.ptnr1_auth_asym_id
411
+ _struct_conn.ptnr1_auth_comp_id
412
+ _struct_conn.ptnr1_auth_seq_id
413
+ _struct_conn.ptnr2_auth_asym_id
414
+ _struct_conn.ptnr2_auth_comp_id
415
+ _struct_conn.ptnr2_auth_seq_id
416
+ _struct_conn.ptnr2_symmetry
417
+ _struct_conn.pdbx_ptnr3_label_atom_id
418
+ _struct_conn.pdbx_ptnr3_label_seq_id
419
+ _struct_conn.pdbx_ptnr3_label_comp_id
420
+ _struct_conn.pdbx_ptnr3_label_asym_id
421
+ _struct_conn.pdbx_ptnr3_label_alt_id
422
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
423
+ _struct_conn.details
424
+ _struct_conn.pdbx_dist_value
425
+ _struct_conn.pdbx_value_order
426
+ _struct_conn.pdbx_role
427
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 20 N3 ? ? A G 1 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
428
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 20 O2 ? ? A G 1 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
429
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 20 N4 ? ? A G 1 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
430
+ hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 19 N3 ? ? A G 2 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
431
+ hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 19 O2 ? ? A G 2 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
432
+ hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 19 N4 ? ? A G 2 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
433
+ hydrog7 hydrog ? ? A U 3 N3 ? ? ? 1_555 A A 18 N1 ? ? A U 3 A A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
434
+ hydrog8 hydrog ? ? A U 3 O4 ? ? ? 1_555 A A 18 N6 ? ? A U 3 A A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
435
+ hydrog9 hydrog ? ? A C 4 N3 ? ? ? 1_555 A G 17 N1 ? ? A C 4 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
436
+ hydrog10 hydrog ? ? A C 4 N4 ? ? ? 1_555 A G 17 O6 ? ? A C 4 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
437
+ hydrog11 hydrog ? ? A C 4 O2 ? ? ? 1_555 A G 17 N2 ? ? A C 4 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
438
+ hydrog12 hydrog ? ? A A 5 N1 ? ? ? 1_555 A U 16 N3 ? ? A A 5 A U 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
439
+ hydrog13 hydrog ? ? A A 5 N6 ? ? ? 1_555 A U 16 O4 ? ? A A 5 A U 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
440
+ hydrog14 hydrog ? ? A G 6 N1 ? ? ? 1_555 A C 15 N3 ? ? A G 6 A C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
441
+ hydrog15 hydrog ? ? A G 6 N2 ? ? ? 1_555 A C 15 O2 ? ? A G 6 A C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
442
+ hydrog16 hydrog ? ? A G 6 O6 ? ? ? 1_555 A C 15 N4 ? ? A G 6 A C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
443
+ hydrog17 hydrog ? ? A U 7 N3 ? ? ? 1_555 A A 14 N1 ? ? A U 7 A A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
444
+ hydrog18 hydrog ? ? A U 7 O4 ? ? ? 1_555 A A 14 N6 ? ? A U 7 A A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
445
+ hydrog19 hydrog ? ? A G 8 N2 ? ? ? 1_555 A A 13 N7 ? ? A G 8 A A 13 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
446
+ hydrog20 hydrog ? ? A G 8 N3 ? ? ? 1_555 A A 13 N6 ? ? A G 8 A A 13 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
447
+ #
448
+ _struct_conn_type.id hydrog
449
+ _struct_conn_type.criteria ?
450
+ _struct_conn_type.reference ?
451
+ #
452
+ loop_
453
+ _pdbx_validate_close_contact.id
454
+ _pdbx_validate_close_contact.PDB_model_num
455
+ _pdbx_validate_close_contact.auth_atom_id_1
456
+ _pdbx_validate_close_contact.auth_asym_id_1
457
+ _pdbx_validate_close_contact.auth_comp_id_1
458
+ _pdbx_validate_close_contact.auth_seq_id_1
459
+ _pdbx_validate_close_contact.PDB_ins_code_1
460
+ _pdbx_validate_close_contact.label_alt_id_1
461
+ _pdbx_validate_close_contact.auth_atom_id_2
462
+ _pdbx_validate_close_contact.auth_asym_id_2
463
+ _pdbx_validate_close_contact.auth_comp_id_2
464
+ _pdbx_validate_close_contact.auth_seq_id_2
465
+ _pdbx_validate_close_contact.PDB_ins_code_2
466
+ _pdbx_validate_close_contact.label_alt_id_2
467
+ _pdbx_validate_close_contact.dist
468
+ 1 1 O4 A U 3 ? ? H61 A A 18 ? ? 1.38
469
+ 2 1 "O2'" A U 9 ? ? H62 A A 11 ? ? 1.48
470
+ 3 1 O6 A G 1 ? ? H41 A C 20 ? ? 1.52
471
+ 4 1 N1 A A 5 ? ? H3 A U 16 ? ? 1.56
472
+ 5 1 O2 A C 4 ? ? H21 A G 17 ? ? 1.56
473
+ 6 1 H21 A G 2 ? ? O2 A C 19 ? ? 1.57
474
+ 7 1 H21 A G 6 ? ? O2 A C 15 ? ? 1.57
475
+ 8 1 H21 A G 1 ? ? O2 A C 20 ? ? 1.57
476
+ 9 1 H61 A A 5 ? ? O4 A U 16 ? ? 1.59
477
+ #
478
+ _pdbx_nmr_ensemble.entry_id 1U2A
479
+ _pdbx_nmr_ensemble.conformers_calculated_total_number 15
480
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
481
+ _pdbx_nmr_ensemble.conformer_selection_criteria
482
+ ;NOE VIOLATIONS < 0.2A (NOT APPLIED TO PSEUDO-NOES IN THE TERMINAL BASE PAIR), DIHEDRAL VIOL < 2 DEGREES, RMSD BONDS < 0.02A, RMSD ANGLE < 2 DEGREES, RMSD IMPROPER < 2 DEGREES
483
+ ;
484
+ #
485
+ _pdbx_nmr_exptl_sample_conditions.conditions_id 1
486
+ _pdbx_nmr_exptl_sample_conditions.temperature 303
487
+ _pdbx_nmr_exptl_sample_conditions.pressure '1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM UREA'
488
+ _pdbx_nmr_exptl_sample_conditions.pH 7.6
489
+ _pdbx_nmr_exptl_sample_conditions.ionic_strength '75 mM'
490
+ _pdbx_nmr_exptl_sample_conditions.pressure_units atm
491
+ _pdbx_nmr_exptl_sample_conditions.temperature_units K
492
+ #
493
+ loop_
494
+ _pdbx_nmr_exptl.experiment_id
495
+ _pdbx_nmr_exptl.conditions_id
496
+ _pdbx_nmr_exptl.type
497
+ _pdbx_nmr_exptl.solution_id
498
+ 1 1 'NOESY(D2O)' 1
499
+ 2 1 'NOESY(H2O)' 1
500
+ 3 1 DQF-COSY 1
501
+ 4 1 HP-COSY 1
502
+ 5 1 'SPIN-ECHO DIFFERENCE-HMQC' 1
503
+ 6 1 '3D HCCH-TOCSY' 1
504
+ 7 1 '3D HCCH-TOCSY' 1
505
+ #
506
+ _pdbx_nmr_refine.entry_id 1U2A
507
+ _pdbx_nmr_refine.method 'molecular dynamics'
508
+ _pdbx_nmr_refine.details
509
+ 'REFINEMENT WAS DONE USING TORSION ANGLE MOLECULAR DYNAMICS. DETAILS OF THE PROTOCOL CAN BE FOUND IN THE STRUCTURE CITATION ABOVE.'
510
+ _pdbx_nmr_refine.software_ordinal 1
511
+ #
512
+ loop_
513
+ _pdbx_nmr_software.classification
514
+ _pdbx_nmr_software.name
515
+ _pdbx_nmr_software.version
516
+ _pdbx_nmr_software.authors
517
+ _pdbx_nmr_software.ordinal
518
+ refinement X-PLOR 3.851 BRUNGER 1
519
+ 'structure solution' FELIX95 ? ? 2
520
+ 'structure solution' XPLOR 3.851 ? 3
521
+ #
522
+ loop_
523
+ _chem_comp_atom.comp_id
524
+ _chem_comp_atom.atom_id
525
+ _chem_comp_atom.type_symbol
526
+ _chem_comp_atom.pdbx_aromatic_flag
527
+ _chem_comp_atom.pdbx_stereo_config
528
+ _chem_comp_atom.pdbx_ordinal
529
+ A OP3 O N N 1
530
+ A P P N N 2
531
+ A OP1 O N N 3
532
+ A OP2 O N N 4
533
+ A "O5'" O N N 5
534
+ A "C5'" C N N 6
535
+ A "C4'" C N R 7
536
+ A "O4'" O N N 8
537
+ A "C3'" C N S 9
538
+ A "O3'" O N N 10
539
+ A "C2'" C N R 11
540
+ A "O2'" O N N 12
541
+ A "C1'" C N R 13
542
+ A N9 N Y N 14
543
+ A C8 C Y N 15
544
+ A N7 N Y N 16
545
+ A C5 C Y N 17
546
+ A C6 C Y N 18
547
+ A N6 N N N 19
548
+ A N1 N Y N 20
549
+ A C2 C Y N 21
550
+ A N3 N Y N 22
551
+ A C4 C Y N 23
552
+ A HOP3 H N N 24
553
+ A HOP2 H N N 25
554
+ A "H5'" H N N 26
555
+ A "H5''" H N N 27
556
+ A "H4'" H N N 28
557
+ A "H3'" H N N 29
558
+ A "HO3'" H N N 30
559
+ A "H2'" H N N 31
560
+ A "HO2'" H N N 32
561
+ A "H1'" H N N 33
562
+ A H8 H N N 34
563
+ A H61 H N N 35
564
+ A H62 H N N 36
565
+ A H2 H N N 37
566
+ C OP3 O N N 38
567
+ C P P N N 39
568
+ C OP1 O N N 40
569
+ C OP2 O N N 41
570
+ C "O5'" O N N 42
571
+ C "C5'" C N N 43
572
+ C "C4'" C N R 44
573
+ C "O4'" O N N 45
574
+ C "C3'" C N S 46
575
+ C "O3'" O N N 47
576
+ C "C2'" C N R 48
577
+ C "O2'" O N N 49
578
+ C "C1'" C N R 50
579
+ C N1 N N N 51
580
+ C C2 C N N 52
581
+ C O2 O N N 53
582
+ C N3 N N N 54
583
+ C C4 C N N 55
584
+ C N4 N N N 56
585
+ C C5 C N N 57
586
+ C C6 C N N 58
587
+ C HOP3 H N N 59
588
+ C HOP2 H N N 60
589
+ C "H5'" H N N 61
590
+ C "H5''" H N N 62
591
+ C "H4'" H N N 63
592
+ C "H3'" H N N 64
593
+ C "HO3'" H N N 65
594
+ C "H2'" H N N 66
595
+ C "HO2'" H N N 67
596
+ C "H1'" H N N 68
597
+ C H41 H N N 69
598
+ C H42 H N N 70
599
+ C H5 H N N 71
600
+ C H6 H N N 72
601
+ G OP3 O N N 73
602
+ G P P N N 74
603
+ G OP1 O N N 75
604
+ G OP2 O N N 76
605
+ G "O5'" O N N 77
606
+ G "C5'" C N N 78
607
+ G "C4'" C N R 79
608
+ G "O4'" O N N 80
609
+ G "C3'" C N S 81
610
+ G "O3'" O N N 82
611
+ G "C2'" C N R 83
612
+ G "O2'" O N N 84
613
+ G "C1'" C N R 85
614
+ G N9 N Y N 86
615
+ G C8 C Y N 87
616
+ G N7 N Y N 88
617
+ G C5 C Y N 89
618
+ G C6 C N N 90
619
+ G O6 O N N 91
620
+ G N1 N N N 92
621
+ G C2 C N N 93
622
+ G N2 N N N 94
623
+ G N3 N N N 95
624
+ G C4 C Y N 96
625
+ G HOP3 H N N 97
626
+ G HOP2 H N N 98
627
+ G "H5'" H N N 99
628
+ G "H5''" H N N 100
629
+ G "H4'" H N N 101
630
+ G "H3'" H N N 102
631
+ G "HO3'" H N N 103
632
+ G "H2'" H N N 104
633
+ G "HO2'" H N N 105
634
+ G "H1'" H N N 106
635
+ G H8 H N N 107
636
+ G H1 H N N 108
637
+ G H21 H N N 109
638
+ G H22 H N N 110
639
+ U OP3 O N N 111
640
+ U P P N N 112
641
+ U OP1 O N N 113
642
+ U OP2 O N N 114
643
+ U "O5'" O N N 115
644
+ U "C5'" C N N 116
645
+ U "C4'" C N R 117
646
+ U "O4'" O N N 118
647
+ U "C3'" C N S 119
648
+ U "O3'" O N N 120
649
+ U "C2'" C N R 121
650
+ U "O2'" O N N 122
651
+ U "C1'" C N R 123
652
+ U N1 N N N 124
653
+ U C2 C N N 125
654
+ U O2 O N N 126
655
+ U N3 N N N 127
656
+ U C4 C N N 128
657
+ U O4 O N N 129
658
+ U C5 C N N 130
659
+ U C6 C N N 131
660
+ U HOP3 H N N 132
661
+ U HOP2 H N N 133
662
+ U "H5'" H N N 134
663
+ U "H5''" H N N 135
664
+ U "H4'" H N N 136
665
+ U "H3'" H N N 137
666
+ U "HO3'" H N N 138
667
+ U "H2'" H N N 139
668
+ U "HO2'" H N N 140
669
+ U "H1'" H N N 141
670
+ U H3 H N N 142
671
+ U H5 H N N 143
672
+ U H6 H N N 144
673
+ #
674
+ loop_
675
+ _chem_comp_bond.comp_id
676
+ _chem_comp_bond.atom_id_1
677
+ _chem_comp_bond.atom_id_2
678
+ _chem_comp_bond.value_order
679
+ _chem_comp_bond.pdbx_aromatic_flag
680
+ _chem_comp_bond.pdbx_stereo_config
681
+ _chem_comp_bond.pdbx_ordinal
682
+ A OP3 P sing N N 1
683
+ A OP3 HOP3 sing N N 2
684
+ A P OP1 doub N N 3
685
+ A P OP2 sing N N 4
686
+ A P "O5'" sing N N 5
687
+ A OP2 HOP2 sing N N 6
688
+ A "O5'" "C5'" sing N N 7
689
+ A "C5'" "C4'" sing N N 8
690
+ A "C5'" "H5'" sing N N 9
691
+ A "C5'" "H5''" sing N N 10
692
+ A "C4'" "O4'" sing N N 11
693
+ A "C4'" "C3'" sing N N 12
694
+ A "C4'" "H4'" sing N N 13
695
+ A "O4'" "C1'" sing N N 14
696
+ A "C3'" "O3'" sing N N 15
697
+ A "C3'" "C2'" sing N N 16
698
+ A "C3'" "H3'" sing N N 17
699
+ A "O3'" "HO3'" sing N N 18
700
+ A "C2'" "O2'" sing N N 19
701
+ A "C2'" "C1'" sing N N 20
702
+ A "C2'" "H2'" sing N N 21
703
+ A "O2'" "HO2'" sing N N 22
704
+ A "C1'" N9 sing N N 23
705
+ A "C1'" "H1'" sing N N 24
706
+ A N9 C8 sing Y N 25
707
+ A N9 C4 sing Y N 26
708
+ A C8 N7 doub Y N 27
709
+ A C8 H8 sing N N 28
710
+ A N7 C5 sing Y N 29
711
+ A C5 C6 sing Y N 30
712
+ A C5 C4 doub Y N 31
713
+ A C6 N6 sing N N 32
714
+ A C6 N1 doub Y N 33
715
+ A N6 H61 sing N N 34
716
+ A N6 H62 sing N N 35
717
+ A N1 C2 sing Y N 36
718
+ A C2 N3 doub Y N 37
719
+ A C2 H2 sing N N 38
720
+ A N3 C4 sing Y N 39
721
+ C OP3 P sing N N 40
722
+ C OP3 HOP3 sing N N 41
723
+ C P OP1 doub N N 42
724
+ C P OP2 sing N N 43
725
+ C P "O5'" sing N N 44
726
+ C OP2 HOP2 sing N N 45
727
+ C "O5'" "C5'" sing N N 46
728
+ C "C5'" "C4'" sing N N 47
729
+ C "C5'" "H5'" sing N N 48
730
+ C "C5'" "H5''" sing N N 49
731
+ C "C4'" "O4'" sing N N 50
732
+ C "C4'" "C3'" sing N N 51
733
+ C "C4'" "H4'" sing N N 52
734
+ C "O4'" "C1'" sing N N 53
735
+ C "C3'" "O3'" sing N N 54
736
+ C "C3'" "C2'" sing N N 55
737
+ C "C3'" "H3'" sing N N 56
738
+ C "O3'" "HO3'" sing N N 57
739
+ C "C2'" "O2'" sing N N 58
740
+ C "C2'" "C1'" sing N N 59
741
+ C "C2'" "H2'" sing N N 60
742
+ C "O2'" "HO2'" sing N N 61
743
+ C "C1'" N1 sing N N 62
744
+ C "C1'" "H1'" sing N N 63
745
+ C N1 C2 sing N N 64
746
+ C N1 C6 sing N N 65
747
+ C C2 O2 doub N N 66
748
+ C C2 N3 sing N N 67
749
+ C N3 C4 doub N N 68
750
+ C C4 N4 sing N N 69
751
+ C C4 C5 sing N N 70
752
+ C N4 H41 sing N N 71
753
+ C N4 H42 sing N N 72
754
+ C C5 C6 doub N N 73
755
+ C C5 H5 sing N N 74
756
+ C C6 H6 sing N N 75
757
+ G OP3 P sing N N 76
758
+ G OP3 HOP3 sing N N 77
759
+ G P OP1 doub N N 78
760
+ G P OP2 sing N N 79
761
+ G P "O5'" sing N N 80
762
+ G OP2 HOP2 sing N N 81
763
+ G "O5'" "C5'" sing N N 82
764
+ G "C5'" "C4'" sing N N 83
765
+ G "C5'" "H5'" sing N N 84
766
+ G "C5'" "H5''" sing N N 85
767
+ G "C4'" "O4'" sing N N 86
768
+ G "C4'" "C3'" sing N N 87
769
+ G "C4'" "H4'" sing N N 88
770
+ G "O4'" "C1'" sing N N 89
771
+ G "C3'" "O3'" sing N N 90
772
+ G "C3'" "C2'" sing N N 91
773
+ G "C3'" "H3'" sing N N 92
774
+ G "O3'" "HO3'" sing N N 93
775
+ G "C2'" "O2'" sing N N 94
776
+ G "C2'" "C1'" sing N N 95
777
+ G "C2'" "H2'" sing N N 96
778
+ G "O2'" "HO2'" sing N N 97
779
+ G "C1'" N9 sing N N 98
780
+ G "C1'" "H1'" sing N N 99
781
+ G N9 C8 sing Y N 100
782
+ G N9 C4 sing Y N 101
783
+ G C8 N7 doub Y N 102
784
+ G C8 H8 sing N N 103
785
+ G N7 C5 sing Y N 104
786
+ G C5 C6 sing N N 105
787
+ G C5 C4 doub Y N 106
788
+ G C6 O6 doub N N 107
789
+ G C6 N1 sing N N 108
790
+ G N1 C2 sing N N 109
791
+ G N1 H1 sing N N 110
792
+ G C2 N2 sing N N 111
793
+ G C2 N3 doub N N 112
794
+ G N2 H21 sing N N 113
795
+ G N2 H22 sing N N 114
796
+ G N3 C4 sing N N 115
797
+ U OP3 P sing N N 116
798
+ U OP3 HOP3 sing N N 117
799
+ U P OP1 doub N N 118
800
+ U P OP2 sing N N 119
801
+ U P "O5'" sing N N 120
802
+ U OP2 HOP2 sing N N 121
803
+ U "O5'" "C5'" sing N N 122
804
+ U "C5'" "C4'" sing N N 123
805
+ U "C5'" "H5'" sing N N 124
806
+ U "C5'" "H5''" sing N N 125
807
+ U "C4'" "O4'" sing N N 126
808
+ U "C4'" "C3'" sing N N 127
809
+ U "C4'" "H4'" sing N N 128
810
+ U "O4'" "C1'" sing N N 129
811
+ U "C3'" "O3'" sing N N 130
812
+ U "C3'" "C2'" sing N N 131
813
+ U "C3'" "H3'" sing N N 132
814
+ U "O3'" "HO3'" sing N N 133
815
+ U "C2'" "O2'" sing N N 134
816
+ U "C2'" "C1'" sing N N 135
817
+ U "C2'" "H2'" sing N N 136
818
+ U "O2'" "HO2'" sing N N 137
819
+ U "C1'" N1 sing N N 138
820
+ U "C1'" "H1'" sing N N 139
821
+ U N1 C2 sing N N 140
822
+ U N1 C6 sing N N 141
823
+ U C2 O2 doub N N 142
824
+ U C2 N3 sing N N 143
825
+ U N3 C4 sing N N 144
826
+ U N3 H3 sing N N 145
827
+ U C4 O4 doub N N 146
828
+ U C4 C5 sing N N 147
829
+ U C5 C6 doub N N 148
830
+ U C5 H5 sing N N 149
831
+ U C6 H6 sing N N 150
832
+ #
833
+ loop_
834
+ _ndb_struct_conf_na.entry_id
835
+ _ndb_struct_conf_na.feature
836
+ 1U2A 'double helix'
837
+ 1U2A 'a-form double helix'
838
+ 1U2A 'hairpin loop'
839
+ 1U2A 'mismatched base pair'
840
+ #
841
+ loop_
842
+ _ndb_struct_na_base_pair.model_number
843
+ _ndb_struct_na_base_pair.i_label_asym_id
844
+ _ndb_struct_na_base_pair.i_label_comp_id
845
+ _ndb_struct_na_base_pair.i_label_seq_id
846
+ _ndb_struct_na_base_pair.i_symmetry
847
+ _ndb_struct_na_base_pair.j_label_asym_id
848
+ _ndb_struct_na_base_pair.j_label_comp_id
849
+ _ndb_struct_na_base_pair.j_label_seq_id
850
+ _ndb_struct_na_base_pair.j_symmetry
851
+ _ndb_struct_na_base_pair.shear
852
+ _ndb_struct_na_base_pair.stretch
853
+ _ndb_struct_na_base_pair.stagger
854
+ _ndb_struct_na_base_pair.buckle
855
+ _ndb_struct_na_base_pair.propeller
856
+ _ndb_struct_na_base_pair.opening
857
+ _ndb_struct_na_base_pair.pair_number
858
+ _ndb_struct_na_base_pair.pair_name
859
+ _ndb_struct_na_base_pair.i_auth_asym_id
860
+ _ndb_struct_na_base_pair.i_auth_seq_id
861
+ _ndb_struct_na_base_pair.i_PDB_ins_code
862
+ _ndb_struct_na_base_pair.j_auth_asym_id
863
+ _ndb_struct_na_base_pair.j_auth_seq_id
864
+ _ndb_struct_na_base_pair.j_PDB_ins_code
865
+ _ndb_struct_na_base_pair.hbond_type_28
866
+ _ndb_struct_na_base_pair.hbond_type_12
867
+ 1 A G 1 1_555 A C 20 1_555 -0.262 -0.452 0.023 -1.552 -0.800 -2.358 1 A_G1:C20_A A 1 ? A 20 ? 19 1
868
+ 1 A G 2 1_555 A C 19 1_555 -0.447 -0.329 0.050 -0.329 -2.039 1.166 2 A_G2:C19_A A 2 ? A 19 ? 19 1
869
+ 1 A U 3 1_555 A A 18 1_555 -0.322 -0.348 0.007 0.754 -1.304 -8.654 3 A_U3:A18_A A 3 ? A 18 ? 20 1
870
+ 1 A C 4 1_555 A G 17 1_555 0.509 -0.154 -0.021 -0.135 -1.668 4.918 4 A_C4:G17_A A 4 ? A 17 ? 19 1
871
+ 1 A A 5 1_555 A U 16 1_555 -0.020 -0.401 -0.054 -0.535 -0.528 -0.693 5 A_A5:U16_A A 5 ? A 16 ? 20 1
872
+ 1 A G 6 1_555 A C 15 1_555 -0.061 -0.187 -0.045 2.526 -1.199 2.702 6 A_G6:C15_A A 6 ? A 15 ? 19 1
873
+ 1 A U 7 1_555 A A 14 1_555 0.223 -0.518 -1.112 -12.309 -4.259 -3.447 7 A_U7:A14_A A 7 ? A 14 ? 20 1
874
+ 1 A G 8 1_555 A A 13 1_555 6.568 -3.542 1.078 9.797 9.214 -8.878 8 A_G8:A13_A A 8 ? A 13 ? 11 9
875
+ #
876
+ loop_
877
+ _ndb_struct_na_base_pair_step.model_number
878
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
879
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
880
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
881
+ _ndb_struct_na_base_pair_step.i_symmetry_1
882
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
883
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
884
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
885
+ _ndb_struct_na_base_pair_step.j_symmetry_1
886
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
887
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
888
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
889
+ _ndb_struct_na_base_pair_step.i_symmetry_2
890
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
891
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
892
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
893
+ _ndb_struct_na_base_pair_step.j_symmetry_2
894
+ _ndb_struct_na_base_pair_step.shift
895
+ _ndb_struct_na_base_pair_step.slide
896
+ _ndb_struct_na_base_pair_step.rise
897
+ _ndb_struct_na_base_pair_step.tilt
898
+ _ndb_struct_na_base_pair_step.roll
899
+ _ndb_struct_na_base_pair_step.twist
900
+ _ndb_struct_na_base_pair_step.x_displacement
901
+ _ndb_struct_na_base_pair_step.y_displacement
902
+ _ndb_struct_na_base_pair_step.helical_rise
903
+ _ndb_struct_na_base_pair_step.inclination
904
+ _ndb_struct_na_base_pair_step.tip
905
+ _ndb_struct_na_base_pair_step.helical_twist
906
+ _ndb_struct_na_base_pair_step.step_number
907
+ _ndb_struct_na_base_pair_step.step_name
908
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
909
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
910
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
911
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
912
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
913
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
914
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
915
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
916
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
917
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
918
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
919
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
920
+ 1 A G 1 1_555 A C 20 1_555 A G 2 1_555 A C 19 1_555 0.730 -0.911 3.348 -1.764 18.591 31.320 -3.927 -1.405 2.409 31.207 2.961
921
+ 36.345 1 AA_G1G2:C19C20_AA A 1 ? A 20 ? A 2 ? A 19 ?
922
+ 1 A G 2 1_555 A C 19 1_555 A U 3 1_555 A A 18 1_555 -1.183 -0.662 3.450 -1.497 18.874 33.974 -3.352 1.595 2.770 29.622 2.349
923
+ 38.757 2 AA_G2U3:A18C19_AA A 2 ? A 19 ? A 3 ? A 18 ?
924
+ 1 A U 3 1_555 A A 18 1_555 A C 4 1_555 A G 17 1_555 2.012 -1.147 3.357 -0.677 6.915 37.737 -2.603 -3.146 3.071 10.581 1.036
925
+ 38.348 3 AA_U3C4:G17A18_AA A 3 ? A 18 ? A 4 ? A 17 ?
926
+ 1 A C 4 1_555 A G 17 1_555 A A 5 1_555 A U 16 1_555 -1.042 -1.671 3.169 2.114 6.940 27.418 -4.848 2.566 2.590 14.326 -4.365
927
+ 28.344 4 AA_C4A5:U16G17_AA A 4 ? A 17 ? A 5 ? A 16 ?
928
+ 1 A A 5 1_555 A U 16 1_555 A G 6 1_555 A C 15 1_555 0.947 -0.814 3.398 -0.547 11.072 30.127 -3.459 -1.812 2.908 20.451 1.011
929
+ 32.058 5 AA_A5G6:C15U16_AA A 5 ? A 16 ? A 6 ? A 15 ?
930
+ 1 A G 6 1_555 A C 15 1_555 A U 7 1_555 A A 14 1_555 -0.840 -1.802 3.856 5.628 12.520 35.355 -4.503 2.071 2.912 19.721 -8.866
931
+ 37.847 6 AA_G6U7:A14C15_AA A 6 ? A 15 ? A 7 ? A 14 ?
932
+ 1 A U 7 1_555 A A 14 1_555 A G 8 1_555 A A 13 1_555 -0.386 0.345 2.840 -2.158 21.318 53.676 -0.679 0.297 2.797 22.621 2.290
933
+ 57.498 7 AA_U7G8:A13A14_AA A 7 ? A 14 ? A 8 ? A 13 ?
