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@@ -0,0 +1,1324 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1I4B
2
+ #
3
+ _entry.id 1I4B
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 1I4B pdb_00001i4b 10.2210/pdb1i4b/pdb
15
+ RCSB RCSB012886 ? ?
16
+ WWPDB D_1000012886 ? ?
17
+ #
18
+ loop_
19
+ _pdbx_audit_revision_history.ordinal
20
+ _pdbx_audit_revision_history.data_content_type
21
+ _pdbx_audit_revision_history.major_revision
22
+ _pdbx_audit_revision_history.minor_revision
23
+ _pdbx_audit_revision_history.revision_date
24
+ 1 'Structure model' 1 0 2001-04-21
25
+ 2 'Structure model' 1 1 2008-04-27
26
+ 3 'Structure model' 1 2 2011-07-13
27
+ 4 'Structure model' 1 3 2022-02-23
28
+ 5 'Structure model' 1 4 2024-05-22
29
+ #
30
+ _pdbx_audit_revision_details.ordinal 1
31
+ _pdbx_audit_revision_details.revision_ordinal 1
32
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
33
+ _pdbx_audit_revision_details.provider repository
34
+ _pdbx_audit_revision_details.type 'Initial release'
35
+ _pdbx_audit_revision_details.description ?
36
+ _pdbx_audit_revision_details.details ?
37
+ #
38
+ loop_
39
+ _pdbx_audit_revision_group.ordinal
40
+ _pdbx_audit_revision_group.revision_ordinal
41
+ _pdbx_audit_revision_group.data_content_type
42
+ _pdbx_audit_revision_group.group
43
+ 1 2 'Structure model' 'Version format compliance'
44
+ 2 3 'Structure model' 'Version format compliance'
45
+ 3 4 'Structure model' 'Data collection'
46
+ 4 4 'Structure model' 'Database references'
47
+ 5 4 'Structure model' 'Derived calculations'
48
+ 6 5 'Structure model' 'Data collection'
49
+ #
50
+ loop_
51
+ _pdbx_audit_revision_category.ordinal
52
+ _pdbx_audit_revision_category.revision_ordinal
53
+ _pdbx_audit_revision_category.data_content_type
54
+ _pdbx_audit_revision_category.category
55
+ 1 4 'Structure model' database_2
56
+ 2 4 'Structure model' pdbx_nmr_software
57
+ 3 4 'Structure model' pdbx_nmr_spectrometer
58
+ 4 4 'Structure model' pdbx_struct_assembly
59
+ 5 4 'Structure model' pdbx_struct_oper_list
60
+ 6 5 'Structure model' chem_comp_atom
61
+ 7 5 'Structure model' chem_comp_bond
62
+ #
63
+ loop_
64
+ _pdbx_audit_revision_item.ordinal
65
+ _pdbx_audit_revision_item.revision_ordinal
66
+ _pdbx_audit_revision_item.data_content_type
67
+ _pdbx_audit_revision_item.item
68
+ 1 4 'Structure model' '_database_2.pdbx_DOI'
69
+ 2 4 'Structure model' '_database_2.pdbx_database_accession'
70
+ 3 4 'Structure model' '_pdbx_nmr_software.name'
71
+ 4 4 'Structure model' '_pdbx_nmr_spectrometer.model'
72
+ #
73
+ _database_PDB_caveat.id 1
74
+ _database_PDB_caveat.text 'incorrect carbon chiral center(s)'
75
+ #
76
+ _pdbx_database_status.status_code REL
77
+ _pdbx_database_status.entry_id 1I4B
78
+ _pdbx_database_status.recvd_initial_deposition_date 2001-02-20
79
+ _pdbx_database_status.deposit_site RCSB
80
+ _pdbx_database_status.process_site RCSB
81
+ _pdbx_database_status.status_code_mr REL
82
+ _pdbx_database_status.status_code_sf ?
83
+ _pdbx_database_status.SG_entry N
84
+ _pdbx_database_status.pdb_format_compatible Y
85
+ _pdbx_database_status.status_code_cs ?
86
+ _pdbx_database_status.status_code_nmr_data ?
87
+ _pdbx_database_status.methods_development_category ?
88
+ #
89
+ loop_
90
+ _pdbx_database_related.db_name
91
+ _pdbx_database_related.db_id
92
+ _pdbx_database_related.details
93
+ _pdbx_database_related.content_type
94
+ PDB 1ESH
95
+ ;The solution structure of the Stem Loop C 5'AUA3' triloop of Brome Mosaic Virus (+) strand RNA
96
+ ;
97
+ unspecified
98
+ PDB 1I46
99
+ ;The solution structure of the mutant stem loop C 5'GUA3' triloop of Brome Mosaic Virus (+) strand RNA
100
+ ;
101
+ unspecified
102
+ #
103
+ loop_
104
+ _audit_author.name
105
+ _audit_author.pdbx_ordinal
106
+ 'Tinoco Jr., I.' 1
107
+ 'Kim, C.-H.' 2
108
+ #
109
+ loop_
110
+ _citation.id
111
+ _citation.title
112
+ _citation.journal_abbrev
113
+ _citation.journal_volume
114
+ _citation.page_first
115
+ _citation.page_last
116
+ _citation.year
117
+ _citation.journal_id_ASTM
118
+ _citation.country
119
+ _citation.journal_id_ISSN
120
+ _citation.journal_id_CSD
121
+ _citation.book_publisher
122
+ _citation.pdbx_database_id_PubMed
123
+ _citation.pdbx_database_id_DOI
124
+ primary
125
+ 'Structural and thermodynamic studies on mutant RNA motifs that impair the specificity between a viral replicase and its promoter'
126
+ J.Mol.Biol. 307 827 839 2001 JMOBAK UK 0022-2836 0070 ? 11273704 10.1006/jmbi.2001.4497
127
+ 1 'RNA motifs that determine specificity between a viral Replicase and its promoter' Nat.Struct.Biol. 7 415 423 2000
128
+ NSBIEW US 1072-8368 2024 ? ? 10.1038/75202
129
+ #
130
+ loop_
131
+ _citation_author.citation_id
132
+ _citation_author.name
133
+ _citation_author.ordinal
134
+ _citation_author.identifier_ORCID
135
+ primary 'Kim, C.-H.' 1 ?
136
+ primary 'Tinoco Jr., I.' 2 ?
137
+ 1 'Kao, C.C.' 3 ?
138
+ #
139
+ _entity.id 1
140
+ _entity.type polymer
141
+ _entity.src_method syn
142
+ _entity.pdbx_description "5'-R(*GP*GP*UP*GP*CP*UP*UP*AP*GP*CP*AP*CP*C)-3'"
143
+ _entity.formula_weight 4133.501
144
+ _entity.pdbx_number_of_molecules 1
145
+ _entity.pdbx_ec ?
146
+ _entity.pdbx_mutation ?
147
+ _entity.pdbx_fragment ?
148
+ _entity.details
149
+ ;THE MAJOR STRUCTURAL FAMILY OF 5'UUA3' MUTANT TRILOOP
150
+ ;
151
+ #
152
+ _entity_poly.entity_id 1
153
+ _entity_poly.type polyribonucleotide
154
+ _entity_poly.nstd_linkage no
155
+ _entity_poly.nstd_monomer no
156
+ _entity_poly.pdbx_seq_one_letter_code GGUGCUUAGCACC
157
+ _entity_poly.pdbx_seq_one_letter_code_can GGUGCUUAGCACC
158
+ _entity_poly.pdbx_strand_id A
159
+ _entity_poly.pdbx_target_identifier ?
160
+ #
161
+ loop_
162
+ _entity_poly_seq.entity_id
163
+ _entity_poly_seq.num
164
+ _entity_poly_seq.mon_id
165
+ _entity_poly_seq.hetero
166
+ 1 1 G n
167
+ 1 2 G n
168
+ 1 3 U n
169
+ 1 4 G n
170
+ 1 5 C n
171
+ 1 6 U n
172
+ 1 7 U n
173
+ 1 8 A n
174
+ 1 9 G n
175
+ 1 10 C n
176
+ 1 11 A n
177
+ 1 12 C n
178
+ 1 13 C n
179
+ #
180
+ _pdbx_entity_src_syn.entity_id 1
181
+ _pdbx_entity_src_syn.pdbx_src_id 1
182
+ _pdbx_entity_src_syn.pdbx_alt_source_flag sample
183
+ _pdbx_entity_src_syn.pdbx_beg_seq_num ?
184
+ _pdbx_entity_src_syn.pdbx_end_seq_num ?
185
+ _pdbx_entity_src_syn.organism_scientific ?
186
+ _pdbx_entity_src_syn.organism_common_name ?
187
+ _pdbx_entity_src_syn.ncbi_taxonomy_id ?
188
+ _pdbx_entity_src_syn.details
189
+ 'This sequence is a mutant triloop of which wild type sequence is naturally occured in BMV (+) strand RNA'
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
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
202
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
203
+ #
204
+ loop_
205
+ _pdbx_poly_seq_scheme.asym_id
206
+ _pdbx_poly_seq_scheme.entity_id
207
+ _pdbx_poly_seq_scheme.seq_id
208
+ _pdbx_poly_seq_scheme.mon_id
209
+ _pdbx_poly_seq_scheme.ndb_seq_num
210
+ _pdbx_poly_seq_scheme.pdb_seq_num
211
+ _pdbx_poly_seq_scheme.auth_seq_num
212
+ _pdbx_poly_seq_scheme.pdb_mon_id
213
+ _pdbx_poly_seq_scheme.auth_mon_id
214
+ _pdbx_poly_seq_scheme.pdb_strand_id
215
+ _pdbx_poly_seq_scheme.pdb_ins_code
216
+ _pdbx_poly_seq_scheme.hetero
217
+ A 1 1 G 1 1 1 G G A . n
218
+ A 1 2 G 2 2 2 G G A . n
219
+ A 1 3 U 3 3 3 U U A . n
220
+ A 1 4 G 4 4 4 G G A . n
221
+ A 1 5 C 5 5 5 C C A . n
222
+ A 1 6 U 6 6 6 U U A . n
223
+ A 1 7 U 7 7 7 U U A . n
224
+ A 1 8 A 8 8 8 A A A . n
225
+ A 1 9 G 9 9 9 G G A . n
226
+ A 1 10 C 10 10 10 C C A . n
227
+ A 1 11 A 11 11 11 A A A . n
228
+ A 1 12 C 12 12 12 C C A . n
229
+ A 1 13 C 13 13 13 C C A . n
230
+ #
231
+ _cell.entry_id 1I4B
232
+ _cell.length_a 1.000
233
+ _cell.length_b 1.000
234
+ _cell.length_c 1.000
235
+ _cell.angle_alpha 90.00
236
+ _cell.angle_beta 90.00
237
+ _cell.angle_gamma 90.00
238
+ _cell.Z_PDB 1
239
+ _cell.pdbx_unique_axis ?
240
+ #
241
+ _symmetry.entry_id 1I4B
242
+ _symmetry.space_group_name_H-M 'P 1'
243
+ _symmetry.pdbx_full_space_group_name_H-M ?
244
+ _symmetry.cell_setting ?
245
+ _symmetry.Int_Tables_number 1
246
+ #
247
+ _exptl.entry_id 1I4B
248
+ _exptl.method 'SOLUTION NMR'
249
+ _exptl.crystals_number ?
250
+ #
251
+ _database_PDB_matrix.entry_id 1I4B
252
+ _database_PDB_matrix.origx[1][1] 1.000000
253
+ _database_PDB_matrix.origx[1][2] 0.000000
254
+ _database_PDB_matrix.origx[1][3] 0.000000
255
+ _database_PDB_matrix.origx[2][1] 0.000000
256
+ _database_PDB_matrix.origx[2][2] 1.000000
257
+ _database_PDB_matrix.origx[2][3] 0.000000
258
+ _database_PDB_matrix.origx[3][1] 0.000000
259
+ _database_PDB_matrix.origx[3][2] 0.000000
260
+ _database_PDB_matrix.origx[3][3] 1.000000
261
+ _database_PDB_matrix.origx_vector[1] 0.00000
262
+ _database_PDB_matrix.origx_vector[2] 0.00000
263
+ _database_PDB_matrix.origx_vector[3] 0.00000
264
+ #
265
+ _struct.entry_id 1I4B
266
+ _struct.title
267
+ ;The solution structure of the major family of the mutant stem loop C 5'UUA3' triloop of brome mosaic virus (+) strand RNA
268
+ ;
269
+ _struct.pdbx_model_details ?
270
+ _struct.pdbx_CASP_flag ?
271
+ _struct.pdbx_model_type_details 'minimized average'
272
+ #
273
+ _struct_keywords.entry_id 1I4B
274
+ _struct_keywords.pdbx_keywords RNA
275
+ _struct_keywords.text 'RNA, Triloop, Stem-Loop, Mutant, Replication, BMV'
276
+ #
277
+ _struct_asym.id A
278
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
279
+ _struct_asym.pdbx_modified N
280
+ _struct_asym.entity_id 1
281
+ _struct_asym.details ?
282
+ #
283
+ _struct_ref.id 1
284
+ _struct_ref.entity_id 1
285
+ _struct_ref.db_name PDB
286
+ _struct_ref.db_code 1I4B
287
+ _struct_ref.pdbx_db_accession 1I4B
288
+ _struct_ref.pdbx_db_isoform ?
289
+ _struct_ref.pdbx_seq_one_letter_code ?
290
+ _struct_ref.pdbx_align_begin ?