934
+ #
935
+ loop_
936
+ _pdbx_nmr_spectrometer.spectrometer_id
937
+ _pdbx_nmr_spectrometer.model
938
+ _pdbx_nmr_spectrometer.manufacturer
939
+ _pdbx_nmr_spectrometer.field_strength
940
+ 1 OMEGA500 GE 500
941
+ 2 UNITY+600 Varian 600
942
+ #
943
+ _atom_sites.entry_id 1U2A
944
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
945
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
946
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
947
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
948
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
949
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
950
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
951
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
952
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
953
+ _atom_sites.fract_transf_vector[1] 0.00000
954
+ _atom_sites.fract_transf_vector[2] 0.00000
955
+ _atom_sites.fract_transf_vector[3] 0.00000
956
+ #
957
+ loop_
958
+ _atom_type.symbol
959
+ C
960
+ H
961
+ N
962
+ O
963
+ P
964
+ #
965
+ loop_
966
+ _atom_site.group_PDB
967
+ _atom_site.id
968
+ _atom_site.type_symbol
969
+ _atom_site.label_atom_id
970
+ _atom_site.label_alt_id
971
+ _atom_site.label_comp_id
972
+ _atom_site.label_asym_id
973
+ _atom_site.label_entity_id
974
+ _atom_site.label_seq_id
975
+ _atom_site.pdbx_PDB_ins_code
976
+ _atom_site.Cartn_x
977
+ _atom_site.Cartn_y
978
+ _atom_site.Cartn_z
979
+ _atom_site.occupancy
980
+ _atom_site.B_iso_or_equiv
981
+ _atom_site.pdbx_formal_charge
982
+ _atom_site.auth_seq_id
983
+ _atom_site.auth_comp_id
984
+ _atom_site.auth_asym_id
985
+ _atom_site.auth_atom_id
986
+ _atom_site.pdbx_PDB_model_num
987
+ ATOM 1 O OP3 . G A 1 1 ? 27.280 -1.181 9.837 1.00 1.99 ? 1 G A OP3 1
988
+ ATOM 2 P P . G A 1 1 ? 27.248 -2.689 9.327 1.00 1.37 ? 1 G A P 1
989
+ ATOM 3 O OP1 . G A 1 1 ? 28.404 -3.412 9.913 1.00 1.90 ? 1 G A OP1 1
990
+ ATOM 4 O OP2 . G A 1 1 ? 27.057 -2.676 7.854 1.00 1.93 ? 1 G A OP2 1
991
+ ATOM 5 O "O5'" . G A 1 1 ? 25.913 -3.238 10.001 1.00 1.42 ? 1 G A "O5'" 1
992
+ ATOM 6 C "C5'" . G A 1 1 ? 25.586 -4.626 9.961 1.00 1.62 ? 1 G A "C5'" 1
993
+ ATOM 7 C "C4'" . G A 1 1 ? 24.146 -4.834 10.371 1.00 1.65 ? 1 G A "C4'" 1
994
+ ATOM 8 O "O4'" . G A 1 1 ? 24.058 -4.743 11.821 1.00 1.62 ? 1 G A "O4'" 1
995
+ ATOM 9 C "C3'" . G A 1 1 ? 23.167 -3.794 9.840 1.00 1.52 ? 1 G A "C3'" 1
996
+ ATOM 10 O "O3'" . G A 1 1 ? 22.615 -4.196 8.590 1.00 1.64 ? 1 G A "O3'" 1
997
+ ATOM 11 C "C2'" . G A 1 1 ? 22.117 -3.720 10.941 1.00 1.51 ? 1 G A "C2'" 1
998
+ ATOM 12 O "O2'" . G A 1 1 ? 21.213 -4.806 10.858 1.00 1.70 ? 1 G A "O2'" 1
999
+ ATOM 13 C "C1'" . G A 1 1 ? 22.982 -3.899 12.185 1.00 1.52 ? 1 G A "C1'" 1
1000
+ ATOM 14 N N9 . G A 1 1 ? 23.536 -2.655 12.713 1.00 1.34 ? 1 G A N9 1
1001
+ ATOM 15 C C8 . G A 1 1 ? 24.721 -2.061 12.355 1.00 1.23 ? 1 G A C8 1
1002
+ ATOM 16 N N7 . G A 1 1 ? 24.963 -0.959 13.009 1.00 1.10 ? 1 G A N7 1
1003
+ ATOM 17 C C5 . G A 1 1 ? 23.868 -0.813 13.850 1.00 1.13 ? 1 G A C5 1
1004
+ ATOM 18 C C6 . G A 1 1 ? 23.567 0.195 14.801 1.00 1.06 ? 1 G A C6 1
1005
+ ATOM 19 O O6 . G A 1 1 ? 24.230 1.195 15.101 1.00 0.95 ? 1 G A O6 1
1006
+ ATOM 20 N N1 . G A 1 1 ? 22.354 -0.045 15.435 1.00 1.16 ? 1 G A N1 1
1007
+ ATOM 21 C C2 . G A 1 1 ? 21.532 -1.115 15.185 1.00 1.32 ? 1 G A C2 1
1008
+ ATOM 22 N N2 . G A 1 1 ? 20.400 -1.166 15.898 1.00 1.43 ? 1 G A N2 1
1009
+ ATOM 23 N N3 . G A 1 1 ? 21.798 -2.062 14.302 1.00 1.38 ? 1 G A N3 1
1010
+ ATOM 24 C C4 . G A 1 1 ? 22.975 -1.850 13.676 1.00 1.28 ? 1 G A C4 1
1011
+ ATOM 25 H "H5'" . G A 1 1 ? 26.236 -5.177 10.643 1.00 1.68 ? 1 G A "H5'" 1
1012
+ ATOM 26 H "H5''" . G A 1 1 ? 25.725 -5.010 8.952 1.00 1.72 ? 1 G A "H5''" 1
1013
+ ATOM 27 H "H4'" . G A 1 1 ? 23.827 -5.799 9.974 1.00 1.81 ? 1 G A "H4'" 1
1014
+ ATOM 28 H "H3'" . G A 1 1 ? 23.655 -2.836 9.661 1.00 1.39 ? 1 G A "H3'" 1
1015
+ ATOM 29 H "H2'" . G A 1 1 ? 21.616 -2.751 10.934 1.00 1.39 ? 1 G A "H2'" 1
1016
+ ATOM 30 H "HO2'" . G A 1 1 ? 21.291 -5.160 9.971 1.00 1.76 ? 1 G A "HO2'" 1
1017
+ ATOM 31 H "H1'" . G A 1 1 ? 22.443 -4.399 12.991 1.00 1.62 ? 1 G A "H1'" 1
1018
+ ATOM 32 H H8 . G A 1 1 ? 25.386 -2.465 11.606 1.00 1.26 ? 1 G A H8 1
1019
+ ATOM 33 H H1 . G A 1 1 ? 22.057 0.622 16.133 1.00 1.14 ? 1 G A H1 1
1020
+ ATOM 34 H H21 . G A 1 1 ? 20.189 -0.444 16.576 1.00 1.40 ? 1 G A H21 1
1021
+ ATOM 35 H H22 . G A 1 1 ? 19.754 -1.929 15.758 1.00 1.55 ? 1 G A H22 1
1022
+ ATOM 36 H "HO5'" . G A 1 1 ? 26.546 -0.737 9.407 1.00 2.39 ? 1 G A "HO5'" 1
1023
+ ATOM 37 P P . G A 1 2 ? 22.246 -3.087 7.485 1.00 1.57 ? 2 G A P 1
1024
+ ATOM 38 O OP1 . G A 1 2 ? 21.797 -3.789 6.255 1.00 2.19 ? 2 G A OP1 1
1025
+ ATOM 39 O OP2 . G A 1 2 ? 23.381 -2.132 7.413 1.00 1.82 ? 2 G A OP2 1
1026
+ ATOM 40 O "O5'" . G A 1 2 ? 20.995 -2.322 8.111 1.00 1.46 ? 2 G A "O5'" 1
1027
+ ATOM 41 C "C5'" . G A 1 2 ? 19.823 -3.035 8.501 1.00 1.56 ? 2 G A "C5'" 1
1028
+ ATOM 42 C "C4'" . G A 1 2 ? 18.890 -2.129 9.272 1.00 1.47 ? 2 G A "C4'" 1
1029
+ ATOM 43 O "O4'" . G A 1 2 ? 19.426 -1.905 10.604 1.00 1.41 ? 2 G A "O4'" 1
1030
+ ATOM 44 C "C3'" . G A 1 2 ? 18.714 -0.726 8.714 1.00 1.34 ? 2 G A "C3'" 1
1031
+ ATOM 45 O "O3'" . G A 1 2 ? 17.770 -0.703 7.646 1.00 1.41 ? 2 G A "O3'" 1
1032
+ ATOM 46 C "C2'" . G A 1 2 ? 18.240 0.043 9.940 1.00 1.24 ? 2 G A "C2'" 1
1033
+ ATOM 47 O "O2'" . G A 1 2 ? 16.879 -0.229 10.217 1.00 1.32 ? 2 G A "O2'" 1
1034
+ ATOM 48 C "C1'" . G A 1 2 ? 19.099 -0.593 11.033 1.00 1.26 ? 2 G A "C1'" 1
1035
+ ATOM 49 N N9 . G A 1 2 ? 20.342 0.125 11.302 1.00 1.12 ? 2 G A N9 1
1036
+ ATOM 50 C C8 . G A 1 2 ? 21.583 -0.140 10.777 1.00 1.10 ? 2 G A C8 1
1037
+ ATOM 51 N N7 . G A 1 2 ? 22.511 0.666 11.214 1.00 0.98 ? 2 G A N7 1
1038
+ ATOM 52 C C5 . G A 1 2 ? 21.840 1.522 12.079 1.00 0.90 ? 2 G A C5 1
1039
+ ATOM 53 C C6 . G A 1 2 ? 22.322 2.611 12.852 1.00 0.77 ? 2 G A C6 1
1040
+ ATOM 54 O O6 . G A 1 2 ? 23.474 3.052 12.930 1.00 0.69 ? 2 G A O6 1
1041
+ ATOM 55 N N1 . G A 1 2 ? 21.303 3.205 13.589 1.00 0.77 ? 2 G A N1 1
1042
+ ATOM 56 C C2 . G A 1 2 ? 19.989 2.807 13.580 1.00 0.88 ? 2 G A C2 1
1043
+ ATOM 57 N N2 . G A 1 2 ? 19.154 3.504 14.358 1.00 0.89 ? 2 G A N2 1
1044
+ ATOM 58 N N3 . G A 1 2 ? 19.526 1.798 12.861 1.00 0.99 ? 2 G A N3 1
1045
+ ATOM 59 C C4 . G A 1 2 ? 20.500 1.203 12.141 1.00 0.99 ? 2 G A C4 1
1046
+ ATOM 60 H "H5'" . G A 1 2 ? 20.099 -3.883 9.129 1.00 1.63 ? 2 G A "H5'" 1
1047
+ ATOM 61 H "H5''" . G A 1 2 ? 19.305 -3.403 7.617 1.00 1.67 ? 2 G A "H5''" 1
1048
+ ATOM 62 H "H4'" . G A 1 2 ? 17.904 -2.595 9.274 1.00 1.56 ? 2 G A "H4'" 1
1049
+ ATOM 63 H "H3'" . G A 1 2 ? 19.645 -0.335 8.307 1.00 1.29 ? 2 G A "H3'" 1
1050
+ ATOM 64 H "H2'" . G A 1 2 ? 18.445 1.109 9.835 1.00 1.13 ? 2 G A "H2'" 1
1051
+ ATOM 65 H "HO2'" . G A 1 2 ? 16.542 -0.735 9.476 1.00 1.41 ? 2 G A "HO2'" 1
1052
+ ATOM 66 H "H1'" . G A 1 2 ? 18.556 -0.693 11.974 1.00 1.29 ? 2 G A "H1'" 1
1053
+ ATOM 67 H H8 . G A 1 2 ? 21.772 -0.934 10.071 1.00 1.20 ? 2 G A H8 1
1054
+ ATOM 68 H H1 . G A 1 2 ? 21.554 3.991 14.174 1.00 0.70 ? 2 G A H1 1
1055
+ ATOM 69 H H21 . G A 1 2 ? 19.497 4.279 14.909 1.00 0.83 ? 2 G A H21 1
1056
+ ATOM 70 H H22 . G A 1 2 ? 18.176 3.255 14.391 1.00 0.98 ? 2 G A H22 1
1057
+ ATOM 71 P P . U A 1 3 ? 17.904 0.399 6.480 1.00 1.37 ? 3 U A P 1
1058
+ ATOM 72 O OP1 . U A 1 3 ? 17.142 -0.085 5.301 1.00 1.49 ? 3 U A OP1 1
1059
+ ATOM 73 O OP2 . U A 1 3 ? 19.342 0.740 6.334 1.00 1.34 ? 3 U A OP2 1
1060
+ ATOM 74 O "O5'" . U A 1 3 ? 17.155 1.674 7.072 1.00 1.26 ? 3 U A "O5'" 1
1061
+ ATOM 75 C "C5'" . U A 1 3 ? 15.779 1.610 7.440 1.00 1.29 ? 3 U A "C5'" 1
1062
+ ATOM 76 C "C4'" . U A 1 3 ? 15.321 2.950 7.966 1.00 1.19 ? 3 U A "C4'" 1
1063
+ ATOM 77 O "O4'" . U A 1 3 ? 15.779 3.102 9.340 1.00 1.10 ? 3 U A "O4'" 1
1064
+ ATOM 78 C "C3'" . U A 1 3 ? 15.888 4.161 7.239 1.00 1.13 ? 3 U A "C3'" 1
1065
+ ATOM 79 O "O3'" . U A 1 3 ? 15.121 4.499 6.089 1.00 1.25 ? 3 U A "O3'" 1
1066
+ ATOM 80 C "C2'" . U A 1 3 ? 15.842 5.231 8.320 1.00 1.02 ? 3 U A "C2'" 1
1067
+ ATOM 81 O "O2'" . U A 1 3 ? 14.522 5.695 8.534 1.00 1.07 ? 3 U A "O2'" 1
1068
+ ATOM 82 C "C1'" . U A 1 3 ? 16.281 4.415 9.532 1.00 0.97 ? 3 U A "C1'" 1
1069
+ ATOM 83 N N1 . U A 1 3 ? 17.740 4.338 9.690 1.00 0.90 ? 3 U A N1 1
1070
+ ATOM 84 C C2 . U A 1 3 ? 18.368 5.346 10.401 1.00 0.80 ? 3 U A C2 1
1071
+ ATOM 85 O O2 . U A 1 3 ? 17.767 6.285 10.892 1.00 0.77 ? 3 U A O2 1
1072
+ ATOM 86 N N3 . U A 1 3 ? 19.728 5.211 10.514 1.00 0.76 ? 3 U A N3 1
1073
+ ATOM 87 C C4 . U A 1 3 ? 20.506 4.195 10.005 1.00 0.83 ? 3 U A C4 1
1074
+ ATOM 88 O O4 . U A 1 3 ? 21.721 4.211 10.189 1.00 0.81 ? 3 U A O4 1
1075
+ ATOM 89 C C5 . U A 1 3 ? 19.783 3.197 9.284 1.00 0.95 ? 3 U A C5 1
1076
+ ATOM 90 C C6 . U A 1 3 ? 18.459 3.298 9.149 1.00 0.98 ? 3 U A C6 1
1077
+ ATOM 91 H "H5'" . U A 1 3 ? 15.639 0.854 8.214 1.00 1.33 ? 3 U A "H5'" 1
1078
+ ATOM 92 H "H5''" . U A 1 3 ? 15.176 1.346 6.572 1.00 1.39 ? 3 U A "H5''" 1
1079
+ ATOM 93 H "H4'" . U A 1 3 ? 14.236 2.995 7.859 1.00 1.25 ? 3 U A "H4'" 1
1080
+ ATOM 94 H "H3'" . U A 1 3 ? 16.901 3.974 6.883 1.00 1.13 ? 3 U A "H3'" 1
1081
+ ATOM 95 H "H2'" . U A 1 3 ? 16.546 6.036 8.099 1.00 0.98 ? 3 U A "H2'" 1
1082
+ ATOM 96 H "HO2'" . U A 1 3 ? 14.022 5.475 7.748 1.00 1.16 ? 3 U A "HO2'" 1
1083
+ ATOM 97 H "H1'" . U A 1 3 ? 15.855 4.788 10.463 1.00 0.95 ? 3 U A "H1'" 1
1084
+ ATOM 98 H H3 . U A 1 3 ? 20.211 5.939 11.022 1.00 0.69 ? 3 U A H3 1
1085
+ ATOM 99 H H5 . U A 1 3 ? 20.313 2.353 8.843 1.00 1.04 ? 3 U A H5 1
1086
+ ATOM 100 H H6 . U A 1 3 ? 17.929 2.531 8.586 1.00 1.08 ? 3 U A H6 1
1087
+ ATOM 101 P P . C A 1 4 ? 15.853 5.129 4.804 1.00 1.30 ? 4 C A P 1
1088
+ ATOM 102 O OP1 . C A 1 4 ? 14.831 5.372 3.754 1.00 1.43 ? 4 C A OP1 1
1089
+ ATOM 103 O OP2 . C A 1 4 ? 17.033 4.279 4.498 1.00 1.37 ? 4 C A OP2 1
1090
+ ATOM 104 O "O5'" . C A 1 4 ? 16.386 6.537 5.326 1.00 1.17 ? 4 C A "O5'" 1
1091
+ ATOM 105 C "C5'" . C A 1 4 ? 15.516 7.442 6.001 1.00 1.10 ? 4 C A "C5'" 1
1092
+ ATOM 106 C "C4'" . C A 1 4 ? 16.321 8.461 6.772 1.00 0.99 ? 4 C A "C4'" 1
1093
+ ATOM 107 O "O4'" . C A 1 4 ? 17.053 7.793 7.836 1.00 0.93 ? 4 C A "O4'" 1
1094
+ ATOM 108 C "C3'" . C A 1 4 ? 17.401 9.176 5.978 1.00 1.06 ? 4 C A "C3'" 1
1095
+ ATOM 109 O "O3'" . C A 1 4 ? 16.861 10.260 5.231 1.00 1.15 ? 4 C A "O3'" 1
1096
+ ATOM 110 C "C2'" . C A 1 4 ? 18.358 9.624 7.074 1.00 0.98 ? 4 C A "C2'" 1
1097
+ ATOM 111 O "O2'" . C A 1 4 ? 17.850 10.747 7.769 1.00 0.97 ? 4 C A "O2'" 1
1098
+ ATOM 112 C "C1'" . C A 1 4 ? 18.317 8.413 8.007 1.00 0.89 ? 4 C A "C1'" 1
1099
+ ATOM 113 N N1 . C A 1 4 ? 19.368 7.417 7.733 1.00 0.91 ? 4 C A N1 1
1100
+ ATOM 114 C C2 . C A 1 4 ? 20.680 7.698 8.127 1.00 0.87 ? 4 C A C2 1
1101
+ ATOM 115 O O2 . C A 1 4 ? 20.919 8.776 8.689 1.00 0.83 ? 4 C A O2 1
1102
+ ATOM 116 N N3 . C A 1 4 ? 21.653 6.791 7.886 1.00 0.89 ? 4 C A N3 1
1103
+ ATOM 117 C C4 . C A 1 4 ? 21.355 5.639 7.282 1.00 0.98 ? 4 C A C4 1
1104
+ ATOM 118 N N4 . C A 1 4 ? 22.346 4.772 7.071 1.00 1.03 ? 4 C A N4 1
1105
+ ATOM 119 C C5 . C A 1 4 ? 20.027 5.325 6.869 1.00 1.05 ? 4 C A C5 1
1106
+ ATOM 120 C C6 . C A 1 4 ? 19.075 6.236 7.110 1.00 1.00 ? 4 C A C6 1
1107
+ ATOM 121 H "H5'" . C A 1 4 ? 14.875 6.894 6.692 1.00 1.08 ? 4 C A "H5'" 1
1108
+ ATOM 122 H "H5''" . C A 1 4 ? 14.891 7.962 5.276 1.00 1.20 ? 4 C A "H5''" 1
1109
+ ATOM 123 H "H4'" . C A 1 4 ? 15.631 9.226 7.130 1.00 0.96 ? 4 C A "H4'" 1
1110
+ ATOM 124 H "H3'" . C A 1 4 ? 17.874 8.512 5.254 1.00 1.14 ? 4 C A "H3'" 1
1111
+ ATOM 125 H "H2'" . C A 1 4 ? 19.359 9.792 6.672 1.00 1.05 ? 4 C A "H2'" 1
1112
+ ATOM 126 H "HO2'" . C A 1 4 ? 17.037 11.001 7.331 1.00 1.04 ? 4 C A "HO2'" 1
1113
+ ATOM 127 H "H1'" . C A 1 4 ? 18.391 8.702 9.056 1.00 0.84 ? 4 C A "H1'" 1
1114
+ ATOM 128 H H41 . C A 1 4 ? 23.282 5.004 7.372 1.00 1.00 ? 4 C A H41 1
1115
+ ATOM 129 H H42 . C A 1 4 ? 22.165 3.889 6.617 1.00 1.13 ? 4 C A H42 1
1116
+ ATOM 130 H H5 . C A 1 4 ? 19.795 4.380 6.378 1.00 1.15 ? 4 C A H5 1
1117
+ ATOM 131 H H6 . C A 1 4 ? 18.050 6.031 6.799 1.00 1.06 ? 4 C A H6 1
1118
+ ATOM 132 P P . A A 1 5 ? 17.635 10.796 3.928 1.00 1.28 ? 5 A A P 1
1119
+ ATOM 133 O OP1 . A A 1 5 ? 16.719 11.703 3.191 1.00 1.38 ? 5 A A OP1 1
1120
+ ATOM 134 O OP2 . A A 1 5 ? 18.221 9.620 3.233 1.00 1.37 ? 5 A A OP2 1
1121
+ ATOM 135 O "O5'" . A A 1 5 ? 18.827 11.665 4.527 1.00 1.23 ? 5 A A "O5'" 1
1122
+ ATOM 136 C "C5'" . A A 1 5 ? 18.577 12.679 5.498 1.00 1.19 ? 5 A A "C5'" 1
1123
+ ATOM 137 C "C4'" . A A 1 5 ? 19.861 13.391 5.843 1.00 1.21 ? 5 A A "C4'" 1
1124
+ ATOM 138 O "O4'" . A A 1 5 ? 20.618 12.579 6.779 1.00 1.22 ? 5 A A "O4'" 1
1125
+ ATOM 139 C "C3'" . A A 1 5 ? 20.806 13.607 4.672 1.00 1.23 ? 5 A A "C3'" 1
1126
+ ATOM 140 O "O3'" . A A 1 5 ? 20.468 14.788 3.951 1.00 1.26 ? 5 A A "O3'" 1
1127
+ ATOM 141 C "C2'" . A A 1 5 ? 22.164 13.693 5.358 1.00 1.24 ? 5 A A "C2'" 1
1128
+ ATOM 142 O "O2'" . A A 1 5 ? 22.363 14.967 5.940 1.00 1.27 ? 5 A A "O2'" 1
1129
+ ATOM 143 C "C1'" . A A 1 5 ? 21.999 12.663 6.477 1.00 1.21 ? 5 A A "C1'" 1
1130
+ ATOM 144 N N9 . A A 1 5 ? 22.474 11.322 6.133 1.00 1.21 ? 5 A A N9 1
1131
+ ATOM 145 C C8 . A A 1 5 ? 21.744 10.274 5.626 1.00 1.23 ? 5 A A C8 1
1132
+ ATOM 146 N N7 . A A 1 5 ? 22.447 9.184 5.435 1.00 1.24 ? 5 A A N7 1
1133
+ ATOM 147 C C5 . A A 1 5 ? 23.727 9.538 5.838 1.00 1.21 ? 5 A A C5 1
1134
+ ATOM 148 C C6 . A A 1 5 ? 24.937 8.823 5.883 1.00 1.22 ? 5 A A C6 1
1135
+ ATOM 149 N N6 . A A 1 5 ? 25.059 7.547 5.509 1.00 1.25 ? 5 A A N6 1
1136
+ ATOM 150 N N1 . A A 1 5 ? 26.033 9.471 6.335 1.00 1.20 ? 5 A A N1 1
1137
+ ATOM 151 C C2 . A A 1 5 ? 25.910 10.749 6.717 1.00 1.19 ? 5 A A C2 1
1138
+ ATOM 152 N N3 . A A 1 5 ? 24.829 11.526 6.723 1.00 1.19 ? 5 A A N3 1
1139
+ ATOM 153 C C4 . A A 1 5 ? 23.759 10.853 6.267 1.00 1.20 ? 5 A A C4 1
1140
+ ATOM 154 H "H5'" . A A 1 5 ? 18.161 12.231 6.401 1.00 1.17 ? 5 A A "H5'" 1
1141
+ ATOM 155 H "H5''" . A A 1 5 ? 17.866 13.403 5.101 1.00 1.26 ? 5 A A "H5''" 1
1142
+ ATOM 156 H "H4'" . A A 1 5 ? 19.601 14.378 6.228 1.00 1.22 ? 5 A A "H4'" 1
1143
+ ATOM 157 H "H3'" . A A 1 5 ? 20.750 12.788 3.956 1.00 1.25 ? 5 A A "H3'" 1
1144
+ ATOM 158 H "H2'" . A A 1 5 ? 22.963 13.414 4.668 1.00 1.27 ? 5 A A "H2'" 1
1145
+ ATOM 159 H "HO2'" . A A 1 5 ? 21.896 15.596 5.390 1.00 1.43 ? 5 A A "HO2'" 1
1146
+ ATOM 160 H "H1'" . A A 1 5 ? 22.503 12.971 7.393 1.00 1.21 ? 5 A A "H1'" 1
1147
+ ATOM 161 H H8 . A A 1 5 ? 20.690 10.343 5.402 1.00 1.25 ? 5 A A H8 1
1148
+ ATOM 162 H H61 . A A 1 5 ? 25.956 7.080 5.571 1.00 1.25 ? 5 A A H61 1
1149
+ ATOM 163 H H62 . A A 1 5 ? 24.250 7.047 5.171 1.00 1.28 ? 5 A A H62 1
1150
+ ATOM 164 H H2 . A A 1 5 ? 26.826 11.220 7.075 1.00 1.20 ? 5 A A H2 1
1151
+ ATOM 165 P P . G A 1 6 ? 20.415 14.759 2.343 1.00 1.19 ? 6 G A P 1
1152
+ ATOM 166 O OP1 . G A 1 6 ? 19.700 15.978 1.886 1.00 1.27 ? 6 G A OP1 1
1153
+ ATOM 167 O OP2 . G A 1 6 ? 19.925 13.421 1.923 1.00 1.24 ? 6 G A OP2 1
1154
+ ATOM 168 O "O5'" . G A 1 6 ? 21.944 14.887 1.918 1.00 1.16 ? 6 G A "O5'" 1
1155
+ ATOM 169 C "C5'" . G A 1 6 ? 22.668 16.089 2.163 1.00 1.20 ? 6 G A "C5'" 1
1156
+ ATOM 170 C "C4'" . G A 1 6 ? 24.110 15.775 2.481 1.00 1.13 ? 6 G A "C4'" 1
1157
+ ATOM 171 O "O4'" . G A 1 6 ? 24.175 14.670 3.420 1.00 1.17 ? 6 G A "O4'" 1
1158
+ ATOM 172 C "C3'" . G A 1 6 ? 24.956 15.294 1.314 1.00 1.00 ? 6 G A "C3'" 1
1159
+ ATOM 173 O "O3'" . G A 1 6 ? 25.402 16.380 0.507 1.00 1.01 ? 6 G A "O3'" 1
1160
+ ATOM 174 C "C2'" . G A 1 6 ? 26.101 14.585 2.026 1.00 0.98 ? 6 G A "C2'" 1
1161
+ ATOM 175 O "O2'" . G A 1 6 ? 27.031 15.519 2.542 1.00 1.04 ? 6 G A "O2'" 1
1162
+ ATOM 176 C "C1'" . G A 1 6 ? 25.364 13.931 3.195 1.00 1.06 ? 6 G A "C1'" 1
1163
+ ATOM 177 N N9 . G A 1 6 ? 25.006 12.537 2.951 1.00 1.03 ? 6 G A N9 1
1164
+ ATOM 178 C C8 . G A 1 6 ? 23.753 12.027 2.714 1.00 1.09 ? 6 G A C8 1
1165
+ ATOM 179 N N7 . G A 1 6 ? 23.747 10.733 2.544 1.00 1.09 ? 6 G A N7 1
1166
+ ATOM 180 C C5 . G A 1 6 ? 25.082 10.367 2.667 1.00 1.03 ? 6 G A C5 1
1167
+ ATOM 181 C C6 . G A 1 6 ? 25.702 9.092 2.572 1.00 1.03 ? 6 G A C6 1
1168
+ ATOM 182 O O6 . G A 1 6 ? 25.177 7.990 2.365 1.00 1.10 ? 6 G A O6 1
1169
+ ATOM 183 N N1 . G A 1 6 ? 27.079 9.180 2.750 1.00 0.96 ? 6 G A N1 1
1170
+ ATOM 184 C C2 . G A 1 6 ? 27.769 10.340 2.998 1.00 0.90 ? 6 G A C2 1
1171
+ ATOM 185 N N2 . G A 1 6 ? 29.091 10.222 3.149 1.00 0.86 ? 6 G A N2 1
1172
+ ATOM 186 N N3 . G A 1 6 ? 27.205 11.530 3.092 1.00 0.93 ? 6 G A N3 1
1173
+ ATOM 187 C C4 . G A 1 6 ? 25.870 11.471 2.915 1.00 0.98 ? 6 G A C4 1
1174
+ ATOM 188 H "H5'" . G A 1 6 ? 22.223 16.622 3.004 1.00 1.32 ? 6 G A "H5'" 1
1175
+ ATOM 189 H "H5''" . G A 1 6 ? 22.631 16.727 1.281 1.00 1.28 ? 6 G A "H5''" 1
1176
+ ATOM 190 H "H4'" . G A 1 6 ? 24.574 16.689 2.852 1.00 1.18 ? 6 G A "H4'" 1
1177
+ ATOM 191 H "H3'" . G A 1 6 ? 24.396 14.632 0.655 1.00 0.98 ? 6 G A "H3'" 1
1178
+ ATOM 192 H "H2'" . G A 1 6 ? 26.564 13.843 1.373 1.00 0.92 ? 6 G A "H2'" 1
1179
+ ATOM 193 H "HO2'" . G A 1 6 ? 26.804 16.370 2.166 1.00 1.14 ? 6 G A "HO2'" 1
1180
+ ATOM 194 H "H1'" . G A 1 6 ? 25.943 13.973 4.119 1.00 1.10 ? 6 G A "H1'" 1
1181
+ ATOM 195 H H8 . G A 1 6 ? 22.865 12.638 2.661 1.00 1.14 ? 6 G A H8 1
1182
+ ATOM 196 H H1 . G A 1 6 ? 27.614 8.324 2.694 1.00 0.96 ? 6 G A H1 1
1183
+ ATOM 197 H H21 . G A 1 6 ? 29.542 9.319 3.076 1.00 0.86 ? 6 G A H21 1
1184
+ ATOM 198 H H22 . G A 1 6 ? 29.645 11.046 3.334 1.00 0.85 ? 6 G A H22 1
1185
+ ATOM 199 P P . U A 1 7 ? 26.081 16.087 -0.921 1.00 0.96 ? 7 U A P 1
1186
+ ATOM 200 O OP1 . U A 1 7 ? 26.592 17.374 -1.455 1.00 1.07 ? 7 U A OP1 1
1187
+ ATOM 201 O OP2 . U A 1 7 ? 25.114 15.293 -1.720 1.00 1.09 ? 7 U A OP2 1
1188
+ ATOM 202 O "O5'" . U A 1 7 ? 27.325 15.154 -0.574 1.00 0.86 ? 7 U A "O5'" 1
1189
+ ATOM 203 C "C5'" . U A 1 7 ? 28.485 15.681 0.070 1.00 0.85 ? 7 U A "C5'" 1
1190
+ ATOM 204 C "C4'" . U A 1 7 ? 29.704 14.876 -0.316 1.00 0.93 ? 7 U A "C4'" 1
1191
+ ATOM 205 O "O4'" . U A 1 7 ? 29.723 13.655 0.468 1.00 1.09 ? 7 U A "O4'" 1
1192
+ ATOM 206 C "C3'" . U A 1 7 ? 29.740 14.415 -1.766 1.00 0.94 ? 7 U A "C3'" 1
1193
+ ATOM 207 O "O3'" . U A 1 7 ? 30.337 15.405 -2.598 1.00 1.07 ? 7 U A "O3'" 1
1194
+ ATOM 208 C "C2'" . U A 1 7 ? 30.567 13.135 -1.699 1.00 1.16 ? 7 U A "C2'" 1
1195
+ ATOM 209 O "O2'" . U A 1 7 ? 31.952 13.425 -1.673 1.00 1.39 ? 7 U A "O2'" 1
1196
+ ATOM 210 C "C1'" . U A 1 7 ? 30.160 12.574 -0.335 1.00 1.21 ? 7 U A "C1'" 1
1197
+ ATOM 211 N N1 . U A 1 7 ? 29.081 11.577 -0.391 1.00 1.26 ? 7 U A N1 1
1198
+ ATOM 212 C C2 . U A 1 7 ? 29.439 10.245 -0.509 1.00 1.50 ? 7 U A C2 1
1199
+ ATOM 213 O O2 . U A 1 7 ? 30.597 9.872 -0.577 1.00 1.66 ? 7 U A O2 1
1200
+ ATOM 214 N N3 . U A 1 7 ? 28.389 9.363 -0.544 1.00 1.62 ? 7 U A N3 1
1201
+ ATOM 215 C C4 . U A 1 7 ? 27.048 9.666 -0.474 1.00 1.57 ? 7 U A C4 1
1202
+ ATOM 216 O O4 . U A 1 7 ? 26.219 8.755 -0.502 1.00 1.77 ? 7 U A O4 1
1203
+ ATOM 217 C C5 . U A 1 7 ? 26.759 11.062 -0.360 1.00 1.34 ? 7 U A C5 1
1204
+ ATOM 218 C C6 . U A 1 7 ? 27.757 11.951 -0.325 1.00 1.18 ? 7 U A C6 1
1205
+ ATOM 219 H "H5'" . U A 1 7 ? 28.356 15.640 1.152 1.00 0.90 ? 7 U A "H5'" 1
1206
+ ATOM 220 H "H5''" . U A 1 7 ? 28.636 16.717 -0.230 1.00 0.91 ? 7 U A "H5''" 1
1207
+ ATOM 221 H "H4'" . U A 1 7 ? 30.579 15.508 -0.163 1.00 1.04 ? 7 U A "H4'" 1
1208
+ ATOM 222 H "H3'" . U A 1 7 ? 28.739 14.248 -2.161 1.00 0.83 ? 7 U A "H3'" 1
1209
+ ATOM 223 H "H2'" . U A 1 7 ? 30.293 12.457 -2.510 1.00 1.20 ? 7 U A "H2'" 1
1210
+ ATOM 224 H "HO2'" . U A 1 7 ? 32.043 14.350 -1.904 1.00 1.36 ? 7 U A "HO2'" 1
1211
+ ATOM 225 H "H1'" . U A 1 7 ? 31.005 12.120 0.185 1.00 1.42 ? 7 U A "H1'" 1
1212
+ ATOM 226 H H3 . U A 1 7 ? 28.629 8.388 -0.643 1.00 1.81 ? 7 U A H3 1
1213
+ ATOM 227 H H5 . U A 1 7 ? 25.725 11.401 -0.302 1.00 1.37 ? 7 U A H5 1
1214
+ ATOM 228 H H6 . U A 1 7 ? 27.514 13.011 -0.241 1.00 1.06 ? 7 U A H6 1
1215
+ ATOM 229 P P . G A 1 8 ? 29.525 15.990 -3.858 1.00 1.17 ? 8 G A P 1
1216
+ ATOM 230 O OP1 . G A 1 8 ? 30.124 17.298 -4.227 1.00 1.56 ? 8 G A OP1 1
1217
+ ATOM 231 O OP2 . G A 1 8 ? 28.074 15.910 -3.548 1.00 1.05 ? 8 G A OP2 1
1218
+ ATOM 232 O "O5'" . G A 1 8 ? 29.838 14.952 -5.026 1.00 1.19 ? 8 G A "O5'" 1
1219
+ ATOM 233 C "C5'" . G A 1 8 ? 31.150 14.420 -5.206 1.00 1.30 ? 8 G A "C5'" 1
1220
+ ATOM 234 C "C4'" . G A 1 8 ? 31.079 13.087 -5.914 1.00 1.20 ? 8 G A "C4'" 1
1221
+ ATOM 235 O "O4'" . G A 1 8 ? 30.710 12.063 -4.951 1.00 1.16 ? 8 G A "O4'" 1
1222
+ ATOM 236 C "C3'" . G A 1 8 ? 30.028 12.995 -7.012 1.00 1.07 ? 8 G A "C3'" 1
1223
+ ATOM 237 O "O3'" . G A 1 8 ? 30.550 13.442 -8.259 1.00 1.22 ? 8 G A "O3'" 1
1224
+ ATOM 238 C "C2'" . G A 1 8 ? 29.675 11.512 -7.017 1.00 1.01 ? 8 G A "C2'" 1
1225
+ ATOM 239 O "O2'" . G A 1 8 ? 30.647 10.755 -7.714 1.00 1.20 ? 8 G A "O2'" 1
1226
+ ATOM 240 C "C1'" . G A 1 8 ? 29.771 11.175 -5.529 1.00 1.02 ? 8 G A "C1'" 1
1227
+ ATOM 241 N N9 . G A 1 8 ? 28.510 11.312 -4.807 1.00 0.89 ? 8 G A N9 1
1228
+ ATOM 242 C C8 . G A 1 8 ? 27.957 12.472 -4.324 1.00 0.87 ? 8 G A C8 1
1229
+ ATOM 243 N N7 . G A 1 8 ? 26.820 12.287 -3.712 1.00 0.90 ? 8 G A N7 1
1230
+ ATOM 244 C C5 . G A 1 8 ? 26.606 10.918 -3.797 1.00 0.93 ? 8 G A C5 1
1231
+ ATOM 245 C C6 . G A 1 8 ? 25.533 10.124 -3.312 1.00 1.09 ? 8 G A C6 1
1232
+ ATOM 246 O O6 . G A 1 8 ? 24.526 10.482 -2.691 1.00 1.22 ? 8 G A O6 1
1233
+ ATOM 247 N N1 . G A 1 8 ? 25.715 8.780 -3.617 1.00 1.22 ? 8 G A N1 1
1234
+ ATOM 248 C C2 . G A 1 8 ? 26.788 8.264 -4.298 1.00 1.22 ? 8 G A C2 1
1235
+ ATOM 249 N N2 . G A 1 8 ? 26.780 6.941 -4.493 1.00 1.44 ? 8 G A N2 1
1236
+ ATOM 250 N N3 . G A 1 8 ? 27.795 8.991 -4.754 1.00 1.09 ? 8 G A N3 1
1237
+ ATOM 251 C C4 . G A 1 8 ? 27.639 10.301 -4.470 1.00 0.94 ? 8 G A C4 1
1238
+ ATOM 252 H "H5'" . G A 1 8 ? 31.630 14.286 -4.236 1.00 1.43 ? 8 G A "H5'" 1
1239
+ ATOM 253 H "H5''" . G A 1 8 ? 31.747 15.107 -5.805 1.00 1.44 ? 8 G A "H5''" 1
1240
+ ATOM 254 H "H4'" . G A 1 8 ? 32.046 12.914 -6.388 1.00 1.34 ? 8 G A "H4'" 1
1241
+ ATOM 255 H "H3'" . G A 1 8 ? 29.168 13.630 -6.799 1.00 1.01 ? 8 G A "H3'" 1
1242
+ ATOM 256 H "H2'" . G A 1 8 ? 28.665 11.357 -7.400 1.00 0.94 ? 8 G A "H2'" 1
1243
+ ATOM 257 H "HO2'" . G A 1 8 ? 30.443 10.813 -8.649 1.00 1.33 ? 8 G A "HO2'" 1
1244
+ ATOM 258 H "H1'" . G A 1 8 ? 30.146 10.164 -5.362 1.00 1.16 ? 8 G A "H1'" 1
1245
+ ATOM 259 H H8 . G A 1 8 ? 28.418 13.442 -4.440 1.00 0.95 ? 8 G A H8 1
1246
+ ATOM 260 H H1 . G A 1 8 ? 25.001 8.135 -3.312 1.00 1.38 ? 8 G A H1 1
1247
+ ATOM 261 H H21 . G A 1 8 ? 26.017 6.377 -4.148 1.00 1.58 ? 8 G A H21 1
1248
+ ATOM 262 H H22 . G A 1 8 ? 27.542 6.501 -4.989 1.00 1.51 ? 8 G A H22 1
1249
+ ATOM 263 P P . U A 1 9 ? 29.563 13.659 -9.510 1.00 1.32 ? 9 U A P 1
1250
+ ATOM 264 O OP1 . U A 1 9 ? 30.122 14.738 -10.364 1.00 1.58 ? 9 U A OP1 1
1251
+ ATOM 265 O OP2 . U A 1 9 ? 28.179 13.784 -8.983 1.00 1.93 ? 9 U A OP2 1
1252
+ ATOM 266 O "O5'" . U A 1 9 ? 29.662 12.288 -10.315 1.00 1.15 ? 9 U A "O5'" 1
1253
+ ATOM 267 C "C5'" . U A 1 9 ? 30.881 11.893 -10.938 1.00 1.16 ? 9 U A "C5'" 1
1254
+ ATOM 268 C "C4'" . U A 1 9 ? 30.714 10.550 -11.607 1.00 1.05 ? 9 U A "C4'" 1
1255
+ ATOM 269 O "O4'" . U A 1 9 ? 30.498 9.540 -10.581 1.00 1.03 ? 9 U A "O4'" 1
1256
+ ATOM 270 C "C3'" . U A 1 9 ? 29.511 10.428 -12.533 1.00 0.99 ? 9 U A "C3'" 1
1257
+ ATOM 271 O "O3'" . U A 1 9 ? 29.822 10.850 -13.857 1.00 1.10 ? 9 U A "O3'" 1
1258
+ ATOM 272 C "C2'" . U A 1 9 ? 29.193 8.942 -12.465 1.00 1.04 ? 9 U A "C2'" 1
1259
+ ATOM 273 O "O2'" . U A 1 9 ? 30.095 8.200 -13.264 1.00 1.23 ? 9 U A "O2'" 1
1260
+ ATOM 274 C "C1'" . U A 1 9 ? 29.476 8.651 -10.992 1.00 0.98 ? 9 U A "C1'" 1
1261
+ ATOM 275 N N1 . U A 1 9 ? 28.313 8.842 -10.112 1.00 0.89 ? 9 U A N1 1
1262
+ ATOM 276 C C2 . U A 1 9 ? 27.643 7.713 -9.677 1.00 0.94 ? 9 U A C2 1
1263
+ ATOM 277 O O2 . U A 1 9 ? 27.974 6.585 -9.992 1.00 1.04 ? 9 U A O2 1
1264
+ ATOM 278 N N3 . U A 1 9 ? 26.570 7.954 -8.857 1.00 0.97 ? 9 U A N3 1
1265
+ ATOM 279 C C4 . U A 1 9 ? 26.106 9.180 -8.437 1.00 0.97 ? 9 U A C4 1
1266
+ ATOM 280 O O4 . U A 1 9 ? 25.131 9.233 -7.688 1.00 1.09 ? 9 U A O4 1
1267
+ ATOM 281 C C5 . U A 1 9 ? 26.849 10.297 -8.931 1.00 0.92 ? 9 U A C5 1
1268
+ ATOM 282 C C6 . U A 1 9 ? 27.902 10.100 -9.731 1.00 0.89 ? 9 U A C6 1
1269
+ ATOM 283 H "H5'" . U A 1 9 ? 31.671 11.825 -10.189 1.00 1.42 ? 9 U A "H5'" 1
1270
+ ATOM 284 H "H5''" . U A 1 9 ? 31.168 12.628 -11.688 1.00 1.59 ? 9 U A "H5''" 1
1271
+ ATOM 285 H "H4'" . U A 1 9 ? 31.601 10.371 -12.215 1.00 1.20 ? 9 U A "H4'" 1
1272
+ ATOM 286 H "H3'" . U A 1 9 ? 28.681 11.051 -12.201 1.00 0.98 ? 9 U A "H3'" 1
1273
+ ATOM 287 H "H2'" . U A 1 9 ? 28.148 8.756 -12.721 1.00 1.08 ? 9 U A "H2'" 1
1274
+ ATOM 288 H "HO2'" . U A 1 9 ? 30.351 8.771 -13.991 1.00 1.26 ? 9 U A "HO2'" 1
1275
+ ATOM 289 H "H1'" . U A 1 9 ? 29.854 7.639 -10.838 1.00 1.09 ? 9 U A "H1'" 1
1276
+ ATOM 290 H H3 . U A 1 9 ? 26.067 7.142 -8.530 1.00 1.08 ? 9 U A H3 1
1277
+ ATOM 291 H H5 . U A 1 9 ? 26.556 11.311 -8.656 1.00 1.01 ? 9 U A H5 1
1278
+ ATOM 292 H H6 . U A 1 9 ? 28.455 10.966 -10.093 1.00 0.95 ? 9 U A H6 1
1279
+ ATOM 293 P P . A A 1 10 ? 28.716 11.627 -14.729 1.00 1.18 ? 10 A A P 1
1280
+ ATOM 294 O OP1 . A A 1 10 ? 29.333 12.000 -16.028 1.00 1.30 ? 10 A A OP1 1
1281
+ ATOM 295 O OP2 . A A 1 10 ? 28.125 12.683 -13.868 1.00 1.25 ? 10 A A OP2 1
1282
+ ATOM 296 O "O5'" . A A 1 10 ? 27.595 10.528 -15.005 1.00 1.19 ? 10 A A "O5'" 1
1283
+ ATOM 297 C "C5'" . A A 1 10 ? 26.377 10.873 -15.667 1.00 1.33 ? 10 A A "C5'" 1
1284
+ ATOM 298 C "C4'" . A A 1 10 ? 25.603 9.625 -16.022 1.00 1.40 ? 10 A A "C4'" 1
1285
+ ATOM 299 O "O4'" . A A 1 10 ? 26.361 8.879 -17.011 1.00 1.48 ? 10 A A "O4'" 1
1286
+ ATOM 300 C "C3'" . A A 1 10 ? 25.363 8.658 -14.868 1.00 1.32 ? 10 A A "C3'" 1
1287
+ ATOM 301 O "O3'" . A A 1 10 ? 24.125 8.957 -14.223 1.00 1.38 ? 10 A A "O3'" 1
1288
+ ATOM 302 C "C2'" . A A 1 10 ? 25.361 7.289 -15.546 1.00 1.43 ? 10 A A "C2'" 1
1289
+ ATOM 303 O "O2'" . A A 1 10 ? 24.092 6.993 -16.096 1.00 1.62 ? 10 A A "O2'" 1
1290
+ ATOM 304 C "C1'" . A A 1 10 ? 26.349 7.502 -16.694 1.00 1.51 ? 10 A A "C1'" 1
1291
+ ATOM 305 N N9 . A A 1 10 ? 27.723 7.093 -16.397 1.00 1.46 ? 10 A A N9 1
1292
+ ATOM 306 C C8 . A A 1 10 ? 28.866 7.833 -16.579 1.00 1.43 ? 10 A A C8 1
1293
+ ATOM 307 N N7 . A A 1 10 ? 29.964 7.201 -16.244 1.00 1.47 ? 10 A A N7 1
1294
+ ATOM 308 C C5 . A A 1 10 ? 29.516 5.963 -15.807 1.00 1.49 ? 10 A A C5 1
1295
+ ATOM 309 C C6 . A A 1 10 ? 30.193 4.832 -15.318 1.00 1.56 ? 10 A A C6 1
1296
+ ATOM 310 N N6 . A A 1 10 ? 31.518 4.761 -15.186 1.00 1.64 ? 10 A A N6 1
1297
+ ATOM 311 N N1 . A A 1 10 ? 29.452 3.761 -14.964 1.00 1.61 ? 10 A A N1 1
1298
+ ATOM 312 C C2 . A A 1 10 ? 28.122 3.829 -15.097 1.00 1.61 ? 10 A A C2 1
1299
+ ATOM 313 N N3 . A A 1 10 ? 27.370 4.833 -15.550 1.00 1.57 ? 10 A A N3 1
1300
+ ATOM 314 C C4 . A A 1 10 ? 28.137 5.883 -15.891 1.00 1.49 ? 10 A A C4 1
1301
+ ATOM 315 H "H5'" . A A 1 10 ? 26.599 11.428 -16.579 1.00 1.43 ? 10 A A "H5'" 1
1302
+ ATOM 316 H "H5''" . A A 1 10 ? 25.765 11.494 -15.014 1.00 1.34 ? 10 A A "H5''" 1
1303
+ ATOM 317 H "H4'" . A A 1 10 ? 24.619 9.939 -16.375 1.00 1.53 ? 10 A A "H4'" 1
1304
+ ATOM 318 H "H3'" . A A 1 10 ? 26.131 8.747 -14.101 1.00 1.19 ? 10 A A "H3'" 1
1305
+ ATOM 319 H "H2'" . A A 1 10 ? 25.709 6.519 -14.857 1.00 1.36 ? 10 A A "H2'" 1
1306
+ ATOM 320 H "HO2'" . A A 1 10 ? 23.560 6.647 -15.377 1.00 1.56 ? 10 A A "HO2'" 1
1307
+ ATOM 321 H "H1'" . A A 1 10 ? 26.036 6.976 -17.597 1.00 1.67 ? 10 A A "H1'" 1
1308
+ ATOM 322 H H8 . A A 1 10 ? 28.860 8.843 -16.962 1.00 1.43 ? 10 A A H8 1
1309
+ ATOM 323 H H61 . A A 1 10 ? 31.942 3.919 -14.823 1.00 1.71 ? 10 A A H61 1
1310
+ ATOM 324 H H62 . A A 1 10 ? 32.093 5.549 -15.445 1.00 1.64 ? 10 A A H62 1
1311
+ ATOM 325 H H2 . A A 1 10 ? 27.576 2.939 -14.785 1.00 1.69 ? 10 A A H2 1
1312
+ ATOM 326 P P . A A 1 11 ? 23.636 8.074 -12.969 1.00 1.38 ? 11 A A P 1
1313
+ ATOM 327 O OP1 . A A 1 11 ? 22.254 8.496 -12.627 1.00 1.75 ? 11 A A OP1 1
1314
+ ATOM 328 O OP2 . A A 1 11 ? 24.700 8.139 -11.935 1.00 1.45 ? 11 A A OP2 1
1315
+ ATOM 329 O "O5'" . A A 1 11 ? 23.581 6.588 -13.546 1.00 1.49 ? 11 A A "O5'" 1
1316
+ ATOM 330 C "C5'" . A A 1 11 ? 22.661 5.621 -13.034 1.00 1.46 ? 11 A A "C5'" 1
1317
+ ATOM 331 C "C4'" . A A 1 11 ? 23.395 4.600 -12.197 1.00 1.35 ? 11 A A "C4'" 1
1318
+ ATOM 332 O "O4'" . A A 1 11 ? 24.611 4.220 -12.888 1.00 1.33 ? 11 A A "O4'" 1
1319
+ ATOM 333 C "C3'" . A A 1 11 ? 23.879 5.082 -10.841 1.00 1.15 ? 11 A A "C3'" 1
1320
+ ATOM 334 O "O3'" . A A 1 11 ? 22.851 4.999 -9.856 1.00 1.23 ? 11 A A "O3'" 1
1321
+ ATOM 335 C "C2'" . A A 1 11 ? 25.023 4.123 -10.545 1.00 1.08 ? 11 A A "C2'" 1
1322
+ ATOM 336 O "O2'" . A A 1 11 ? 24.540 2.894 -10.034 1.00 1.22 ? 11 A A "O2'" 1
1323
+ ATOM 337 C "C1'" . A A 1 11 ? 25.600 3.876 -11.940 1.00 1.17 ? 11 A A "C1'" 1
1324
+ ATOM 338 N N9 . A A 1 11 ? 26.800 4.667 -12.205 1.00 1.08 ? 11 A A N9 1
1325
+ ATOM 339 C C8 . A A 1 11 ? 26.886 5.960 -12.654 1.00 1.08 ? 11 A A C8 1
1326
+ ATOM 340 N N7 . A A 1 11 ? 28.115 6.396 -12.772 1.00 1.13 ? 11 A A N7 1
1327
+ ATOM 341 C C5 . A A 1 11 ? 28.891 5.316 -12.377 1.00 1.14 ? 11 A A C5 1
1328
+ ATOM 342 C C6 . A A 1 11 ? 30.281 5.135 -12.273 1.00 1.30 ? 11 A A C6 1
1329
+ ATOM 343 N N6 . A A 1 11 ? 31.175 6.081 -12.565 1.00 1.45 ? 11 A A N6 1
1330
+ ATOM 344 N N1 . A A 1 11 ? 30.727 3.932 -11.852 1.00 1.38 ? 11 A A N1 1
1331
+ ATOM 345 C C2 . A A 1 11 ? 29.828 2.984 -11.555 1.00 1.32 ? 11 A A C2 1
1332
+ ATOM 346 N N3 . A A 1 11 ? 28.502 3.036 -11.608 1.00 1.21 ? 11 A A N3 1
1333
+ ATOM 347 C C4 . A A 1 11 ? 28.093 4.243 -12.031 1.00 1.11 ? 11 A A C4 1
1334
+ ATOM 348 H "H5'" . A A 1 11 ? 22.162 5.114 -13.862 1.00 1.72 ? 11 A A "H5'" 1
1335
+ ATOM 349 H "H5''" . A A 1 11 ? 21.910 6.112 -12.416 1.00 1.44 ? 11 A A "H5''" 1
1336
+ ATOM 350 H "H4'" . A A 1 11 ? 22.725 3.763 -12.008 1.00 1.48 ? 11 A A "H4'" 1
1337
+ ATOM 351 H "H3'" . A A 1 11 ? 24.197 6.123 -10.868 1.00 1.09 ? 11 A A "H3'" 1
1338
+ ATOM 352 H "H2'" . A A 1 11 ? 25.754 4.594 -9.887 1.00 0.95 ? 11 A A "H2'" 1
1339
+ ATOM 353 H "HO2'" . A A 1 11 ? 23.584 2.964 -10.014 1.00 1.27 ? 11 A A "HO2'" 1
1340
+ ATOM 354 H "H1'" . A A 1 11 ? 25.847 2.827 -12.102 1.00 1.31 ? 11 A A "H1'" 1
1341
+ ATOM 355 H H8 . A A 1 11 ? 26.021 6.562 -12.886 1.00 1.14 ? 11 A A H8 1
1342
+ ATOM 356 H H61 . A A 1 11 ? 32.163 5.895 -12.470 1.00 1.61 ? 11 A A H61 1
1343
+ ATOM 357 H H62 . A A 1 11 ? 30.850 6.989 -12.881 1.00 1.46 ? 11 A A H62 1
1344
+ ATOM 358 H H2 . A A 1 11 ? 30.242 2.032 -11.226 1.00 1.45 ? 11 A A H2 1
1345
+ ATOM 359 P P . C A 1 12 ? 22.520 6.272 -8.927 1.00 1.20 ? 12 C A P 1
1346
+ ATOM 360 O OP1 . C A 1 12 ? 21.488 5.871 -7.938 1.00 1.46 ? 12 C A OP1 1
1347
+ ATOM 361 O OP2 . C A 1 12 ? 22.262 7.422 -9.831 1.00 1.25 ? 12 C A OP2 1
1348
+ ATOM 362 O "O5'" . C A 1 12 ? 23.882 6.560 -8.148 1.00 1.13 ? 12 C A "O5'" 1
1349
+ ATOM 363 C "C5'" . C A 1 12 ? 24.236 5.818 -6.980 1.00 1.30 ? 12 C A "C5'" 1
1350
+ ATOM 364 C "C4'" . C A 1 12 ? 24.721 4.441 -7.369 1.00 1.22 ? 12 C A "C4'" 1
1351
+ ATOM 365 O "O4'" . C A 1 12 ? 25.882 4.559 -8.213 1.00 1.10 ? 12 C A "O4'" 1
1352
+ ATOM 366 C "C3'" . C A 1 12 ? 25.236 3.556 -6.248 1.00 1.16 ? 12 C A "C3'" 1
1353
+ ATOM 367 O "O3'" . C A 1 12 ? 24.163 2.959 -5.525 1.00 1.32 ? 12 C A "O3'" 1
1354
+ ATOM 368 C "C2'" . C A 1 12 ? 26.088 2.525 -6.996 1.00 1.08 ? 12 C A "C2'" 1
1355
+ ATOM 369 O "O2'" . C A 1 12 ? 25.295 1.446 -7.456 1.00 1.22 ? 12 C A "O2'" 1
1356
+ ATOM 370 C "C1'" . C A 1 12 ? 26.560 3.320 -8.221 1.00 1.04 ? 12 C A "C1'" 1
1357
+ ATOM 371 N N1 . C A 1 12 ? 28.008 3.589 -8.255 1.00 0.97 ? 12 C A N1 1
1358
+ ATOM 372 C C2 . C A 1 12 ? 28.882 2.549 -8.584 1.00 1.04 ? 12 C A C2 1
1359
+ ATOM 373 O O2 . C A 1 12 ? 28.418 1.424 -8.819 1.00 1.14 ? 12 C A O2 1
1360
+ ATOM 374 N N3 . C A 1 12 ? 30.211 2.797 -8.638 1.00 1.10 ? 12 C A N3 1
1361
+ ATOM 375 C C4 . C A 1 12 ? 30.672 4.022 -8.379 1.00 1.09 ? 12 C A C4 1
1362
+ ATOM 376 N N4 . C A 1 12 ? 31.988 4.223 -8.456 1.00 1.24 ? 12 C A N4 1
1363
+ ATOM 377 C C5 . C A 1 12 ? 29.804 5.097 -8.031 1.00 1.03 ? 12 C A C5 1
1364
+ ATOM 378 C C6 . C A 1 12 ? 28.492 4.836 -7.978 1.00 0.97 ? 12 C A C6 1
1365
+ ATOM 379 H "H5'" . C A 1 12 ? 23.368 5.721 -6.326 1.00 1.48 ? 12 C A "H5'" 1
1366
+ ATOM 380 H "H5''" . C A 1 12 ? 25.030 6.334 -6.442 1.00 1.45 ? 12 C A "H5''" 1
1367
+ ATOM 381 H "H4'" . C A 1 12 ? 23.892 3.913 -7.840 1.00 1.34 ? 12 C A "H4'" 1
1368
+ ATOM 382 H "H3'" . C A 1 12 ? 25.811 4.127 -5.520 1.00 1.11 ? 12 C A "H3'" 1
1369
+ ATOM 383 H "H2'" . C A 1 12 ? 26.928 2.196 -6.379 1.00 1.02 ? 12 C A "H2'" 1
1370
+ ATOM 384 H "HO2'" . C A 1 12 ? 24.965 1.683 -8.324 1.00 1.72 ? 12 C A "HO2'" 1
1371
+ ATOM 385 H "H1'" . C A 1 12 ? 26.288 2.823 -9.158 1.00 1.12 ? 12 C A "H1'" 1
1372
+ ATOM 386 H H41 . C A 1 12 ? 32.595 3.457 -8.710 1.00 1.35 ? 12 C A H41 1
1373
+ ATOM 387 H H42 . C A 1 12 ? 32.375 5.136 -8.268 1.00 1.30 ? 12 C A H42 1
1374
+ ATOM 388 H H5 . C A 1 12 ? 30.193 6.093 -7.819 1.00 1.11 ? 12 C A H5 1
1375
+ ATOM 389 H H6 . C A 1 12 ? 27.800 5.635 -7.710 1.00 1.02 ? 12 C A H6 1
1376
+ ATOM 390 P P . A A 1 13 ? 24.311 2.699 -3.945 1.00 1.42 ? 13 A A P 1
1377
+ ATOM 391 O OP1 . A A 1 13 ? 23.100 1.981 -3.473 1.00 1.64 ? 13 A A OP1 1
1378
+ ATOM 392 O OP2 . A A 1 13 ? 24.692 3.989 -3.312 1.00 1.82 ? 13 A A OP2 1
1379
+ ATOM 393 O "O5'" . A A 1 13 ? 25.558 1.713 -3.829 1.00 1.34 ? 13 A A "O5'" 1
1380
+ ATOM 394 C "C5'" . A A 1 13 ? 25.583 0.472 -4.533 1.00 1.35 ? 13 A A "C5'" 1
1381
+ ATOM 395 C "C4'" . A A 1 13 ? 26.999 -0.051 -4.614 1.00 1.20 ? 13 A A "C4'" 1
1382
+ ATOM 396 O "O4'" . A A 1 13 ? 27.716 0.707 -5.628 1.00 1.11 ? 13 A A "O4'" 1
1383
+ ATOM 397 C "C3'" . A A 1 13 ? 27.818 0.104 -3.338 1.00 1.11 ? 13 A A "C3'" 1
1384
+ ATOM 398 O "O3'" . A A 1 13 ? 27.700 -1.045 -2.506 1.00 1.18 ? 13 A A "O3'" 1
1385
+ ATOM 399 C "C2'" . A A 1 13 ? 29.237 0.294 -3.862 1.00 1.02 ? 13 A A "C2'" 1
1386
+ ATOM 400 O "O2'" . A A 1 13 ? 29.821 -0.943 -4.221 1.00 1.10 ? 13 A A "O2'" 1
1387
+ ATOM 401 C "C1'" . A A 1 13 ? 28.978 1.104 -5.129 1.00 1.01 ? 13 A A "C1'" 1
1388
+ ATOM 402 N N9 . A A 1 13 ? 28.955 2.548 -4.905 1.00 0.94 ? 13 A A N9 1
1389
+ ATOM 403 C C8 . A A 1 13 ? 27.903 3.325 -4.491 1.00 0.97 ? 13 A A C8 1
1390
+ ATOM 404 N N7 . A A 1 13 ? 28.191 4.600 -4.401 1.00 0.93 ? 13 A A N7 1
1391
+ ATOM 405 C C5 . A A 1 13 ? 29.526 4.666 -4.772 1.00 0.86 ? 13 A A C5 1
1392
+ ATOM 406 C C6 . A A 1 13 ? 30.428 5.738 -4.883 1.00 0.85 ? 13 A A C6 1
1393
+ ATOM 407 N N6 . A A 1 13 ? 30.107 7.006 -4.627 1.00 0.88 ? 13 A A N6 1
1394
+ ATOM 408 N N1 . A A 1 13 ? 31.689 5.458 -5.273 1.00 0.86 ? 13 A A N1 1
1395
+ ATOM 409 C C2 . A A 1 13 ? 32.011 4.186 -5.534 1.00 0.90 ? 13 A A C2 1
1396
+ ATOM 410 N N3 . A A 1 13 ? 31.254 3.097 -5.473 1.00 0.91 ? 13 A A N3 1
1397
+ ATOM 411 C C4 . A A 1 13 ? 30.009 3.408 -5.080 1.00 0.88 ? 13 A A C4 1
1398
+ ATOM 412 H "H5'" . A A 1 13 ? 25.195 0.612 -5.543 1.00 1.69 ? 13 A A "H5'" 1
1399
+ ATOM 413 H "H5''" . A A 1 13 ? 24.965 -0.260 -4.014 1.00 1.63 ? 13 A A "H5''" 1
1400
+ ATOM 414 H "H4'" . A A 1 13 ? 26.944 -1.119 -4.825 1.00 1.29 ? 13 A A "H4'" 1
1401
+ ATOM 415 H "H3'" . A A 1 13 ? 27.476 0.948 -2.740 1.00 1.12 ? 13 A A "H3'" 1
1402
+ ATOM 416 H "H2'" . A A 1 13 ? 29.839 0.855 -3.147 1.00 0.97 ? 13 A A "H2'" 1
1403
+ ATOM 417 H "HO2'" . A A 1 13 ? 29.281 -1.626 -3.823 1.00 1.17 ? 13 A A "HO2'" 1
1404
+ ATOM 418 H "H1'" . A A 1 13 ? 29.713 0.896 -5.910 1.00 1.04 ? 13 A A "H1'" 1
1405
+ ATOM 419 H H8 . A A 1 13 ? 26.929 2.923 -4.256 1.00 1.05 ? 13 A A H8 1
1406
+ ATOM 420 H H61 . A A 1 13 ? 30.803 7.730 -4.733 1.00 0.90 ? 13 A A H61 1
1407
+ ATOM 421 H H62 . A A 1 13 ? 29.171 7.248 -4.334 1.00 0.93 ? 13 A A H62 1
1408
+ ATOM 422 H H2 . A A 1 13 ? 33.042 4.018 -5.836 1.00 0.97 ? 13 A A H2 1
1409
+ ATOM 423 P P . A A 1 14 ? 27.560 -0.870 -0.913 1.00 1.24 ? 14 A A P 1
1410
+ ATOM 424 O OP1 . A A 1 14 ? 27.462 -2.221 -0.306 1.00 1.30 ? 14 A A OP1 1
1411
+ ATOM 425 O OP2 . A A 1 14 ? 26.489 0.127 -0.658 1.00 1.40 ? 14 A A OP2 1
1412
+ ATOM 426 O "O5'" . A A 1 14 ? 28.949 -0.227 -0.471 1.00 1.20 ? 14 A A "O5'" 1
1413
+ ATOM 427 C "C5'" . A A 1 14 ? 30.184 -0.869 -0.781 1.00 1.30 ? 14 A A "C5'" 1
1414
+ ATOM 428 C "C4'" . A A 1 14 ? 31.320 0.122 -0.700 1.00 1.25 ? 14 A A "C4'" 1
1415
+ ATOM 429 O "O4'" . A A 1 14 ? 31.212 1.060 -1.809 1.00 1.19 ? 14 A A "O4'" 1
1416
+ ATOM 430 C "C3'" . A A 1 14 ? 31.331 1.000 0.545 1.00 1.27 ? 14 A A "C3'" 1
1417
+ ATOM 431 O "O3'" . A A 1 14 ? 32.002 0.374 1.633 1.00 1.40 ? 14 A A "O3'" 1
1418
+ ATOM 432 C "C2'" . A A 1 14 ? 32.051 2.245 0.051 1.00 1.22 ? 14 A A "C2'" 1
1419
+ ATOM 433 O "O2'" . A A 1 14 ? 33.443 2.021 -0.072 1.00 1.30 ? 14 A A "O2'" 1
1420
+ ATOM 434 C "C1'" . A A 1 14 ? 31.452 2.377 -1.345 1.00 1.11 ? 14 A A "C1'" 1
1421
+ ATOM 435 N N9 . A A 1 14 ? 30.190 3.116 -1.367 1.00 1.04 ? 14 A A N9 1
1422
+ ATOM 436 C C8 . A A 1 14 ? 28.920 2.623 -1.194 1.00 1.07 ? 14 A A C8 1
1423
+ ATOM 437 N N7 . A A 1 14 ? 27.985 3.540 -1.251 1.00 1.06 ? 14 A A N7 1
1424
+ ATOM 438 C C5 . A A 1 14 ? 28.686 4.716 -1.480 1.00 0.99 ? 14 A A C5 1
1425
+ ATOM 439 C C6 . A A 1 14 ? 28.271 6.049 -1.638 1.00 0.98 ? 14 A A C6 1
1426
+ ATOM 440 N N6 . A A 1 14 ? 26.996 6.440 -1.583 1.00 1.05 ? 14 A A N6 1
1427
+ ATOM 441 N N1 . A A 1 14 ? 29.224 6.982 -1.854 1.00 0.94 ? 14 A A N1 1
1428
+ ATOM 442 C C2 . A A 1 14 ? 30.505 6.588 -1.907 1.00 0.94 ? 14 A A C2 1
1429
+ ATOM 443 N N3 . A A 1 14 ? 31.017 5.369 -1.769 1.00 0.97 ? 14 A A N3 1
1430
+ ATOM 444 C C4 . A A 1 14 ? 30.044 4.468 -1.556 1.00 0.99 ? 14 A A C4 1
1431
+ ATOM 445 H "H5'" . A A 1 14 ? 30.141 -1.284 -1.788 1.00 1.36 ? 14 A A "H5'" 1
1432
+ ATOM 446 H "H5''" . A A 1 14 ? 30.368 -1.676 -0.073 1.00 1.49 ? 14 A A "H5''" 1
1433
+ ATOM 447 H "H4'" . A A 1 14 ? 32.252 -0.443 -0.696 1.00 1.30 ? 14 A A "H4'" 1
1434
+ ATOM 448 H "H3'" . A A 1 14 ? 30.320 1.212 0.894 1.00 1.28 ? 14 A A "H3'" 1
1435
+ ATOM 449 H "H2'" . A A 1 14 ? 31.813 3.106 0.677 1.00 1.25 ? 14 A A "H2'" 1
1436
+ ATOM 450 H "HO2'" . A A 1 14 ? 33.635 1.211 0.400 1.00 1.56 ? 14 A A "HO2'" 1
1437
+ ATOM 451 H "H1'" . A A 1 14 ? 32.140 2.850 -2.047 1.00 1.08 ? 14 A A "H1'" 1
1438
+ ATOM 452 H H8 . A A 1 14 ? 28.711 1.577 -1.027 1.00 1.13 ? 14 A A H8 1
1439
+ ATOM 453 H H61 . A A 1 14 ? 26.756 7.417 -1.681 1.00 1.06 ? 14 A A H61 1
1440
+ ATOM 454 H H62 . A A 1 14 ? 26.271 5.756 -1.421 1.00 1.10 ? 14 A A H62 1
1441
+ ATOM 455 H H2 . A A 1 14 ? 31.231 7.379 -2.097 1.00 0.94 ? 14 A A H2 1
1442
+ ATOM 456 P P . C A 1 15 ? 31.661 0.818 3.141 1.00 1.47 ? 15 C A P 1
1443
+ ATOM 457 O OP1 . C A 1 15 ? 32.524 0.034 4.061 1.00 1.65 ? 15 C A OP1 1
1444
+ ATOM 458 O OP2 . C A 1 15 ? 30.185 0.771 3.301 1.00 1.55 ? 15 C A OP2 1
1445
+ ATOM 459 O "O5'" . C A 1 15 ? 32.116 2.343 3.207 1.00 1.29 ? 15 C A "O5'" 1
1446
+ ATOM 460 C "C5'" . C A 1 15 ? 33.464 2.719 2.932 1.00 1.20 ? 15 C A "C5'" 1
1447
+ ATOM 461 C "C4'" . C A 1 15 ? 33.639 4.205 3.133 1.00 1.04 ? 15 C A "C4'" 1
1448
+ ATOM 462 O "O4'" . C A 1 15 ? 32.919 4.915 2.087 1.00 0.99 ? 15 C A "O4'" 1
1449
+ ATOM 463 C "C3'" . C A 1 15 ? 33.063 4.755 4.429 1.00 1.08 ? 15 C A "C3'" 1
1450
+ ATOM 464 O "O3'" . C A 1 15 ? 33.987 4.617 5.505 1.00 1.11 ? 15 C A "O3'" 1
1451
+ ATOM 465 C "C2'" . C A 1 15 ? 32.785 6.209 4.071 1.00 1.00 ? 15 C A "C2'" 1
1452
+ ATOM 466 O "O2'" . C A 1 15 ? 33.974 6.975 4.072 1.00 0.93 ? 15 C A "O2'" 1
1453
+ ATOM 467 C "C1'" . C A 1 15 ? 32.295 6.065 2.631 1.00 0.95 ? 15 C A "C1'" 1
1454
+ ATOM 468 N N1 . C A 1 15 ? 30.835 5.907 2.510 1.00 1.03 ? 15 C A N1 1
1455
+ ATOM 469 C C2 . C A 1 15 ? 30.023 7.039 2.625 1.00 1.00 ? 15 C A C2 1
1456
+ ATOM 470 O O2 . C A 1 15 ? 30.553 8.138 2.844 1.00 0.92 ? 15 C A O2 1
1457
+ ATOM 471 N N3 . C A 1 15 ? 28.683 6.909 2.497 1.00 1.08 ? 15 C A N3 1
1458
+ ATOM 472 C C4 . C A 1 15 ? 28.151 5.707 2.262 1.00 1.20 ? 15 C A C4 1
1459
+ ATOM 473 N N4 . C A 1 15 ? 26.827 5.626 2.131 1.00 1.30 ? 15 C A N4 1
1460
+ ATOM 474 C C5 . C A 1 15 ? 28.953 4.535 2.148 1.00 1.25 ? 15 C A C5 1
1461
+ ATOM 475 C C6 . C A 1 15 ? 30.278 4.680 2.281 1.00 1.16 ? 15 C A C6 1
1462
+ ATOM 476 H "H5'" . C A 1 15 ? 33.715 2.465 1.902 1.00 1.16 ? 15 C A "H5'" 1
1463
+ ATOM 477 H "H5''" . C A 1 15 ? 34.140 2.190 3.602 1.00 1.33 ? 15 C A "H5''" 1