291
+ #
292
+ _struct_ref_seq.align_id 1
293
+ _struct_ref_seq.ref_id 1
294
+ _struct_ref_seq.pdbx_PDB_id_code 1I4B
295
+ _struct_ref_seq.pdbx_strand_id A
296
+ _struct_ref_seq.seq_align_beg 1
297
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
298
+ _struct_ref_seq.seq_align_end 13
299
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
300
+ _struct_ref_seq.pdbx_db_accession 1I4B
301
+ _struct_ref_seq.db_align_beg 1
302
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
303
+ _struct_ref_seq.db_align_end 13
304
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
305
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
306
+ _struct_ref_seq.pdbx_auth_seq_align_end 13
307
+ #
308
+ _pdbx_struct_assembly.id 1
309
+ _pdbx_struct_assembly.details author_defined_assembly
310
+ _pdbx_struct_assembly.method_details ?
311
+ _pdbx_struct_assembly.oligomeric_details monomeric
312
+ _pdbx_struct_assembly.oligomeric_count 1
313
+ #
314
+ _pdbx_struct_assembly_gen.assembly_id 1
315
+ _pdbx_struct_assembly_gen.oper_expression 1
316
+ _pdbx_struct_assembly_gen.asym_id_list A
317
+ #
318
+ _pdbx_struct_oper_list.id 1
319
+ _pdbx_struct_oper_list.type 'identity operation'
320
+ _pdbx_struct_oper_list.name 1_555
321
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
322
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
323
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
324
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
325
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
326
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
327
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
328
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
329
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
330
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
331
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
332
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
333
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
334
+ #
335
+ _struct_biol.id 1
336
+ #
337
+ loop_
338
+ _struct_conn.id
339
+ _struct_conn.conn_type_id
340
+ _struct_conn.pdbx_leaving_atom_flag
341
+ _struct_conn.pdbx_PDB_id
342
+ _struct_conn.ptnr1_label_asym_id
343
+ _struct_conn.ptnr1_label_comp_id
344
+ _struct_conn.ptnr1_label_seq_id
345
+ _struct_conn.ptnr1_label_atom_id
346
+ _struct_conn.pdbx_ptnr1_label_alt_id
347
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
348
+ _struct_conn.pdbx_ptnr1_standard_comp_id
349
+ _struct_conn.ptnr1_symmetry
350
+ _struct_conn.ptnr2_label_asym_id
351
+ _struct_conn.ptnr2_label_comp_id
352
+ _struct_conn.ptnr2_label_seq_id
353
+ _struct_conn.ptnr2_label_atom_id
354
+ _struct_conn.pdbx_ptnr2_label_alt_id
355
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
356
+ _struct_conn.ptnr1_auth_asym_id
357
+ _struct_conn.ptnr1_auth_comp_id
358
+ _struct_conn.ptnr1_auth_seq_id
359
+ _struct_conn.ptnr2_auth_asym_id
360
+ _struct_conn.ptnr2_auth_comp_id
361
+ _struct_conn.ptnr2_auth_seq_id
362
+ _struct_conn.ptnr2_symmetry
363
+ _struct_conn.pdbx_ptnr3_label_atom_id
364
+ _struct_conn.pdbx_ptnr3_label_seq_id
365
+ _struct_conn.pdbx_ptnr3_label_comp_id
366
+ _struct_conn.pdbx_ptnr3_label_asym_id
367
+ _struct_conn.pdbx_ptnr3_label_alt_id
368
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
369
+ _struct_conn.details
370
+ _struct_conn.pdbx_dist_value
371
+ _struct_conn.pdbx_value_order
372
+ _struct_conn.pdbx_role
373
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 13 N3 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
374
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 13 O2 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
375
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 13 N4 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
376
+ hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
377
+ hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
378
+ hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
379
+ hydrog7 hydrog ? ? A U 3 N3 ? ? ? 1_555 A A 11 N1 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
380
+ hydrog8 hydrog ? ? A U 3 O4 ? ? ? 1_555 A A 11 N6 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
381
+ hydrog9 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 10 N3 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
382
+ hydrog10 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 10 O2 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
383
+ hydrog11 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 10 N4 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
384
+ hydrog12 hydrog ? ? A C 5 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
385
+ hydrog13 hydrog ? ? A C 5 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
386
+ hydrog14 hydrog ? ? A C 5 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
387
+ #
388
+ _struct_conn_type.id hydrog
389
+ _struct_conn_type.criteria ?
390
+ _struct_conn_type.reference ?
391
+ #
392
+ _pdbx_validate_close_contact.id 1
393
+ _pdbx_validate_close_contact.PDB_model_num 1
394
+ _pdbx_validate_close_contact.auth_atom_id_1 "HO2'"
395
+ _pdbx_validate_close_contact.auth_asym_id_1 A
396
+ _pdbx_validate_close_contact.auth_comp_id_1 A
397
+ _pdbx_validate_close_contact.auth_seq_id_1 11
398
+ _pdbx_validate_close_contact.PDB_ins_code_1 ?
399
+ _pdbx_validate_close_contact.label_alt_id_1 ?
400
+ _pdbx_validate_close_contact.auth_atom_id_2 "O4'"
401
+ _pdbx_validate_close_contact.auth_asym_id_2 A
402
+ _pdbx_validate_close_contact.auth_comp_id_2 C
403
+ _pdbx_validate_close_contact.auth_seq_id_2 12
404
+ _pdbx_validate_close_contact.PDB_ins_code_2 ?
405
+ _pdbx_validate_close_contact.label_alt_id_2 ?
406
+ _pdbx_validate_close_contact.dist 1.44
407
+ #
408
+ _pdbx_nmr_ensemble.entry_id 1I4B
409
+ _pdbx_nmr_ensemble.conformers_calculated_total_number ?
410
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
411
+ _pdbx_nmr_ensemble.conformer_selection_criteria ?
412
+ #
413
+ _pdbx_nmr_representative.entry_id 1I4B
414
+ _pdbx_nmr_representative.conformer_id 1
415
+ _pdbx_nmr_representative.selection_criteria 'minimized average structure'
416
+ #
417
+ _pdbx_nmr_sample_details.solution_id 1
418
+ _pdbx_nmr_sample_details.contents
419
+ ;2mM 5'UUA3' triloop, unlabeled, 5mM Sodium Phosphate buffer, pH 6.5
420
+ ;
421
+ _pdbx_nmr_sample_details.solvent_system '90% H2O/10% D2O'
422
+ #
423
+ _pdbx_nmr_exptl_sample_conditions.conditions_id 1
424
+ _pdbx_nmr_exptl_sample_conditions.temperature 283
425
+ _pdbx_nmr_exptl_sample_conditions.pressure ambient
426
+ _pdbx_nmr_exptl_sample_conditions.pH 6.5
427
+ _pdbx_nmr_exptl_sample_conditions.ionic_strength '5mM NaCl'
428
+ _pdbx_nmr_exptl_sample_conditions.pressure_units ?
429
+ _pdbx_nmr_exptl_sample_conditions.temperature_units K
430
+ #
431
+ loop_
432
+ _pdbx_nmr_exptl.experiment_id
433
+ _pdbx_nmr_exptl.solution_id
434
+ _pdbx_nmr_exptl.conditions_id
435
+ _pdbx_nmr_exptl.type
436
+ 1 1 1 '2D NOESY'
437
+ 2 1 1 DQF-COSY
438
+ #
439
+ _pdbx_nmr_refine.entry_id 1I4B
440
+ _pdbx_nmr_refine.method 'simulated annealing'
441
+ _pdbx_nmr_refine.details ?
442
+ _pdbx_nmr_refine.software_ordinal 1
443
+ #
444
+ loop_
445
+ _pdbx_nmr_software.name
446
+ _pdbx_nmr_software.version
447
+ _pdbx_nmr_software.classification
448
+ _pdbx_nmr_software.authors
449
+ _pdbx_nmr_software.ordinal
450
+ Felix 95 'data analysis' ? 1
451
+ X-PLOR 3.1 'structure solution' 'Bruger, A.' 2
452
+ X-PLOR 3.1 refinement 'Bruger, A.' 3
453
+ #
454
+ loop_
455
+ _chem_comp_atom.comp_id
456
+ _chem_comp_atom.atom_id
457
+ _chem_comp_atom.type_symbol
458
+ _chem_comp_atom.pdbx_aromatic_flag
459
+ _chem_comp_atom.pdbx_stereo_config
460
+ _chem_comp_atom.pdbx_ordinal
461
+ A OP3 O N N 1
462
+ A P P N N 2
463
+ A OP1 O N N 3
464
+ A OP2 O N N 4
465
+ A "O5'" O N N 5
466
+ A "C5'" C N N 6
467
+ A "C4'" C N R 7
468
+ A "O4'" O N N 8
469
+ A "C3'" C N S 9
470
+ A "O3'" O N N 10
471
+ A "C2'" C N R 11
472
+ A "O2'" O N N 12
473
+ A "C1'" C N R 13
474
+ A N9 N Y N 14
475
+ A C8 C Y N 15
476
+ A N7 N Y N 16
477
+ A C5 C Y N 17
478
+ A C6 C Y N 18
479
+ A N6 N N N 19
480
+ A N1 N Y N 20
481
+ A C2 C Y N 21
482
+ A N3 N Y N 22
483
+ A C4 C Y N 23
484
+ A HOP3 H N N 24
485
+ A HOP2 H N N 25
486
+ A "H5'" H N N 26
487
+ A "H5''" H N N 27
488
+ A "H4'" H N N 28
489
+ A "H3'" H N N 29
490
+ A "HO3'" H N N 30
491
+ A "H2'" H N N 31
492
+ A "HO2'" H N N 32
493
+ A "H1'" H N N 33
494
+ A H8 H N N 34
495
+ A H61 H N N 35
496
+ A H62 H N N 36
497
+ A H2 H N N 37
498
+ C OP3 O N N 38
499
+ C P P N N 39
500
+ C OP1 O N N 40
501
+ C OP2 O N N 41
502
+ C "O5'" O N N 42
503
+ C "C5'" C N N 43
504
+ C "C4'" C N R 44
505
+ C "O4'" O N N 45
506
+ C "C3'" C N S 46
507
+ C "O3'" O N N 47
508
+ C "C2'" C N R 48
509
+ C "O2'" O N N 49
510
+ C "C1'" C N R 50
511
+ C N1 N N N 51
512
+ C C2 C N N 52
513
+ C O2 O N N 53
514
+ C N3 N N N 54
515
+ C C4 C N N 55
516
+ C N4 N N N 56
517
+ C C5 C N N 57
518
+ C C6 C N N 58
519
+ C HOP3 H N N 59
520
+ C HOP2 H N N 60
521
+ C "H5'" H N N 61
522
+ C "H5''" H N N 62
523
+ C "H4'" H N N 63
524
+ C "H3'" H N N 64
525
+ C "HO3'" H N N 65
526
+ C "H2'" H N N 66
527
+ C "HO2'" H N N 67
528
+ C "H1'" H N N 68
529
+ C H41 H N N 69
530
+ C H42 H N N 70
531
+ C H5 H N N 71
532
+ C H6 H N N 72
533
+ G OP3 O N N 73
534
+ G P P N N 74
535
+ G OP1 O N N 75
536
+ G OP2 O N N 76
537
+ G "O5'" O N N 77
538
+ G "C5'" C N N 78
539
+ G "C4'" C N R 79
540
+ G "O4'" O N N 80
541
+ G "C3'" C N S 81
542
+ G "O3'" O N N 82
543
+ G "C2'" C N R 83
544
+ G "O2'" O N N 84
545
+ G "C1'" C N R 85
546
+ G N9 N Y N 86
547
+ G C8 C Y N 87
548
+ G N7 N Y N 88
549
+ G C5 C Y N 89
550
+ G C6 C N N 90
551
+ G O6 O N N 91
552
+ G N1 N N N 92
553
+ G C2 C N N 93
554
+ G N2 N N N 94
555
+ G N3 N N N 95
556
+ G C4 C Y N 96
557
+ G HOP3 H N N 97
558
+ G HOP2 H N N 98
559
+ G "H5'" H N N 99
560
+ G "H5''" H N N 100
561
+ G "H4'" H N N 101
562
+ G "H3'" H N N 102
563
+ G "HO3'" H N N 103
564
+ G "H2'" H N N 104
565
+ G "HO2'" H N N 105
566
+ G "H1'" H N N 106
567
+ G H8 H N N 107
568
+ G H1 H N N 108
569
+ G H21 H N N 109
570
+ G H22 H N N 110
571
+ U OP3 O N N 111
572
+ U P P N N 112
573
+ U OP1 O N N 113
574
+ U OP2 O N N 114
575
+ U "O5'" O N N 115