1464
+ ATOM 478 H "H4'" . C A 1 15 ? 34.709 4.414 3.147 1.00 0.97 ? 15 C A "H4'" 1
1465
+ ATOM 479 H "H3'" . C A 1 15 ? 32.164 4.218 4.728 1.00 1.21 ? 15 C A "H3'" 1
1466
+ ATOM 480 H "H2'" . C A 1 15 ? 32.013 6.625 4.719 1.00 1.07 ? 15 C A "H2'" 1
1467
+ ATOM 481 H "HO2'" . C A 1 15 ? 34.676 6.392 4.364 1.00 1.02 ? 15 C A "HO2'" 1
1468
+ ATOM 482 H "H1'" . C A 1 15 ? 32.595 6.912 2.012 1.00 0.88 ? 15 C A "H1'" 1
1469
+ ATOM 483 H H41 . C A 1 15 ? 26.262 6.458 2.214 1.00 1.28 ? 15 C A H41 1
1470
+ ATOM 484 H H42 . C A 1 15 ? 26.389 4.734 1.951 1.00 1.40 ? 15 C A H42 1
1471
+ ATOM 485 H H5 . C A 1 15 ? 28.506 3.559 1.959 1.00 1.37 ? 15 C A H5 1
1472
+ ATOM 486 H H6 . C A 1 15 ? 30.919 3.802 2.210 1.00 1.21 ? 15 C A H6 1
1473
+ ATOM 487 P P . U A 1 16 ? 33.447 4.306 6.988 1.00 1.11 ? 16 U A P 1
1474
+ ATOM 488 O OP1 . U A 1 16 ? 34.547 3.670 7.757 1.00 1.14 ? 16 U A OP1 1
1475
+ ATOM 489 O OP2 . U A 1 16 ? 32.141 3.609 6.866 1.00 1.19 ? 16 U A OP2 1
1476
+ ATOM 490 O "O5'" . U A 1 16 ? 33.178 5.750 7.604 1.00 1.07 ? 16 U A "O5'" 1
1477
+ ATOM 491 C "C5'" . U A 1 16 ? 34.195 6.750 7.597 1.00 1.04 ? 16 U A "C5'" 1
1478
+ ATOM 492 C "C4'" . U A 1 16 ? 33.634 8.066 8.080 1.00 1.06 ? 16 U A "C4'" 1
1479
+ ATOM 493 O "O4'" . U A 1 16 ? 32.885 8.689 6.997 1.00 1.17 ? 16 U A "O4'" 1
1480
+ ATOM 494 C "C3'" . U A 1 16 ? 32.634 7.967 9.223 1.00 1.00 ? 16 U A "C3'" 1
1481
+ ATOM 495 O "O3'" . U A 1 16 ? 33.270 7.928 10.495 1.00 0.95 ? 16 U A "O3'" 1
1482
+ ATOM 496 C "C2'" . U A 1 16 ? 31.802 9.224 9.027 1.00 1.08 ? 16 U A "C2'" 1
1483
+ ATOM 497 O "O2'" . U A 1 16 ? 32.505 10.379 9.446 1.00 1.14 ? 16 U A "O2'" 1
1484
+ ATOM 498 C "C1'" . U A 1 16 ? 31.682 9.243 7.506 1.00 1.16 ? 16 U A "C1'" 1
1485
+ ATOM 499 N N1 . U A 1 16 ? 30.551 8.453 6.997 1.00 1.16 ? 16 U A N1 1
1486
+ ATOM 500 C C2 . U A 1 16 ? 29.320 9.076 6.904 1.00 1.18 ? 16 U A C2 1
1487
+ ATOM 501 O O2 . U A 1 16 ? 29.140 10.240 7.218 1.00 1.20 ? 16 U A O2 1
1488
+ ATOM 502 N N3 . U A 1 16 ? 28.305 8.285 6.428 1.00 1.20 ? 16 U A N3 1
1489
+ ATOM 503 C C4 . U A 1 16 ? 28.392 6.967 6.040 1.00 1.21 ? 16 U A C4 1
1490
+ ATOM 504 O O4 . U A 1 16 ? 27.387 6.389 5.623 1.00 1.26 ? 16 U A O4 1
1491
+ ATOM 505 C C5 . U A 1 16 ? 29.696 6.396 6.165 1.00 1.19 ? 16 U A C5 1
1492
+ ATOM 506 C C6 . U A 1 16 ? 30.708 7.136 6.629 1.00 1.16 ? 16 U A C6 1
1493
+ ATOM 507 H "H5'" . U A 1 16 ? 34.582 6.875 6.585 1.00 1.04 ? 16 U A "H5'" 1
1494
+ ATOM 508 H "H5''" . U A 1 16 ? 35.011 6.452 8.254 1.00 1.05 ? 16 U A "H5''" 1
1495
+ ATOM 509 H "H4'" . U A 1 16 ? 34.467 8.671 8.439 1.00 1.08 ? 16 U A "H4'" 1
1496
+ ATOM 510 H "H3'" . U A 1 16 ? 32.037 7.057 9.155 1.00 0.99 ? 16 U A "H3'" 1
1497
+ ATOM 511 H "H2'" . U A 1 16 ? 30.829 9.122 9.508 1.00 1.08 ? 16 U A "H2'" 1
1498
+ ATOM 512 H "HO2'" . U A 1 16 ? 33.236 10.076 9.986 1.00 1.39 ? 16 U A "HO2'" 1
1499
+ ATOM 513 H "H1'" . U A 1 16 ? 31.600 10.256 7.109 1.00 1.24 ? 16 U A "H1'" 1
1500
+ ATOM 514 H H3 . U A 1 16 ? 27.396 8.721 6.358 1.00 1.22 ? 16 U A H3 1
1501
+ ATOM 515 H H5 . U A 1 16 ? 29.866 5.358 5.882 1.00 1.22 ? 16 U A H5 1
1502
+ ATOM 516 H H6 . U A 1 16 ? 31.693 6.679 6.721 1.00 1.16 ? 16 U A H6 1
1503
+ ATOM 517 P P . G A 1 17 ? 32.513 7.252 11.742 1.00 0.87 ? 17 G A P 1
1504
+ ATOM 518 O OP1 . G A 1 17 ? 33.408 7.327 12.925 1.00 0.85 ? 17 G A OP1 1
1505
+ ATOM 519 O OP2 . G A 1 17 ? 32.004 5.931 11.290 1.00 0.92 ? 17 G A OP2 1
1506
+ ATOM 520 O "O5'" . G A 1 17 ? 31.261 8.206 11.995 1.00 0.86 ? 17 G A "O5'" 1
1507
+ ATOM 521 C "C5'" . G A 1 17 ? 31.441 9.593 12.275 1.00 0.89 ? 17 G A "C5'" 1
1508
+ ATOM 522 C "C4'" . G A 1 17 ? 30.146 10.343 12.065 1.00 0.91 ? 17 G A "C4'" 1
1509
+ ATOM 523 O "O4'" . G A 1 17 ? 29.670 10.120 10.714 1.00 1.01 ? 17 G A "O4'" 1
1510
+ ATOM 524 C "C3'" . G A 1 17 ? 28.979 9.901 12.934 1.00 0.80 ? 17 G A "C3'" 1
1511
+ ATOM 525 O "O3'" . G A 1 17 ? 29.045 10.496 14.226 1.00 0.81 ? 17 G A "O3'" 1
1512
+ ATOM 526 C "C2'" . G A 1 17 ? 27.770 10.374 12.134 1.00 0.86 ? 17 G A "C2'" 1
1513
+ ATOM 527 O "O2'" . G A 1 17 ? 27.528 11.752 12.347 1.00 0.95 ? 17 G A "O2'" 1
1514
+ ATOM 528 C "C1'" . G A 1 17 ? 28.255 10.183 10.695 1.00 0.94 ? 17 G A "C1'" 1
1515
+ ATOM 529 N N9 . G A 1 17 ? 27.748 8.968 10.063 1.00 0.87 ? 17 G A N9 1
1516
+ ATOM 530 C C8 . G A 1 17 ? 28.462 7.845 9.719 1.00 0.87 ? 17 G A C8 1
1517
+ ATOM 531 N N7 . G A 1 17 ? 27.732 6.921 9.158 1.00 0.86 ? 17 G A N7 1
1518
+ ATOM 532 C C5 . G A 1 17 ? 26.454 7.465 9.133 1.00 0.83 ? 17 G A C5 1
1519
+ ATOM 533 C C6 . G A 1 17 ? 25.234 6.927 8.646 1.00 0.84 ? 17 G A C6 1
1520
+ ATOM 534 O O6 . G A 1 17 ? 25.030 5.829 8.116 1.00 0.89 ? 17 G A O6 1
1521
+ ATOM 535 N N1 . G A 1 17 ? 24.178 7.814 8.823 1.00 0.82 ? 17 G A N1 1
1522
+ ATOM 536 C C2 . G A 1 17 ? 24.282 9.059 9.393 1.00 0.82 ? 17 G A C2 1
1523
+ ATOM 537 N N2 . G A 1 17 ? 23.154 9.770 9.473 1.00 0.85 ? 17 G A N2 1
1524
+ ATOM 538 N N3 . G A 1 17 ? 25.410 9.571 9.850 1.00 0.85 ? 17 G A N3 1
1525
+ ATOM 539 C C4 . G A 1 17 ? 26.448 8.726 9.690 1.00 0.84 ? 17 G A C4 1
1526
+ ATOM 540 H "H5'" . G A 1 17 ? 32.205 10.005 11.615 1.00 0.99 ? 17 G A "H5'" 1
1527
+ ATOM 541 H "H5''" . G A 1 17 ? 31.760 9.722 13.309 1.00 0.89 ? 17 G A "H5''" 1
1528
+ ATOM 542 H "H4'" . G A 1 17 ? 30.331 11.393 12.294 1.00 0.97 ? 17 G A "H4'" 1
1529
+ ATOM 543 H "H3'" . G A 1 17 ? 28.980 8.823 13.095 1.00 0.72 ? 17 G A "H3'" 1
1530
+ ATOM 544 H "H2'" . G A 1 17 ? 26.898 9.755 12.351 1.00 0.81 ? 17 G A "H2'" 1
1531
+ ATOM 545 H "HO2'" . G A 1 17 ? 28.178 12.052 12.983 1.00 1.04 ? 17 G A "HO2'" 1
1532
+ ATOM 546 H "H1'" . G A 1 17 ? 27.983 11.028 10.060 1.00 1.04 ? 17 G A "H1'" 1
1533
+ ATOM 547 H H8 . G A 1 17 ? 29.521 7.736 9.900 1.00 0.90 ? 17 G A H8 1
1534
+ ATOM 548 H H1 . G A 1 17 ? 23.267 7.512 8.508 1.00 0.84 ? 17 G A H1 1
1535
+ ATOM 549 H H21 . G A 1 17 ? 22.283 9.392 9.125 1.00 0.84 ? 17 G A H21 1
1536
+ ATOM 550 H H22 . G A 1 17 ? 23.174 10.692 9.882 1.00 0.89 ? 17 G A H22 1
1537
+ ATOM 551 P P . A A 1 18 ? 28.257 9.827 15.456 1.00 0.73 ? 18 A A P 1
1538
+ ATOM 552 O OP1 . A A 1 18 ? 28.802 10.390 16.717 1.00 0.86 ? 18 A A OP1 1
1539
+ ATOM 553 O OP2 . A A 1 18 ? 28.251 8.355 15.254 1.00 0.65 ? 18 A A OP2 1
1540
+ ATOM 554 O "O5'" . A A 1 18 ? 26.761 10.347 15.287 1.00 0.70 ? 18 A A "O5'" 1
1541
+ ATOM 555 C "C5'" . A A 1 18 ? 26.451 11.739 15.358 1.00 0.83 ? 18 A A "C5'" 1
1542
+ ATOM 556 C "C4'" . A A 1 18 ? 24.966 11.929 15.554 1.00 0.83 ? 18 A A "C4'" 1
1543
+ ATOM 557 O "O4'" . A A 1 18 ? 24.295 11.792 14.270 1.00 0.79 ? 18 A A "O4'" 1
1544
+ ATOM 558 C "C3'" . A A 1 18 ? 24.311 10.897 16.463 1.00 0.76 ? 18 A A "C3'" 1
1545
+ ATOM 559 O "O3'" . A A 1 18 ? 24.329 11.316 17.823 1.00 0.89 ? 18 A A "O3'" 1
1546
+ ATOM 560 C "C2'" . A A 1 18 ? 22.900 10.795 15.897 1.00 0.73 ? 18 A A "C2'" 1
1547
+ ATOM 561 O "O2'" . A A 1 18 ? 22.099 11.883 16.317 1.00 0.86 ? 18 A A "O2'" 1
1548
+ ATOM 562 C "C1'" . A A 1 18 ? 23.177 10.936 14.403 1.00 0.69 ? 18 A A "C1'" 1
1549
+ ATOM 563 N N9 . A A 1 18 ? 23.485 9.675 13.731 1.00 0.58 ? 18 A A N9 1
1550
+ ATOM 564 C C8 . A A 1 18 ? 24.704 9.065 13.568 1.00 0.56 ? 18 A A C8 1
1551
+ ATOM 565 N N7 . A A 1 18 ? 24.643 7.936 12.903 1.00 0.52 ? 18 A A N7 1
1552
+ ATOM 566 C C5 . A A 1 18 ? 23.294 7.796 12.610 1.00 0.50 ? 18 A A C5 1
1553
+ ATOM 567 C C6 . A A 1 18 ? 22.573 6.807 11.922 1.00 0.53 ? 18 A A C6 1
1554
+ ATOM 568 N N6 . A A 1 18 ? 23.135 5.726 11.380 1.00 0.60 ? 18 A A N6 1
1555
+ ATOM 569 N N1 . A A 1 18 ? 21.236 6.970 11.808 1.00 0.55 ? 18 A A N1 1
1556
+ ATOM 570 C C2 . A A 1 18 ? 20.674 8.058 12.357 1.00 0.55 ? 18 A A C2 1
1557
+ ATOM 571 N N3 . A A 1 18 ? 21.245 9.050 13.026 1.00 0.56 ? 18 A A N3 1
1558
+ ATOM 572 C C4 . A A 1 18 ? 22.571 8.858 13.118 1.00 0.53 ? 18 A A C4 1
1559
+ ATOM 573 H "H5'" . A A 1 18 ? 26.757 12.231 14.434 1.00 0.90 ? 18 A A "H5'" 1
1560
+ ATOM 574 H "H5''" . A A 1 18 ? 26.980 12.194 16.195 1.00 0.92 ? 18 A A "H5''" 1
1561
+ ATOM 575 H "H4'" . A A 1 18 ? 24.818 12.902 16.025 1.00 0.95 ? 18 A A "H4'" 1
1562
+ ATOM 576 H "H3'" . A A 1 18 ? 24.840 9.946 16.433 1.00 0.68 ? 18 A A "H3'" 1
1563
+ ATOM 577 H "H2'" . A A 1 18 ? 22.457 9.826 16.136 1.00 0.68 ? 18 A A "H2'" 1
1564
+ ATOM 578 H "HO2'" . A A 1 18 ? 22.478 12.201 17.138 1.00 0.92 ? 18 A A "HO2'" 1
1565
+ ATOM 579 H "H1'" . A A 1 18 ? 22.345 11.405 13.874 1.00 0.73 ? 18 A A "H1'" 1
1566
+ ATOM 580 H H8 . A A 1 18 ? 25.628 9.476 13.950 1.00 0.61 ? 18 A A H8 1
1567
+ ATOM 581 H H61 . A A 1 18 ? 22.563 5.045 10.891 1.00 0.67 ? 18 A A H61 1
1568
+ ATOM 582 H H62 . A A 1 18 ? 24.132 5.587 11.454 1.00 0.61 ? 18 A A H62 1
1569
+ ATOM 583 H H2 . A A 1 18 ? 19.596 8.141 12.237 1.00 0.60 ? 18 A A H2 1
1570
+ ATOM 584 P P . C A 1 19 ? 24.662 10.251 18.982 1.00 0.91 ? 19 C A P 1
1571
+ ATOM 585 O OP1 . C A 1 19 ? 24.907 10.997 20.243 1.00 1.11 ? 19 C A OP1 1
1572
+ ATOM 586 O OP2 . C A 1 19 ? 25.702 9.326 18.463 1.00 0.84 ? 19 C A OP2 1
1573
+ ATOM 587 O "O5'" . C A 1 19 ? 23.308 9.426 19.141 1.00 0.87 ? 19 C A "O5'" 1
1574
+ ATOM 588 C "C5'" . C A 1 19 ? 22.066 10.092 19.365 1.00 0.96 ? 19 C A "C5'" 1
1575
+ ATOM 589 C "C4'" . C A 1 19 ? 20.912 9.162 19.069 1.00 0.93 ? 19 C A "C4'" 1
1576
+ ATOM 590 O "O4'" . C A 1 19 ? 20.833 8.945 17.634 1.00 0.78 ? 19 C A "O4'" 1
1577
+ ATOM 591 C "C3'" . C A 1 19 ? 21.027 7.762 19.655 1.00 0.99 ? 19 C A "C3'" 1
1578
+ ATOM 592 O "O3'" . C A 1 19 ? 20.572 7.721 21.004 1.00 1.18 ? 19 C A "O3'" 1
1579
+ ATOM 593 C "C2'" . C A 1 19 ? 20.149 6.944 18.716 1.00 0.95 ? 19 C A "C2'" 1
1580
+ ATOM 594 O "O2'" . C A 1 19 ? 18.777 7.136 19.004 1.00 1.05 ? 19 C A "O2'" 1
1581
+ ATOM 595 C "C1'" . C A 1 19 ? 20.464 7.601 17.373 1.00 0.78 ? 19 C A "C1'" 1
1582
+ ATOM 596 N N1 . C A 1 19 ? 21.562 6.952 16.637 1.00 0.69 ? 19 C A N1 1
1583
+ ATOM 597 C C2 . C A 1 19 ? 21.269 5.868 15.806 1.00 0.70 ? 19 C A C2 1
1584
+ ATOM 598 O O2 . C A 1 19 ? 20.095 5.478 15.719 1.00 0.79 ? 19 C A O2 1
1585
+ ATOM 599 N N3 . C A 1 19 ? 22.269 5.271 15.118 1.00 0.66 ? 19 C A N3 1
1586
+ ATOM 600 C C4 . C A 1 19 ? 23.520 5.719 15.241 1.00 0.59 ? 19 C A C4 1
1587
+ ATOM 601 N N4 . C A 1 19 ? 24.476 5.105 14.544 1.00 0.59 ? 19 C A N4 1
1588
+ ATOM 602 C C5 . C A 1 19 ? 23.849 6.819 16.084 1.00 0.58 ? 19 C A C5 1
1589
+ ATOM 603 C C6 . C A 1 19 ? 22.849 7.399 16.758 1.00 0.63 ? 19 C A C6 1
1590
+ ATOM 604 H "H5'" . C A 1 19 ? 21.996 10.968 18.719 1.00 0.93 ? 19 C A "H5'" 1
1591
+ ATOM 605 H "H5''" . C A 1 19 ? 22.002 10.413 20.404 1.00 1.12 ? 19 C A "H5''" 1
1592
+ ATOM 606 H "H4'" . C A 1 19 ? 20.012 9.608 19.492 1.00 1.01 ? 19 C A "H4'" 1
1593
+ ATOM 607 H "H3'" . C A 1 19 ? 22.060 7.416 19.671 1.00 0.96 ? 19 C A "H3'" 1
1594
+ ATOM 608 H "H2'" . C A 1 19 ? 20.441 5.892 18.730 1.00 0.98 ? 19 C A "H2'" 1
1595
+ ATOM 609 H "HO2'" . C A 1 19 ? 18.732 7.585 19.849 1.00 1.15 ? 19 C A "HO2'" 1
1596
+ ATOM 610 H "H1'" . C A 1 19 ? 19.592 7.633 16.717 1.00 0.77 ? 19 C A "H1'" 1
1597
+ ATOM 611 H H41 . C A 1 19 ? 24.242 4.324 13.947 1.00 0.64 ? 19 C A H41 1
1598
+ ATOM 612 H H42 . C A 1 19 ? 25.433 5.420 14.614 1.00 0.57 ? 19 C A H42 1
1599
+ ATOM 613 H H5 . C A 1 19 ? 24.875 7.171 16.179 1.00 0.56 ? 19 C A H5 1
1600
+ ATOM 614 H H6 . C A 1 19 ? 23.066 8.241 17.415 1.00 0.67 ? 19 C A H6 1
1601
+ ATOM 615 P P . C A 1 20 ? 21.121 6.583 21.999 1.00 1.33 ? 20 C A P 1
1602
+ ATOM 616 O OP1 . C A 1 20 ? 20.700 6.930 23.380 1.00 1.54 ? 20 C A OP1 1
1603
+ ATOM 617 O OP2 . C A 1 20 ? 22.562 6.377 21.702 1.00 1.27 ? 20 C A OP2 1
1604
+ ATOM 618 O "O5'" . C A 1 20 ? 20.337 5.270 21.552 1.00 1.35 ? 20 C A "O5'" 1
1605
+ ATOM 619 C "C5'" . C A 1 20 ? 18.932 5.145 21.761 1.00 1.44 ? 20 C A "C5'" 1
1606
+ ATOM 620 C "C4'" . C A 1 20 ? 18.474 3.753 21.398 1.00 1.53 ? 20 C A "C4'" 1
1607
+ ATOM 621 O "O4'" . C A 1 20 ? 18.509 3.616 19.951 1.00 1.38 ? 20 C A "O4'" 1
1608
+ ATOM 622 C "C3'" . C A 1 20 ? 19.349 2.622 21.924 1.00 1.63 ? 20 C A "C3'" 1
1609
+ ATOM 623 O "O3'" . C A 1 20 ? 18.963 2.202 23.236 1.00 1.86 ? 20 C A "O3'" 1
1610
+ ATOM 624 C "C2'" . C A 1 20 ? 19.143 1.525 20.886 1.00 1.63 ? 20 C A "C2'" 1
1611
+ ATOM 625 O "O2'" . C A 1 20 ? 17.924 0.839 21.105 1.00 1.81 ? 20 C A "O2'" 1
1612
+ ATOM 626 C "C1'" . C A 1 20 ? 19.021 2.344 19.601 1.00 1.43 ? 20 C A "C1'" 1
1613
+ ATOM 627 N N1 . C A 1 20 ? 20.298 2.535 18.893 1.00 1.27 ? 20 C A N1 1
1614
+ ATOM 628 C C2 . C A 1 20 ? 20.668 1.613 17.909 1.00 1.25 ? 20 C A C2 1
1615
+ ATOM 629 O O2 . C A 1 20 ? 19.915 0.659 17.666 1.00 1.38 ? 20 C A O2 1
1616
+ ATOM 630 N N3 . C A 1 20 ? 21.835 1.785 17.247 1.00 1.13 ? 20 C A N3 1
1617
+ ATOM 631 C C4 . C A 1 20 ? 22.618 2.826 17.537 1.00 1.02 ? 20 C A C4 1
1618
+ ATOM 632 N N4 . C A 1 20 ? 23.758 2.958 16.858 1.00 0.93 ? 20 C A N4 1
1619
+ ATOM 633 C C5 . C A 1 20 ? 22.268 3.779 18.537 1.00 1.05 ? 20 C A C5 1
1620
+ ATOM 634 C C6 . C A 1 20 ? 21.111 3.594 19.186 1.00 1.17 ? 20 C A C6 1
1621
+ ATOM 635 H "H5'" . C A 1 20 ? 18.402 5.870 21.142 1.00 1.34 ? 20 C A "H5'" 1
1622
+ ATOM 636 H "H5''" . C A 1 20 ? 18.696 5.333 22.808 1.00 1.59 ? 20 C A "H5''" 1
1623
+ ATOM 637 H "H4'" . C A 1 20 ? 17.481 3.609 21.825 1.00 1.65 ? 20 C A "H4'" 1
1624
+ ATOM 638 H "H3'" . C A 1 20 ? 20.392 2.928 22.003 1.00 1.57 ? 20 C A "H3'" 1
1625
+ ATOM 639 H "HO3'" . C A 1 20 ? 19.040 2.963 23.818 1.00 2.16 ? 20 C A "HO3'" 1
1626
+ ATOM 640 H "H2'" . C A 1 20 ? 20.005 0.856 20.857 1.00 1.64 ? 20 C A "H2'" 1
1627
+ ATOM 641 H "HO2'" . C A 1 20 ? 17.725 0.916 22.040 1.00 2.19 ? 20 C A "HO2'" 1
1628
+ ATOM 642 H "H1'" . C A 1 20 ? 18.313 1.902 18.900 1.00 1.46 ? 20 C A "H1'" 1
1629
+ ATOM 643 H H41 . C A 1 20 ? 24.003 2.282 16.145 1.00 0.93 ? 20 C A H41 1
1630
+ ATOM 644 H H42 . C A 1 20 ? 24.377 3.732 17.048 1.00 0.88 ? 20 C A H42 1
1631
+ ATOM 645 H H5 . C A 1 20 ? 22.916 4.625 18.766 1.00 1.00 ? 20 C A H5 1
1632
+ ATOM 646 H H6 . C A 1 20 ? 20.816 4.301 19.961 1.00 1.21 ? 20 C A H6 1
1633
+ #
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1
+ data_4XW0
2
+ #
3
+ _entry.id 4XW0
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.383
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 4XW0 pdb_00004xw0 10.2210/pdb4xw0/pdb
15
+ WWPDB D_1000204236 ? ?
16
+ #
17
+ loop_
18
+ _pdbx_audit_revision_history.ordinal
19
+ _pdbx_audit_revision_history.data_content_type
20
+ _pdbx_audit_revision_history.major_revision
21
+ _pdbx_audit_revision_history.minor_revision
22
+ _pdbx_audit_revision_history.revision_date
23
+ 1 'Structure model' 1 0 2016-01-13
24
+ 2 'Structure model' 1 1 2024-01-10
25
+ #
26
+ _pdbx_audit_revision_details.ordinal 1
27
+ _pdbx_audit_revision_details.revision_ordinal 1
28
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
29
+ _pdbx_audit_revision_details.provider repository
30
+ _pdbx_audit_revision_details.type 'Initial release'
31
+ _pdbx_audit_revision_details.description ?
32
+ _pdbx_audit_revision_details.details ?
33
+ #
34
+ loop_
35
+ _pdbx_audit_revision_group.ordinal
36
+ _pdbx_audit_revision_group.revision_ordinal
37
+ _pdbx_audit_revision_group.data_content_type
38
+ _pdbx_audit_revision_group.group
39
+ 1 2 'Structure model' 'Data collection'
40
+ 2 2 'Structure model' 'Database references'
41
+ 3 2 'Structure model' 'Refinement description'
42
+ #
43
+ loop_
44
+ _pdbx_audit_revision_category.ordinal
45
+ _pdbx_audit_revision_category.revision_ordinal
46
+ _pdbx_audit_revision_category.data_content_type
47
+ _pdbx_audit_revision_category.category
48
+ 1 2 'Structure model' chem_comp_atom
49
+ 2 2 'Structure model' chem_comp_bond
50
+ 3 2 'Structure model' database_2
51
+ 4 2 'Structure model' pdbx_initial_refinement_model
52
+ #
53
+ loop_
54
+ _pdbx_audit_revision_item.ordinal
55
+ _pdbx_audit_revision_item.revision_ordinal
56
+ _pdbx_audit_revision_item.data_content_type
57
+ _pdbx_audit_revision_item.item
58
+ 1 2 'Structure model' '_database_2.pdbx_DOI'
59
+ 2 2 'Structure model' '_database_2.pdbx_database_accession'
60
+ #
61
+ _pdbx_database_status.status_code REL
62
+ _pdbx_database_status.status_code_sf REL
63
+ _pdbx_database_status.status_code_mr ?
64
+ _pdbx_database_status.entry_id 4XW0
65
+ _pdbx_database_status.recvd_initial_deposition_date 2015-01-28
66
+ _pdbx_database_status.SG_entry N
67
+ _pdbx_database_status.deposit_site RCSB
68
+ _pdbx_database_status.process_site PDBE
69
+ _pdbx_database_status.status_code_cs ?
70
+ _pdbx_database_status.methods_development_category ?
71
+ _pdbx_database_status.pdb_format_compatible Y
72
+ _pdbx_database_status.status_code_nmr_data ?
73
+ #
74
+ loop_
75
+ _audit_author.name
76
+ _audit_author.pdbx_ordinal
77
+ 'Kiliszek, A.' 1
78
+ 'Banaszak, K.' 2
79
+ 'Rypniewski, W.' 3
80
+ #
81
+ _citation.abstract ?
82
+ _citation.abstract_id_CAS ?
83
+ _citation.book_id_ISBN ?
84
+ _citation.book_publisher ?
85
+ _citation.book_publisher_city ?
86
+ _citation.book_title ?
87
+ _citation.coordinate_linkage ?
88
+ _citation.country UK
89
+ _citation.database_id_Medline ?
90
+ _citation.details ?
91
+ _citation.id primary
92
+ _citation.journal_abbrev Rna
93
+ _citation.journal_id_ASTM RNARFU
94
+ _citation.journal_id_CSD 2122
95
+ _citation.journal_id_ISSN 1469-9001
96
+ _citation.journal_full ?
97
+ _citation.journal_issue ?
98
+ _citation.journal_volume 22
99
+ _citation.language ?
100
+ _citation.page_first 22
101
+ _citation.page_last 31
102
+ _citation.title 'Watson-Crick-like pairs in CCUG repeats: evidence for tautomeric shifts or protonation.'
103
+ _citation.year 2016
104
+ _citation.database_id_CSD ?
105
+ _citation.pdbx_database_id_DOI 10.1261/rna.052399.115
106
+ _citation.pdbx_database_id_PubMed 26543073
107
+ _citation.unpublished_flag ?
108
+ #
109
+ loop_
110
+ _citation_author.citation_id
111
+ _citation_author.name
112
+ _citation_author.ordinal
113
+ _citation_author.identifier_ORCID
114
+ primary 'Rypniewski, W.' 1 ?
115
+ primary 'Banaszak, K.' 2 ?
116
+ primary 'Kulinski, T.' 3 ?
117
+ primary 'Kiliszek, A.' 4 ?
118
+ #
119
+ loop_
120
+ _entity.id
121
+ _entity.type
122
+ _entity.src_method
123
+ _entity.pdbx_description
124
+ _entity.formula_weight
125
+ _entity.pdbx_number_of_molecules
126
+ _entity.pdbx_ec
127
+ _entity.pdbx_mutation
128
+ _entity.pdbx_fragment
129
+ _entity.details
130
+ 1 polymer syn
131
+ ;RNA (5'-R(*GP*CP*CP*UP*(LCG)P*CP*CP*UP*GP*C)-3')
132
+ ;
133
+ 3140.910 2 ? ? ? 'RNA oligomer'
134
+ 2 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ?
135
+ 3 water nat water 18.015 22 ? ? ? ?
136
+ #
137
+ _entity_poly.entity_id 1
138
+ _entity_poly.type polyribonucleotide
139
+ _entity_poly.nstd_linkage no
140
+ _entity_poly.nstd_monomer yes
141
+ _entity_poly.pdbx_seq_one_letter_code 'GCCU(LCG)CCUGC'
142
+ _entity_poly.pdbx_seq_one_letter_code_can GCCUGCCUGC
143
+ _entity_poly.pdbx_strand_id A,B
144
+ _entity_poly.pdbx_target_identifier ?
145
+ #
146
+ loop_
147
+ _pdbx_entity_nonpoly.entity_id
148
+ _pdbx_entity_nonpoly.name
149
+ _pdbx_entity_nonpoly.comp_id
150
+ 2 'SULFATE ION' SO4
151
+ 3 water HOH
152
+ #
153
+ loop_
154
+ _entity_poly_seq.entity_id
155
+ _entity_poly_seq.num
156
+ _entity_poly_seq.mon_id
157
+ _entity_poly_seq.hetero
158
+ 1 1 G n
159
+ 1 2 C n
160
+ 1 3 C n
161
+ 1 4 U n
162
+ 1 5 LCG n
163
+ 1 6 C n
164
+ 1 7 C n
165
+ 1 8 U n
166
+ 1 9 G n
167
+ 1 10 C n
168
+ #
169
+ _pdbx_entity_src_syn.entity_id 1
170
+ _pdbx_entity_src_syn.pdbx_src_id 1
171
+ _pdbx_entity_src_syn.pdbx_alt_source_flag sample
172
+ _pdbx_entity_src_syn.pdbx_beg_seq_num 1
173
+ _pdbx_entity_src_syn.pdbx_end_seq_num 10
174
+ _pdbx_entity_src_syn.organism_scientific 'Homo sapiens'
175
+ _pdbx_entity_src_syn.organism_common_name ?
176
+ _pdbx_entity_src_syn.ncbi_taxonomy_id 9606
177
+ _pdbx_entity_src_syn.details ?
178
+ #
179
+ loop_
180
+ _chem_comp.id
181
+ _chem_comp.type
182
+ _chem_comp.mon_nstd_flag
183
+ _chem_comp.name
184
+ _chem_comp.pdbx_synonyms
185
+ _chem_comp.formula
186
+ _chem_comp.formula_weight
187
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ?
188
+ 'C9 H14 N3 O8 P' 323.197
189
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ?
190
+ 'C10 H14 N5 O8 P' 363.221
191
+ HOH non-polymer . WATER ?