576
+ U "C5'" C N N 116
577
+ U "C4'" C N R 117
578
+ U "O4'" O N N 118
579
+ U "C3'" C N S 119
580
+ U "O3'" O N N 120
581
+ U "C2'" C N R 121
582
+ U "O2'" O N N 122
583
+ U "C1'" C N R 123
584
+ U N1 N N N 124
585
+ U C2 C N N 125
586
+ U O2 O N N 126
587
+ U N3 N N N 127
588
+ U C4 C N N 128
589
+ U O4 O N N 129
590
+ U C5 C N N 130
591
+ U C6 C N N 131
592
+ U HOP3 H N N 132
593
+ U HOP2 H N N 133
594
+ U "H5'" H N N 134
595
+ U "H5''" H N N 135
596
+ U "H4'" H N N 136
597
+ U "H3'" H N N 137
598
+ U "HO3'" H N N 138
599
+ U "H2'" H N N 139
600
+ U "HO2'" H N N 140
601
+ U "H1'" H N N 141
602
+ U H3 H N N 142
603
+ U H5 H N N 143
604
+ U H6 H N N 144
605
+ #
606
+ loop_
607
+ _chem_comp_bond.comp_id
608
+ _chem_comp_bond.atom_id_1
609
+ _chem_comp_bond.atom_id_2
610
+ _chem_comp_bond.value_order
611
+ _chem_comp_bond.pdbx_aromatic_flag
612
+ _chem_comp_bond.pdbx_stereo_config
613
+ _chem_comp_bond.pdbx_ordinal
614
+ A OP3 P sing N N 1
615
+ A OP3 HOP3 sing N N 2
616
+ A P OP1 doub N N 3
617
+ A P OP2 sing N N 4
618
+ A P "O5'" sing N N 5
619
+ A OP2 HOP2 sing N N 6
620
+ A "O5'" "C5'" sing N N 7
621
+ A "C5'" "C4'" sing N N 8
622
+ A "C5'" "H5'" sing N N 9
623
+ A "C5'" "H5''" sing N N 10
624
+ A "C4'" "O4'" sing N N 11
625
+ A "C4'" "C3'" sing N N 12
626
+ A "C4'" "H4'" sing N N 13
627
+ A "O4'" "C1'" sing N N 14
628
+ A "C3'" "O3'" sing N N 15
629
+ A "C3'" "C2'" sing N N 16
630
+ A "C3'" "H3'" sing N N 17
631
+ A "O3'" "HO3'" sing N N 18
632
+ A "C2'" "O2'" sing N N 19
633
+ A "C2'" "C1'" sing N N 20
634
+ A "C2'" "H2'" sing N N 21
635
+ A "O2'" "HO2'" sing N N 22
636
+ A "C1'" N9 sing N N 23
637
+ A "C1'" "H1'" sing N N 24
638
+ A N9 C8 sing Y N 25
639
+ A N9 C4 sing Y N 26
640
+ A C8 N7 doub Y N 27
641
+ A C8 H8 sing N N 28
642
+ A N7 C5 sing Y N 29
643
+ A C5 C6 sing Y N 30
644
+ A C5 C4 doub Y N 31
645
+ A C6 N6 sing N N 32
646
+ A C6 N1 doub Y N 33
647
+ A N6 H61 sing N N 34
648
+ A N6 H62 sing N N 35
649
+ A N1 C2 sing Y N 36
650
+ A C2 N3 doub Y N 37
651
+ A C2 H2 sing N N 38
652
+ A N3 C4 sing Y N 39
653
+ C OP3 P sing N N 40
654
+ C OP3 HOP3 sing N N 41
655
+ C P OP1 doub N N 42
656
+ C P OP2 sing N N 43
657
+ C P "O5'" sing N N 44
658
+ C OP2 HOP2 sing N N 45
659
+ C "O5'" "C5'" sing N N 46
660
+ C "C5'" "C4'" sing N N 47
661
+ C "C5'" "H5'" sing N N 48
662
+ C "C5'" "H5''" sing N N 49
663
+ C "C4'" "O4'" sing N N 50
664
+ C "C4'" "C3'" sing N N 51
665
+ C "C4'" "H4'" sing N N 52
666
+ C "O4'" "C1'" sing N N 53
667
+ C "C3'" "O3'" sing N N 54
668
+ C "C3'" "C2'" sing N N 55
669
+ C "C3'" "H3'" sing N N 56
670
+ C "O3'" "HO3'" sing N N 57
671
+ C "C2'" "O2'" sing N N 58
672
+ C "C2'" "C1'" sing N N 59
673
+ C "C2'" "H2'" sing N N 60
674
+ C "O2'" "HO2'" sing N N 61
675
+ C "C1'" N1 sing N N 62
676
+ C "C1'" "H1'" sing N N 63
677
+ C N1 C2 sing N N 64
678
+ C N1 C6 sing N N 65
679
+ C C2 O2 doub N N 66
680
+ C C2 N3 sing N N 67
681
+ C N3 C4 doub N N 68
682
+ C C4 N4 sing N N 69
683
+ C C4 C5 sing N N 70
684
+ C N4 H41 sing N N 71
685
+ C N4 H42 sing N N 72
686
+ C C5 C6 doub N N 73
687
+ C C5 H5 sing N N 74
688
+ C C6 H6 sing N N 75
689
+ G OP3 P sing N N 76
690
+ G OP3 HOP3 sing N N 77
691
+ G P OP1 doub N N 78
692
+ G P OP2 sing N N 79
693
+ G P "O5'" sing N N 80
694
+ G OP2 HOP2 sing N N 81
695
+ G "O5'" "C5'" sing N N 82
696
+ G "C5'" "C4'" sing N N 83
697
+ G "C5'" "H5'" sing N N 84
698
+ G "C5'" "H5''" sing N N 85
699
+ G "C4'" "O4'" sing N N 86
700
+ G "C4'" "C3'" sing N N 87
701
+ G "C4'" "H4'" sing N N 88
702
+ G "O4'" "C1'" sing N N 89
703
+ G "C3'" "O3'" sing N N 90
704
+ G "C3'" "C2'" sing N N 91
705
+ G "C3'" "H3'" sing N N 92
706
+ G "O3'" "HO3'" sing N N 93
707
+ G "C2'" "O2'" sing N N 94
708
+ G "C2'" "C1'" sing N N 95
709
+ G "C2'" "H2'" sing N N 96
710
+ G "O2'" "HO2'" sing N N 97
711
+ G "C1'" N9 sing N N 98
712
+ G "C1'" "H1'" sing N N 99
713
+ G N9 C8 sing Y N 100
714
+ G N9 C4 sing Y N 101
715
+ G C8 N7 doub Y N 102
716
+ G C8 H8 sing N N 103
717
+ G N7 C5 sing Y N 104
718
+ G C5 C6 sing N N 105
719
+ G C5 C4 doub Y N 106
720
+ G C6 O6 doub N N 107
721
+ G C6 N1 sing N N 108
722
+ G N1 C2 sing N N 109
723
+ G N1 H1 sing N N 110
724
+ G C2 N2 sing N N 111
725
+ G C2 N3 doub N N 112
726
+ G N2 H21 sing N N 113
727
+ G N2 H22 sing N N 114
728
+ G N3 C4 sing N N 115
729
+ U OP3 P sing N N 116
730
+ U OP3 HOP3 sing N N 117
731
+ U P OP1 doub N N 118
732
+ U P OP2 sing N N 119
733
+ U P "O5'" sing N N 120
734
+ U OP2 HOP2 sing N N 121
735
+ U "O5'" "C5'" sing N N 122
736
+ U "C5'" "C4'" sing N N 123
737
+ U "C5'" "H5'" sing N N 124
738
+ U "C5'" "H5''" sing N N 125
739
+ U "C4'" "O4'" sing N N 126
740
+ U "C4'" "C3'" sing N N 127
741
+ U "C4'" "H4'" sing N N 128
742
+ U "O4'" "C1'" sing N N 129
743
+ U "C3'" "O3'" sing N N 130
744
+ U "C3'" "C2'" sing N N 131
745
+ U "C3'" "H3'" sing N N 132
746
+ U "O3'" "HO3'" sing N N 133
747
+ U "C2'" "O2'" sing N N 134
748
+ U "C2'" "C1'" sing N N 135
749
+ U "C2'" "H2'" sing N N 136
750
+ U "O2'" "HO2'" sing N N 137
751
+ U "C1'" N1 sing N N 138
752
+ U "C1'" "H1'" sing N N 139
753
+ U N1 C2 sing N N 140
754
+ U N1 C6 sing N N 141
755
+ U C2 O2 doub N N 142
756
+ U C2 N3 sing N N 143
757
+ U N3 C4 sing N N 144
758
+ U N3 H3 sing N N 145
759
+ U C4 O4 doub N N 146
760
+ U C4 C5 sing N N 147
761
+ U C5 C6 doub N N 148
762
+ U C5 H5 sing N N 149
763
+ U C6 H6 sing N N 150
764
+ #
765
+ loop_
766
+ _ndb_struct_conf_na.entry_id
767
+ _ndb_struct_conf_na.feature
768
+ 1I4B 'double helix'
769
+ 1I4B 'hairpin loop'
770
+ #
771
+ loop_
772
+ _ndb_struct_na_base_pair.model_number
773
+ _ndb_struct_na_base_pair.i_label_asym_id
774
+ _ndb_struct_na_base_pair.i_label_comp_id
775
+ _ndb_struct_na_base_pair.i_label_seq_id
776
+ _ndb_struct_na_base_pair.i_symmetry
777
+ _ndb_struct_na_base_pair.j_label_asym_id
778
+ _ndb_struct_na_base_pair.j_label_comp_id
779
+ _ndb_struct_na_base_pair.j_label_seq_id
780
+ _ndb_struct_na_base_pair.j_symmetry
781
+ _ndb_struct_na_base_pair.shear
782
+ _ndb_struct_na_base_pair.stretch
783
+ _ndb_struct_na_base_pair.stagger
784
+ _ndb_struct_na_base_pair.buckle
785
+ _ndb_struct_na_base_pair.propeller
786
+ _ndb_struct_na_base_pair.opening
787
+ _ndb_struct_na_base_pair.pair_number
788
+ _ndb_struct_na_base_pair.pair_name
789
+ _ndb_struct_na_base_pair.i_auth_asym_id
790
+ _ndb_struct_na_base_pair.i_auth_seq_id
791
+ _ndb_struct_na_base_pair.i_PDB_ins_code
792
+ _ndb_struct_na_base_pair.j_auth_asym_id
793
+ _ndb_struct_na_base_pair.j_auth_seq_id
794
+ _ndb_struct_na_base_pair.j_PDB_ins_code
795
+ _ndb_struct_na_base_pair.hbond_type_28
796
+ _ndb_struct_na_base_pair.hbond_type_12
797
+ 1 A G 1 1_555 A C 13 1_555 -0.209 -0.238 -0.619 -20.151 -6.450 -4.573 1 A_G1:C13_A A 1 ? A 13 ? 19 1
798
+ 1 A G 2 1_555 A C 12 1_555 -0.124 -0.246 -0.274 -10.183 -26.185 -3.532 2 A_G2:C12_A A 2 ? A 12 ? 19 1
799
+ 1 A U 3 1_555 A A 11 1_555 -0.305 -0.238 -0.789 9.243 -26.895 -1.804 3 A_U3:A11_A A 3 ? A 11 ? 20 1
800
+ 1 A G 4 1_555 A C 10 1_555 -0.164 -0.286 -0.373 -3.058 -26.068 0.036 4 A_G4:C10_A A 4 ? A 10 ? 19 1
801
+ 1 A C 5 1_555 A G 9 1_555 0.359 -0.427 -0.721 -8.165 -5.941 4.442 5 A_C5:G9_A A 5 ? A 9 ? 19 1
802
+ #
803
+ loop_
804
+ _ndb_struct_na_base_pair_step.model_number
805
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
806
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
807
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
808
+ _ndb_struct_na_base_pair_step.i_symmetry_1
809
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
810
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
811
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
812
+ _ndb_struct_na_base_pair_step.j_symmetry_1
813
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
814
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
815
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
816
+ _ndb_struct_na_base_pair_step.i_symmetry_2
817
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
818
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
819
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
820
+ _ndb_struct_na_base_pair_step.j_symmetry_2
821
+ _ndb_struct_na_base_pair_step.shift
822
+ _ndb_struct_na_base_pair_step.slide
823
+ _ndb_struct_na_base_pair_step.rise
824
+ _ndb_struct_na_base_pair_step.tilt
825
+ _ndb_struct_na_base_pair_step.roll
826
+ _ndb_struct_na_base_pair_step.twist
827
+ _ndb_struct_na_base_pair_step.x_displacement
828
+ _ndb_struct_na_base_pair_step.y_displacement
829
+ _ndb_struct_na_base_pair_step.helical_rise
830
+ _ndb_struct_na_base_pair_step.inclination
831
+ _ndb_struct_na_base_pair_step.tip
832
+ _ndb_struct_na_base_pair_step.helical_twist
833
+ _ndb_struct_na_base_pair_step.step_number
834
+ _ndb_struct_na_base_pair_step.step_name
835
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
836
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
837
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
838
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
839
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
840
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
841
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
842
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
843
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
844
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
845
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
846
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
847
+ 1 A G 1 1_555 A C 13 1_555 A G 2 1_555 A C 12 1_555 -1.342 -0.991 3.102 -0.216 -1.048 34.575 -1.513 2.225 3.138 -1.763 0.364
848
+ 34.591 1 AA_G1G2:C12C13_AA A 1 ? A 13 ? A 2 ? A 12 ?
849
+ 1 A G 2 1_555 A C 12 1_555 A U 3 1_555 A A 11 1_555 0.186 -0.443 2.893 2.743 -1.233 29.636 -0.633 0.148 2.913 -2.403 -5.345
850
+ 29.784 2 AA_G2U3:A11C12_AA A 2 ? A 12 ? A 3 ? A 11 ?
851
+ 1 A U 3 1_555 A A 11 1_555 A G 4 1_555 A C 10 1_555 -0.322 -1.200 3.374 -3.299 30.926 30.222 -4.395 0.144 1.578 46.604 4.971
852
+ 43.105 3 AA_U3G4:C10A11_AA A 3 ? A 11 ? A 4 ? A 10 ?
853
+ 1 A G 4 1_555 A C 10 1_555 A C 5 1_555 A G 9 1_555 1.735 -0.141 2.857 7.994 9.725 37.034 -1.295 -1.705 3.024 14.796 -12.162
854
+ 39.044 4 AA_G4C5:G9C10_AA A 4 ? A 10 ? A 5 ? A 9 ?