192
+ 'H2 O' 18.015
193
+ LCG 'RNA linking' n '[(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE' ?
194
+ 'C11 H14 N5 O8 P' 375.231
195
+ SO4 non-polymer . 'SULFATE ION' ?
196
+ 'O4 S -2' 96.063
197
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ?
198
+ 'C9 H13 N2 O9 P' 324.181
199
+ #
200
+ loop_
201
+ _pdbx_poly_seq_scheme.asym_id
202
+ _pdbx_poly_seq_scheme.entity_id
203
+ _pdbx_poly_seq_scheme.seq_id
204
+ _pdbx_poly_seq_scheme.mon_id
205
+ _pdbx_poly_seq_scheme.ndb_seq_num
206
+ _pdbx_poly_seq_scheme.pdb_seq_num
207
+ _pdbx_poly_seq_scheme.auth_seq_num
208
+ _pdbx_poly_seq_scheme.pdb_mon_id
209
+ _pdbx_poly_seq_scheme.auth_mon_id
210
+ _pdbx_poly_seq_scheme.pdb_strand_id
211
+ _pdbx_poly_seq_scheme.pdb_ins_code
212
+ _pdbx_poly_seq_scheme.hetero
213
+ A 1 1 G 1 1 1 G G A . n
214
+ A 1 2 C 2 2 2 C C A . n
215
+ A 1 3 C 3 3 3 C C A . n
216
+ A 1 4 U 4 4 4 U U A . n
217
+ A 1 5 LCG 5 5 5 LCG LCG A . n
218
+ A 1 6 C 6 6 6 C C A . n
219
+ A 1 7 C 7 7 7 C C A . n
220
+ A 1 8 U 8 8 8 U U A . n
221
+ A 1 9 G 9 9 9 G G A . n
222
+ A 1 10 C 10 10 10 C C A . n
223
+ B 1 1 G 1 1 1 G G B . n
224
+ B 1 2 C 2 2 2 C C B . n
225
+ B 1 3 C 3 3 3 C C B . n
226
+ B 1 4 U 4 4 4 U U B . n
227
+ B 1 5 LCG 5 5 5 LCG LCG B . n
228
+ B 1 6 C 6 6 6 C C B . n
229
+ B 1 7 C 7 7 7 C C B . n
230
+ B 1 8 U 8 8 8 U U B . n
231
+ B 1 9 G 9 9 9 G G B . n
232
+ B 1 10 C 10 10 10 C C B . n
233
+ #
234
+ loop_
235
+ _pdbx_nonpoly_scheme.asym_id
236
+ _pdbx_nonpoly_scheme.entity_id
237
+ _pdbx_nonpoly_scheme.mon_id
238
+ _pdbx_nonpoly_scheme.ndb_seq_num
239
+ _pdbx_nonpoly_scheme.pdb_seq_num
240
+ _pdbx_nonpoly_scheme.auth_seq_num
241
+ _pdbx_nonpoly_scheme.pdb_mon_id
242
+ _pdbx_nonpoly_scheme.auth_mon_id
243
+ _pdbx_nonpoly_scheme.pdb_strand_id
244
+ _pdbx_nonpoly_scheme.pdb_ins_code
245
+ C 2 SO4 1 101 1 SO4 SO4 A .
246
+ D 2 SO4 1 102 2 SO4 SO4 A .
247
+ E 3 HOH 1 201 15 HOH HOH A .
248
+ E 3 HOH 2 202 4 HOH HOH A .
249
+ E 3 HOH 3 203 20 HOH HOH A .
250
+ E 3 HOH 4 204 22 HOH HOH A .
251
+ E 3 HOH 5 205 9 HOH HOH A .
252
+ E 3 HOH 6 206 13 HOH HOH A .
253
+ E 3 HOH 7 207 21 HOH HOH A .
254
+ E 3 HOH 8 208 19 HOH HOH A .
255
+ E 3 HOH 9 209 7 HOH HOH A .
256
+ E 3 HOH 10 210 25 HOH HOH A .
257
+ E 3 HOH 11 211 11 HOH HOH A .
258
+ E 3 HOH 12 212 12 HOH HOH A .
259
+ E 3 HOH 13 213 18 HOH HOH A .
260
+ E 3 HOH 14 214 24 HOH HOH A .
261
+ F 3 HOH 1 101 17 HOH HOH B .
262
+ F 3 HOH 2 102 16 HOH HOH B .
263
+ F 3 HOH 3 103 8 HOH HOH B .
264
+ F 3 HOH 4 104 10 HOH HOH B .
265
+ F 3 HOH 5 105 3 HOH HOH B .
266
+ F 3 HOH 6 106 5 HOH HOH B .
267
+ F 3 HOH 7 107 6 HOH HOH B .
268
+ F 3 HOH 8 108 23 HOH HOH B .
269
+ #
270
+ loop_
271
+ _pdbx_unobs_or_zero_occ_atoms.id
272
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
273
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag
274
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
275
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
276
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
277
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
278
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
279
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
280
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id
281
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id
282
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id
283
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id
284
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id
285
+ 1 1 Y 1 B C 10 ? "O5'" ? B C 10 "O5'"
286
+ 2 1 Y 1 B C 10 ? "C5'" ? B C 10 "C5'"
287
+ 3 1 Y 1 B C 10 ? "C4'" ? B C 10 "C4'"
288
+ 4 1 Y 1 B C 10 ? "O4'" ? B C 10 "O4'"
289
+ 5 1 Y 1 B C 10 ? "C3'" ? B C 10 "C3'"
290
+ 6 1 Y 1 B C 10 ? "O3'" ? B C 10 "O3'"
291
+ 7 1 Y 1 B C 10 ? "C2'" ? B C 10 "C2'"
292
+ 8 1 Y 1 B C 10 ? "O2'" ? B C 10 "O2'"
293
+ 9 1 Y 1 B C 10 ? "C1'" ? B C 10 "C1'"
294
+ 10 1 Y 1 B C 10 ? N1 ? B C 10 N1
295
+ 11 1 Y 1 B C 10 ? C2 ? B C 10 C2
296
+ 12 1 Y 1 B C 10 ? O2 ? B C 10 O2
297
+ 13 1 Y 1 B C 10 ? N3 ? B C 10 N3
298
+ 14 1 Y 1 B C 10 ? C4 ? B C 10 C4
299
+ 15 1 Y 1 B C 10 ? N4 ? B C 10 N4
300
+ 16 1 Y 1 B C 10 ? C5 ? B C 10 C5
301
+ 17 1 Y 1 B C 10 ? C6 ? B C 10 C6
302
+ #
303
+ loop_
304
+ _software.citation_id
305
+ _software.classification
306
+ _software.compiler_name
307
+ _software.compiler_version
308
+ _software.contact_author
309
+ _software.contact_author_email
310
+ _software.date
311
+ _software.description
312
+ _software.dependencies
313
+ _software.hardware
314
+ _software.language
315
+ _software.location
316
+ _software.mods
317
+ _software.name
318
+ _software.os
319
+ _software.os_version
320
+ _software.type
321
+ _software.version
322
+ _software.pdbx_ordinal
323
+ ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(phenix.refine: 1.8.2_1309)' 1
324
+ ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2
325
+ ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? . 3
326
+ ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4
327
+ #
328
+ _cell.angle_alpha 90.00
329
+ _cell.angle_alpha_esd ?
330
+ _cell.angle_beta 90.00
331
+ _cell.angle_beta_esd ?
332
+ _cell.angle_gamma 90.00
333
+ _cell.angle_gamma_esd ?
334
+ _cell.entry_id 4XW0
335
+ _cell.details ?
336
+ _cell.formula_units_Z ?
337
+ _cell.length_a 26.910
338
+ _cell.length_a_esd ?
339
+ _cell.length_b 26.910
340
+ _cell.length_b_esd ?
341
+ _cell.length_c 80.505
342
+ _cell.length_c_esd ?
343
+ _cell.volume ?
344
+ _cell.volume_esd ?
345
+ _cell.Z_PDB 8
346
+ _cell.reciprocal_angle_alpha ?
347
+ _cell.reciprocal_angle_beta ?
348
+ _cell.reciprocal_angle_gamma ?
349
+ _cell.reciprocal_angle_alpha_esd ?
350
+ _cell.reciprocal_angle_beta_esd ?
351
+ _cell.reciprocal_angle_gamma_esd ?
352
+ _cell.reciprocal_length_a ?
353
+ _cell.reciprocal_length_b ?
354
+ _cell.reciprocal_length_c ?
355
+ _cell.reciprocal_length_a_esd ?
356
+ _cell.reciprocal_length_b_esd ?
357
+ _cell.reciprocal_length_c_esd ?
358
+ _cell.pdbx_unique_axis ?
359
+ #
360
+ _symmetry.entry_id 4XW0
361
+ _symmetry.cell_setting ?
362
+ _symmetry.Int_Tables_number 78
363
+ _symmetry.space_group_name_Hall ?
364
+ _symmetry.space_group_name_H-M 'P 43'
365
+ _symmetry.pdbx_full_space_group_name_H-M ?
366
+ #
367
+ _exptl.absorpt_coefficient_mu ?
368
+ _exptl.absorpt_correction_T_max ?
369
+ _exptl.absorpt_correction_T_min ?
370
+ _exptl.absorpt_correction_type ?
371
+ _exptl.absorpt_process_details ?
372
+ _exptl.entry_id 4XW0
373
+ _exptl.crystals_number ?
374
+ _exptl.details ?
375
+ _exptl.method 'X-RAY DIFFRACTION'
376
+ _exptl.method_details ?
377
+ #
378
+ _exptl_crystal.colour ?
379
+ _exptl_crystal.density_diffrn ?
380
+ _exptl_crystal.density_Matthews 2.32
381
+ _exptl_crystal.density_method ?
382
+ _exptl_crystal.density_percent_sol 46.98
383
+ _exptl_crystal.description ?
384
+ _exptl_crystal.F_000 ?
385
+ _exptl_crystal.id 1
386
+ _exptl_crystal.preparation ?
387
+ _exptl_crystal.size_max ?
388
+ _exptl_crystal.size_mid ?
389
+ _exptl_crystal.size_min ?
390
+ _exptl_crystal.size_rad ?
391
+ _exptl_crystal.colour_lustre ?
392
+ _exptl_crystal.colour_modifier ?
393
+ _exptl_crystal.colour_primary ?
394
+ _exptl_crystal.density_meas ?
395
+ _exptl_crystal.density_meas_esd ?
396
+ _exptl_crystal.density_meas_gt ?
397
+ _exptl_crystal.density_meas_lt ?
398
+ _exptl_crystal.density_meas_temp ?
399
+ _exptl_crystal.density_meas_temp_esd ?
400
+ _exptl_crystal.density_meas_temp_gt ?
401
+ _exptl_crystal.density_meas_temp_lt ?
402
+ _exptl_crystal.pdbx_crystal_image_url ?
403
+ _exptl_crystal.pdbx_crystal_image_format ?
404
+ _exptl_crystal.pdbx_mosaicity ?
405
+ _exptl_crystal.pdbx_mosaicity_esd ?
406
+ #
407
+ _exptl_crystal_grow.apparatus ?
408
+ _exptl_crystal_grow.atmosphere ?
409
+ _exptl_crystal_grow.crystal_id 1
410
+ _exptl_crystal_grow.details ?
411
+ _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP'
412
+ _exptl_crystal_grow.method_ref ?
413
+ _exptl_crystal_grow.pH ?
414
+ _exptl_crystal_grow.pressure ?
415
+ _exptl_crystal_grow.pressure_esd ?
416
+ _exptl_crystal_grow.seeding ?
417
+ _exptl_crystal_grow.seeding_ref ?
418
+ _exptl_crystal_grow.temp 292
419
+ _exptl_crystal_grow.temp_details ?
420
+ _exptl_crystal_grow.temp_esd ?
421
+ _exptl_crystal_grow.time ?
422
+ _exptl_crystal_grow.pdbx_details '40 mM magnesium sulphate, HEPES and 1.3 M lithium sulphate'
423
+ _exptl_crystal_grow.pdbx_pH_range 7.0
424
+ #
425
+ _diffrn.ambient_environment ?
426
+ _diffrn.ambient_temp 100
427
+ _diffrn.ambient_temp_details ?
428
+ _diffrn.ambient_temp_esd ?
429
+ _diffrn.crystal_id 1
430
+ _diffrn.crystal_support ?
431
+ _diffrn.crystal_treatment ?
432
+ _diffrn.details ?
433
+ _diffrn.id 1
434
+ _diffrn.ambient_pressure ?
435
+ _diffrn.ambient_pressure_esd ?
436
+ _diffrn.ambient_pressure_gt ?
437
+ _diffrn.ambient_pressure_lt ?
438
+ _diffrn.ambient_temp_gt ?
439
+ _diffrn.ambient_temp_lt ?
440
+ #
441
+ _diffrn_detector.details ?
442
+ _diffrn_detector.detector CCD
443
+ _diffrn_detector.diffrn_id 1
444
+ _diffrn_detector.type 'MAR CCD 165 mm'
445
+ _diffrn_detector.area_resol_mean ?
446
+ _diffrn_detector.dtime ?
447
+ _diffrn_detector.pdbx_frames_total ?
448
+ _diffrn_detector.pdbx_collection_time_total ?
449
+ _diffrn_detector.pdbx_collection_date 2013-07-07
450
+ #
451
+ _diffrn_radiation.collimation ?
452
+ _diffrn_radiation.diffrn_id 1
453
+ _diffrn_radiation.filter_edge ?
454
+ _diffrn_radiation.inhomogeneity ?
455
+ _diffrn_radiation.monochromator ?
456
+ _diffrn_radiation.polarisn_norm ?
457
+ _diffrn_radiation.polarisn_ratio ?
458
+ _diffrn_radiation.probe ?
459
+ _diffrn_radiation.type ?
460
+ _diffrn_radiation.xray_symbol ?
461
+ _diffrn_radiation.wavelength_id 1
462
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
463
+ _diffrn_radiation.pdbx_wavelength_list ?
464
+ _diffrn_radiation.pdbx_wavelength ?
465
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
466
+ _diffrn_radiation.pdbx_analyzer ?
467
+ _diffrn_radiation.pdbx_scattering_type x-ray
468
+ #
469
+ _diffrn_radiation_wavelength.id 1
470
+ _diffrn_radiation_wavelength.wavelength 0.91841
471
+ _diffrn_radiation_wavelength.wt 1.0
472
+ #
473
+ _diffrn_source.current ?
474
+ _diffrn_source.details ?
475
+ _diffrn_source.diffrn_id 1
476
+ _diffrn_source.power ?
477
+ _diffrn_source.size ?
478
+ _diffrn_source.source SYNCHROTRON
479
+ _diffrn_source.target ?
480
+ _diffrn_source.type 'BESSY BEAMLINE 14.2'
481
+ _diffrn_source.voltage ?
482
+ _diffrn_source.take-off_angle ?
483
+ _diffrn_source.pdbx_wavelength_list 0.91841
484
+ _diffrn_source.pdbx_wavelength ?
485
+ _diffrn_source.pdbx_synchrotron_beamline 14.2
486
+ _diffrn_source.pdbx_synchrotron_site BESSY
487
+ #
488
+ _reflns.B_iso_Wilson_estimate 40.3
489
+ _reflns.entry_id 4XW0
490
+ _reflns.data_reduction_details ?
491
+ _reflns.data_reduction_method ?
492
+ _reflns.d_resolution_high 1.81
493
+ _reflns.d_resolution_low 27.0
494
+ _reflns.details ?
495
+ _reflns.limit_h_max ?
496
+ _reflns.limit_h_min ?
497
+ _reflns.limit_k_max ?
498
+ _reflns.limit_k_min ?
499
+ _reflns.limit_l_max ?
500
+ _reflns.limit_l_min ?
501
+ _reflns.number_all ?
502
+ _reflns.number_obs 5249
503
+ _reflns.observed_criterion ?
504
+ _reflns.observed_criterion_F_max ?
505
+ _reflns.observed_criterion_F_min ?
506
+ _reflns.observed_criterion_I_max ?
507
+ _reflns.observed_criterion_I_min ?
508
+ _reflns.observed_criterion_sigma_F ?
509
+ _reflns.observed_criterion_sigma_I ?
510
+ _reflns.percent_possible_obs 99.6
511
+ _reflns.R_free_details ?
512
+ _reflns.Rmerge_F_all ?
513
+ _reflns.Rmerge_F_obs ?
514
+ _reflns.Friedel_coverage ?
515
+ _reflns.number_gt ?
516
+ _reflns.threshold_expression ?
517
+ _reflns.pdbx_redundancy 6.7
518
+ _reflns.pdbx_Rmerge_I_obs 0.057
519
+ _reflns.pdbx_Rmerge_I_all ?
520
+ _reflns.pdbx_Rsym_value ?
521
+ _reflns.pdbx_netI_over_av_sigmaI ?
522
+ _reflns.pdbx_netI_over_sigmaI 17.66
523
+ _reflns.pdbx_res_netI_over_av_sigmaI_2 ?
524
+ _reflns.pdbx_res_netI_over_sigmaI_2 ?
525
+ _reflns.pdbx_chi_squared ?
526
+ _reflns.pdbx_scaling_rejects ?
527
+ _reflns.pdbx_d_res_high_opt ?
528
+ _reflns.pdbx_d_res_low_opt ?
529
+ _reflns.pdbx_d_res_opt_method ?
530
+ _reflns.phase_calculation_details ?
531
+ _reflns.pdbx_Rrim_I_all ?
532
+ _reflns.pdbx_Rpim_I_all ?
533
+ _reflns.pdbx_d_opt ?
534
+ _reflns.pdbx_number_measured_all ?
535
+ _reflns.pdbx_diffrn_id 1
536
+ _reflns.pdbx_ordinal 1
537
+ _reflns.pdbx_CC_half ?
538
+ _reflns.pdbx_R_split ?
539
+ #
540
+ _reflns_shell.d_res_high 1.81
541
+ _reflns_shell.d_res_low 1.92
542
+ _reflns_shell.meanI_over_sigI_all ?
543
+ _reflns_shell.meanI_over_sigI_obs 1.96
544
+ _reflns_shell.number_measured_all ?
545
+ _reflns_shell.number_measured_obs ?
546
+ _reflns_shell.number_possible ?
547
+ _reflns_shell.number_unique_all ?
548
+ _reflns_shell.number_unique_obs ?
549
+ _reflns_shell.percent_possible_all 99.1
550
+ _reflns_shell.percent_possible_obs ?
551
+ _reflns_shell.Rmerge_F_all ?
552
+ _reflns_shell.Rmerge_F_obs ?
553
+ _reflns_shell.Rmerge_I_all ?
554
+ _reflns_shell.Rmerge_I_obs 1.355
555
+ _reflns_shell.meanI_over_sigI_gt ?
556
+ _reflns_shell.meanI_over_uI_all ?
557
+ _reflns_shell.meanI_over_uI_gt ?
558
+ _reflns_shell.number_measured_gt ?
559
+ _reflns_shell.number_unique_gt ?
560
+ _reflns_shell.percent_possible_gt ?
561
+ _reflns_shell.Rmerge_F_gt ?
562
+ _reflns_shell.Rmerge_I_gt ?
563
+ _reflns_shell.pdbx_redundancy 6.6
564
+ _reflns_shell.pdbx_Rsym_value ?
565
+ _reflns_shell.pdbx_chi_squared ?
566
+ _reflns_shell.pdbx_netI_over_sigmaI_all ?
567
+ _reflns_shell.pdbx_netI_over_sigmaI_obs ?
568
+ _reflns_shell.pdbx_Rrim_I_all ?
569
+ _reflns_shell.pdbx_Rpim_I_all ?
570
+ _reflns_shell.pdbx_rejects ?
571
+ _reflns_shell.pdbx_ordinal 1
572
+ _reflns_shell.pdbx_diffrn_id 1
573
+ _reflns_shell.pdbx_CC_half ?
574
+ _reflns_shell.pdbx_R_split ?
575
+ #
576
+ _refine.aniso_B[1][1] ?
577
+ _refine.aniso_B[1][2] ?
578
+ _refine.aniso_B[1][3] ?
579
+ _refine.aniso_B[2][2] ?
580
+ _refine.aniso_B[2][3] ?
581
+ _refine.aniso_B[3][3] ?
582
+ _refine.B_iso_max ?
583
+ _refine.B_iso_mean 47.30
584
+ _refine.B_iso_min ?
585
+ _refine.correlation_coeff_Fo_to_Fc ?
586
+ _refine.correlation_coeff_Fo_to_Fc_free ?
587
+ _refine.details ?
588
+ _refine.diff_density_max ?
589
+ _refine.diff_density_max_esd ?
590
+ _refine.diff_density_min ?
591
+ _refine.diff_density_min_esd ?
592
+ _refine.diff_density_rms ?
593
+ _refine.diff_density_rms_esd ?
594
+ _refine.entry_id 4XW0
595
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
596
+ _refine.ls_abs_structure_details ?
597
+ _refine.ls_abs_structure_Flack ?
598
+ _refine.ls_abs_structure_Flack_esd ?
599
+ _refine.ls_abs_structure_Rogers ?
600
+ _refine.ls_abs_structure_Rogers_esd ?
601
+ _refine.ls_d_res_high 1.81
602
+ _refine.ls_d_res_low 26.910
603
+ _refine.ls_extinction_coef ?
604
+ _refine.ls_extinction_coef_esd ?
605
+ _refine.ls_extinction_expression ?
606
+ _refine.ls_extinction_method ?
607
+ _refine.ls_goodness_of_fit_all ?
608
+ _refine.ls_goodness_of_fit_all_esd ?
609
+ _refine.ls_goodness_of_fit_obs ?
610
+ _refine.ls_goodness_of_fit_obs_esd ?
611
+ _refine.ls_hydrogen_treatment ?
612
+ _refine.ls_matrix_type ?
613
+ _refine.ls_number_constraints ?
614
+ _refine.ls_number_parameters ?
615
+ _refine.ls_number_reflns_all ?
616
+ _refine.ls_number_reflns_obs 5239
617
+ _refine.ls_number_reflns_R_free 524
618
+ _refine.ls_number_reflns_R_work ?
619
+ _refine.ls_number_restraints ?
620
+ _refine.ls_percent_reflns_obs 99.43
621
+ _refine.ls_percent_reflns_R_free 10.00
622
+ _refine.ls_R_factor_all ?
623
+ _refine.ls_R_factor_obs 0.2298
624
+ _refine.ls_R_factor_R_free 0.2984
625
+ _refine.ls_R_factor_R_free_error ?
626
+ _refine.ls_R_factor_R_free_error_details ?
627
+ _refine.ls_R_factor_R_work 0.2237
628
+ _refine.ls_R_Fsqd_factor_obs ?
629
+ _refine.ls_R_I_factor_obs ?
630
+ _refine.ls_redundancy_reflns_all ?
631
+ _refine.ls_redundancy_reflns_obs ?
632
+ _refine.ls_restrained_S_all ?
633
+ _refine.ls_restrained_S_obs ?
634
+ _refine.ls_shift_over_esd_max ?
635
+ _refine.ls_shift_over_esd_mean ?
636
+ _refine.ls_structure_factor_coef ?
637
+ _refine.ls_weighting_details ?
638
+ _refine.ls_weighting_scheme ?
639
+ _refine.ls_wR_factor_all ?
640
+ _refine.ls_wR_factor_obs ?
641
+ _refine.ls_wR_factor_R_free ?
642
+ _refine.ls_wR_factor_R_work ?
643
+ _refine.occupancy_max ?
644
+ _refine.occupancy_min ?
645
+ _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL'
646
+ _refine.solvent_model_param_bsol ?
647
+ _refine.solvent_model_param_ksol ?
648
+ _refine.ls_R_factor_gt ?
649
+ _refine.ls_goodness_of_fit_gt ?
650
+ _refine.ls_goodness_of_fit_ref ?
651
+ _refine.ls_shift_over_su_max ?
652
+ _refine.ls_shift_over_su_max_lt ?
653
+ _refine.ls_shift_over_su_mean ?
654
+ _refine.ls_shift_over_su_mean_lt ?
655
+ _refine.pdbx_ls_sigma_I ?
656
+ _refine.pdbx_ls_sigma_F 1.37
657
+ _refine.pdbx_ls_sigma_Fsqd ?
658
+ _refine.pdbx_data_cutoff_high_absF ?
659
+ _refine.pdbx_data_cutoff_high_rms_absF ?
660
+ _refine.pdbx_data_cutoff_low_absF ?
661
+ _refine.pdbx_isotropic_thermal_model ?
662
+ _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
663
+ _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
664
+ _refine.pdbx_starting_model 3GLP
665
+ _refine.pdbx_stereochemistry_target_values TWIN_LSQ_F
666
+ _refine.pdbx_R_Free_selection_details 'Random selection'
667
+ _refine.pdbx_stereochem_target_val_spec_case ?
668
+ _refine.pdbx_overall_ESU_R ?
669
+ _refine.pdbx_overall_ESU_R_Free ?
670
+ _refine.pdbx_solvent_vdw_probe_radii 1.11
671
+ _refine.pdbx_solvent_ion_probe_radii ?
672
+ _refine.pdbx_solvent_shrinkage_radii 0.90
673
+ _refine.pdbx_real_space_R ?
674
+ _refine.pdbx_density_correlation ?
675
+ _refine.pdbx_pd_number_of_powder_patterns ?
676
+ _refine.pdbx_pd_number_of_points ?
677
+ _refine.pdbx_pd_meas_number_of_points ?
678
+ _refine.pdbx_pd_proc_ls_prof_R_factor ?
679
+ _refine.pdbx_pd_proc_ls_prof_wR_factor ?
680
+ _refine.pdbx_pd_Marquardt_correlation_coeff ?
681
+ _refine.pdbx_pd_Fsqrd_R_factor ?
682
+ _refine.pdbx_pd_ls_matrix_band_width ?
683
+ _refine.pdbx_overall_phase_error 36.36
684
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
685
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
686
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
687
+ _refine.pdbx_TLS_residual_ADP_flag ?
688
+ _refine.pdbx_diffrn_id 1
689
+ _refine.overall_SU_B ?
690
+ _refine.overall_SU_ML ?
691
+ _refine.overall_SU_R_Cruickshank_DPI ?
692
+ _refine.overall_SU_R_free ?
693
+ _refine.overall_FOM_free_R_set ?
694
+ _refine.overall_FOM_work_R_set ?
695
+ _refine.pdbx_average_fsc_overall ?
696
+ _refine.pdbx_average_fsc_work ?
697
+ _refine.pdbx_average_fsc_free ?
698
+ #
699
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
700
+ _refine_hist.cycle_id LAST
701
+ _refine_hist.pdbx_number_atoms_protein 0
702
+ _refine_hist.pdbx_number_atoms_nucleic_acid 397
703
+ _refine_hist.pdbx_number_atoms_ligand 10
704
+ _refine_hist.number_atoms_solvent 22
705
+ _refine_hist.number_atoms_total 429
706
+ _refine_hist.d_res_high 1.81
707
+ _refine_hist.d_res_low 26.910
708
+ #
709
+ loop_
710
+ _refine_ls_restr.pdbx_refine_id
711
+ _refine_ls_restr.criterion
712
+ _refine_ls_restr.dev_ideal
713
+ _refine_ls_restr.dev_ideal_target
714
+ _refine_ls_restr.number
715
+ _refine_ls_restr.rejects
716
+ _refine_ls_restr.type
717
+ _refine_ls_restr.weight
718
+ _refine_ls_restr.pdbx_restraint_function
719
+ 'X-RAY DIFFRACTION' ? 0.007 ? 478 ? f_bond_d ? ?
720
+ 'X-RAY DIFFRACTION' ? 1.497 ? 743 ? f_angle_d ? ?
721
+ 'X-RAY DIFFRACTION' ? 13.957 ? 224 ? f_dihedral_angle_d ? ?
722
+ 'X-RAY DIFFRACTION' ? 0.051 ? 96 ? f_chiral_restr ? ?
723
+ 'X-RAY DIFFRACTION' ? 0.008 ? 20 ? f_plane_restr ? ?
724
+ #
725
+ loop_
726
+ _refine_ls_shell.pdbx_refine_id
727
+ _refine_ls_shell.d_res_high
728
+ _refine_ls_shell.d_res_low
729
+ _refine_ls_shell.number_reflns_all
730
+ _refine_ls_shell.number_reflns_obs
731
+ _refine_ls_shell.number_reflns_R_free
732
+ _refine_ls_shell.number_reflns_R_work
733
+ _refine_ls_shell.percent_reflns_obs
734
+ _refine_ls_shell.percent_reflns_R_free
735
+ _refine_ls_shell.R_factor_all
736
+ _refine_ls_shell.R_factor_obs
737
+ _refine_ls_shell.R_factor_R_free
738
+ _refine_ls_shell.R_factor_R_free_error
739
+ _refine_ls_shell.R_factor_R_work
740
+ _refine_ls_shell.redundancy_reflns_all
741
+ _refine_ls_shell.redundancy_reflns_obs
742
+ _refine_ls_shell.wR_factor_all
743
+ _refine_ls_shell.wR_factor_obs
744
+ _refine_ls_shell.wR_factor_R_free
745
+ _refine_ls_shell.wR_factor_R_work
746
+ _refine_ls_shell.pdbx_total_number_of_bins_used
747
+ _refine_ls_shell.pdbx_phase_error
748
+ _refine_ls_shell.pdbx_fsc_work
749
+ _refine_ls_shell.pdbx_fsc_free
750
+ 'X-RAY DIFFRACTION' 1.8066 1.9882 . . 129 1156 89.00 . . . 0.3712 . 0.3495 . . . . . . . . . .
751
+ 'X-RAY DIFFRACTION' 1.9882 2.2755 . . 131 1181 90.00 . . . 0.3189 . 0.2962 . . . . . . . . . .
752
+ 'X-RAY DIFFRACTION' 2.2755 2.8653 . . 131 1183 90.00 . . . 0.3786 . 0.2981 . . . . . . . . . .
753
+ 'X-RAY DIFFRACTION' 2.8653 19.00 . . 133 1189 89.00 . . . 0.2566 . 0.1729 . . . . . . . . . .
754
+ #
755
+ _struct.entry_id 4XW0
756
+ _struct.title 'Crystal structure of (GCCU(G-LNA)CCUGC)2 duplex'
757
+ _struct.pdbx_model_details ?
758
+ _struct.pdbx_formula_weight ?
759
+ _struct.pdbx_formula_weight_method ?
760
+ _struct.pdbx_model_type_details ?
761
+ _struct.pdbx_CASP_flag ?
762
+ #
763
+ _struct_keywords.entry_id 4XW0
764
+ _struct_keywords.text
765
+ ;CCUG repeats, RNA duplex, Myotonic Dystrophy type 2, tautomery, LNA residue, 3' overhanging nucleotides, RNA
766
+ ;
767
+ _struct_keywords.pdbx_keywords RNA
768
+ #
769
+ loop_
770
+ _struct_asym.id
771
+ _struct_asym.pdbx_blank_PDB_chainid_flag
772
+ _struct_asym.pdbx_modified
773
+ _struct_asym.entity_id
774
+ _struct_asym.details
775
+ A N N 1 ?
776
+ B N N 1 ?
777
+ C N N 2 ?
778
+ D N N 2 ?
779
+ E N N 3 ?
780
+ F N N 3 ?
781
+ #
782
+ _struct_ref.id 1
783
+ _struct_ref.db_name PDB
784
+ _struct_ref.db_code 4XW0
785
+ _struct_ref.pdbx_db_accession 4XW0
786
+ _struct_ref.pdbx_db_isoform ?
787
+ _struct_ref.entity_id 1
788
+ _struct_ref.pdbx_seq_one_letter_code ?
789
+ _struct_ref.pdbx_align_begin 1
790
+ #
791
+ loop_
792
+ _struct_ref_seq.align_id
793
+ _struct_ref_seq.ref_id
794
+ _struct_ref_seq.pdbx_PDB_id_code
795
+ _struct_ref_seq.pdbx_strand_id
796
+ _struct_ref_seq.seq_align_beg
797
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code
798
+ _struct_ref_seq.seq_align_end
799
+ _struct_ref_seq.pdbx_seq_align_end_ins_code
800
+ _struct_ref_seq.pdbx_db_accession
801
+ _struct_ref_seq.db_align_beg
802
+ _struct_ref_seq.pdbx_db_align_beg_ins_code
803
+ _struct_ref_seq.db_align_end
804
+ _struct_ref_seq.pdbx_db_align_end_ins_code
805
+ _struct_ref_seq.pdbx_auth_seq_align_beg
806
+ _struct_ref_seq.pdbx_auth_seq_align_end
807
+ 1 1 4XW0 A 1 ? 10 ? 4XW0 1 ? 10 ? 1 10
808
+ 2 1 4XW0 B 1 ? 10 ? 4XW0 1 ? 10 ? 1 10
809
+ #
810
+ _pdbx_struct_assembly.id 1
811
+ _pdbx_struct_assembly.details software_defined_assembly
812
+ _pdbx_struct_assembly.method_details PISA
813
+ _pdbx_struct_assembly.oligomeric_details dimeric
814
+ _pdbx_struct_assembly.oligomeric_count 2
815
+ #
816
+ loop_
817
+ _pdbx_struct_assembly_prop.biol_id
818
+ _pdbx_struct_assembly_prop.type
819
+ _pdbx_struct_assembly_prop.value
820
+ _pdbx_struct_assembly_prop.details
821
+ 1 'ABSA (A^2)' 2190 ?
822
+ 1 MORE -24 ?
823
+ 1 'SSA (A^2)' 3790 ?
824
+ #
825
+ _pdbx_struct_assembly_gen.assembly_id 1
826
+ _pdbx_struct_assembly_gen.oper_expression 1
827
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F
828
+ #
829
+ _pdbx_struct_oper_list.id 1
830
+ _pdbx_struct_oper_list.type 'identity operation'
831
+ _pdbx_struct_oper_list.name 1_555
832
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
833
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
834
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
835
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
836
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
837
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
838
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
839
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
840
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
841
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
842
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
843
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
844
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
845
+ #
846
+ loop_
847
+ _struct_conn.id
848
+ _struct_conn.conn_type_id
849
+ _struct_conn.pdbx_leaving_atom_flag
850
+ _struct_conn.pdbx_PDB_id
851
+ _struct_conn.ptnr1_label_asym_id
852
+ _struct_conn.ptnr1_label_comp_id
853
+ _struct_conn.ptnr1_label_seq_id
854
+ _struct_conn.ptnr1_label_atom_id
855
+ _struct_conn.pdbx_ptnr1_label_alt_id
856
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
857
+ _struct_conn.pdbx_ptnr1_standard_comp_id
858
+ _struct_conn.ptnr1_symmetry
859
+ _struct_conn.ptnr2_label_asym_id
860
+ _struct_conn.ptnr2_label_comp_id
861
+ _struct_conn.ptnr2_label_seq_id
862
+ _struct_conn.ptnr2_label_atom_id
863
+ _struct_conn.pdbx_ptnr2_label_alt_id
864
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
865
+ _struct_conn.ptnr1_auth_asym_id
866
+ _struct_conn.ptnr1_auth_comp_id
867
+ _struct_conn.ptnr1_auth_seq_id
868
+ _struct_conn.ptnr2_auth_asym_id
869
+ _struct_conn.ptnr2_auth_comp_id
870
+ _struct_conn.ptnr2_auth_seq_id
871
+ _struct_conn.ptnr2_symmetry
872
+ _struct_conn.pdbx_ptnr3_label_atom_id
873
+ _struct_conn.pdbx_ptnr3_label_seq_id
874
+ _struct_conn.pdbx_ptnr3_label_comp_id
875
+ _struct_conn.pdbx_ptnr3_label_asym_id
876
+ _struct_conn.pdbx_ptnr3_label_alt_id
877
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
878
+ _struct_conn.details
879
+ _struct_conn.pdbx_dist_value
880
+ _struct_conn.pdbx_value_order
881
+ _struct_conn.pdbx_role
882
+ covale1 covale both ? A U 4 "O3'" ? ? ? 1_555 A LCG 5 P ? ? A U 4 A LCG 5 1_555 ? ? ? ? ? ? ? 1.599 ? ?
883
+ covale2 covale both ? A LCG 5 "O3'" ? ? ? 1_555 A C 6 P ? ? A LCG 5 A C 6 1_555 ? ? ? ? ? ? ? 1.602 ? ?
884
+ covale3 covale both ? B U 4 "O3'" ? ? ? 1_555 B LCG 5 P ? ? B U 4 B LCG 5 1_555 ? ? ? ? ? ? ? 1.602 ? ?
885
+ covale4 covale both ? B LCG 5 "O3'" ? ? ? 1_555 B C 6 P ? ? B LCG 5 B C 6 1_555 ? ? ? ? ? ? ? 1.603 ? ?
886
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 B C 6 N3 ? ? A G 1 B C 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
887
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 B C 6 O2 ? ? A G 1 B C 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
888
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 B C 6 N4 ? ? A G 1 B C 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
889
+ hydrog4 hydrog ? ? A C 2 N3 ? ? ? 1_555 B LCG 5 N1 ? ? A C 2 B LCG 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
890
+ hydrog5 hydrog ? ? A C 2 N4 ? ? ? 1_555 B LCG 5 O6 ? ? A C 2 B LCG 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
891
+ hydrog6 hydrog ? ? A C 2 O2 ? ? ? 1_555 B LCG 5 N2 ? ? A C 2 B LCG 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
892
+ hydrog7 hydrog ? ? A C 3 N3 ? ? ? 1_555 B U 4 N3 ? ? A C 3 B U 4 1_555 ? ? ? ? ? ? TYPE_18_PAIR ? ? ?
893
+ hydrog8 hydrog ? ? A C 3 N4 ? ? ? 1_555 B U 4 O4 ? ? A C 3 B U 4 1_555 ? ? ? ? ? ? TYPE_18_PAIR ? ? ?
894
+ hydrog9 hydrog ? ? A U 4 N3 ? ? ? 1_555 B C 3 N3 ? ? A U 4 B C 3 1_555 ? ? ? ? ? ? TYPE_18_PAIR ? ? ?
895
+ hydrog10 hydrog ? ? A U 4 O4 ? ? ? 1_555 B C 3 N4 ? ? A U 4 B C 3 1_555 ? ? ? ? ? ? TYPE_18_PAIR ? ? ?
896
+ hydrog11 hydrog ? ? A LCG 5 N1 ? ? ? 1_555 B C 2 N3 ? ? A LCG 5 B C 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
897
+ hydrog12 hydrog ? ? A LCG 5 N2 ? ? ? 1_555 B C 2 O2 ? ? A LCG 5 B C 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
898
+ hydrog13 hydrog ? ? A LCG 5 O6 ? ? ? 1_555 B C 2 N4 ? ? A LCG 5 B C 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
899
+ hydrog14 hydrog ? ? A C 6 N3 ? ? ? 1_555 B G 1 N1 ? ? A C 6 B G 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
900
+ hydrog15 hydrog ? ? A C 6 N4 ? ? ? 1_555 B G 1 O6 ? ? A C 6 B G 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
901
+ hydrog16 hydrog ? ? A C 6 O2 ? ? ? 1_555 B G 1 N2 ? ? A C 6 B G 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
902
+ hydrog17 hydrog ? ? A U 8 O2 ? ? ? 1_555 A C 10 N4 ? ? A U 8 A C 10 1_555 ? ? ? ? ? ? 'U-C MISPAIR' ? ? ?
903
+ #
904
+ loop_
905
+ _struct_conn_type.id
906
+ _struct_conn_type.criteria
907
+ _struct_conn_type.reference
908
+ covale ? ?
909
+ hydrog ? ?
910
+ #
911
+ loop_
912
+ _struct_site.id
913
+ _struct_site.pdbx_evidence_code
914
+ _struct_site.pdbx_auth_asym_id
915
+ _struct_site.pdbx_auth_comp_id
916
+ _struct_site.pdbx_auth_seq_id
917
+ _struct_site.pdbx_auth_ins_code
918
+ _struct_site.pdbx_num_residues
919
+ _struct_site.details
920
+ AC1 Software A SO4 101 ? 2 'binding site for residue SO4 A 101'
921
+ AC2 Software A SO4 102 ? 4 'binding site for residue SO4 A 102'
922
+ AC3 Software B LCG 5 ? 8 'binding site for Di-nucleotide LCG B 5 and C B 6'
923
+ #
924
+ loop_
925
+ _struct_site_gen.id
926
+ _struct_site_gen.site_id
927
+ _struct_site_gen.pdbx_num_res
928
+ _struct_site_gen.label_comp_id
929
+ _struct_site_gen.label_asym_id
930
+ _struct_site_gen.label_seq_id
931
+ _struct_site_gen.pdbx_auth_ins_code
932
+ _struct_site_gen.auth_comp_id
933
+ _struct_site_gen.auth_asym_id
934
+ _struct_site_gen.auth_seq_id
935
+ _struct_site_gen.label_atom_id
936
+ _struct_site_gen.label_alt_id
937
+ _struct_site_gen.symmetry
938
+ _struct_site_gen.details
939
+ 1 AC1 2 C A 6 ? C A 6 . ? 1_555 ?
940
+ 2 AC1 2 C A 7 ? C A 7 . ? 1_555 ?
941
+ 3 AC2 4 C A 2 ? C A 2 . ? 1_555 ?
942
+ 4 AC2 4 C A 3 ? C A 3 . ? 1_555 ?
943
+ 5 AC2 4 HOH E . ? HOH A 202 . ? 1_555 ?
944
+ 6 AC2 4 HOH E . ? HOH A 210 . ? 1_555 ?
945
+ 7 AC3 8 G A 1 ? G A 1 . ? 1_555 ?
946
+ 8 AC3 8 C A 2 ? C A 2 . ? 1_555 ?
947
+ 9 AC3 8 C A 3 ? C A 3 . ? 1_555 ?
948
+ 10 AC3 8 LCG A 5 ? LCG A 5 . ? 4_465 ?
949
+ 11 AC3 8 C A 6 ? C A 6 . ? 4_465 ?
950
+ 12 AC3 8 U B 4 ? U B 4 . ? 1_555 ?
951
+ 13 AC3 8 C B 7 ? C B 7 . ? 1_555 ?
952
+ 14 AC3 8 HOH F . ? HOH B 106 . ? 1_555 ?
953
+ #
954
+ loop_
955
+ _pdbx_validate_rmsd_angle.id
956
+ _pdbx_validate_rmsd_angle.PDB_model_num
957
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
958
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
959
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
960
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
961
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
962
+ _pdbx_validate_rmsd_angle.label_alt_id_1
963
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
964
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
965
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
966
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
967
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
968
+ _pdbx_validate_rmsd_angle.label_alt_id_2
969
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
970
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
971
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
972
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
973
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
974
+ _pdbx_validate_rmsd_angle.label_alt_id_3
975
+ _pdbx_validate_rmsd_angle.angle_value
976
+ _pdbx_validate_rmsd_angle.angle_target_value
977
+ _pdbx_validate_rmsd_angle.angle_deviation
978
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
979
+ _pdbx_validate_rmsd_angle.linker_flag
980
+ 1 1 N1 A C 10 ? ? C2 A C 10 ? ? O2 A C 10 ? ? 124.99 118.90 6.09 0.60 N
981
+ 2 1 N3 A C 10 ? ? C2 A C 10 ? ? O2 A C 10 ? ? 116.53 121.90 -5.37 0.70 N
982
+ 3 1 C2 A C 10 ? ? N1 A C 10 ? ? "C1'" A C 10 ? ? 127.60 118.80 8.80 1.10 N
983
+ #
984
+ loop_
985
+ _chem_comp_atom.comp_id
986
+ _chem_comp_atom.atom_id
987
+ _chem_comp_atom.type_symbol
988
+ _chem_comp_atom.pdbx_aromatic_flag
989
+ _chem_comp_atom.pdbx_stereo_config
990
+ _chem_comp_atom.pdbx_ordinal
991
+ C OP3 O N N 1
992
+ C P P N N 2
993
+ C OP1 O N N 3
994
+ C OP2 O N N 4
995
+ C "O5'" O N N 5
996
+ C "C5'" C N N 6
997
+ C "C4'" C N R 7
998
+ C "O4'" O N N 8
999
+ C "C3'" C N S 9
1000
+ C "O3'" O N N 10
1001
+ C "C2'" C N R 11
1002
+ C "O2'" O N N 12
1003
+ C "C1'" C N R 13
1004
+ C N1 N N N 14
1005
+ C C2 C N N 15
1006
+ C O2 O N N 16
1007
+ C N3 N N N 17
1008
+ C C4 C N N 18
1009
+ C N4 N N N 19
1010
+ C C5 C N N 20
1011
+ C C6 C N N 21
1012
+ C HOP3 H N N 22
1013
+ C HOP2 H N N 23
1014
+ C "H5'" H N N 24
1015
+ C "H5''" H N N 25
1016
+ C "H4'" H N N 26
1017
+ C "H3'" H N N 27
1018
+ C "HO3'" H N N 28
1019
+ C "H2'" H N N 29
1020
+ C "HO2'" H N N 30
1021
+ C "H1'" H N N 31
1022
+ C H41 H N N 32
1023
+ C H42 H N N 33
1024
+ C H5 H N N 34
1025
+ C H6 H N N 35
1026
+ G OP3 O N N 36
1027
+ G P P N N 37
1028
+ G OP1 O N N 38
1029
+ G OP2 O N N 39
1030
+ G "O5'" O N N 40
1031
+ G "C5'" C N N 41
1032
+ G "C4'" C N R 42
1033
+ G "O4'" O N N 43
1034
+ G "C3'" C N S 44
1035
+ G "O3'" O N N 45
1036
+ G "C2'" C N R 46
1037
+ G "O2'" O N N 47
1038
+ G "C1'" C N R 48
1039
+ G N9 N Y N 49
1040
+ G C8 C Y N 50
1041
+ G N7 N Y N 51
1042
+ G C5 C Y N 52
1043
+ G C6 C N N 53
1044
+ G O6 O N N 54
1045
+ G N1 N N N 55
1046
+ G C2 C N N 56
1047
+ G N2 N N N 57
1048
+ G N3 N N N 58
1049
+ G C4 C Y N 59
1050
+ G HOP3 H N N 60
1051
+ G HOP2 H N N 61
1052
+ G "H5'" H N N 62
1053
+ G "H5''" H N N 63
1054
+ G "H4'" H N N 64
1055
+ G "H3'" H N N 65
1056
+ G "HO3'" H N N 66
1057
+ G "H2'" H N N 67
1058
+ G "HO2'" H N N 68
1059
+ G "H1'" H N N 69
1060
+ G H8 H N N 70
1061
+ G H1 H N N 71
1062
+ G H21 H N N 72
1063
+ G H22 H N N 73
1064
+ HOH O O N N 74
1065
+ HOH H1 H N N 75
1066
+ HOH H2 H N N 76
1067
+ LCG P P N N 77
1068
+ LCG OP1 O N N 78
1069
+ LCG "O5'" O N N 79
1070
+ LCG "C5'" C N N 80
1071
+ LCG "C3'" C N S 81
1072
+ LCG "C6'" C N N 82
1073
+ LCG N9 N Y N 83
1074
+ LCG C8 C Y N 84
1075
+ LCG C4 C Y N 85
1076
+ LCG N7 N Y N 86
1077
+ LCG C5 C Y N 87
1078
+ LCG C6 C N N 88
1079
+ LCG "C2'" C N R 89
1080
+ LCG O6 O N N 90
1081
+ LCG "C4'" C N R 91
1082
+ LCG "C1'" C N R 92
1083
+ LCG C2 C N N 93
1084
+ LCG N1 N N N 94
1085
+ LCG "O4'" O N N 95
1086
+ LCG OP2 O N N 96
1087
+ LCG N2 N N N 97
1088
+ LCG N3 N N N 98
1089
+ LCG "O2'" O N N 99
1090
+ LCG "O3'" O N N 100
1091
+ LCG OP3 O N N 101
1092
+ LCG "H5'" H N N 102
1093
+ LCG "H5''" H N N 103
1094
+ LCG "H3'" H N N 104
1095
+ LCG "H6'1" H N N 105
1096
+ LCG "H6'2" H N N 106
1097
+ LCG H8 H N N 107
1098
+ LCG "H2'" H N N 108
1099
+ LCG "H1'" H N N 109
1100
+ LCG H1 H N N 110
1101
+ LCG HOP2 H N N 111
1102
+ LCG H21 H N N 112
1103
+ LCG H22 H N N 113
1104
+ LCG "HO3'" H N N 114
1105
+ LCG HOP3 H N N 115
1106
+ SO4 S S N N 116
1107
+ SO4 O1 O N N 117
1108
+ SO4 O2 O N N 118
1109
+ SO4 O3 O N N 119
1110
+ SO4 O4 O N N 120
1111
+ U OP3 O N N 121
1112
+ U P P N N 122
1113
+ U OP1 O N N 123
1114
+ U OP2 O N N 124
1115
+ U "O5'" O N N 125
1116
+ U "C5'" C N N 126
1117
+ U "C4'" C N R 127
1118
+ U "O4'" O N N 128
1119
+ U "C3'" C N S 129
1120
+ U "O3'" O N N 130
1121
+ U "C2'" C N R 131
1122
+ U "O2'" O N N 132
1123
+ U "C1'" C N R 133
1124
+ U N1 N N N 134
1125
+ U C2 C N N 135
1126
+ U O2 O N N 136
1127
+ U N3 N N N 137
1128
+ U C4 C N N 138
1129
+ U O4 O N N 139
1130
+ U C5 C N N 140
1131
+ U C6 C N N 141
1132
+ U HOP3 H N N 142
1133
+ U HOP2 H N N 143
1134
+ U "H5'" H N N 144
1135
+ U "H5''" H N N 145
1136
+ U "H4'" H N N 146
1137
+ U "H3'" H N N 147
1138
+ U "HO3'" H N N 148
1139
+ U "H2'" H N N 149
1140
+ U "HO2'" H N N 150
1141
+ U "H1'" H N N 151
1142
+ U H3 H N N 152
1143
+ U H5 H N N 153
1144
+ U H6 H N N 154
1145
+ #
1146
+ loop_
1147
+ _chem_comp_bond.comp_id
1148
+ _chem_comp_bond.atom_id_1
1149
+ _chem_comp_bond.atom_id_2
1150
+ _chem_comp_bond.value_order
1151
+ _chem_comp_bond.pdbx_aromatic_flag
1152
+ _chem_comp_bond.pdbx_stereo_config
1153
+ _chem_comp_bond.pdbx_ordinal
1154
+ C OP3 P sing N N 1
1155
+ C OP3 HOP3 sing N N 2
1156
+ C P OP1 doub N N 3
1157
+ C P OP2 sing N N 4
1158
+ C P "O5'" sing N N 5
1159
+ C OP2 HOP2 sing N N 6
1160
+ C "O5'" "C5'" sing N N 7
1161
+ C "C5'" "C4'" sing N N 8
1162
+ C "C5'" "H5'" sing N N 9
1163
+ C "C5'" "H5''" sing N N 10
1164
+ C "C4'" "O4'" sing N N 11
1165
+ C "C4'" "C3'" sing N N 12
1166
+ C "C4'" "H4'" sing N N 13
1167
+ C "O4'" "C1'" sing N N 14
1168
+ C "C3'" "O3'" sing N N 15
1169
+ C "C3'" "C2'" sing N N 16
1170
+ C "C3'" "H3'" sing N N 17
1171
+ C "O3'" "HO3'" sing N N 18
1172
+ C "C2'" "O2'" sing N N 19
1173
+ C "C2'" "C1'" sing N N 20
1174
+ C "C2'" "H2'" sing N N 21
1175
+ C "O2'" "HO2'" sing N N 22
1176
+ C "C1'" N1 sing N N 23
1177
+ C "C1'" "H1'" sing N N 24
1178
+ C N1 C2 sing N N 25
1179
+ C N1 C6 sing N N 26
1180
+ C C2 O2 doub N N 27
1181
+ C C2 N3 sing N N 28
1182
+ C N3 C4 doub N N 29
1183
+ C C4 N4 sing N N 30
1184
+ C C4 C5 sing N N 31
1185
+ C N4 H41 sing N N 32
1186
+ C N4 H42 sing N N 33
1187
+ C C5 C6 doub N N 34
1188
+ C C5 H5 sing N N 35
1189
+ C C6 H6 sing N N 36
1190
+ G OP3 P sing N N 37
1191
+ G OP3 HOP3 sing N N 38
1192
+ G P OP1 doub N N 39
1193
+ G P OP2 sing N N 40
1194
+ G P "O5'" sing N N 41
1195
+ G OP2 HOP2 sing N N 42
1196
+ G "O5'" "C5'" sing N N 43
1197
+ G "C5'" "C4'" sing N N 44
1198
+ G "C5'" "H5'" sing N N 45
1199
+ G "C5'" "H5''" sing N N 46
1200
+ G "C4'" "O4'" sing N N 47
1201
+ G "C4'" "C3'" sing N N 48
1202
+ G "C4'" "H4'" sing N N 49
1203
+ G "O4'" "C1'" sing N N 50
1204
+ G "C3'" "O3'" sing N N 51
1205
+ G "C3'" "C2'" sing N N 52
1206
+ G "C3'" "H3'" sing N N 53
1207
+ G "O3'" "HO3'" sing N N 54
1208
+ G "C2'" "O2'" sing N N 55
1209
+ G "C2'" "C1'" sing N N 56
1210
+ G "C2'" "H2'" sing N N 57
1211
+ G "O2'" "HO2'" sing N N 58
1212
+ G "C1'" N9 sing N N 59
1213
+ G "C1'" "H1'" sing N N 60
1214
+ G N9 C8 sing Y N 61
1215
+ G N9 C4 sing Y N 62
1216
+ G C8 N7 doub Y N 63
1217
+ G C8 H8 sing N N 64
1218
+ G N7 C5 sing Y N 65
1219
+ G C5 C6 sing N N 66
1220
+ G C5 C4 doub Y N 67
1221
+ G C6 O6 doub N N 68
1222
+ G C6 N1 sing N N 69
1223
+ G N1 C2 sing N N 70
1224
+ G N1 H1 sing N N 71
1225
+ G C2 N2 sing N N 72
1226
+ G C2 N3 doub N N 73
1227
+ G N2 H21 sing N N 74
1228
+ G N2 H22 sing N N 75
1229
+ G N3 C4 sing N N 76
1230
+ HOH O H1 sing N N 77
1231
+ HOH O H2 sing N N 78
1232
+ LCG P OP1 doub N N 79
1233
+ LCG P "O5'" sing N N 80
1234
+ LCG P OP2 sing N N 81
1235
+ LCG P OP3 sing N N 82
1236
+ LCG "O5'" "C5'" sing N N 83
1237
+ LCG "C5'" "C4'" sing N N 84
1238
+ LCG "C5'" "H5'" sing N N 85
1239
+ LCG "C5'" "H5''" sing N N 86
1240
+ LCG "C3'" "C2'" sing N N 87
1241
+ LCG "C3'" "C4'" sing N N 88
1242
+ LCG "C3'" "O3'" sing N N 89
1243
+ LCG "C3'" "H3'" sing N N 90
1244
+ LCG "C6'" "C4'" sing N N 91
1245
+ LCG "C6'" "O2'" sing N N 92
1246
+ LCG "C6'" "H6'1" sing N N 93
1247
+ LCG "C6'" "H6'2" sing N N 94
1248
+ LCG N9 C8 sing Y N 95
1249
+ LCG N9 C4 sing Y N 96
1250
+ LCG N9 "C1'" sing N N 97
1251
+ LCG C8 N7 doub Y N 98
1252
+ LCG C8 H8 sing N N 99
1253
+ LCG C4 C5 doub Y N 100
1254
+ LCG C4 N3 sing N N 101
1255
+ LCG N7 C5 sing Y N 102
1256
+ LCG C5 C6 sing N N 103
1257
+ LCG C6 O6 doub N N 104
1258
+ LCG C6 N1 sing N N 105
1259
+ LCG "C2'" "C1'" sing N N 106
1260
+ LCG "C2'" "O2'" sing N N 107
1261
+ LCG "C2'" "H2'" sing N N 108
1262
+ LCG "C4'" "O4'" sing N N 109
1263
+ LCG "C1'" "O4'" sing N N 110
1264
+ LCG "C1'" "H1'" sing N N 111
1265
+ LCG C2 N1 sing N N 112
1266
+ LCG C2 N2 sing N N 113
1267
+ LCG C2 N3 doub N N 114
1268
+ LCG N1 H1 sing N N 115
1269
+ LCG OP2 HOP2 sing N N 116
1270
+ LCG N2 H21 sing N N 117
1271
+ LCG N2 H22 sing N N 118
1272
+ LCG "O3'" "HO3'" sing N N 119
1273
+ LCG OP3 HOP3 sing N N 120
1274
+ SO4 S O1 doub N N 121
1275
+ SO4 S O2 doub N N 122
1276
+ SO4 S O3 sing N N 123
1277
+ SO4 S O4 sing N N 124
1278
+ U OP3 P sing N N 125
1279
+ U OP3 HOP3 sing N N 126
1280
+ U P OP1 doub N N 127
1281
+ U P OP2 sing N N 128
1282
+ U P "O5'" sing N N 129
1283
+ U OP2 HOP2 sing N N 130
1284
+ U "O5'" "C5'" sing N N 131
1285
+ U "C5'" "C4'" sing N N 132
1286
+ U "C5'" "H5'" sing N N 133
1287
+ U "C5'" "H5''" sing N N 134
1288
+ U "C4'" "O4'" sing N N 135
1289
+ U "C4'" "C3'" sing N N 136
1290
+ U "C4'" "H4'" sing N N 137
1291
+ U "O4'" "C1'" sing N N 138
1292
+ U "C3'" "O3'" sing N N 139
1293
+ U "C3'" "C2'" sing N N 140
1294
+ U "C3'" "H3'" sing N N 141
1295
+ U "O3'" "HO3'" sing N N 142
1296
+ U "C2'" "O2'" sing N N 143
1297
+ U "C2'" "C1'" sing N N 144
1298
+ U "C2'" "H2'" sing N N 145
1299
+ U "O2'" "HO2'" sing N N 146
1300
+ U "C1'" N1 sing N N 147
1301
+ U "C1'" "H1'" sing N N 148
1302
+ U N1 C2 sing N N 149
1303
+ U N1 C6 sing N N 150
1304
+ U C2 O2 doub N N 151
1305
+ U C2 N3 sing N N 152
1306
+ U N3 C4 sing N N 153
1307
+ U N3 H3 sing N N 154
1308
+ U C4 O4 doub N N 155
1309
+ U C4 C5 sing N N 156
1310
+ U C5 C6 doub N N 157
1311
+ U C5 H5 sing N N 158
1312
+ U C6 H6 sing N N 159
1313
+ #
1314
+ loop_
1315
+ _ndb_struct_conf_na.entry_id
1316
+ _ndb_struct_conf_na.feature
1317
+ 4XW0 'double helix'
1318
+ 4XW0 'a-form double helix'
1319
+ #
1320
+ loop_
1321
+ _ndb_struct_na_base_pair.model_number
1322
+ _ndb_struct_na_base_pair.i_label_asym_id
1323
+ _ndb_struct_na_base_pair.i_label_comp_id
1324
+ _ndb_struct_na_base_pair.i_label_seq_id
1325
+ _ndb_struct_na_base_pair.i_symmetry
1326
+ _ndb_struct_na_base_pair.j_label_asym_id
1327
+ _ndb_struct_na_base_pair.j_label_comp_id
1328
+ _ndb_struct_na_base_pair.j_label_seq_id
1329
+ _ndb_struct_na_base_pair.j_symmetry
1330
+ _ndb_struct_na_base_pair.shear
1331
+ _ndb_struct_na_base_pair.stretch
1332
+ _ndb_struct_na_base_pair.stagger
1333
+ _ndb_struct_na_base_pair.buckle
1334
+ _ndb_struct_na_base_pair.propeller
1335
+ _ndb_struct_na_base_pair.opening
1336
+ _ndb_struct_na_base_pair.pair_number
1337
+ _ndb_struct_na_base_pair.pair_name
1338
+ _ndb_struct_na_base_pair.i_auth_asym_id
1339
+ _ndb_struct_na_base_pair.i_auth_seq_id
1340
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1341
+ _ndb_struct_na_base_pair.j_auth_asym_id
1342
+ _ndb_struct_na_base_pair.j_auth_seq_id
1343
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1344
+ _ndb_struct_na_base_pair.hbond_type_28
1345
+ _ndb_struct_na_base_pair.hbond_type_12
1346
+ 1 A G 1 1_555 B C 6 1_555 -0.258 -0.321 -0.141 -2.037 -3.495 -2.974 1 A_G1:C6_B A 1 ? B 6 ? 19 1
1347
+ 1 A C 2 1_555 B LCG 5 1_555 0.445 -0.037 -0.228 0.605 -7.346 0.370 2 A_C2:LCG5_B A 2 ? B 5 ? 19 1
1348
+ 1 A C 3 1_555 B U 4 1_555 0.386 -1.668 0.382 7.195 -5.746 15.043 3 A_C3:U4_B A 3 ? B 4 ? 18 1
1349
+ 1 A U 4 1_555 B C 3 1_555 -0.318 -1.431 0.239 -4.976 -8.928 18.064 4 A_U4:C3_B A 4 ? B 3 ? 18 1
1350
+ 1 A LCG 5 1_555 B C 2 1_555 -0.219 -0.092 -0.095 1.805 -5.834 1.916 5 A_LCG5:C2_B A 5 ? B 2 ? 19 1
1351
+ 1 A C 6 1_555 B G 1 1_555 0.420 -0.099 -0.013 1.248 -0.406 -0.706 6 A_C6:G1_B A 6 ? B 1 ? 19 1
1352
+ 1 A U 8 1_555 A C 10 1_555 6.510 0.839 -0.820 12.141 -18.660 -6.151 7 A_U8:C10_A A 8 ? A 10 ? ? 9
1353
+ #
1354
+ loop_
1355
+ _ndb_struct_na_base_pair_step.model_number
1356
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1357
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1358
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1359
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1360
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1361
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1362
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1363
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1364
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1365
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1366
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1367
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1368
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1369
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1370
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1371
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1372
+ _ndb_struct_na_base_pair_step.shift
1373
+ _ndb_struct_na_base_pair_step.slide
1374
+ _ndb_struct_na_base_pair_step.rise
1375
+ _ndb_struct_na_base_pair_step.tilt
1376
+ _ndb_struct_na_base_pair_step.roll
1377
+ _ndb_struct_na_base_pair_step.twist
1378
+ _ndb_struct_na_base_pair_step.x_displacement
1379
+ _ndb_struct_na_base_pair_step.y_displacement
1380
+ _ndb_struct_na_base_pair_step.helical_rise
1381
+ _ndb_struct_na_base_pair_step.inclination
1382
+ _ndb_struct_na_base_pair_step.tip
1383
+ _ndb_struct_na_base_pair_step.helical_twist
1384
+ _ndb_struct_na_base_pair_step.step_number
1385
+ _ndb_struct_na_base_pair_step.step_name
1386
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1387
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1388
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1389
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1390
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1391
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1392
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1393
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1394
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1395
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1396
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1397
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1398
+ 1 A G 1 1_555 B C 6 1_555 A C 2 1_555 B LCG 5 1_555 -0.420 -1.859 3.322 -1.502 3.377 31.628 -3.998 0.494 3.128 6.170
1399
+ 2.745 31.838 1 AA_G1C2:LCG5C6_BB A 1 ? B 6 ? A 2 ? B 5 ?
1400
+ 1 A C 2 1_555 B LCG 5 1_555 A C 3 1_555 B U 4 1_555 0.384 -1.626 3.117 -6.445 11.705 25.931 -5.382 -1.947 2.056 24.150
1401
+ 13.298 29.119 2 AA_C2C3:U4LCG5_BB A 2 ? B 5 ? A 3 ? B 4 ?
1402
+ 1 A C 3 1_555 B U 4 1_555 A U 4 1_555 B C 3 1_555 0.151 -1.123 3.618 3.225 18.678 34.364 -3.994 0.175 2.685 29.040
1403
+ -5.014 39.106 3 AA_C3U4:C3U4_BB A 3 ? B 4 ? A 4 ? B 3 ?
1404
+ 1 A U 4 1_555 B C 3 1_555 A LCG 5 1_555 B C 2 1_555 -0.451 -1.378 3.079 3.747 12.534 25.653 -5.139 1.615 2.105 26.171
1405
+ -7.824 28.746 4 AA_U4LCG5:C2C3_BB A 4 ? B 3 ? A 5 ? B 2 ?
1406
+ 1 A LCG 5 1_555 B C 2 1_555 A C 6 1_555 B G 1 1_555 0.409 -1.935 3.354 0.314 3.523 31.801 -4.143 -0.685 3.131 6.404
1407
+ -0.570 31.992 5 AA_LCG5C6:G1C2_BB A 5 ? B 2 ? A 6 ? B 1 ?
1408
+ #
1409
+ _pdbx_audit_support.funding_organization 'National Science Centre'
1410
+ _pdbx_audit_support.country Poland
1411
+ _pdbx_audit_support.grant_number UMO-2011/01/B/NZ1/04429
1412
+ _pdbx_audit_support.ordinal 1
1413
+ #
1414
+ _pdbx_initial_refinement_model.id 1
1415
+ _pdbx_initial_refinement_model.entity_id_list ?
1416
+ _pdbx_initial_refinement_model.type 'experimental model'
1417
+ _pdbx_initial_refinement_model.source_name PDB
1418
+ _pdbx_initial_refinement_model.accession_code 3GLP
1419
+ _pdbx_initial_refinement_model.details ?