855
+ #
856
+ loop_
857
+ _pdbx_nmr_spectrometer.spectrometer_id
858
+ _pdbx_nmr_spectrometer.type
859
+ _pdbx_nmr_spectrometer.manufacturer
860
+ _pdbx_nmr_spectrometer.model
861
+ _pdbx_nmr_spectrometer.field_strength
862
+ 1 ? Bruker AVANCE 500
863
+ 2 ? Bruker AMX 600
864
+ #
865
+ _atom_sites.entry_id 1I4B
866
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
867
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
868
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
869
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
870
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
871
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
872
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
873
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
874
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
875
+ _atom_sites.fract_transf_vector[1] 0.00000
876
+ _atom_sites.fract_transf_vector[2] 0.00000
877
+ _atom_sites.fract_transf_vector[3] 0.00000
878
+ #
879
+ loop_
880
+ _atom_type.symbol
881
+ C
882
+ H
883
+ N
884
+ O
885
+ P
886
+ #
887
+ loop_
888
+ _atom_site.group_PDB
889
+ _atom_site.id
890
+ _atom_site.type_symbol
891
+ _atom_site.label_atom_id
892
+ _atom_site.label_alt_id
893
+ _atom_site.label_comp_id
894
+ _atom_site.label_asym_id
895
+ _atom_site.label_entity_id
896
+ _atom_site.label_seq_id
897
+ _atom_site.pdbx_PDB_ins_code
898
+ _atom_site.Cartn_x
899
+ _atom_site.Cartn_y
900
+ _atom_site.Cartn_z
901
+ _atom_site.occupancy
902
+ _atom_site.B_iso_or_equiv
903
+ _atom_site.pdbx_formal_charge
904
+ _atom_site.auth_seq_id
905
+ _atom_site.auth_comp_id
906
+ _atom_site.auth_asym_id
907
+ _atom_site.auth_atom_id
908
+ _atom_site.pdbx_PDB_model_num
909
+ ATOM 1 O "O5'" . G A 1 1 ? -8.367 -10.035 -0.161 1.00 2.22 ? 1 G A "O5'" 1
910
+ ATOM 2 C "C5'" . G A 1 1 ? -8.314 -11.018 0.877 1.00 2.25 ? 1 G A "C5'" 1
911
+ ATOM 3 C "C4'" . G A 1 1 ? -6.889 -11.225 1.380 1.00 2.07 ? 1 G A "C4'" 1
912
+ ATOM 4 O "O4'" . G A 1 1 ? -6.077 -11.700 0.311 1.00 2.02 ? 1 G A "O4'" 1
913
+ ATOM 5 C "C3'" . G A 1 1 ? -6.181 -9.963 1.831 1.00 1.88 ? 1 G A "C3'" 1
914
+ ATOM 6 O "O3'" . G A 1 1 ? -6.413 -9.823 3.235 1.00 1.70 ? 1 G A "O3'" 1
915
+ ATOM 7 C "C2'" . G A 1 1 ? -4.704 -10.298 1.658 1.00 1.88 ? 1 G A "C2'" 1
916
+ ATOM 8 O "O2'" . G A 1 1 ? -4.181 -10.877 2.856 1.00 2.05 ? 1 G A "O2'" 1
917
+ ATOM 9 C "C1'" . G A 1 1 ? -4.708 -11.329 0.524 1.00 1.89 ? 1 G A "C1'" 1
918
+ ATOM 10 N N9 . G A 1 1 ? -4.170 -10.768 -0.728 1.00 1.76 ? 1 G A N9 1
919
+ ATOM 11 C C8 . G A 1 1 ? -4.832 -10.487 -1.894 1.00 1.82 ? 1 G A C8 1
920
+ ATOM 12 N N7 . G A 1 1 ? -4.069 -9.980 -2.821 1.00 1.69 ? 1 G A N7 1
921
+ ATOM 13 C C5 . G A 1 1 ? -2.813 -9.920 -2.227 1.00 1.53 ? 1 G A C5 1
922
+ ATOM 14 C C6 . G A 1 1 ? -1.576 -9.455 -2.752 1.00 1.38 ? 1 G A C6 1
923
+ ATOM 15 O O6 . G A 1 1 ? -1.347 -8.994 -3.868 1.00 1.37 ? 1 G A O6 1
924
+ ATOM 16 N N1 . G A 1 1 ? -0.552 -9.568 -1.824 1.00 1.30 ? 1 G A N1 1
925
+ ATOM 17 C C2 . G A 1 1 ? -0.694 -10.066 -0.549 1.00 1.33 ? 1 G A C2 1
926
+ ATOM 18 N N2 . G A 1 1 ? 0.400 -10.103 0.211 1.00 1.26 ? 1 G A N2 1
927
+ ATOM 19 N N3 . G A 1 1 ? -1.850 -10.506 -0.047 1.00 1.46 ? 1 G A N3 1
928
+ ATOM 20 C C4 . G A 1 1 ? -2.863 -10.402 -0.942 1.00 1.56 ? 1 G A C4 1
929
+ ATOM 21 H "H5'" . G A 1 1 ? -8.695 -11.963 0.491 1.00 2.39 ? 1 G A "H5'" 1
930
+ ATOM 22 H "H5''" . G A 1 1 ? -8.941 -10.693 1.707 1.00 2.31 ? 1 G A "H5''" 1
931
+ ATOM 23 H "H4'" . G A 1 1 ? -6.899 -11.968 2.178 1.00 2.15 ? 1 G A "H4'" 1
932
+ ATOM 24 H "H3'" . G A 1 1 ? -6.490 -9.075 1.280 1.00 1.99 ? 1 G A "H3'" 1
933
+ ATOM 25 H "H2'" . G A 1 1 ? -4.138 -9.413 1.370 1.00 1.90 ? 1 G A "H2'" 1
934
+ ATOM 26 H "HO2'" . G A 1 1 ? -3.554 -10.251 3.225 1.00 1.94 ? 1 G A "HO2'" 1
935
+ ATOM 27 H "H1'" . G A 1 1 ? -4.132 -12.214 0.800 1.00 1.99 ? 1 G A "H1'" 1
936
+ ATOM 28 H H8 . G A 1 1 ? -5.897 -10.668 -2.031 1.00 1.99 ? 1 G A H8 1
937
+ ATOM 29 H H1 . G A 1 1 ? 0.365 -9.259 -2.113 1.00 1.24 ? 1 G A H1 1
938
+ ATOM 30 H H21 . G A 1 1 ? 1.282 -9.781 -0.159 1.00 1.22 ? 1 G A H21 1
939
+ ATOM 31 H H22 . G A 1 1 ? 0.346 -10.453 1.156 1.00 1.29 ? 1 G A H22 1
940
+ ATOM 32 H "HO5'" . G A 1 1 ? -7.493 -9.987 -0.554 1.00 2.36 ? 1 G A "HO5'" 1
941
+ ATOM 33 P P . G A 1 2 ? -5.929 -8.499 4.014 1.00 1.58 ? 2 G A P 1
942
+ ATOM 34 O OP1 . G A 1 2 ? -6.502 -8.529 5.379 1.00 1.60 ? 2 G A OP1 1
943
+ ATOM 35 O OP2 . G A 1 2 ? -6.173 -7.331 3.138 1.00 1.74 ? 2 G A OP2 1
944
+ ATOM 36 O "O5'" . G A 1 2 ? -4.337 -8.717 4.132 1.00 1.38 ? 2 G A "O5'" 1
945
+ ATOM 37 C "C5'" . G A 1 2 ? -3.777 -9.372 5.273 1.00 1.34 ? 2 G A "C5'" 1
946
+ ATOM 38 C "C4'" . G A 1 2 ? -2.274 -9.126 5.388 1.00 1.21 ? 2 G A "C4'" 1
947
+ ATOM 39 O "O4'" . G A 1 2 ? -1.635 -9.515 4.166 1.00 1.20 ? 2 G A "O4'" 1
948
+ ATOM 40 C "C3'" . G A 1 2 ? -1.873 -7.672 5.566 1.00 1.11 ? 2 G A "C3'" 1
949
+ ATOM 41 O "O3'" . G A 1 2 ? -1.782 -7.419 6.970 1.00 1.12 ? 2 G A "O3'" 1
950
+ ATOM 42 C "C2'" . G A 1 2 ? -0.458 -7.644 5.017 1.00 1.03 ? 2 G A "C2'" 1
951
+ ATOM 43 O "O2'" . G A 1 2 ? 0.469 -8.128 5.992 1.00 1.04 ? 2 G A "O2'" 1
952
+ ATOM 44 C "C1'" . G A 1 2 ? -0.559 -8.616 3.844 1.00 1.08 ? 2 G A "C1'" 1
953
+ ATOM 45 N N9 . G A 1 2 ? -0.876 -7.929 2.577 1.00 1.05 ? 2 G A N9 1
954
+ ATOM 46 C C8 . G A 1 2 ? -2.103 -7.568 2.083 1.00 1.12 ? 2 G A C8 1
955
+ ATOM 47 N N7 . G A 1 2 ? -2.046 -6.963 0.929 1.00 1.07 ? 2 G A N7 1
956
+ ATOM 48 C C5 . G A 1 2 ? -0.686 -6.920 0.638 1.00 0.96 ? 2 G A C5 1
957
+ ATOM 49 C C6 . G A 1 2 ? -0.011 -6.378 -0.490 1.00 0.90 ? 2 G A C6 1
958
+ ATOM 50 O O6 . G A 1 2 ? -0.495 -5.822 -1.473 1.00 0.90 ? 2 G A O6 1
959
+ ATOM 51 N N1 . G A 1 2 ? 1.362 -6.542 -0.391 1.00 0.86 ? 2 G A N1 1
960
+ ATOM 52 C C2 . G A 1 2 ? 2.011 -7.150 0.660 1.00 0.87 ? 2 G A C2 1
961
+ ATOM 53 N N2 . G A 1 2 ? 3.341 -7.221 0.591 1.00 0.88 ? 2 G A N2 1
962
+ ATOM 54 N N3 . G A 1 2 ? 1.387 -7.662 1.723 1.00 0.91 ? 2 G A N3 1
963
+ ATOM 55 C C4 . G A 1 2 ? 0.042 -7.511 1.643 1.00 0.96 ? 2 G A C4 1
964
+ ATOM 56 H "H5'" . G A 1 2 ? -3.955 -10.444 5.189 1.00 1.41 ? 2 G A "H5'" 1
965
+ ATOM 57 H "H5''" . G A 1 2 ? -4.267 -9.000 6.173 1.00 1.36 ? 2 G A "H5''" 1
966
+ ATOM 58 H "H4'" . G A 1 2 ? -1.880 -9.734 6.203 1.00 1.23 ? 2 G A "H4'" 1
967
+ ATOM 59 H "H3'" . G A 1 2 ? -2.545 -6.973 5.069 1.00 1.12 ? 2 G A "H3'" 1
968
+ ATOM 60 H "H2'" . G A 1 2 ? -0.189 -6.646 4.677 1.00 0.97 ? 2 G A "H2'" 1
969
+ ATOM 61 H "HO2'" . G A 1 2 ? 1.160 -7.467 6.083 1.00 1.02 ? 2 G A "HO2'" 1
970
+ ATOM 62 H "H1'" . G A 1 2 ? 0.364 -9.182 3.727 1.00 1.09 ? 2 G A "H1'" 1
971
+ ATOM 63 H H8 . G A 1 2 ? -3.037 -7.762 2.608 1.00 1.22 ? 2 G A H8 1
972
+ ATOM 64 H H1 . G A 1 2 ? 1.923 -6.187 -1.153 1.00 0.84 ? 2 G A H1 1
973
+ ATOM 65 H H21 . G A 1 2 ? 3.834 -6.765 -0.163 1.00 0.88 ? 2 G A H21 1
974
+ ATOM 66 H H22 . G A 1 2 ? 3.856 -7.727 1.297 1.00 0.90 ? 2 G A H22 1
975
+ ATOM 67 P P . U A 1 3 ? -1.753 -5.906 7.523 1.00 1.09 ? 3 U A P 1
976
+ ATOM 68 O OP1 . U A 1 3 ? -1.600 -5.955 8.994 1.00 1.18 ? 3 U A OP1 1
977
+ ATOM 69 O OP2 . U A 1 3 ? -2.891 -5.173 6.925 1.00 1.12 ? 3 U A OP2 1
978
+ ATOM 70 O "O5'" . U A 1 3 ? -0.389 -5.322 6.893 1.00 0.94 ? 3 U A "O5'" 1
979
+ ATOM 71 C "C5'" . U A 1 3 ? 0.795 -5.232 7.691 1.00 0.93 ? 3 U A "C5'" 1
980
+ ATOM 72 C "C4'" . U A 1 3 ? 2.043 -5.007 6.834 1.00 0.84 ? 3 U A "C4'" 1
981
+ ATOM 73 O "O4'" . U A 1 3 ? 1.870 -5.629 5.557 1.00 0.79 ? 3 U A "O4'" 1
982
+ ATOM 74 C "C3'" . U A 1 3 ? 2.330 -3.562 6.477 1.00 0.79 ? 3 U A "C3'" 1
983
+ ATOM 75 O "O3'" . U A 1 3 ? 3.125 -3.008 7.528 1.00 0.86 ? 3 U A "O3'" 1