1420
+ #
1421
+ _atom_sites.entry_id 4XW0
1422
+ _atom_sites.fract_transf_matrix[1][1] 0.037161
1423
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
1424
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
1425
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1426
+ _atom_sites.fract_transf_matrix[2][2] 0.037161
1427
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1428
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1429
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1430
+ _atom_sites.fract_transf_matrix[3][3] 0.012422
1431
+ _atom_sites.fract_transf_vector[1] 0.00000
1432
+ _atom_sites.fract_transf_vector[2] 0.00000
1433
+ _atom_sites.fract_transf_vector[3] 0.00000
1434
+ #
1435
+ loop_
1436
+ _atom_type.symbol
1437
+ C
1438
+ N
1439
+ O
1440
+ P
1441
+ S
1442
+ #
1443
+ loop_
1444
+ _atom_site.group_PDB
1445
+ _atom_site.id
1446
+ _atom_site.type_symbol
1447
+ _atom_site.label_atom_id
1448
+ _atom_site.label_alt_id
1449
+ _atom_site.label_comp_id
1450
+ _atom_site.label_asym_id
1451
+ _atom_site.label_entity_id
1452
+ _atom_site.label_seq_id
1453
+ _atom_site.pdbx_PDB_ins_code
1454
+ _atom_site.Cartn_x
1455
+ _atom_site.Cartn_y
1456
+ _atom_site.Cartn_z
1457
+ _atom_site.occupancy
1458
+ _atom_site.B_iso_or_equiv
1459
+ _atom_site.pdbx_formal_charge
1460
+ _atom_site.auth_seq_id
1461
+ _atom_site.auth_comp_id
1462
+ _atom_site.auth_asym_id
1463
+ _atom_site.auth_atom_id
1464
+ _atom_site.pdbx_PDB_model_num
1465
+ ATOM 1 O "O5'" . G A 1 1 ? 15.911 35.875 14.498 1.00 57.41 ? 1 G A "O5'" 1
1466
+ ATOM 2 C "C5'" . G A 1 1 ? 15.578 34.633 13.901 1.00 46.67 ? 1 G A "C5'" 1
1467
+ ATOM 3 C "C4'" . G A 1 1 ? 15.421 33.562 14.943 1.00 38.43 ? 1 G A "C4'" 1
1468
+ ATOM 4 O "O4'" . G A 1 1 ? 14.695 34.105 16.063 1.00 50.77 ? 1 G A "O4'" 1
1469
+ ATOM 5 C "C3'" . G A 1 1 ? 14.614 32.349 14.523 1.00 40.24 ? 1 G A "C3'" 1
1470
+ ATOM 6 O "O3'" . G A 1 1 ? 15.396 31.395 13.835 1.00 39.66 ? 1 G A "O3'" 1
1471
+ ATOM 7 C "C2'" . G A 1 1 ? 14.055 31.833 15.836 1.00 45.17 ? 1 G A "C2'" 1
1472
+ ATOM 8 O "O2'" . G A 1 1 ? 15.045 31.091 16.528 1.00 52.06 ? 1 G A "O2'" 1
1473
+ ATOM 9 C "C1'" . G A 1 1 ? 13.829 33.132 16.600 1.00 48.82 ? 1 G A "C1'" 1
1474
+ ATOM 10 N N9 . G A 1 1 ? 12.456 33.651 16.490 1.00 44.09 ? 1 G A N9 1
1475
+ ATOM 11 C C8 . G A 1 1 ? 12.115 34.840 15.900 1.00 40.84 ? 1 G A C8 1
1476
+ ATOM 12 N N7 . G A 1 1 ? 10.840 35.103 15.946 1.00 41.13 ? 1 G A N7 1
1477
+ ATOM 13 C C5 . G A 1 1 ? 10.306 34.013 16.626 1.00 38.97 ? 1 G A C5 1
1478
+ ATOM 14 C C6 . G A 1 1 ? 8.957 33.729 16.983 1.00 38.11 ? 1 G A C6 1
1479
+ ATOM 15 O O6 . G A 1 1 ? 7.927 34.401 16.780 1.00 35.91 ? 1 G A O6 1
1480
+ ATOM 16 N N1 . G A 1 1 ? 8.865 32.503 17.644 1.00 36.77 ? 1 G A N1 1
1481
+ ATOM 17 C C2 . G A 1 1 ? 9.922 31.669 17.933 1.00 41.15 ? 1 G A C2 1
1482
+ ATOM 18 N N2 . G A 1 1 ? 9.592 30.550 18.590 1.00 35.76 ? 1 G A N2 1
1483
+ ATOM 19 N N3 . G A 1 1 ? 11.185 31.918 17.612 1.00 36.68 ? 1 G A N3 1
1484
+ ATOM 20 C C4 . G A 1 1 ? 11.296 33.102 16.970 1.00 41.87 ? 1 G A C4 1
1485
+ ATOM 21 P P . C A 1 2 ? 14.759 30.634 12.579 1.00 49.53 ? 2 C A P 1
1486
+ ATOM 22 O OP1 . C A 1 2 ? 15.810 29.911 11.825 1.00 40.85 ? 2 C A OP1 1
1487
+ ATOM 23 O OP2 . C A 1 2 ? 13.848 31.581 11.892 1.00 44.47 ? 2 C A OP2 1
1488
+ ATOM 24 O "O5'" . C A 1 2 ? 13.790 29.574 13.246 1.00 49.09 ? 2 C A "O5'" 1
1489
+ ATOM 25 C "C5'" . C A 1 2 ? 14.279 28.554 14.086 1.00 35.17 ? 2 C A "C5'" 1
1490
+ ATOM 26 C "C4'" . C A 1 2 ? 13.120 27.804 14.660 1.00 31.45 ? 2 C A "C4'" 1
1491
+ ATOM 27 O "O4'" . C A 1 2 ? 12.420 28.667 15.579 1.00 36.02 ? 2 C A "O4'" 1
1492
+ ATOM 28 C "C3'" . C A 1 2 ? 12.030 27.387 13.684 1.00 36.33 ? 2 C A "C3'" 1
1493
+ ATOM 29 O "O3'" . C A 1 2 ? 12.347 26.248 12.912 1.00 36.20 ? 2 C A "O3'" 1
1494
+ ATOM 30 C "C2'" . C A 1 2 ? 10.860 27.168 14.614 1.00 35.59 ? 2 C A "C2'" 1
1495
+ ATOM 31 O "O2'" . C A 1 2 ? 11.032 25.944 15.320 1.00 36.68 ? 2 C A "O2'" 1
1496
+ ATOM 32 C "C1'" . C A 1 2 ? 11.046 28.336 15.584 1.00 35.13 ? 2 C A "C1'" 1
1497
+ ATOM 33 N N1 . C A 1 2 ? 10.273 29.519 15.148 1.00 36.71 ? 2 C A N1 1
1498
+ ATOM 34 C C2 . C A 1 2 ? 8.903 29.495 15.406 1.00 35.45 ? 2 C A C2 1
1499
+ ATOM 35 O O2 . C A 1 2 ? 8.438 28.503 15.995 1.00 35.47 ? 2 C A O2 1
1500
+ ATOM 36 N N3 . C A 1 2 ? 8.126 30.526 15.015 1.00 31.24 ? 2 C A N3 1
1501
+ ATOM 37 C C4 . C A 1 2 ? 8.671 31.555 14.388 1.00 30.91 ? 2 C A C4 1
1502
+ ATOM 38 N N4 . C A 1 2 ? 7.847 32.540 14.030 1.00 30.94 ? 2 C A N4 1
1503
+ ATOM 39 C C5 . C A 1 2 ? 10.070 31.611 14.104 1.00 39.32 ? 2 C A C5 1
1504
+ ATOM 40 C C6 . C A 1 2 ? 10.835 30.582 14.498 1.00 36.01 ? 2 C A C6 1
1505
+ ATOM 41 P P . C A 1 3 ? 11.718 26.058 11.448 1.00 35.27 ? 3 C A P 1
1506
+ ATOM 42 O OP1 . C A 1 3 ? 12.334 24.842 10.880 1.00 41.76 ? 3 C A OP1 1
1507
+ ATOM 43 O OP2 . C A 1 3 ? 11.792 27.330 10.695 1.00 51.84 ? 3 C A OP2 1
1508
+ ATOM 44 O "O5'" . C A 1 3 ? 10.173 25.800 11.707 1.00 39.53 ? 3 C A "O5'" 1
1509
+ ATOM 45 C "C5'" . C A 1 3 ? 9.725 24.597 12.296 1.00 34.07 ? 3 C A "C5'" 1
1510
+ ATOM 46 C "C4'" . C A 1 3 ? 8.224 24.593 12.442 1.00 40.22 ? 3 C A "C4'" 1
1511
+ ATOM 47 O "O4'" . C A 1 3 ? 7.768 25.724 13.230 1.00 32.67 ? 3 C A "O4'" 1
1512
+ ATOM 48 C "C3'" . C A 1 3 ? 7.406 24.703 11.169 1.00 34.67 ? 3 C A "C3'" 1
1513
+ ATOM 49 O "O3'" . C A 1 3 ? 7.388 23.497 10.430 1.00 44.07 ? 3 C A "O3'" 1
1514
+ ATOM 50 C "C2'" . C A 1 3 ? 6.043 25.115 11.710 1.00 35.69 ? 3 C A "C2'" 1
1515
+ ATOM 51 O "O2'" . C A 1 3 ? 5.390 24.004 12.310 1.00 36.23 ? 3 C A "O2'" 1
1516
+ ATOM 52 C "C1'" . C A 1 3 ? 6.449 26.066 12.839 1.00 31.34 ? 3 C A "C1'" 1
1517
+ ATOM 53 N N1 . C A 1 3 ? 6.412 27.495 12.440 1.00 37.96 ? 3 C A N1 1
1518
+ ATOM 54 C C2 . C A 1 3 ? 5.174 28.168 12.353 1.00 35.21 ? 3 C A C2 1
1519
+ ATOM 55 O O2 . C A 1 3 ? 4.117 27.545 12.596 1.00 34.58 ? 3 C A O2 1
1520
+ ATOM 56 N N3 . C A 1 3 ? 5.158 29.488 12.009 1.00 29.35 ? 3 C A N3 1
1521
+ ATOM 57 C C4 . C A 1 3 ? 6.300 30.121 11.759 1.00 29.97 ? 3 C A C4 1
1522
+ ATOM 58 N N4 . C A 1 3 ? 6.236 31.408 11.420 1.00 33.36 ? 3 C A N4 1
1523
+ ATOM 59 C C5 . C A 1 3 ? 7.564 29.466 11.839 1.00 35.26 ? 3 C A C5 1
1524
+ ATOM 60 C C6 . C A 1 3 ? 7.579 28.171 12.188 1.00 36.45 ? 3 C A C6 1
1525
+ ATOM 61 P P . U A 1 4 ? 7.507 23.513 8.825 1.00 41.00 ? 4 U A P 1
1526
+ ATOM 62 O OP1 . U A 1 4 ? 7.779 22.116 8.410 1.00 42.59 ? 4 U A OP1 1
1527
+ ATOM 63 O OP2 . U A 1 4 ? 8.454 24.602 8.442 1.00 35.76 ? 4 U A OP2 1
1528
+ ATOM 64 O "O5'" . U A 1 4 ? 6.031 23.895 8.360 1.00 35.46 ? 4 U A "O5'" 1
1529
+ ATOM 65 C "C5'" . U A 1 4 ? 4.945 23.011 8.562 1.00 28.35 ? 4 U A "C5'" 1
1530
+ ATOM 66 C "C4'" . U A 1 4 ? 3.654 23.677 8.164 1.00 40.37 ? 4 U A "C4'" 1
1531
+ ATOM 67 O "O4'" . U A 1 4 ? 3.407 24.810 9.023 1.00 31.96 ? 4 U A "O4'" 1
1532
+ ATOM 68 C "C3'" . U A 1 4 ? 3.612 24.268 6.761 1.00 38.95 ? 4 U A "C3'" 1
1533
+ ATOM 69 O "O3'" . U A 1 4 ? 3.330 23.295 5.776 1.00 39.23 ? 4 U A "O3'" 1
1534
+ ATOM 70 C "C2'" . U A 1 4 ? 2.526 25.322 6.882 1.00 41.55 ? 4 U A "C2'" 1
1535
+ ATOM 71 O "O2'" . U A 1 4 ? 1.237 24.720 6.842 1.00 40.03 ? 4 U A "O2'" 1
1536
+ ATOM 72 C "C1'" . U A 1 4 ? 2.770 25.840 8.297 1.00 36.69 ? 4 U A "C1'" 1
1537
+ ATOM 73 N N1 . U A 1 4 ? 3.640 27.040 8.329 1.00 35.93 ? 4 U A N1 1
1538
+ ATOM 74 C C2 . U A 1 4 ? 3.039 28.265 8.182 1.00 32.47 ? 4 U A C2 1
1539
+ ATOM 75 O O2 . U A 1 4 ? 1.847 28.409 7.983 1.00 40.25 ? 4 U A O2 1
1540
+ ATOM 76 N N3 . U A 1 4 ? 3.884 29.329 8.265 1.00 30.16 ? 4 U A N3 1
1541
+ ATOM 77 C C4 . U A 1 4 ? 5.241 29.304 8.468 1.00 32.62 ? 4 U A C4 1
1542
+ ATOM 78 O O4 . U A 1 4 ? 5.849 30.375 8.510 1.00 30.77 ? 4 U A O4 1
1543
+ ATOM 79 C C5 . U A 1 4 ? 5.796 27.994 8.626 1.00 28.86 ? 4 U A C5 1
1544
+ ATOM 80 C C6 . U A 1 4 ? 4.992 26.937 8.552 1.00 30.49 ? 4 U A C6 1
1545
+ HETATM 81 P P . LCG A 1 5 ? 4.377 22.978 4.610 1.00 44.04 ? 5 LCG A P 1
1546
+ HETATM 82 O OP1 . LCG A 1 5 ? 4.010 21.418 4.140 1.00 42.29 ? 5 LCG A OP1 1
1547
+ HETATM 83 O "O5'" . LCG A 1 5 ? 4.085 24.091 3.508 1.00 41.78 ? 5 LCG A "O5'" 1
1548
+ HETATM 84 C "C5'" . LCG A 1 5 ? 2.846 23.823 2.921 1.00 40.04 ? 5 LCG A "C5'" 1
1549
+ HETATM 85 C "C3'" . LCG A 1 5 ? 3.048 26.236 1.786 1.00 33.33 ? 5 LCG A "C3'" 1
1550
+ HETATM 86 C "C6'" . LCG A 1 5 ? 0.875 25.329 2.036 1.00 35.59 ? 5 LCG A "C6'" 1
1551
+ HETATM 87 N N9 . LCG A 1 5 ? 3.033 28.074 4.118 1.00 32.70 ? 5 LCG A N9 1
1552
+ HETATM 88 C C8 . LCG A 1 5 ? 4.253 27.684 4.494 1.00 30.99 ? 5 LCG A C8 1
1553
+ HETATM 89 C C4 . LCG A 1 5 ? 2.913 29.383 4.315 1.00 30.09 ? 5 LCG A C4 1
1554
+ HETATM 90 N N7 . LCG A 1 5 ? 4.917 28.750 4.924 1.00 35.07 ? 5 LCG A N7 1
1555
+ HETATM 91 C C5 . LCG A 1 5 ? 4.115 29.815 4.828 1.00 29.24 ? 5 LCG A C5 1
1556
+ HETATM 92 C C6 . LCG A 1 5 ? 4.294 31.239 5.129 1.00 28.28 ? 5 LCG A C6 1
1557
+ HETATM 93 C "C2'" . LCG A 1 5 ? 1.953 27.310 2.106 1.00 30.20 ? 5 LCG A "C2'" 1
1558
+ HETATM 94 O O6 . LCG A 1 5 ? 5.386 31.650 5.583 1.00 32.17 ? 5 LCG A O6 1
1559
+ HETATM 95 C "C4'" . LCG A 1 5 ? 2.266 25.181 2.722 1.00 37.63 ? 5 LCG A "C4'" 1
1560
+ HETATM 96 C "C1'" . LCG A 1 5 ? 1.945 27.247 3.580 1.00 34.83 ? 5 LCG A "C1'" 1
1561
+ HETATM 97 C C2 . LCG A 1 5 ? 2.009 31.666 4.377 1.00 22.99 ? 5 LCG A C2 1
1562
+ HETATM 98 N N1 . LCG A 1 5 ? 3.226 32.130 4.894 1.00 30.14 ? 5 LCG A N1 1
1563
+ HETATM 99 O "O4'" . LCG A 1 5 ? 2.174 25.873 3.889 1.00 41.90 ? 5 LCG A "O4'" 1
1564
+ HETATM 100 O OP2 . LCG A 1 5 ? 6.002 23.226 5.010 1.00 42.85 ? 5 LCG A OP2 1
1565
+ HETATM 101 N N2 . LCG A 1 5 ? 0.951 32.604 4.125 1.00 27.81 ? 5 LCG A N2 1
1566
+ HETATM 102 N N3 . LCG A 1 5 ? 1.812 30.298 4.083 1.00 28.33 ? 5 LCG A N3 1
1567
+ HETATM 103 O "O2'" . LCG A 1 5 ? 0.807 26.672 1.729 1.00 37.05 ? 5 LCG A "O2'" 1
1568
+ HETATM 104 O "O3'" . LCG A 1 5 ? 3.053 25.881 0.426 1.00 36.16 ? 5 LCG A "O3'" 1
1569
+ ATOM 105 P P . C A 1 6 ? 4.028 26.620 -0.608 1.00 39.30 ? 6 C A P 1
1570
+ ATOM 106 O OP1 . C A 1 6 ? 3.819 25.914 -1.890 1.00 45.11 ? 6 C A OP1 1
1571
+ ATOM 107 O OP2 . C A 1 6 ? 5.418 26.790 -0.112 1.00 40.49 ? 6 C A OP2 1
1572
+ ATOM 108 O "O5'" . C A 1 6 ? 3.379 28.056 -0.737 1.00 37.92 ? 6 C A "O5'" 1
1573
+ ATOM 109 C "C5'" . C A 1 6 ? 2.061 28.191 -1.234 1.00 36.50 ? 6 C A "C5'" 1
1574
+ ATOM 110 C "C4'" . C A 1 6 ? 1.615 29.620 -1.154 1.00 32.86 ? 6 C A "C4'" 1
1575
+ ATOM 111 O "O4'" . C A 1 6 ? 1.707 30.072 0.217 1.00 32.29 ? 6 C A "O4'" 1
1576
+ ATOM 112 C "C3'" . C A 1 6 ? 2.463 30.615 -1.916 1.00 31.08 ? 6 C A "C3'" 1
1577
+ ATOM 113 O "O3'" . C A 1 6 ? 2.159 30.660 -3.294 1.00 38.30 ? 6 C A "O3'" 1
1578
+ ATOM 114 C "C2'" . C A 1 6 ? 2.154 31.913 -1.197 1.00 31.52 ? 6 C A "C2'" 1
1579
+ ATOM 115 O "O2'" . C A 1 6 ? 0.876 32.376 -1.587 1.00 41.33 ? 6 C A "O2'" 1
1580
+ ATOM 116 C "C1'" . C A 1 6 ? 2.079 31.434 0.247 1.00 30.94 ? 6 C A "C1'" 1
1581
+ ATOM 117 N N1 . C A 1 6 ? 3.389 31.548 0.925 1.00 29.01 ? 6 C A N1 1
1582
+ ATOM 118 C C2 . C A 1 6 ? 3.789 32.808 1.323 1.00 30.98 ? 6 C A C2 1
1583
+ ATOM 119 O O2 . C A 1 6 ? 3.019 33.750 1.092 1.00 35.18 ? 6 C A O2 1
1584
+ ATOM 120 N N3 . C A 1 6 ? 4.977 32.968 1.950 1.00 33.70 ? 6 C A N3 1
1585
+ ATOM 121 C C4 . C A 1 6 ? 5.761 31.920 2.161 1.00 35.97 ? 6 C A C4 1
1586
+ ATOM 122 N N4 . C A 1 6 ? 6.926 32.123 2.778 1.00 36.52 ? 6 C A N4 1
1587
+ ATOM 123 C C5 . C A 1 6 ? 5.384 30.618 1.754 1.00 31.07 ? 6 C A C5 1
1588
+ ATOM 124 C C6 . C A 1 6 ? 4.203 30.475 1.141 1.00 30.60 ? 6 C A C6 1
1589
+ ATOM 125 P P . C A 1 7 ? 3.304 30.985 -4.358 1.00 36.53 ? 7 C A P 1
1590
+ ATOM 126 O OP1 . C A 1 7 ? 2.645 30.892 -5.699 1.00 37.24 ? 7 C A OP1 1
1591
+ ATOM 127 O OP2 . C A 1 7 ? 4.421 30.050 -4.057 1.00 41.91 ? 7 C A OP2 1
1592
+ ATOM 128 O "O5'" . C A 1 7 ? 3.825 32.459 -3.983 1.00 31.04 ? 7 C A "O5'" 1
1593
+ ATOM 129 C "C5'" . C A 1 7 ? 3.199 33.619 -4.505 1.00 33.67 ? 7 C A "C5'" 1
1594
+ ATOM 130 C "C4'" . C A 1 7 ? 3.547 34.896 -3.762 1.00 34.15 ? 7 C A "C4'" 1
1595
+ ATOM 131 O "O4'" . C A 1 7 ? 3.718 34.663 -2.343 1.00 38.86 ? 7 C A "O4'" 1
1596
+ ATOM 132 C "C3'" . C A 1 7 ? 4.821 35.635 -4.144 1.00 35.81 ? 7 C A "C3'" 1
1597
+ ATOM 133 O "O3'" . C A 1 7 ? 4.733 36.331 -5.373 1.00 36.00 ? 7 C A "O3'" 1
1598
+ ATOM 134 C "C2'" . C A 1 7 ? 4.986 36.565 -2.963 1.00 30.31 ? 7 C A "C2'" 1
1599
+ ATOM 135 O "O2'" . C A 1 7 ? 4.021 37.597 -3.026 1.00 40.61 ? 7 C A "O2'" 1
1600
+ ATOM 136 C "C1'" . C A 1 7 ? 4.593 35.643 -1.814 1.00 34.43 ? 7 C A "C1'" 1
1601
+ ATOM 137 N N1 . C A 1 7 ? 5.786 34.993 -1.231 1.00 29.41 ? 7 C A N1 1
1602
+ ATOM 138 C C2 . C A 1 7 ? 6.668 35.800 -0.493 1.00 32.64 ? 7 C A C2 1
1603
+ ATOM 139 O O2 . C A 1 7 ? 6.463 37.026 -0.311 1.00 32.80 ? 7 C A O2 1
1604
+ ATOM 140 N N3 . C A 1 7 ? 7.760 35.222 0.021 1.00 35.49 ? 7 C A N3 1
1605
+ ATOM 141 C C4 . C A 1 7 ? 7.998 33.921 -0.167 1.00 40.53 ? 7 C A C4 1
1606
+ ATOM 142 N N4 . C A 1 7 ? 9.106 33.422 0.392 1.00 37.66 ? 7 C A N4 1
1607
+ ATOM 143 C C5 . C A 1 7 ? 7.120 33.079 -0.917 1.00 34.51 ? 7 C A C5 1
1608
+ ATOM 144 C C6 . C A 1 7 ? 6.033 33.665 -1.435 1.00 33.04 ? 7 C A C6 1
1609
+ ATOM 145 P P . U A 1 8 ? 6.028 36.512 -6.309 1.00 41.52 ? 8 U A P 1
1610
+ ATOM 146 O OP1 . U A 1 8 ? 5.582 37.383 -7.437 1.00 36.09 ? 8 U A OP1 1
1611
+ ATOM 147 O OP2 . U A 1 8 ? 6.654 35.198 -6.552 1.00 32.28 ? 8 U A OP2 1
1612
+ ATOM 148 O "O5'" . U A 1 8 ? 7.090 37.280 -5.403 1.00 39.80 ? 8 U A "O5'" 1
1613
+ ATOM 149 C "C5'" . U A 1 8 ? 6.893 38.633 -5.034 1.00 37.14 ? 8 U A "C5'" 1
1614
+ ATOM 150 C "C4'" . U A 1 8 ? 7.958 39.092 -4.074 1.00 31.93 ? 8 U A "C4'" 1
1615
+ ATOM 151 O "O4'" . U A 1 8 ? 7.974 38.254 -2.896 1.00 36.88 ? 8 U A "O4'" 1
1616
+ ATOM 152 C "C3'" . U A 1 8 ? 9.372 39.021 -4.591 1.00 36.56 ? 8 U A "C3'" 1
1617
+ ATOM 153 O "O3'" . U A 1 8 ? 9.652 40.125 -5.411 1.00 39.43 ? 8 U A "O3'" 1
1618
+ ATOM 154 C "C2'" . U A 1 8 ? 10.183 38.985 -3.300 1.00 42.08 ? 8 U A "C2'" 1
1619
+ ATOM 155 O "O2'" . U A 1 8 ? 10.214 40.270 -2.713 1.00 41.55 ? 8 U A "O2'" 1
1620
+ ATOM 156 C "C1'" . U A 1 8 ? 9.297 38.110 -2.425 1.00 35.19 ? 8 U A "C1'" 1
1621
+ ATOM 157 N N1 . U A 1 8 ? 9.659 36.675 -2.510 1.00 39.91 ? 8 U A N1 1
1622
+ ATOM 158 C C2 . U A 1 8 ? 10.704 36.186 -1.745 1.00 36.41 ? 8 U A C2 1
1623
+ ATOM 159 O O2 . U A 1 8 ? 11.362 36.882 -0.990 1.00 39.84 ? 8 U A O2 1
1624
+ ATOM 160 N N3 . U A 1 8 ? 10.946 34.839 -1.889 1.00 37.33 ? 8 U A N3 1
1625
+ ATOM 161 C C4 . U A 1 8 ? 10.270 33.949 -2.716 1.00 50.36 ? 8 U A C4 1
1626
+ ATOM 162 O O4 . U A 1 8 ? 10.591 32.754 -2.771 1.00 55.71 ? 8 U A O4 1
1627
+ ATOM 163 C C5 . U A 1 8 ? 9.213 34.542 -3.472 1.00 39.90 ? 8 U A C5 1
1628
+ ATOM 164 C C6 . U A 1 8 ? 8.956 35.843 -3.345 1.00 37.31 ? 8 U A C6 1
1629
+ ATOM 165 P P . G A 1 9 ? 11.001 40.210 -6.247 1.00 39.90 ? 9 G A P 1
1630
+ ATOM 166 O OP1 . G A 1 9 ? 10.753 41.337 -7.178 1.00 45.87 ? 9 G A OP1 1
1631
+ ATOM 167 O OP2 . G A 1 9 ? 11.375 38.870 -6.751 1.00 34.51 ? 9 G A OP2 1
1632
+ ATOM 168 O "O5'" . G A 1 9 ? 12.066 40.696 -5.172 1.00 47.25 ? 9 G A "O5'" 1
1633
+ ATOM 169 C "C5'" . G A 1 9 ? 11.981 41.989 -4.574 1.00 45.47 ? 9 G A "C5'" 1
1634
+ ATOM 170 C "C4'" . G A 1 9 ? 13.332 42.457 -4.090 1.00 45.58 ? 9 G A "C4'" 1
1635
+ ATOM 171 O "O4'" . G A 1 9 ? 13.843 41.481 -3.148 1.00 46.34 ? 9 G A "O4'" 1
1636
+ ATOM 172 C "C3'" . G A 1 9 ? 14.397 42.587 -5.181 1.00 47.54 ? 9 G A "C3'" 1
1637
+ ATOM 173 O "O3'" . G A 1 9 ? 15.349 43.585 -4.821 1.00 58.20 ? 9 G A "O3'" 1
1638
+ ATOM 174 C "C2'" . G A 1 9 ? 15.079 41.235 -5.138 1.00 44.33 ? 9 G A "C2'" 1
1639
+ ATOM 175 O "O2'" . G A 1 9 ? 16.393 41.242 -5.642 1.00 49.27 ? 9 G A "O2'" 1
1640
+ ATOM 176 C "C1'" . G A 1 9 ? 15.041 40.915 -3.640 1.00 47.79 ? 9 G A "C1'" 1
1641
+ ATOM 177 N N9 . G A 1 9 ? 15.023 39.474 -3.355 1.00 43.37 ? 9 G A N9 1
1642
+ ATOM 178 C C8 . G A 1 9 ? 14.138 38.538 -3.846 1.00 41.64 ? 9 G A C8 1
1643
+ ATOM 179 N N7 . G A 1 9 ? 14.394 37.318 -3.462 1.00 38.30 ? 9 G A N7 1
1644
+ ATOM 180 C C5 . G A 1 9 ? 15.519 37.454 -2.661 1.00 38.02 ? 9 G A C5 1
1645
+ ATOM 181 C C6 . G A 1 9 ? 16.257 36.471 -1.956 1.00 39.64 ? 9 G A C6 1
1646
+ ATOM 182 O O6 . G A 1 9 ? 16.053 35.247 -1.892 1.00 34.97 ? 9 G A O6 1
1647
+ ATOM 183 N N1 . G A 1 9 ? 17.323 37.051 -1.281 1.00 35.35 ? 9 G A N1 1
1648
+ ATOM 184 C C2 . G A 1 9 ? 17.647 38.385 -1.281 1.00 38.04 ? 9 G A C2 1
1649
+ ATOM 185 N N2 . G A 1 9 ? 18.725 38.739 -0.565 1.00 38.33 ? 9 G A N2 1
1650
+ ATOM 186 N N3 . G A 1 9 ? 16.969 39.308 -1.926 1.00 40.85 ? 9 G A N3 1
1651
+ ATOM 187 C C4 . G A 1 9 ? 15.924 38.774 -2.588 1.00 44.27 ? 9 G A C4 1
1652
+ ATOM 188 P P . C A 1 10 ? 15.037 45.147 -5.053 1.00 68.35 ? 10 C A P 1
1653
+ ATOM 189 O OP1 . C A 1 10 ? 13.938 45.322 -6.039 1.00 59.35 ? 10 C A OP1 1
1654
+ ATOM 190 O OP2 . C A 1 10 ? 16.349 45.777 -5.315 1.00 62.56 ? 10 C A OP2 1
1655
+ ATOM 191 O "O5'" . C A 1 10 ? 14.449 45.644 -3.651 1.00 65.93 ? 10 C A "O5'" 1
1656
+ ATOM 192 C "C5'" . C A 1 10 ? 15.052 45.276 -2.416 1.00 56.47 ? 10 C A "C5'" 1
1657
+ ATOM 193 C "C4'" . C A 1 10 ? 14.083 45.341 -1.253 1.00 55.00 ? 10 C A "C4'" 1
1658
+ ATOM 194 O "O4'" . C A 1 10 ? 13.132 44.249 -1.345 1.00 60.70 ? 10 C A "O4'" 1
1659
+ ATOM 195 C "C3'" . C A 1 10 ? 14.723 45.168 0.117 1.00 64.86 ? 10 C A "C3'" 1
1660
+ ATOM 196 O "O3'" . C A 1 10 ? 15.261 46.372 0.628 1.00 88.52 ? 10 C A "O3'" 1
1661
+ ATOM 197 C "C2'" . C A 1 10 ? 13.605 44.568 0.971 1.00 53.94 ? 10 C A "C2'" 1
1662
+ ATOM 198 O "O2'" . C A 1 10 ? 12.729 45.555 1.496 1.00 55.78 ? 10 C A "O2'" 1
1663
+ ATOM 199 C "C1'" . C A 1 10 ? 12.850 43.732 -0.057 1.00 55.92 ? 10 C A "C1'" 1
1664
+ ATOM 200 N N1 . C A 1 10 ? 13.176 42.277 -0.011 1.00 47.25 ? 10 C A N1 1
1665
+ ATOM 201 C C2 . C A 1 10 ? 14.391 41.667 0.443 1.00 52.90 ? 10 C A C2 1
1666
+ ATOM 202 O O2 . C A 1 10 ? 15.406 42.290 0.832 1.00 53.71 ? 10 C A O2 1
1667
+ ATOM 203 N N3 . C A 1 10 ? 14.478 40.306 0.434 1.00 46.11 ? 10 C A N3 1
1668
+ ATOM 204 C C4 . C A 1 10 ? 13.466 39.536 0.029 1.00 45.53 ? 10 C A C4 1
1669
+ ATOM 205 N N4 . C A 1 10 ? 13.627 38.204 0.044 1.00 41.43 ? 10 C A N4 1
1670
+ ATOM 206 C C5 . C A 1 10 ? 12.247 40.121 -0.419 1.00 45.44 ? 10 C A C5 1
1671
+ ATOM 207 C C6 . C A 1 10 ? 12.152 41.464 -0.414 1.00 44.24 ? 10 C A C6 1
1672
+ ATOM 208 O "O5'" . G B 1 1 ? 8.646 43.281 6.044 1.00 54.41 ? 1 G B "O5'" 1
1673
+ ATOM 209 C "C5'" . G B 1 1 ? 7.682 42.280 6.304 1.00 42.49 ? 1 G B "C5'" 1
1674
+ ATOM 210 C "C4'" . G B 1 1 ? 6.557 42.302 5.302 1.00 40.41 ? 1 G B "C4'" 1
1675
+ ATOM 211 O "O4'" . G B 1 1 ? 7.012 41.701 4.070 1.00 48.09 ? 1 G B "O4'" 1
1676
+ ATOM 212 C "C3'" . G B 1 1 ? 5.360 41.474 5.724 1.00 46.77 ? 1 G B "C3'" 1
1677
+ ATOM 213 O "O3'" . G B 1 1 ? 4.427 42.224 6.466 1.00 45.36 ? 1 G B "O3'" 1
1678
+ ATOM 214 C "C2'" . G B 1 1 ? 4.805 40.929 4.428 1.00 39.27 ? 1 G B "C2'" 1
1679
+ ATOM 215 O "O2'" . G B 1 1 ? 3.966 41.891 3.823 1.00 49.85 ? 1 G B "O2'" 1
1680
+ ATOM 216 C "C1'" . G B 1 1 ? 6.071 40.771 3.599 1.00 43.27 ? 1 G B "C1'" 1
1681
+ ATOM 217 N N9 . G B 1 1 ? 6.681 39.435 3.735 1.00 41.57 ? 1 G B N9 1
1682
+ ATOM 218 C C8 . G B 1 1 ? 7.905 39.133 4.304 1.00 39.81 ? 1 G B C8 1
1683
+ ATOM 219 N N7 . G B 1 1 ? 8.191 37.855 4.272 1.00 41.28 ? 1 G B N7 1
1684
+ ATOM 220 C C5 . G B 1 1 ? 7.087 37.293 3.633 1.00 35.98 ? 1 G B C5 1
1685