984
+ ATOM 76 C "C2'" . U A 1 3 ? 3.225 -3.706 5.258 1.00 0.72 ? 3 U A "C2'" 1
985
+ ATOM 77 O "O2'" . U A 1 3 ? 4.561 -4.032 5.649 1.00 0.75 ? 3 U A "O2'" 1
986
+ ATOM 78 C "C1'" . U A 1 3 ? 2.571 -4.888 4.538 1.00 0.71 ? 3 U A "C1'" 1
987
+ ATOM 79 N N1 . U A 1 3 ? 1.593 -4.443 3.518 1.00 0.67 ? 3 U A N1 1
988
+ ATOM 80 C C2 . U A 1 3 ? 2.038 -4.288 2.213 1.00 0.62 ? 3 U A C2 1
989
+ ATOM 81 O O2 . U A 1 3 ? 3.199 -4.516 1.881 1.00 0.63 ? 3 U A O2 1
990
+ ATOM 82 N N3 . U A 1 3 ? 1.095 -3.860 1.299 1.00 0.59 ? 3 U A N3 1
991
+ ATOM 83 C C4 . U A 1 3 ? -0.231 -3.577 1.568 1.00 0.63 ? 3 U A C4 1
992
+ ATOM 84 O O4 . U A 1 3 ? -0.975 -3.202 0.665 1.00 0.62 ? 3 U A O4 1
993
+ ATOM 85 C C5 . U A 1 3 ? -0.618 -3.762 2.948 1.00 0.72 ? 3 U A C5 1
994
+ ATOM 86 C C6 . U A 1 3 ? 0.292 -4.183 3.861 1.00 0.73 ? 3 U A C6 1
995
+ ATOM 87 H "H5'" . U A 1 3 ? 0.910 -6.157 8.258 1.00 0.97 ? 3 U A "H5'" 1
996
+ ATOM 88 H "H5''" . U A 1 3 ? 0.690 -4.400 8.387 1.00 0.98 ? 3 U A "H5''" 1
997
+ ATOM 89 H "H4'" . U A 1 3 ? 2.905 -5.454 7.332 1.00 0.86 ? 3 U A "H4'" 1
998
+ ATOM 90 H "H3'" . U A 1 3 ? 1.432 -2.974 6.290 1.00 0.80 ? 3 U A "H3'" 1
999
+ ATOM 91 H "H2'" . U A 1 3 ? 3.199 -2.808 4.642 1.00 0.68 ? 3 U A "H2'" 1
1000
+ ATOM 92 H "HO2'" . U A 1 3 ? 4.823 -3.401 6.324 1.00 0.98 ? 3 U A "HO2'" 1
1001
+ ATOM 93 H "H1'" . U A 1 3 ? 3.325 -5.533 4.081 1.00 0.71 ? 3 U A "H1'" 1
1002
+ ATOM 94 H H3 . U A 1 3 ? 1.404 -3.742 0.344 1.00 0.57 ? 3 U A H3 1
1003
+ ATOM 95 H H5 . U A 1 3 ? -1.644 -3.561 3.256 1.00 0.80 ? 3 U A H5 1
1004
+ ATOM 96 H H6 . U A 1 3 ? -0.019 -4.319 4.897 1.00 0.81 ? 3 U A H6 1
1005
+ ATOM 97 P P . G A 1 4 ? 2.902 -1.483 7.997 1.00 0.93 ? 4 G A P 1
1006
+ ATOM 98 O OP1 . G A 1 4 ? 3.771 -1.226 9.167 1.00 1.06 ? 4 G A OP1 1
1007
+ ATOM 99 O OP2 . G A 1 4 ? 1.446 -1.236 8.092 1.00 0.94 ? 4 G A OP2 1
1008
+ ATOM 100 O "O5'" . G A 1 4 ? 3.476 -0.643 6.748 1.00 0.85 ? 4 G A "O5'" 1
1009
+ ATOM 101 C "C5'" . G A 1 4 ? 4.860 -0.288 6.695 1.00 0.88 ? 4 G A "C5'" 1
1010
+ ATOM 102 C "C4'" . G A 1 4 ? 5.222 0.393 5.379 1.00 0.79 ? 4 G A "C4'" 1
1011
+ ATOM 103 O "O4'" . G A 1 4 ? 4.789 -0.413 4.285 1.00 0.70 ? 4 G A "O4'" 1
1012
+ ATOM 104 C "C3'" . G A 1 4 ? 4.537 1.721 5.129 1.00 0.76 ? 4 G A "C3'" 1
1013
+ ATOM 105 O "O3'" . G A 1 4 ? 5.365 2.739 5.695 1.00 0.89 ? 4 G A "O3'" 1
1014
+ ATOM 106 C "C2'" . G A 1 4 ? 4.619 1.863 3.616 1.00 0.67 ? 4 G A "C2'" 1
1015
+ ATOM 107 O "O2'" . G A 1 4 ? 5.882 2.413 3.229 1.00 0.76 ? 4 G A "O2'" 1
1016
+ ATOM 108 C "C1'" . G A 1 4 ? 4.501 0.411 3.142 1.00 0.64 ? 4 G A "C1'" 1
1017
+ ATOM 109 N N9 . G A 1 4 ? 3.149 0.095 2.646 1.00 0.57 ? 4 G A N9 1
1018
+ ATOM 110 C C8 . G A 1 4 ? 2.091 -0.455 3.324 1.00 0.57 ? 4 G A C8 1
1019
+ ATOM 111 N N7 . G A 1 4 ? 1.022 -0.605 2.593 1.00 0.53 ? 4 G A N7 1
1020
+ ATOM 112 C C5 . G A 1 4 ? 1.397 -0.119 1.345 1.00 0.48 ? 4 G A C5 1
1021
+ ATOM 113 C C6 . G A 1 4 ? 0.648 -0.023 0.139 1.00 0.45 ? 4 G A C6 1
1022
+ ATOM 114 O O6 . G A 1 4 ? -0.518 -0.354 -0.062 1.00 0.45 ? 4 G A O6 1
1023
+ ATOM 115 N N1 . G A 1 4 ? 1.399 0.526 -0.887 1.00 0.46 ? 4 G A N1 1
1024
+ ATOM 116 C C2 . G A 1 4 ? 2.709 0.935 -0.776 1.00 0.51 ? 4 G A C2 1
1025
+ ATOM 117 N N2 . G A 1 4 ? 3.280 1.445 -1.868 1.00 0.55 ? 4 G A N2 1
1026
+ ATOM 118 N N3 . G A 1 4 ? 3.422 0.849 0.350 1.00 0.54 ? 4 G A N3 1
1027
+ ATOM 119 C C4 . G A 1 4 ? 2.701 0.313 1.366 1.00 0.52 ? 4 G A C4 1
1028
+ ATOM 120 H "H5'" . G A 1 4 ? 5.462 -1.190 6.805 1.00 0.90 ? 4 G A "H5'" 1
1029
+ ATOM 121 H "H5''" . G A 1 4 ? 5.084 0.391 7.518 1.00 0.98 ? 4 G A "H5''" 1
1030
+ ATOM 122 H "H4'" . G A 1 4 ? 6.305 0.507 5.328 1.00 0.86 ? 4 G A "H4'" 1
1031
+ ATOM 123 H "H3'" . G A 1 4 ? 3.518 1.762 5.514 1.00 0.75 ? 4 G A "H3'" 1
1032
+ ATOM 124 H "H2'" . G A 1 4 ? 3.795 2.466 3.235 1.00 0.60 ? 4 G A "H2'" 1
1033
+ ATOM 125 H "HO2'" . G A 1 4 ? 6.432 2.445 4.015 1.00 1.02 ? 4 G A "HO2'" 1
1034
+ ATOM 126 H "H1'" . G A 1 4 ? 5.228 0.200 2.357 1.00 0.67 ? 4 G A "H1'" 1
1035
+ ATOM 127 H H8 . G A 1 4 ? 2.139 -0.738 4.375 1.00 0.63 ? 4 G A H8 1
1036
+ ATOM 128 H H1 . G A 1 4 ? 0.943 0.635 -1.781 1.00 0.45 ? 4 G A H1 1
1037
+ ATOM 129 H H21 . G A 1 4 ? 2.732 1.589 -2.704 1.00 0.55 ? 4 G A H21 1
1038
+ ATOM 130 H H22 . G A 1 4 ? 4.259 1.690 -1.858 1.00 0.61 ? 4 G A H22 1
1039
+ ATOM 131 P P . C A 1 5 ? 4.708 3.967 6.504 1.00 0.92 ? 5 C A P 1
1040
+ ATOM 132 O OP1 . C A 1 5 ? 5.800 4.746 7.129 1.00 1.12 ? 5 C A OP1 1
1041
+ ATOM 133 O OP2 . C A 1 5 ? 3.609 3.435 7.340 1.00 1.02 ? 5 C A OP2 1
1042
+ ATOM 134 O "O5'" . C A 1 5 ? 4.062 4.858 5.327 1.00 0.68 ? 5 C A "O5'" 1
1043
+ ATOM 135 C "C5'" . C A 1 5 ? 4.865 5.327 4.238 1.00 0.63 ? 5 C A "C5'" 1
1044
+ ATOM 136 C "C4'" . C A 1 5 ? 4.082 5.332 2.928 1.00 0.48 ? 5 C A "C4'" 1
1045
+ ATOM 137 O "O4'" . C A 1 5 ? 3.346 4.120 2.828 1.00 0.42 ? 5 C A "O4'" 1
1046
+ ATOM 138 C "C3'" . C A 1 5 ? 3.015 6.429 2.817 1.00 0.43 ? 5 C A "C3'" 1
1047
+ ATOM 139 O "O3'" . C A 1 5 ? 3.491 7.432 1.893 1.00 0.56 ? 5 C A "O3'" 1
1048
+ ATOM 140 C "C2'" . C A 1 5 ? 1.785 5.743 2.190 1.00 0.40 ? 5 C A "C2'" 1
1049
+ ATOM 141 O "O2'" . C A 1 5 ? 1.419 6.374 0.963 1.00 0.49 ? 5 C A "O2'" 1
1050
+ ATOM 142 C "C1'" . C A 1 5 ? 2.263 4.316 1.930 1.00 0.38 ? 5 C A "C1'" 1
1051
+ ATOM 143 N N1 . C A 1 5 ? 1.212 3.314 2.214 1.00 0.35 ? 5 C A N1 1
1052
+ ATOM 144 C C2 . C A 1 5 ? 0.364 2.959 1.174 1.00 0.34 ? 5 C A C2 1
1053
+ ATOM 145 O O2 . C A 1 5 ? 0.517 3.453 0.060 1.00 0.39 ? 5 C A O2 1
1054
+ ATOM 146 N N3 . C A 1 5 ? -0.624 2.057 1.414 1.00 0.33 ? 5 C A N3 1
1055
+ ATOM 147 C C4 . C A 1 5 ? -0.777 1.517 2.629 1.00 0.37 ? 5 C A C4 1
1056
+ ATOM 148 N N4 . C A 1 5 ? -1.764 0.637 2.794 1.00 0.41 ? 5 C A N4 1
1057
+ ATOM 149 C C5 . C A 1 5 ? 0.093 1.874 3.708 1.00 0.42 ? 5 C A C5 1
1058
+ ATOM 150 C C6 . C A 1 5 ? 1.069 2.771 3.458 1.00 0.40 ? 5 C A C6 1
1059
+ ATOM 151 H "H5'" . C A 1 5 ? 5.736 4.679 4.130 1.00 0.72 ? 5 C A "H5'" 1
1060
+ ATOM 152 H "H5''" . C A 1 5 ? 5.201 6.341 4.456 1.00 0.74 ? 5 C A "H5''" 1
1061
+ ATOM 153 H "H4'" . C A 1 5 ? 4.787 5.386 2.100 1.00 0.61 ? 5 C A "H4'" 1
1062
+ ATOM 154 H "H3'" . C A 1 5 ? 2.784 6.880 3.784 1.00 0.48 ? 5 C A "H3'" 1
1063
+ ATOM 155 H "H2'" . C A 1 5 ? 0.948 5.743 2.888 1.00 0.41 ? 5 C A "H2'" 1
1064
+ ATOM 156 H "HO2'" . C A 1 5 ? 0.683 6.962 1.152 1.00 0.71 ? 5 C A "HO2'" 1
1065
+ ATOM 157 H "H1'" . C A 1 5 ? 2.620 4.205 0.904 1.00 0.44 ? 5 C A "H1'" 1
1066
+ ATOM 158 H H41 . C A 1 5 ? -2.342 0.373 2.007 1.00 0.40 ? 5 C A H41 1
1067
+ ATOM 159 H H42 . C A 1 5 ? -1.935 0.234 3.705 1.00 0.48 ? 5 C A H42 1
1068
+ ATOM 160 H H5 . C A 1 5 ? -0.021 1.441 4.702 1.00 0.51 ? 5 C A H5 1
1069
+ ATOM 161 H H6 . C A 1 5 ? 1.749 3.065 4.257 1.00 0.47 ? 5 C A H6 1
1070
+ ATOM 162 P P . U A 1 6 ? 3.850 7.120 0.345 1.00 0.95 ? 6 U A P 1
1071
+ ATOM 163 O OP1 . U A 1 6 ? 3.529 5.707 0.055 1.00 1.64 ? 6 U A OP1 1
1072
+ ATOM 164 O OP2 . U A 1 6 ? 5.212 7.632 0.075 1.00 1.55 ? 6 U A OP2 1
1073
+ ATOM 165 O "O5'" . U A 1 6 ? 2.798 8.046 -0.454 1.00 0.89 ? 6 U A "O5'" 1
1074
+ ATOM 166 C "C5'" . U A 1 6 ? 1.857 7.470 -1.370 1.00 0.62 ? 6 U A "C5'" 1
1075
+ ATOM 167 C "C4'" . U A 1 6 ? 0.475 8.101 -1.230 1.00 0.53 ? 6 U A "C4'" 1
1076
+ ATOM 168 O "O4'" . U A 1 6 ? 0.127 8.168 0.160 1.00 0.65 ? 6 U A "O4'" 1
1077
+ ATOM 169 C "C3'" . U A 1 6 ? 0.379 9.536 -1.742 1.00 0.62 ? 6 U A "C3'" 1
1078
+ ATOM 170 O "O3'" . U A 1 6 ? -0.938 9.705 -2.265 1.00 0.96 ? 6 U A "O3'" 1
1079
+ ATOM 171 C "C2'" . U A 1 6 ? 0.476 10.388 -0.488 1.00 0.65 ? 6 U A "C2'" 1
1080
+ ATOM 172 O "O2'" . U A 1 6 ? -0.236 11.616 -0.656 1.00 0.93 ? 6 U A "O2'" 1
1081
+ ATOM 173 C "C1'" . U A 1 6 ? -0.214 9.505 0.538 1.00 0.82 ? 6 U A "C1'" 1
1082
+ ATOM 174 N N1 . U A 1 6 ? 0.285 9.752 1.916 1.00 1.08 ? 6 U A N1 1
1083
+ ATOM 175 C C2 . U A 1 6 ? -0.546 10.416 2.808 1.00 1.56 ? 6 U A C2 1
1084
+ ATOM 176 O O2 . U A 1 6 ? -1.673 10.798 2.499 1.00 1.76 ? 6 U A O2 1
1085
+ ATOM 177 N N3 . U A 1 6 ? -0.034 10.627 4.073 1.00 1.88 ? 6 U A N3 1
1086
+ ATOM 178 C C4 . U A 1 6 ? 1.215 10.241 4.521 1.00 1.81 ? 6 U A C4 1
1087
+ ATOM 179 O O4 . U A 1 6 ? 1.557 10.486 5.676 1.00 2.17 ? 6 U A O4 1
1088
+ ATOM 180 C C5 . U A 1 6 ? 2.023 9.557 3.537 1.00 1.37 ? 6 U A C5 1
1089
+ ATOM 181 C C6 . U A 1 6 ? 1.538 9.338 2.289 1.00 1.01 ? 6 U A C6 1
1090
+ ATOM 182 H "H5'" . U A 1 6 ? 1.778 6.399 -1.179 1.00 1.06 ? 6 U A "H5'" 1
1091
+ ATOM 183 H "H5''" . U A 1 6 ? 2.215 7.623 -2.389 1.00 1.00 ? 6 U A "H5''" 1
1092
+ ATOM 184 H "H4'" . U A 1 6 ? -0.251 7.469 -1.742 1.00 0.79 ? 6 U A "H4'" 1
1093
+ ATOM 185 H "H3'" . U A 1 6 ? 1.138 9.776 -2.483 1.00 0.73 ? 6 U A "H3'" 1
1094
+ ATOM 186 H "H2'" . U A 1 6 ? 1.515 10.565 -0.218 1.00 0.68 ? 6 U A "H2'" 1
1095
+ ATOM 187 H "HO2'" . U A 1 6 ? -0.997 11.431 -1.211 1.00 1.05 ? 6 U A "HO2'" 1
1096
+ ATOM 188 H "H1'" . U A 1 6 ? -1.300 9.627 0.495 1.00 1.05 ? 6 U A "H1'" 1
1097
+ ATOM 189 H H3 . U A 1 6 ? -0.628 11.109 4.732 1.00 2.24 ? 6 U A H3 1
1098
+ ATOM 190 H H5 . U A 1 6 ? 3.025 9.216 3.799 1.00 1.42 ? 6 U A H5 1
1099
+ ATOM 191 H H6 . U A 1 6 ? 2.163 8.821 1.561 1.00 0.78 ? 6 U A H6 1
1100
+ ATOM 192 P P . U A 1 7 ? -1.314 9.111 -3.711 1.00 1.28 ? 7 U A P 1
1101
+ ATOM 193 O OP1 . U A 1 7 ? -0.056 8.743 -4.399 1.00 1.68 ? 7 U A OP1 1
1102
+ ATOM 194 O OP2 . U A 1 7 ? -2.267 10.038 -4.360 1.00 1.87 ? 7 U A OP2 1
1103
+ ATOM 195 O "O5'" . U A 1 7 ? -2.098 7.756 -3.335 1.00 0.75 ? 7 U A "O5'" 1
1104
+ ATOM 196 C "C5'" . U A 1 7 ? -3.261 7.803 -2.508 1.00 0.38 ? 7 U A "C5'" 1
1105
+ ATOM 197 C "C4'" . U A 1 7 ? -4.514 8.138 -3.335 1.00 0.26 ? 7 U A "C4'" 1
1106
+ ATOM 198 O "O4'" . U A 1 7 ? -4.101 8.455 -4.671 1.00 0.20 ? 7 U A "O4'" 1
1107
+ ATOM 199 C "C3'" . U A 1 7 ? -5.513 6.999 -3.503 1.00 0.34 ? 7 U A "C3'" 1
1108
+ ATOM 200 O "O3'" . U A 1 7 ? -6.785 7.586 -3.789 1.00 0.39 ? 7 U A "O3'" 1
1109
+ ATOM 201 C "C2'" . U A 1 7 ? -5.050 6.294 -4.764 1.00 0.29 ? 7 U A "C2'" 1
1110
+ ATOM 202 O "O2'" . U A 1 7 ? -6.148 5.647 -5.412 1.00 0.33 ? 7 U A "O2'" 1
1111
+ ATOM 203 C "C1'" . U A 1 7 ? -4.546 7.459 -5.606 1.00 0.23 ? 7 U A "C1'" 1
1112
+ ATOM 204 N N1 . U A 1 7 ? -3.390 7.065 -6.452 1.00 0.37 ? 7 U A N1 1
1113
+ ATOM 205 C C2 . U A 1 7 ? -3.531 7.120 -7.832 1.00 0.56 ? 7 U A C2 1
1114
+ ATOM 206 O O2 . U A 1 7 ? -4.567 7.498 -8.375 1.00 0.66 ? 7 U A O2 1
1115
+ ATOM 207 N N3 . U A 1 7 ? -2.434 6.722 -8.570 1.00 0.71 ? 7 U A N3 1
1116
+ ATOM 208 C C4 . U A 1 7 ? -1.227 6.280 -8.062 1.00 0.72 ? 7 U A C4 1
1117
+ ATOM 209 O O4 . U A 1 7 ? -0.319 5.963 -8.826 1.00 0.88 ? 7 U A O4 1
1118
+ ATOM 210 C C5 . U A 1 7 ? -1.156 6.249 -6.619 1.00 0.60 ? 7 U A C5 1
1119
+ ATOM 211 C C6 . U A 1 7 ? -2.220 6.639 -5.874 1.00 0.43 ? 7 U A C6 1
1120
+ ATOM 212 H "H5'" . U A 1 7 ? -3.115 8.566 -1.741 1.00 0.85 ? 7 U A "H5'" 1
1121
+ ATOM 213 H "H5''" . U A 1 7 ? -3.386 6.835 -2.020 1.00 0.44 ? 7 U A "H5''" 1
1122
+ ATOM 214 H "H4'" . U A 1 7 ? -5.006 9.011 -2.903 1.00 0.29 ? 7 U A "H4'" 1
1123
+ ATOM 215 H "H3'" . U A 1 7 ? -5.565 6.339 -2.638 1.00 0.47 ? 7 U A "H3'" 1
1124
+ ATOM 216 H "H2'" . U A 1 7 ? -4.248 5.589 -4.547 1.00 0.39 ? 7 U A "H2'" 1
1125
+ ATOM 217 H "HO2'" . U A 1 7 ? -6.603 6.312 -5.934 1.00 0.89 ? 7 U A "HO2'" 1
1126
+ ATOM 218 H "H1'" . U A 1 7 ? -5.350 7.875 -6.219 1.00 0.27 ? 7 U A "H1'" 1
1127
+ ATOM 219 H H3 . U A 1 7 ? -2.522 6.755 -9.576 1.00 0.87 ? 7 U A H3 1
1128
+ ATOM 220 H H5 . U A 1 7 ? -0.251 5.892 -6.127 1.00 0.69 ? 7 U A H5 1
1129
+ ATOM 221 H H6 . U A 1 7 ? -2.140 6.623 -4.786 1.00 0.44 ? 7 U A H6 1
1130
+ ATOM 222 P P . A A 1 8 ? -7.903 7.698 -2.634 1.00 0.66 ? 8 A A P 1
1131
+ ATOM 223 O OP1 . A A 1 8 ? -8.695 8.924 -2.876 1.00 1.05 ? 8 A A OP1 1
1132
+ ATOM 224 O OP2 . A A 1 8 ? -7.238 7.497 -1.328 1.00 1.24 ? 8 A A OP2 1
1133
+ ATOM 225 O "O5'" . A A 1 8 ? -8.847 6.423 -2.919 1.00 0.76 ? 8 A A "O5'" 1
1134
+ ATOM 226 C "C5'" . A A 1 8 ? -8.389 5.341 -3.734 1.00 0.70 ? 8 A A "C5'" 1
1135
+ ATOM 227 C "C4'" . A A 1 8 ? -7.429 4.428 -2.971 1.00 0.48 ? 8 A A "C4'" 1
1136
+ ATOM 228 O "O4'" . A A 1 8 ? -6.733 5.186 -2.004 1.00 0.54 ? 8 A A "O4'" 1
1137
+ ATOM 229 C "C3'" . A A 1 8 ? -8.085 3.339 -2.137 1.00 0.28 ? 8 A A "C3'" 1
1138
+ ATOM 230 O "O3'" . A A 1 8 ? -8.105 2.157 -2.942 1.00 0.52 ? 8 A A "O3'" 1
1139
+ ATOM 231 C "C2'" . A A 1 8 ? -7.090 3.089 -0.988 1.00 0.34 ? 8 A A "C2'" 1
1140
+ ATOM 232 O "O2'" . A A 1 8 ? -6.364 1.879 -1.221 1.00 0.52 ? 8 A A "O2'" 1
1141
+ ATOM 233 C "C1'" . A A 1 8 ? -6.139 4.298 -1.067 1.00 0.38 ? 8 A A "C1'" 1
1142
+ ATOM 234 N N9 . A A 1 8 ? -5.961 5.029 0.209 1.00 0.32 ? 8 A A N9 1
1143
+ ATOM 235 C C8 . A A 1 8 ? -6.859 5.259 1.227 1.00 0.40 ? 8 A A C8 1
1144
+ ATOM 236 N N7 . A A 1 8 ? -6.370 5.976 2.201 1.00 0.49 ? 8 A A N7 1
1145
+ ATOM 237 C C5 . A A 1 8 ? -5.066 6.241 1.801 1.00 0.42 ? 8 A A C5 1
1146
+ ATOM 238 C C6 . A A 1 8 ? -4.016 6.960 2.395 1.00 0.49 ? 8 A A C6 1
1147
+ ATOM 239 N N6 . A A 1 8 ? -4.118 7.569 3.576 1.00 0.67 ? 8 A A N6 1
1148
+ ATOM 240 N N1 . A A 1 8 ? -2.850 7.030 1.731 1.00 0.43 ? 8 A A N1 1
1149
+ ATOM 241 C C2 . A A 1 8 ? -2.739 6.423 0.555 1.00 0.34 ? 8 A A C2 1
1150
+ ATOM 242 N N3 . A A 1 8 ? -3.646 5.718 -0.106 1.00 0.31 ? 8 A A N3 1
1151
+ ATOM 243 C C4 . A A 1 8 ? -4.804 5.669 0.590 1.00 0.31 ? 8 A A C4 1
1152
+ ATOM 244 H "H5'" . A A 1 8 ? -7.880 5.749 -4.608 1.00 1.32 ? 8 A A "H5'" 1
1153
+ ATOM 245 H "H5''" . A A 1 8 ? -9.248 4.756 -4.063 1.00 1.15 ? 8 A A "H5''" 1
1154
+ ATOM 246 H "H4'" . A A 1 8 ? -6.711 3.995 -3.669 1.00 0.66 ? 8 A A "H4'" 1
1155
+ ATOM 247 H "H3'" . A A 1 8 ? -9.082 3.607 -1.790 1.00 0.48 ? 8 A A "H3'" 1
1156
+ ATOM 248 H "H2'" . A A 1 8 ? -7.605 3.049 -0.033 1.00 0.44 ? 8 A A "H2'" 1
1157
+ ATOM 249 H "HO2'" . A A 1 8 ? -6.155 1.848 -2.157 1.00 0.77 ? 8 A A "HO2'" 1
1158
+ ATOM 250 H "H1'" . A A 1 8 ? -5.162 3.992 -1.438 1.00 0.52 ? 8 A A "H1'" 1
1159
+ ATOM 251 H H8 . A A 1 8 ? -7.889 4.904 1.216 1.00 0.44 ? 8 A A H8 1
1160
+ ATOM 252 H H61 . A A 1 8 ? -3.324 8.061 3.961 1.00 0.74 ? 8 A A H61 1
1161
+ ATOM 253 H H62 . A A 1 8 ? -4.989 7.538 4.086 1.00 0.75 ? 8 A A H62 1
1162
+ ATOM 254 H H2 . A A 1 8 ? -1.771 6.528 0.060 1.00 0.37 ? 8 A A H2 1
1163
+ ATOM 255 P P . G A 1 9 ? -9.098 2.043 -4.208 1.00 0.62 ? 9 G A P 1
1164
+ ATOM 256 O OP1 . G A 1 9 ? -10.280 2.890 -3.943 1.00 0.74 ? 9 G A OP1 1
1165
+ ATOM 257 O OP2 . G A 1 9 ? -9.273 0.610 -4.532 1.00 0.94 ? 9 G A OP2 1
1166
+ ATOM 258 O "O5'" . G A 1 9 ? -8.243 2.728 -5.393 1.00 0.75 ? 9 G A "O5'" 1
1167
+ ATOM 259 C "C5'" . G A 1 9 ? -7.646 1.939 -6.433 1.00 0.50 ? 9 G A "C5'" 1
1168
+ ATOM 260 C "C4'" . G A 1 9 ? -6.179 2.305 -6.629 1.00 0.42 ? 9 G A "C4'" 1
1169
+ ATOM 261 O "O4'" . G A 1 9 ? -5.567 2.434 -5.343 1.00 0.38 ? 9 G A "O4'" 1
1170
+ ATOM 262 C "C3'" . G A 1 9 ? -5.351 1.266 -7.379 1.00 0.43 ? 9 G A "C3'" 1
1171
+ ATOM 263 O "O3'" . G A 1 9 ? -4.350 1.979 -8.107 1.00 0.46 ? 9 G A "O3'" 1
1172
+ ATOM 264 C "C2'" . G A 1 9 ? -4.635 0.485 -6.287 1.00 0.38 ? 9 G A "C2'" 1
1173
+ ATOM 265 O "O2'" . G A 1 9 ? -3.365 0.026 -6.757 1.00 0.38 ? 9 G A "O2'" 1
1174
+ ATOM 266 C "C1'" . G A 1 9 ? -4.453 1.552 -5.205 1.00 0.31 ? 9 G A "C1'" 1
1175