+ ATOM 221 C C6 . G B 1 1 ? 6.793 35.945 3.289 1.00 35.39 ? 1 G B C6 1
1686
+ ATOM 222 O O6 . G B 1 1 ? 7.491 34.942 3.484 1.00 30.29 ? 1 G B O6 1
1687
+ ATOM 223 N N1 . G B 1 1 ? 5.534 35.817 2.670 1.00 30.19 ? 1 G B N1 1
1688
+ ATOM 224 C C2 . G B 1 1 ? 4.675 36.861 2.400 1.00 36.12 ? 1 G B C2 1
1689
+ ATOM 225 N N2 . G B 1 1 ? 3.514 36.566 1.786 1.00 29.00 ? 1 G B N2 1
1690
+ ATOM 226 N N3 . G B 1 1 ? 4.946 38.124 2.707 1.00 40.52 ? 1 G B N3 1
1691
+ ATOM 227 C C4 . G B 1 1 ? 6.149 38.258 3.308 1.00 35.24 ? 1 G B C4 1
1692
+ ATOM 228 P P . C B 1 2 ? 3.782 41.543 7.755 1.00 45.79 ? 2 C B P 1
1693
+ ATOM 229 O OP1 . C B 1 2 ? 3.116 42.568 8.572 1.00 47.89 ? 2 C B OP1 1
1694
+ ATOM 230 O OP2 . C B 1 2 ? 4.816 40.639 8.319 1.00 47.88 ? 2 C B OP2 1
1695
+ ATOM 231 O "O5'" . C B 1 2 ? 2.642 40.611 7.165 1.00 46.72 ? 2 C B "O5'" 1
1696
+ ATOM 232 C "C5'" . C B 1 2 ? 1.721 41.099 6.206 1.00 42.45 ? 2 C B "C5'" 1
1697
+ ATOM 233 C "C4'" . C B 1 2 ? 0.922 39.962 5.640 1.00 37.98 ? 2 C B "C4'" 1
1698
+ ATOM 234 O "O4'" . C B 1 2 ? 1.723 39.224 4.683 1.00 37.46 ? 2 C B "O4'" 1
1699
+ ATOM 235 C "C3'" . C B 1 2 ? 0.489 38.893 6.629 1.00 38.88 ? 2 C B "C3'" 1
1700
+ ATOM 236 O "O3'" . C B 1 2 ? -0.615 39.274 7.435 1.00 41.18 ? 2 C B "O3'" 1
1701
+ ATOM 237 C "C2'" . C B 1 2 ? 0.198 37.728 5.707 1.00 33.55 ? 2 C B "C2'" 1
1702
+ ATOM 238 O "O2'" . C B 1 2 ? -1.037 37.943 5.040 1.00 35.08 ? 2 C B "O2'" 1
1703
+ ATOM 239 C "C1'" . C B 1 2 ? 1.339 37.865 4.697 1.00 34.20 ? 2 C B "C1'" 1
1704
+ ATOM 240 N N1 . C B 1 2 ? 2.501 37.042 5.099 1.00 31.53 ? 2 C B N1 1
1705
+ ATOM 241 C C2 . C B 1 2 ? 2.476 35.650 4.888 1.00 30.82 ? 2 C B C2 1
1706
+ ATOM 242 O O2 . C B 1 2 ? 1.515 35.104 4.343 1.00 31.10 ? 2 C B O2 1
1707
+ ATOM 243 N N3 . C B 1 2 ? 3.515 34.891 5.268 1.00 33.62 ? 2 C B N3 1
1708
+ ATOM 244 C C4 . C B 1 2 ? 4.561 35.446 5.855 1.00 32.71 ? 2 C B C4 1
1709
+ ATOM 245 N N4 . C B 1 2 ? 5.563 34.628 6.213 1.00 28.90 ? 2 C B N4 1
1710
+ ATOM 246 C C5 . C B 1 2 ? 4.611 36.851 6.095 1.00 37.63 ? 2 C B C5 1
1711
+ ATOM 247 C C6 . C B 1 2 ? 3.578 37.608 5.705 1.00 36.63 ? 2 C B C6 1
1712
+ ATOM 248 P P . C B 1 3 ? -0.847 38.635 8.889 1.00 34.72 ? 3 C B P 1
1713
+ ATOM 249 O OP1 . C B 1 3 ? -2.074 39.262 9.424 1.00 45.16 ? 3 C B OP1 1
1714
+ ATOM 250 O OP2 . C B 1 3 ? 0.411 38.658 9.675 1.00 39.60 ? 3 C B OP2 1
1715
+ ATOM 251 O "O5'" . C B 1 3 ? -1.125 37.096 8.619 1.00 33.96 ? 3 C B "O5'" 1
1716
+ ATOM 252 C "C5'" . C B 1 3 ? -2.282 36.675 7.925 1.00 36.77 ? 3 C B "C5'" 1
1717
+ ATOM 253 C "C4'" . C B 1 3 ? -2.316 35.173 7.805 1.00 40.17 ? 3 C B "C4'" 1
1718
+ ATOM 254 O "O4'" . C B 1 3 ? -1.219 34.680 6.994 1.00 37.73 ? 3 C B "O4'" 1
1719
+ ATOM 255 C "C3'" . C B 1 3 ? -2.183 34.395 9.096 1.00 32.89 ? 3 C B "C3'" 1
1720
+ ATOM 256 O "O3'" . C B 1 3 ? -3.391 34.395 9.812 1.00 34.20 ? 3 C B "O3'" 1
1721
+ ATOM 257 C "C2'" . C B 1 3 ? -1.781 33.015 8.593 1.00 39.27 ? 3 C B "C2'" 1
1722
+ ATOM 258 O "O2'" . C B 1 3 ? -2.910 32.339 8.059 1.00 34.81 ? 3 C B "O2'" 1
1723
+ ATOM 259 C "C1'" . C B 1 3 ? -0.859 33.382 7.428 1.00 32.20 ? 3 C B "C1'" 1
1724
+ ATOM 260 N N1 . C B 1 3 ? 0.570 33.405 7.811 1.00 35.01 ? 3 C B N1 1
1725
+ ATOM 261 C C2 . C B 1 3 ? 1.263 32.195 7.868 1.00 29.69 ? 3 C B C2 1
1726
+ ATOM 262 O O2 . C B 1 3 ? 0.647 31.145 7.605 1.00 37.45 ? 3 C B O2 1
1727
+ ATOM 263 N N3 . C B 1 3 ? 2.576 32.212 8.197 1.00 28.88 ? 3 C B N3 1
1728
+ ATOM 264 C C4 . C B 1 3 ? 3.198 33.357 8.480 1.00 31.97 ? 3 C B C4 1
1729
+ ATOM 265 N N4 . C B 1 3 ? 4.505 33.318 8.799 1.00 32.28 ? 3 C B N4 1
1730
+ ATOM 266 C C5 . C B 1 3 ? 2.499 34.603 8.439 1.00 32.57 ? 3 C B C5 1
1731
+ ATOM 267 C C6 . C B 1 3 ? 1.201 34.585 8.099 1.00 30.11 ? 3 C B C6 1
1732
+ ATOM 268 P P . U B 1 4 ? -3.399 34.510 11.405 1.00 41.70 ? 4 U B P 1
1733
+ ATOM 269 O OP1 . U B 1 4 ? -4.823 34.769 11.717 1.00 37.49 ? 4 U B OP1 1
1734
+ ATOM 270 O OP2 . U B 1 4 ? -2.341 35.444 11.860 1.00 38.08 ? 4 U B OP2 1
1735
+ ATOM 271 O "O5'" . U B 1 4 ? -2.996 33.043 11.877 1.00 35.38 ? 4 U B "O5'" 1
1736
+ ATOM 272 C "C5'" . U B 1 4 ? -3.838 31.939 11.605 1.00 33.24 ? 4 U B "C5'" 1
1737
+ ATOM 273 C "C4'" . U B 1 4 ? -3.202 30.639 12.021 1.00 37.95 ? 4 U B "C4'" 1
1738
+ ATOM 274 O "O4'" . U B 1 4 ? -2.082 30.331 11.162 1.00 35.95 ? 4 U B "O4'" 1
1739
+ ATOM 275 C "C3'" . U B 1 4 ? -2.611 30.584 13.421 1.00 38.87 ? 4 U B "C3'" 1
1740
+ ATOM 276 O "O3'" . U B 1 4 ? -3.595 30.347 14.411 1.00 43.15 ? 4 U B "O3'" 1
1741
+ ATOM 277 C "C2'" . U B 1 4 ? -1.603 29.454 13.313 1.00 41.44 ? 4 U B "C2'" 1
1742
+ ATOM 278 O "O2'" . U B 1 4 ? -2.243 28.188 13.396 1.00 36.66 ? 4 U B "O2'" 1
1743
+ ATOM 279 C "C1'" . U B 1 4 ? -1.087 29.646 11.887 1.00 38.29 ? 4 U B "C1'" 1
1744
+ ATOM 280 N N1 . U B 1 4 ? 0.141 30.458 11.845 1.00 37.86 ? 4 U B N1 1
1745
+ ATOM 281 C C2 . U B 1 4 ? 1.345 29.835 12.100 1.00 36.76 ? 4 U B C2 1
1746
+ ATOM 282 O O2 . U B 1 4 ? 1.436 28.656 12.387 1.00 40.89 ? 4 U B O2 1
1747
+ ATOM 283 N N3 . U B 1 4 ? 2.442 30.645 12.004 1.00 30.39 ? 4 U B N3 1
1748
+ ATOM 284 C C4 . U B 1 4 ? 2.439 31.992 11.701 1.00 32.33 ? 4 U B C4 1
1749
+ ATOM 285 O O4 . U B 1 4 ? 3.507 32.606 11.651 1.00 34.33 ? 4 U B O4 1
1750
+ ATOM 286 C C5 . U B 1 4 ? 1.149 32.557 11.444 1.00 34.92 ? 4 U B C5 1
1751
+ ATOM 287 C C6 . U B 1 4 ? 0.067 31.787 11.519 1.00 34.12 ? 4 U B C6 1
1752
+ HETATM 288 P P . LCG B 1 5 ? -3.869 31.414 15.574 1.00 38.31 ? 5 LCG B P 1
1753
+ HETATM 289 O OP1 . LCG B 1 5 ? -5.430 31.074 16.077 1.00 43.44 ? 5 LCG B OP1 1
1754
+ HETATM 290 O "O5'" . LCG B 1 5 ? -2.746 31.116 16.684 1.00 41.63 ? 5 LCG B "O5'" 1
1755
+ HETATM 291 C "C5'" . LCG B 1 5 ? -2.992 29.911 17.351 1.00 36.84 ? 5 LCG B "C5'" 1
1756
+ HETATM 292 C "C3'" . LCG B 1 5 ? -0.543 29.988 18.439 1.00 35.82 ? 5 LCG B "C3'" 1
1757
+ HETATM 293 C "C6'" . LCG B 1 5 ? -1.587 27.862 18.262 1.00 36.12 ? 5 LCG B "C6'" 1
1758
+ HETATM 294 N N9 . LCG B 1 5 ? 1.193 29.835 16.107 1.00 34.36 ? 5 LCG B N9 1
1759
+ HETATM 295 C C8 . LCG B 1 5 ? 0.829 31.071 15.710 1.00 33.51 ? 5 LCG B C8 1
1760
+ HETATM 296 C C4 . LCG B 1 5 ? 2.507 29.713 15.931 1.00 32.34 ? 5 LCG B C4 1
1761
+ HETATM 297 N N7 . LCG B 1 5 ? 1.908 31.732 15.288 1.00 31.15 ? 5 LCG B N7 1
1762
+ HETATM 298 C C5 . LCG B 1 5 ? 2.972 30.914 15.416 1.00 32.52 ? 5 LCG B C5 1
1763
+ HETATM 299 C C6 . LCG B 1 5 ? 4.416 31.077 15.153 1.00 28.79 ? 5 LCG B C6 1
1764
+ HETATM 300 C "C2'" . LCG B 1 5 ? 0.436 28.796 18.143 1.00 33.63 ? 5 LCG B "C2'" 1
1765
+ HETATM 301 O O6 . LCG B 1 5 ? 4.877 32.164 14.700 1.00 29.22 ? 5 LCG B O6 1
1766
+ HETATM 302 C "C4'" . LCG B 1 5 ? -1.663 29.249 17.538 1.00 35.71 ? 5 LCG B "C4'" 1
1767
+ HETATM 303 C "C1'" . LCG B 1 5 ? 0.351 28.760 16.657 1.00 32.97 ? 5 LCG B "C1'" 1
1768
+ HETATM 304 C C2 . LCG B 1 5 ? 4.785 28.781 15.923 1.00 28.02 ? 5 LCG B C2 1
1769
+ HETATM 305 N N1 . LCG B 1 5 ? 5.278 29.994 15.415 1.00 27.64 ? 5 LCG B N1 1
1770
+ HETATM 306 O "O4'" . LCG B 1 5 ? -1.011 29.056 16.367 1.00 40.26 ? 5 LCG B "O4'" 1
1771
+ HETATM 307 O OP2 . LCG B 1 5 ? -3.635 33.006 15.065 1.00 39.90 ? 5 LCG B OP2 1
1772
+ HETATM 308 N N2 . LCG B 1 5 ? 5.693 27.691 16.203 1.00 32.11 ? 5 LCG B N2 1
1773
+ HETATM 309 N N3 . LCG B 1 5 ? 3.401 28.608 16.183 1.00 32.70 ? 5 LCG B N3 1
1774
+ HETATM 310 O "O2'" . LCG B 1 5 ? -0.260 27.724 18.630 1.00 36.81 ? 5 LCG B "O2'" 1
1775
+ HETATM 311 O "O3'" . LCG B 1 5 ? -0.986 30.063 19.770 1.00 40.44 ? 5 LCG B "O3'" 1
1776
+ ATOM 312 P P . C B 1 6 ? -0.236 30.963 20.864 1.00 39.47 ? 6 C B P 1
1777
+ ATOM 313 O OP1 . C B 1 6 ? -1.010 30.754 22.109 1.00 47.01 ? 6 C B OP1 1
1778
+ ATOM 314 O OP2 . C B 1 6 ? 0.106 32.330 20.390 1.00 38.60 ? 6 C B OP2 1
1779
+ ATOM 315 O "O5'" . C B 1 6 ? 1.181 30.274 21.003 1.00 42.07 ? 6 C B "O5'" 1
1780
+ ATOM 316 C "C5'" . C B 1 6 ? 1.323 28.968 21.524 1.00 34.86 ? 6 C B "C5'" 1
1781
+ ATOM 317 C "C4'" . C B 1 6 ? 2.764 28.557 21.425 1.00 36.74 ? 6 C B "C4'" 1
1782
+ ATOM 318 O "O4'" . C B 1 6 ? 3.218 28.696 20.046 1.00 34.76 ? 6 C B "O4'" 1
1783
+ ATOM 319 C "C3'" . C B 1 6 ? 3.742 29.417 22.195 1.00 29.20 ? 6 C B "C3'" 1
1784
+ ATOM 320 O "O3'" . C B 1 6 ? 3.775 29.147 23.580 1.00 31.41 ? 6 C B "O3'" 1
1785
+ ATOM 321 C "C2'" . C B 1 6 ? 5.043 29.100 21.497 1.00 26.89 ? 6 C B "C2'" 1
1786
+ ATOM 322 O "O2'" . C B 1 6 ? 5.450 27.797 21.870 1.00 31.28 ? 6 C B "O2'" 1
1787
+ ATOM 323 C "C1'" . C B 1 6 ? 4.588 29.053 20.042 1.00 30.76 ? 6 C B "C1'" 1
1788
+ ATOM 324 N N1 . C B 1 6 ? 4.762 30.361 19.359 1.00 30.63 ? 6 C B N1 1
1789
+ ATOM 325 C C2 . C B 1 6 ? 6.037 30.724 18.914 1.00 31.74 ? 6 C B C2 1
1790
+ ATOM 326 O O2 . C B 1 6 ? 6.986 29.952 19.087 1.00 31.71 ? 6 C B O2 1
1791
+ ATOM 327 N N3 . C B 1 6 ? 6.232 31.903 18.281 1.00 31.22 ? 6 C B N3 1
1792
+ ATOM 328 C C4 . C B 1 6 ? 5.222 32.736 18.093 1.00 32.48 ? 6 C B C4 1
1793
+ ATOM 329 N N4 . C B 1 6 ? 5.479 33.894 17.466 1.00 36.80 ? 6 C B N4 1
1794
+ ATOM 330 C C5 . C B 1 6 ? 3.918 32.408 18.542 1.00 29.56 ? 6 C B C5 1
1795
+ ATOM 331 C C6 . C B 1 6 ? 3.724 31.230 19.166 1.00 32.48 ? 6 C B C6 1
1796
+ ATOM 332 P P . C B 1 7 ? 4.116 30.317 24.614 1.00 34.43 ? 7 C B P 1
1797
+ ATOM 333 O OP1 . C B 1 7 ? 4.044 29.660 25.959 1.00 43.16 ? 7 C B OP1 1
1798
+ ATOM 334 O OP2 . C B 1 7 ? 3.248 31.483 24.306 1.00 35.35 ? 7 C B OP2 1
1799
+ ATOM 335 O "O5'" . C B 1 7 ? 5.606 30.783 24.248 1.00 33.82 ? 7 C B "O5'" 1
1800
+ ATOM 336 C "C5'" . C B 1 7 ? 6.738 30.113 24.770 1.00 35.31 ? 7 C B "C5'" 1
1801
+ ATOM 337 C "C4'" . C B 1 7 ? 8.019 30.461 24.046 1.00 35.46 ? 7 C B "C4'" 1
1802
+ ATOM 338 O "O4'" . C B 1 7 ? 7.783 30.653 22.631 1.00 37.69 ? 7 C B "O4'" 1
1803
+ ATOM 339 C "C3'" . C B 1 7 ? 8.733 31.733 24.449 1.00 38.78 ? 7 C B "C3'" 1
1804
+ ATOM 340 O "O3'" . C B 1 7 ? 9.434 31.616 25.667 1.00 44.92 ? 7 C B "O3'" 1
1805
+ ATOM 341 C "C2'" . C B 1 7 ? 9.660 31.954 23.268 1.00 34.58 ? 7 C B "C2'" 1
1806
+ ATOM 342 O "O2'" . C B 1 7 ? 10.757 31.060 23.335 1.00 36.00 ? 7 C B "O2'" 1
1807
+ ATOM 343 C "C1'" . C B 1 7 ? 8.760 31.533 22.106 1.00 38.41 ? 7 C B "C1'" 1
1808
+ ATOM 344 N N1 . C B 1 7 ? 8.107 32.710 21.483 1.00 34.81 ? 7 C B N1 1
1809
+ ATOM 345 C C2 . C B 1 7 ? 8.906 33.562 20.706 1.00 38.58 ? 7 C B C2 1
1810
+ ATOM 346 O O2 . C B 1 7 ? 10.127 33.334 20.522 1.00 42.08 ? 7 C B O2 1
1811
+ ATOM 347 N N3 . C B 1 7 ? 8.330 34.645 20.159 1.00 35.69 ? 7 C B N3 1
1812
+ ATOM 348 C C4 . C B 1 7 ? 7.045 34.904 20.347 1.00 33.09 ? 7 C B C4 1
1813
+ ATOM 349 N N4 . C B 1 7 ? 6.569 36.004 19.762 1.00 36.54 ? 7 C B N4 1
1814
+ ATOM 350 C C5 . C B 1 7 ? 6.204 34.066 21.133 1.00 34.31 ? 7 C B C5 1
1815
+ ATOM 351 C C6 . C B 1 7 ? 6.781 32.993 21.687 1.00 36.12 ? 7 C B C6 1
1816
+ ATOM 352 P P . U B 1 8 ? 9.617 32.898 26.614 1.00 42.78 ? 8 U B P 1
1817
+ ATOM 353 O OP1 . U B 1 8 ? 10.528 32.505 27.733 1.00 39.41 ? 8 U B OP1 1
1818
+ ATOM 354 O OP2 . U B 1 8 ? 8.266 33.459 26.854 1.00 34.24 ? 8 U B OP2 1
1819
+ ATOM 355 O "O5'" . U B 1 8 ? 10.396 33.956 25.716 1.00 43.93 ? 8 U B "O5'" 1
1820
+ ATOM 356 C "C5'" . U B 1 8 ? 11.755 33.770 25.356 1.00 36.43 ? 8 U B "C5'" 1
1821
+ ATOM 357 C "C4'" . U B 1 8 ? 12.199 34.839 24.384 1.00 34.61 ? 8 U B "C4'" 1
1822
+ ATOM 358 O "O4'" . U B 1 8 ? 11.302 34.866 23.249 1.00 43.56 ? 8 U B "O4'" 1
1823
+ ATOM 359 C "C3'" . U B 1 8 ? 12.181 36.268 24.894 1.00 39.22 ? 8 U B "C3'" 1
1824
+ ATOM 360 O "O3'" . U B 1 8 ? 13.329 36.569 25.657 1.00 40.45 ? 8 U B "O3'" 1
1825
+ ATOM 361 C "C2'" . U B 1 8 ? 12.102 37.072 23.604 1.00 46.35 ? 8 U B "C2'" 1
1826
+ ATOM 362 O "O2'" . U B 1 8 ? 13.382 37.109 22.989 1.00 51.13 ? 8 U B "O2'" 1
1827
+ ATOM 363 C "C1'" . U B 1 8 ? 11.194 36.184 22.752 1.00 43.58 ? 8 U B "C1'" 1
1828
+ ATOM 364 N N1 . U B 1 8 ? 9.768 36.588 22.793 1.00 41.25 ? 8 U B N1 1
1829
+ ATOM 365 C C2 . U B 1 8 ? 9.373 37.690 22.054 1.00 37.84 ? 8 U B C2 1
1830
+ ATOM 366 O O2 . U B 1 8 ? 10.132 38.360 21.366 1.00 40.24 ? 8 U B O2 1
1831
+ ATOM 367 N N3 . U B 1 8 ? 8.033 37.975 22.156 1.00 37.39 ? 8 U B N3 1
1832
+ ATOM 368 C C4 . U B 1 8 ? 7.077 37.290 22.887 1.00 45.41 ? 8 U B C4 1
1833
+ ATOM 369 O O4 . U B 1 8 ? 5.903 37.681 22.873 1.00 54.16 ? 8 U B O4 1
1834
+ ATOM 370 C C5 . U B 1 8 ? 7.569 36.161 23.618 1.00 35.30 ? 8 U B C5 1
1835
+ ATOM 371 C C6 . U B 1 8 ? 8.864 35.868 23.541 1.00 35.86 ? 8 U B C6 1
1836
+ ATOM 372 P P A G B 1 9 ? 13.283 37.747 26.741 0.50 42.72 ? 9 G B P 1
1837
+ ATOM 373 P P B G B 1 9 ? 13.356 37.837 26.631 0.50 42.69 ? 9 G B P 1
1838
+ ATOM 374 O OP1 A G B 1 9 ? 14.334 37.467 27.756 0.50 41.18 ? 9 G B OP1 1
1839
+ ATOM 375 O OP1 B G B 1 9 ? 14.357 37.546 27.693 0.50 41.19 ? 9 G B OP1 1
1840
+ ATOM 376 O OP2 A G B 1 9 ? 11.874 37.983 27.150 0.50 39.75 ? 9 G B OP2 1
1841
+ ATOM 377 O OP2 B G B 1 9 ? 11.958 38.202 26.986 0.50 39.68 ? 9 G B OP2 1
1842
+ ATOM 378 O "O5'" A G B 1 9 ? 13.736 39.023 25.915 0.50 44.10 ? 9 G B "O5'" 1
1843
+ ATOM 379 O "O5'" B G B 1 9 ? 13.923 39.000 25.709 0.50 44.40 ? 9 G B "O5'" 1
1844
+ ATOM 380 C "C5'" A G B 1 9 ? 15.041 39.106 25.366 0.50 45.47 ? 9 G B "C5'" 1
1845
+ ATOM 381 C "C5'" B G B 1 9 ? 15.120 38.839 24.951 0.50 43.67 ? 9 G B "C5'" 1
1846
+ ATOM 382 C "C4'" A G B 1 9 ? 15.342 40.513 24.918 0.50 43.94 ? 9 G B "C4'" 1
1847
+ ATOM 383 C "C4'" B G B 1 9 ? 15.555 40.148 24.333 0.50 41.81 ? 9 G B "C4'" 1
1848
+ ATOM 384 O "O4'" A G B 1 9 ? 14.739 40.732 23.616 0.50 40.89 ? 9 G B "O4'" 1
1849
+ ATOM 385 O "O4'" B G B 1 9 ? 14.529 40.589 23.400 0.50 41.10 ? 9 G B "O4'" 1
1850
+ ATOM 386 C "C3'" A G B 1 9 ? 14.769 41.625 25.790 0.50 42.61 ? 9 G B "C3'" 1
1851
+ ATOM 387 C "C3'" B G B 1 9 ? 15.745 41.303 25.319 0.50 42.00 ? 9 G B "C3'" 1
1852
+ ATOM 388 O "O3'" A G B 1 9 ? 15.544 41.914 26.950 0.50 42.47 ? 9 G B "O3'" 1
1853
+ ATOM 389 O "O3'" B G B 1 9 ? 16.721 42.206 24.804 0.50 44.54 ? 9 G B "O3'" 1
1854
+ ATOM 390 C "C2'" A G B 1 9 ? 14.660 42.785 24.808 0.50 41.17 ? 9 G B "C2'" 1
1855
+ ATOM 391 C "C2'" B G B 1 9 ? 14.387 41.987 25.277 0.50 42.94 ? 9 G B "C2'" 1
1856
+ ATOM 392 O "O2'" A G B 1 9 ? 15.929 43.379 24.593 0.50 41.57 ? 9 G B "O2'" 1
1857
+ ATOM 393 O "O2'" B G B 1 9 ? 14.376 43.328 25.711 0.50 40.76 ? 9 G B "O2'" 1
1858
+ ATOM 394 C "C1'" A G B 1 9 ? 14.252 42.055 23.529 0.50 43.20 ? 9 G B "C1'" 1
1859
+ ATOM 395 C "C1'" B G B 1 9 ? 14.042 41.858 23.796 0.50 43.34 ? 9 G B "C1'" 1
1860
+ ATOM 396 N N9 A G B 1 9 ? 12.782 42.016 23.384 0.50 41.25 ? 9 G B N9 1
1861
+ ATOM 397 N N9 B G B 1 9 ? 12.604 41.925 23.524 0.50 41.13 ? 9 G B N9 1
1862
+ ATOM 398 C C8 A G B 1 9 ? 11.896 41.101 23.907 0.50 40.85 ? 9 G B C8 1
1863
+ ATOM 399 C C8 B G B 1 9 ? 11.648 41.047 23.978 0.50 40.83 ? 9 G B C8 1
1864
+ ATOM 400 N N7 A G B 1 9 ? 10.652 41.370 23.617 0.50 39.04 ? 9 G B N7 1
1865
+ ATOM 401 N N7 B G B 1 9 ? 10.443 41.364 23.596 0.50 38.89 ? 9 G B N7 1
1866
+ ATOM 402 C C5 A G B 1 9 ? 10.724 42.535 22.866 0.50 36.99 ? 9 G B C5 1
1867
+ ATOM 403 C C5 B G B 1 9 ? 10.615 42.520 22.849 0.50 37.22 ? 9 G B C5 1
1868
+ ATOM 404 C C6 A G B 1 9 ? 9.698 43.303 22.274 0.50 36.74 ? 9 G B C6 1
1869
+ ATOM 405 C C6 B G B 1 9 ? 9.652 43.310 22.188 0.50 36.60 ? 9 G B C6 1
1870
+ ATOM 406 O O6 A G B 1 9 ? 8.478 43.099 22.298 0.50 35.31 ? 9 G B O6 1
1871
+ ATOM 407 O O6 B G B 1 9 ? 8.429 43.134 22.135 0.50 35.55 ? 9 G B O6 1
1872
+ ATOM 408 N N1 A G B 1 9 ? 10.221 44.405 21.606 0.50 37.34 ? 9 G B N1 1
1873
+ ATOM 409 N N1 B G B 1 9 ? 10.244 44.391 21.551 0.50 37.35 ? 9 G B N1 1
1874
+ ATOM 410 C C2 A G B 1 9 ? 11.551 44.728 21.513 0.50 37.62 ? 9 G B C2 1
1875
+ ATOM 411 C C2 B G B 1 9 ? 11.584 44.677 21.545 0.50 37.74 ? 9 G B C2 1
1876
+ ATOM 412 N N2 A G B 1 9 ? 11.843 45.837 20.820 0.50 35.69 ? 9 G B N2 1
1877
+ ATOM 413 N N2 B G B 1 9 ? 11.939 45.776 20.863 0.50 35.68 ? 9 G B N2 1
1878
+ ATOM 414 N N3 A G B 1 9 ? 12.518 44.020 22.065 0.50 38.69 ? 9 G B N3 1
1879
+ ATOM 415 N N3 B G B 1 9 ? 12.498 43.946 22.163 0.50 38.68 ? 9 G B N3 1
1880
+ ATOM 416 C C4 A G B 1 9 ? 12.030 42.949 22.719 0.50 39.90 ? 9 G B C4 1
1881
+ ATOM 417 C C4 B G B 1 9 ? 11.943 42.887 22.791 0.50 39.89 ? 9 G B C4 1
1882
+ ATOM 418 P P A C B 1 10 ? 14.832 42.305 28.350 0.50 45.52 ? 10 C B P 1
1883
+ ATOM 419 P P B C B 1 10 ? 18.287 41.961 25.055 0.50 44.41 ? 10 C B P 1
1884
+ ATOM 420 O OP1 A C B 1 10 ? 13.352 42.346 28.206 0.50 41.29 ? 10 C B OP1 1
1885
+ ATOM 421 O OP1 B C B 1 10 ? 18.477 41.840 26.516 0.50 37.55 ? 10 C B OP1 1
1886
+ ATOM 422 O OP2 A C B 1 10 ? 15.510 43.494 28.903 0.50 47.42 ? 10 C B OP2 1
1887
+ ATOM 423 O OP2 B C B 1 10 ? 18.968 43.032 24.300 0.50 42.26 ? 10 C B OP2 1
1888
+ HETATM 424 S S . SO4 C 2 . ? 9.547 29.602 1.542 1.00 104.08 ? 101 SO4 A S 1
1889
+ HETATM 425 O O1 . SO4 C 2 . ? 8.888 28.364 1.115 1.00 85.45 ? 101 SO4 A O1 1
1890
+ HETATM 426 O O2 . SO4 C 2 . ? 9.376 30.620 0.491 1.00 52.55 ? 101 SO4 A O2 1
1891
+ HETATM 427 O O3 . SO4 C 2 . ? 10.985 29.343 1.741 1.00 87.55 ? 101 SO4 A O3 1
1892
+ HETATM 428 O O4 . SO4 C 2 . ? 8.926 30.054 2.803 1.00 62.03 ? 101 SO4 A O4 1
1893
+ HETATM 429 S S . SO4 D 2 . ? 9.433 34.748 11.434 1.00 92.87 ? 102 SO4 A S 1
1894
+ HETATM 430 O O1 . SO4 D 2 . ? 8.901 33.495 10.837 1.00 48.17 ? 102 SO4 A O1 1
1895
+ HETATM 431 O O2 . SO4 D 2 . ? 9.240 35.826 10.456 1.00 88.52 ? 102 SO4 A O2 1
1896
+ HETATM 432 O O3 . SO4 D 2 . ? 10.867 34.637 11.761 1.00 57.40 ? 102 SO4 A O3 1
1897
+ HETATM 433 O O4 . SO4 D 2 . ? 8.707 35.125 12.659 1.00 60.67 ? 102 SO4 A O4 1
1898
+ HETATM 434 O O . HOH E 3 . ? 8.918 35.196 -6.805 1.00 34.93 ? 201 HOH A O 1
1899
+ HETATM 435 O O A HOH E 3 . ? 7.570 36.109 8.931 0.30 35.55 ? 202 HOH A O 1
1900
+ HETATM 436 O O B HOH E 3 . ? 6.797 35.559 9.438 0.70 37.50 ? 202 HOH A O 1
1901
+ HETATM 437 O O . HOH E 3 . ? 9.653 20.959 9.580 1.00 49.23 ? 203 HOH A O 1
1902
+ HETATM 438 O O . HOH E 3 . ? 0.460 34.991 -0.976 1.00 39.34 ? 204 HOH A O 1
1903
+ HETATM 439 O O . HOH E 3 . ? -0.820 28.306 8.667 1.00 44.29 ? 205 HOH A O 1
1904
+ HETATM 440 O O . HOH E 3 . ? 5.112 39.421 -0.648 1.00 37.61 ? 206 HOH A O 1
1905
+ HETATM 441 O O . HOH E 3 . ? 17.771 41.944 -1.550 1.00 47.55 ? 207 HOH A O 1
1906
+ HETATM 442 O O . HOH E 3 . ? -0.730 26.430 5.755 1.00 34.35 ? 208 HOH A O 1
1907
+ HETATM 443 O O . HOH E 3 . ? 7.285 36.789 15.274 1.00 39.21 ? 209 HOH A O 1
1908
+ HETATM 444 O O . HOH E 3 . ? 9.769 37.493 14.200 1.00 43.53 ? 210 HOH A O 1
1909
+ HETATM 445 O O . HOH E 3 . ? 7.242 20.310 5.870 1.00 43.35 ? 211 HOH A O 1
1910
+ HETATM 446 O O . HOH E 3 . ? 9.320 27.072 8.847 1.00 39.62 ? 212 HOH A O 1
1911
+ HETATM 447 O O . HOH E 3 . ? -0.682 26.169 9.993 1.00 42.24 ? 213 HOH A O 1
1912
+ HETATM 448 O O . HOH E 3 . ? 12.371 30.999 -4.796 1.00 44.78 ? 214 HOH A O 1
1913
+ HETATM 449 O O . HOH F 3 . ? -4.195 39.824 7.772 1.00 33.18 ? 101 HOH B O 1
1914
+ HETATM 450 O O . HOH F 3 . ? 12.578 31.909 20.987 1.00 42.49 ? 102 HOH B O 1
1915
+ HETATM 451 O O . HOH F 3 . ? -0.356 28.914 6.022 1.00 30.05 ? 103 HOH B O 1
1916
+ HETATM 452 O O . HOH F 3 . ? 1.482 25.856 11.525 1.00 37.94 ? 104 HOH B O 1
1917
+ HETATM 453 O O . HOH F 3 . ? 2.621 36.102 19.267 1.00 44.01 ? 105 HOH B O 1
1918
+ HETATM 454 O O . HOH F 3 . ? 2.897 35.077 17.341 1.00 47.97 ? 106 HOH B O 1
1919
+ HETATM 455 O O . HOH F 3 . ? 3.350 33.403 22.519 1.00 40.86 ? 107 HOH B O 1
1920
+ HETATM 456 O O . HOH F 3 . ? 1.661 38.672 1.102 1.00 39.90 ? 108 HOH B O 1
1921
+ #
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