+ ATOM 267 N N9 . G A 1 9 ? -4.458 1.018 -3.821 1.00 0.32 ? 9 G A N9 1
1176
+ ATOM 268 C C8 . G A 1 9 ? -5.178 -0.027 -3.279 1.00 0.38 ? 9 G A C8 1
1177
+ ATOM 269 N N7 . G A 1 9 ? -4.953 -0.213 -2.009 1.00 0.40 ? 9 G A N7 1
1178
+ ATOM 270 C C5 . G A 1 9 ? -4.029 0.769 -1.681 1.00 0.35 ? 9 G A C5 1
1179
+ ATOM 271 C C6 . G A 1 9 ? -3.413 1.060 -0.433 1.00 0.35 ? 9 G A C6 1
1180
+ ATOM 272 O O6 . G A 1 9 ? -3.560 0.485 0.644 1.00 0.41 ? 9 G A O6 1
1181
+ ATOM 273 N N1 . G A 1 9 ? -2.545 2.133 -0.531 1.00 0.31 ? 9 G A N1 1
1182
+ ATOM 274 C C2 . G A 1 9 ? -2.293 2.844 -1.683 1.00 0.28 ? 9 G A C2 1
1183
+ ATOM 275 N N2 . G A 1 9 ? -1.436 3.860 -1.592 1.00 0.30 ? 9 G A N2 1
1184
+ ATOM 276 N N3 . G A 1 9 ? -2.862 2.578 -2.860 1.00 0.28 ? 9 G A N3 1
1185
+ ATOM 277 C C4 . G A 1 9 ? -3.718 1.530 -2.782 1.00 0.30 ? 9 G A C4 1
1186
+ ATOM 278 H "H5'" . G A 1 9 ? -8.184 2.113 -7.365 1.00 1.18 ? 9 G A "H5'" 1
1187
+ ATOM 279 H "H5''" . G A 1 9 ? -7.717 0.882 -6.172 1.00 1.14 ? 9 G A "H5''" 1
1188
+ ATOM 280 H "H4'" . G A 1 9 ? -6.121 3.265 -7.138 1.00 0.44 ? 9 G A "H4'" 1
1189
+ ATOM 281 H "H3'" . G A 1 9 ? -5.949 0.634 -8.036 1.00 0.51 ? 9 G A "H3'" 1
1190
+ ATOM 282 H "H2'" . G A 1 9 ? -5.246 -0.341 -5.943 1.00 0.43 ? 9 G A "H2'" 1
1191
+ ATOM 283 H "HO2'" . G A 1 9 ? -3.524 -0.494 -7.549 1.00 0.43 ? 9 G A "HO2'" 1
1192
+ ATOM 284 H "H1'" . G A 1 9 ? -3.531 2.115 -5.367 1.00 0.28 ? 9 G A "H1'" 1
1193
+ ATOM 285 H H8 . G A 1 9 ? -5.894 -0.622 -3.841 1.00 0.42 ? 9 G A H8 1
1194
+ ATOM 286 H H1 . G A 1 9 ? -2.068 2.415 0.312 1.00 0.33 ? 9 G A H1 1
1195
+ ATOM 287 H H21 . G A 1 9 ? -1.060 4.124 -0.693 1.00 0.32 ? 9 G A H21 1
1196
+ ATOM 288 H H22 . G A 1 9 ? -1.167 4.370 -2.421 1.00 0.32 ? 9 G A H22 1
1197
+ ATOM 289 P P . C A 1 10 ? -3.620 1.302 -9.372 1.00 0.54 ? 10 C A P 1
1198
+ ATOM 290 O OP1 . C A 1 10 ? -4.093 1.982 -10.599 1.00 1.02 ? 10 C A OP1 1
1199
+ ATOM 291 O OP2 . C A 1 10 ? -3.745 -0.168 -9.247 1.00 0.92 ? 10 C A OP2 1
1200
+ ATOM 292 O "O5'" . C A 1 10 ? -2.079 1.697 -9.138 1.00 0.49 ? 10 C A "O5'" 1
1201
+ ATOM 293 C "C5'" . C A 1 10 ? -1.655 3.056 -9.256 1.00 0.46 ? 10 C A "C5'" 1
1202
+ ATOM 294 C "C4'" . C A 1 10 ? -0.333 3.291 -8.535 1.00 0.50 ? 10 C A "C4'" 1
1203
+ ATOM 295 O "O4'" . C A 1 10 ? -0.586 3.534 -7.150 1.00 0.46 ? 10 C A "O4'" 1
1204
+ ATOM 296 C "C3'" . C A 1 10 ? 0.606 2.104 -8.526 1.00 0.57 ? 10 C A "C3'" 1
1205
+ ATOM 297 O "O3'" . C A 1 10 ? 1.446 2.220 -9.675 1.00 0.67 ? 10 C A "O3'" 1
1206
+ ATOM 298 C "C2'" . C A 1 10 ? 1.473 2.365 -7.305 1.00 0.60 ? 10 C A "C2'" 1
1207
+ ATOM 299 O "O2'" . C A 1 10 ? 2.536 3.266 -7.628 1.00 0.70 ? 10 C A "O2'" 1
1208
+ ATOM 300 C "C1'" . C A 1 10 ? 0.486 3.024 -6.338 1.00 0.50 ? 10 C A "C1'" 1
1209
+ ATOM 301 N N1 . C A 1 10 ? -0.079 2.049 -5.372 1.00 0.43 ? 10 C A N1 1
1210
+ ATOM 302 C C2 . C A 1 10 ? 0.442 2.021 -4.081 1.00 0.43 ? 10 C A C2 1
1211
+ ATOM 303 O O2 . C A 1 10 ? 1.342 2.795 -3.760 1.00 0.48 ? 10 C A O2 1
1212
+ ATOM 304 N N3 . C A 1 10 ? -0.061 1.121 -3.193 1.00 0.41 ? 10 C A N3 1
1213
+ ATOM 305 C C4 . C A 1 10 ? -1.033 0.276 -3.554 1.00 0.41 ? 10 C A C4 1
1214
+ ATOM 306 N N4 . C A 1 10 ? -1.499 -0.568 -2.636 1.00 0.43 ? 10 C A N4 1
1215
+ ATOM 307 C C5 . C A 1 10 ? -1.569 0.294 -4.878 1.00 0.40 ? 10 C A C5 1
1216
+ ATOM 308 C C6 . C A 1 10 ? -1.072 1.192 -5.748 1.00 0.41 ? 10 C A C6 1
1217
+ ATOM 309 H "H5'" . C A 1 10 ? -2.416 3.707 -8.825 1.00 0.44 ? 10 C A "H5'" 1
1218
+ ATOM 310 H "H5''" . C A 1 10 ? -1.535 3.299 -10.313 1.00 0.51 ? 10 C A "H5''" 1
1219
+ ATOM 311 H "H4'" . C A 1 10 ? 0.158 4.165 -8.965 1.00 0.56 ? 10 C A "H4'" 1
1220
+ ATOM 312 H "H3'" . C A 1 10 ? 0.091 1.144 -8.495 1.00 0.55 ? 10 C A "H3'" 1
1221
+ ATOM 313 H "H2'" . C A 1 10 ? 1.859 1.432 -6.893 1.00 0.64 ? 10 C A "H2'" 1
1222
+ ATOM 314 H "HO2'" . C A 1 10 ? 2.626 3.269 -8.584 1.00 0.87 ? 10 C A "HO2'" 1
1223
+ ATOM 315 H "H1'" . C A 1 10 ? 0.956 3.854 -5.806 1.00 0.55 ? 10 C A "H1'" 1
1224
+ ATOM 316 H H41 . C A 1 10 ? -1.138 -0.538 -1.694 1.00 0.45 ? 10 C A H41 1
1225
+ ATOM 317 H H42 . C A 1 10 ? -2.213 -1.238 -2.882 1.00 0.46 ? 10 C A H42 1
1226
+ ATOM 318 H H5 . C A 1 10 ? -2.332 -0.415 -5.192 1.00 0.42 ? 10 C A H5 1
1227
+ ATOM 319 H H6 . C A 1 10 ? -1.482 1.248 -6.758 1.00 0.42 ? 10 C A H6 1
1228
+ ATOM 320 P P . A A 1 11 ? 2.382 0.989 -10.118 1.00 0.78 ? 11 A A P 1
1229
+ ATOM 321 O OP1 . A A 1 11 ? 3.471 1.516 -10.972 1.00 0.90 ? 11 A A OP1 1
1230
+ ATOM 322 O OP2 . A A 1 11 ? 1.511 -0.098 -10.618 1.00 0.76 ? 11 A A OP2 1
1231
+ ATOM 323 O "O5'" . A A 1 11 ? 3.020 0.521 -8.717 1.00 0.79 ? 11 A A "O5'" 1
1232
+ ATOM 324 C "C5'" . A A 1 11 ? 4.241 1.097 -8.250 1.00 0.86 ? 11 A A "C5'" 1
1233
+ ATOM 325 C "C4'" . A A 1 11 ? 4.879 0.247 -7.159 1.00 0.86 ? 11 A A "C4'" 1
1234
+ ATOM 326 O "O4'" . A A 1 11 ? 4.199 0.460 -5.920 1.00 0.75 ? 11 A A "O4'" 1
1235
+ ATOM 327 C "C3'" . A A 1 11 ? 4.775 -1.247 -7.371 1.00 0.89 ? 11 A A "C3'" 1
1236
+ ATOM 328 O "O3'" . A A 1 11 ? 5.938 -1.653 -8.098 1.00 1.04 ? 11 A A "O3'" 1
1237
+ ATOM 329 C "C2'" . A A 1 11 ? 4.914 -1.808 -5.965 1.00 0.85 ? 11 A A "C2'" 1
1238
+ ATOM 330 O "O2'" . A A 1 11 ? 6.291 -2.000 -5.635 1.00 0.95 ? 11 A A "O2'" 1
1239
+ ATOM 331 C "C1'" . A A 1 11 ? 4.299 -0.712 -5.093 1.00 0.74 ? 11 A A "C1'" 1
1240
+ ATOM 332 N N9 . A A 1 11 ? 2.967 -1.103 -4.599 1.00 0.63 ? 11 A A N9 1
1241
+ ATOM 333 C C8 . A A 1 11 ? 1.789 -1.218 -5.291 1.00 0.61 ? 11 A A C8 1
1242
+ ATOM 334 N N7 . A A 1 11 ? 0.801 -1.675 -4.569 1.00 0.57 ? 11 A A N7 1
1243
+ ATOM 335 C C5 . A A 1 11 ? 1.370 -1.872 -3.314 1.00 0.55 ? 11 A A C5 1
1244
+ ATOM 336 C C6 . A A 1 11 ? 0.854 -2.345 -2.094 1.00 0.54 ? 11 A A C6 1
1245
+ ATOM 337 N N6 . A A 1 11 ? -0.405 -2.748 -1.930 1.00 0.58 ? 11 A A N6 1
1246
+ ATOM 338 N N1 . A A 1 11 ? 1.692 -2.413 -1.047 1.00 0.54 ? 11 A A N1 1
1247
+ ATOM 339 C C2 . A A 1 11 ? 2.954 -2.037 -1.204 1.00 0.56 ? 11 A A C2 1
1248
+ ATOM 340 N N3 . A A 1 11 ? 3.557 -1.581 -2.290 1.00 0.60 ? 11 A A N3 1
1249
+ ATOM 341 C C4 . A A 1 11 ? 2.688 -1.524 -3.322 1.00 0.58 ? 11 A A C4 1
1250
+ ATOM 342 H "H5'" . A A 1 11 ? 4.040 2.092 -7.854 1.00 0.84 ? 11 A A "H5'" 1
1251
+ ATOM 343 H "H5''" . A A 1 11 ? 4.935 1.181 -9.085 1.00 0.96 ? 11 A A "H5''" 1
1252
+ ATOM 344 H "H4'" . A A 1 11 ? 5.921 0.545 -7.045 1.00 0.95 ? 11 A A "H4'" 1
1253
+ ATOM 345 H "H3'" . A A 1 11 ? 3.855 -1.552 -7.871 1.00 0.86 ? 11 A A "H3'" 1
1254
+ ATOM 346 H "H2'" . A A 1 11 ? 4.347 -2.734 -5.864 1.00 0.84 ? 11 A A "H2'" 1
1255
+ ATOM 347 H "HO2'" . A A 1 11 ? 6.341 -2.758 -5.048 1.00 0.97 ? 11 A A "HO2'" 1
1256
+ ATOM 348 H "H1'" . A A 1 11 ? 4.944 -0.492 -4.242 1.00 0.76 ? 11 A A "H1'" 1
1257
+ ATOM 349 H H8 . A A 1 11 ? 1.689 -0.959 -6.345 1.00 0.64 ? 11 A A H8 1
1258
+ ATOM 350 H H61 . A A 1 11 ? -0.697 -3.144 -1.048 1.00 0.60 ? 11 A A H61 1
1259
+ ATOM 351 H H62 . A A 1 11 ? -1.067 -2.657 -2.686 1.00 0.60 ? 11 A A H62 1
1260
+ ATOM 352 H H2 . A A 1 11 ? 3.582 -2.115 -0.316 1.00 0.58 ? 11 A A H2 1
1261
+ ATOM 353 P P . C A 1 12 ? 6.108 -3.179 -8.583 1.00 1.15 ? 12 C A P 1
1262
+ ATOM 354 O OP1 . C A 1 12 ? 7.307 -3.259 -9.448 1.00 1.29 ? 12 C A OP1 1
1263
+ ATOM 355 O OP2 . C A 1 12 ? 4.801 -3.654 -9.090 1.00 1.11 ? 12 C A OP2 1
1264
+ ATOM 356 O "O5'" . C A 1 12 ? 6.427 -3.954 -7.207 1.00 1.15 ? 12 C A "O5'" 1
1265
+ ATOM 357 C "C5'" . C A 1 12 ? 7.776 -4.103 -6.756 1.00 1.22 ? 12 C A "C5'" 1
1266
+ ATOM 358 C "C4'" . C A 1 12 ? 7.840 -4.618 -5.319 1.00 1.18 ? 12 C A "C4'" 1
1267
+ ATOM 359 O "O4'" . C A 1 12 ? 6.789 -4.030 -4.552 1.00 1.04 ? 12 C A "O4'" 1
1268
+ ATOM 360 C "C3'" . C A 1 12 ? 7.601 -6.105 -5.157 1.00 1.24 ? 12 C A "C3'" 1
1269
+ ATOM 361 O "O3'" . C A 1 12 ? 8.869 -6.754 -5.271 1.00 1.40 ? 12 C A "O3'" 1
1270
+ ATOM 362 C "C2'" . C A 1 12 ? 7.166 -6.216 -3.704 1.00 1.16 ? 12 C A "C2'" 1
1271
+ ATOM 363 O "O2'" . C A 1 12 ? 8.305 -6.242 -2.840 1.00 1.23 ? 12 C A "O2'" 1
1272
+ ATOM 364 C "C1'" . C A 1 12 ? 6.370 -4.923 -3.503 1.00 1.01 ? 12 C A "C1'" 1
1273
+ ATOM 365 N N1 . C A 1 12 ? 4.908 -5.142 -3.627 1.00 0.94 ? 12 C A N1 1
1274
+ ATOM 366 C C2 . C A 1 12 ? 4.169 -5.315 -2.462 1.00 0.87 ? 12 C A C2 1
1275
+ ATOM 367 O O2 . C A 1 12 ? 4.726 -5.284 -1.366 1.00 0.86 ? 12 C A O2 1
1276
+ ATOM 368 N N3 . C A 1 12 ? 2.826 -5.518 -2.562 1.00 0.85 ? 12 C A N3 1
1277
+ ATOM 369 C C4 . C A 1 12 ? 2.228 -5.551 -3.759 1.00 0.89 ? 12 C A C4 1
1278
+ ATOM 370 N N4 . C A 1 12 ? 0.911 -5.751 -3.791 1.00 0.90 ? 12 C A N4 1
1279
+ ATOM 371 C C5 . C A 1 12 ? 2.980 -5.375 -4.963 1.00 0.94 ? 12 C A C5 1
1280
+ ATOM 372 C C6 . C A 1 12 ? 4.307 -5.174 -4.852 1.00 0.97 ? 12 C A C6 1
1281
+ ATOM 373 H "H5'" . C A 1 12 ? 8.276 -3.135 -6.811 1.00 1.20 ? 12 C A "H5'" 1
1282
+ ATOM 374 H "H5''" . C A 1 12 ? 8.294 -4.807 -7.408 1.00 1.35 ? 12 C A "H5''" 1
1283
+ ATOM 375 H "H4'" . C A 1 12 ? 8.799 -4.335 -4.882 1.00 1.24 ? 12 C A "H4'" 1
1284
+ ATOM 376 H "H3'" . C A 1 12 ? 6.872 -6.506 -5.861 1.00 1.25 ? 12 C A "H3'" 1
1285
+ ATOM 377 H "H2'" . C A 1 12 ? 6.535 -7.091 -3.549 1.00 1.19 ? 12 C A "H2'" 1
1286
+ ATOM 378 H "HO2'" . C A 1 12 ? 9.084 -6.303 -3.398 1.00 1.42 ? 12 C A "HO2'" 1
1287
+ ATOM 379 H "H1'" . C A 1 12 ? 6.601 -4.469 -2.537 1.00 0.97 ? 12 C A "H1'" 1
1288
+ ATOM 380 H H41 . C A 1 12 ? 0.393 -5.840 -2.928 1.00 0.89 ? 12 C A H41 1
1289
+ ATOM 381 H H42 . C A 1 12 ? 0.430 -5.814 -4.677 1.00 0.95 ? 12 C A H42 1
1290
+ ATOM 382 H H5 . C A 1 12 ? 2.504 -5.400 -5.943 1.00 0.99 ? 12 C A H5 1
1291
+ ATOM 383 H H6 . C A 1 12 ? 4.908 -5.037 -5.750 1.00 1.04 ? 12 C A H6 1
1292
+ ATOM 384 P P . C A 1 13 ? 8.959 -8.278 -5.782 1.00 1.53 ? 13 C A P 1
1293
+ ATOM 385 O OP1 . C A 1 13 ? 10.371 -8.713 -5.694 1.00 1.68 ? 13 C A OP1 1
1294
+ ATOM 386 O OP2 . C A 1 13 ? 8.234 -8.379 -7.067 1.00 1.54 ? 13 C A OP2 1
1295
+ ATOM 387 O "O5'" . C A 1 13 ? 8.117 -9.072 -4.664 1.00 1.50 ? 13 C A "O5'" 1
1296
+ ATOM 388 C "C5'" . C A 1 13 ? 8.729 -9.443 -3.426 1.00 1.50 ? 13 C A "C5'" 1
1297
+ ATOM 389 C "C4'" . C A 1 13 ? 7.689 -9.732 -2.348 1.00 1.44 ? 13 C A "C4'" 1
1298
+ ATOM 390 O "O4'" . C A 1 13 ? 6.623 -8.799 -2.456 1.00 1.29 ? 13 C A "O4'" 1
1299
+ ATOM 391 C "C3'" . C A 1 13 ? 6.991 -11.073 -2.473 1.00 1.55 ? 13 C A "C3'" 1
1300
+ ATOM 392 O "O3'" . C A 1 13 ? 7.782 -12.105 -1.879 1.00 1.69 ? 13 C A "O3'" 1
1301
+ ATOM 393 C "C2'" . C A 1 13 ? 5.714 -10.842 -1.664 1.00 1.45 ? 13 C A "C2'" 1
1302
+ ATOM 394 O "O2'" . C A 1 13 ? 5.933 -11.157 -0.287 1.00 1.47 ? 13 C A "O2'" 1
1303
+ ATOM 395 C "C1'" . C A 1 13 ? 5.453 -9.338 -1.832 1.00 1.28 ? 13 C A "C1'" 1
1304
+ ATOM 396 N N1 . C A 1 13 ? 4.284 -9.068 -2.700 1.00 1.24 ? 13 C A N1 1
1305
+ ATOM 397 C C2 . C A 1 13 ? 3.031 -9.023 -2.103 1.00 1.20 ? 13 C A C2 1
1306
+ ATOM 398 O O2 . C A 1 13 ? 2.919 -9.199 -0.892 1.00 1.18 ? 13 C A O2 1
1307
+ ATOM 399 N N3 . C A 1 13 ? 1.943 -8.782 -2.884 1.00 1.19 ? 13 C A N3 1
1308
+ ATOM 400 C C4 . C A 1 13 ? 2.077 -8.593 -4.203 1.00 1.22 ? 13 C A C4 1
1309
+ ATOM 401 N N4 . C A 1 13 ? 0.974 -8.363 -4.915 1.00 1.22 ? 13 C A N4 1
1310
+ ATOM 402 C C5 . C A 1 13 ? 3.365 -8.638 -4.826 1.00 1.26 ? 13 C A C5 1
1311
+ ATOM 403 C C6 . C A 1 13 ? 4.434 -8.877 -4.043 1.00 1.28 ? 13 C A C6 1
1312
+ ATOM 404 H "H5'" . C A 1 13 ? 9.374 -8.630 -3.092 1.00 1.44 ? 13 C A "H5'" 1
1313
+ ATOM 405 H "H5''" . C A 1 13 ? 9.334 -10.336 -3.583 1.00 1.63 ? 13 C A "H5''" 1
1314
+ ATOM 406 H "H4'" . C A 1 13 ? 8.153 -9.629 -1.367 1.00 1.44 ? 13 C A "H4'" 1
1315
+ ATOM 407 H "H3'" . C A 1 13 ? 6.761 -11.300 -3.514 1.00 1.58 ? 13 C A "H3'" 1
1316
+ ATOM 408 H "HO3'" . C A 1 13 ? 8.419 -11.679 -1.301 1.00 2.07 ? 13 C A "HO3'" 1
1317
+ ATOM 409 H "H2'" . C A 1 13 ? 4.888 -11.426 -2.071 1.00 1.51 ? 13 C A "H2'" 1
1318
+ ATOM 410 H "HO2'" . C A 1 13 ? 5.254 -11.784 -0.026 1.00 1.70 ? 13 C A "HO2'" 1
1319
+ ATOM 411 H "H1'" . C A 1 13 ? 5.313 -8.857 -0.863 1.00 1.21 ? 13 C A "H1'" 1
1320
+ ATOM 412 H H41 . C A 1 13 ? 0.073 -8.343 -4.458 1.00 1.22 ? 13 C A H41 1
1321
+ ATOM 413 H H42 . C A 1 13 ? 1.037 -8.211 -5.912 1.00 1.25 ? 13 C A H42 1
1322
+ ATOM 414 H H5 . C A 1 13 ? 3.486 -8.483 -5.898 1.00 1.29 ? 13 C A H5 1
1323
+ ATOM 415 H H6 . C A 1 13 ? 5.428 -8.924 -4.487 1.00 1.33 ? 13 C A H6 1
1324
+ #
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1
+ data_387D
2
+ #
3
+ _entry.id 387D
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 387D pdb_0000387d 10.2210/pdb387d/pdb
15
+ NDB URX072 ? ?
16
+ RCSB RCSB001353 ? ?
17
+ WWPDB D_1000001353 ? ?
18
+ #
19
+ loop_
20
+ _pdbx_audit_revision_history.ordinal
21
+ _pdbx_audit_revision_history.data_content_type
22
+ _pdbx_audit_revision_history.major_revision
23
+ _pdbx_audit_revision_history.minor_revision
24
+ _pdbx_audit_revision_history.revision_date
25
+ 1 'Structure model' 1 0 2003-08-26
26
+ 2 'Structure model' 1 1 2008-04-26
27
+ 3 'Structure model' 1 2 2011-07-13
28
+ 4 'Structure model' 1 3 2018-04-04
29
+ 5 'Structure model' 1 4 2023-12-27
30
+ #
31
+ _pdbx_audit_revision_details.ordinal 1
32
+ _pdbx_audit_revision_details.revision_ordinal 1
33
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
34
+ _pdbx_audit_revision_details.provider repository
35
+ _pdbx_audit_revision_details.type 'Initial release'
36
+ _pdbx_audit_revision_details.description ?
37
+ _pdbx_audit_revision_details.details ?
38
+ #
39
+ loop_
40
+ _pdbx_audit_revision_group.ordinal
41
+ _pdbx_audit_revision_group.revision_ordinal
42
+ _pdbx_audit_revision_group.data_content_type
43
+ _pdbx_audit_revision_group.group
44
+ 1 2 'Structure model' 'Version format compliance'
45
+ 2 3 'Structure model' 'Version format compliance'
46
+ 3 4 'Structure model' 'Data collection'
47
+ 4 5 'Structure model' 'Data collection'
48
+ 5 5 'Structure model' 'Database references'
49
+ #
50
+ loop_
51
+ _pdbx_audit_revision_category.ordinal
52
+ _pdbx_audit_revision_category.revision_ordinal
53
+ _pdbx_audit_revision_category.data_content_type
54
+ _pdbx_audit_revision_category.category
55
+ 1 4 'Structure model' diffrn_source
56
+ 2 5 'Structure model' chem_comp_atom
57
+ 3 5 'Structure model' chem_comp_bond
58
+ 4 5 'Structure model' database_2
59
+ #
60
+ loop_
61
+ _pdbx_audit_revision_item.ordinal
62
+ _pdbx_audit_revision_item.revision_ordinal
63
+ _pdbx_audit_revision_item.data_content_type
64
+ _pdbx_audit_revision_item.item
65
+ 1 4 'Structure model' '_diffrn_source.type'
66
+ 2 5 'Structure model' '_database_2.pdbx_DOI'
67
+ 3 5 'Structure model' '_database_2.pdbx_database_accession'
68
+ #
69
+ _pdbx_database_status.status_code REL
70
+ _pdbx_database_status.entry_id 387D
71
+ _pdbx_database_status.recvd_initial_deposition_date 1998-04-14
72
+ _pdbx_database_status.deposit_site NDB
73
+ _pdbx_database_status.process_site NDB
74
+ _pdbx_database_status.SG_entry .
75
+ _pdbx_database_status.pdb_format_compatible Y
76
+ _pdbx_database_status.status_code_mr ?
77
+ _pdbx_database_status.status_code_sf ?
78
+ _pdbx_database_status.status_code_cs ?
79
+ _pdbx_database_status.methods_development_category ?
80
+ _pdbx_database_status.status_code_nmr_data ?
81
+ #
82
+ loop_
83
+ _audit_author.name
84
+ _audit_author.pdbx_ordinal
85
+ 'Lietzke, S.E.' 1
86
+ 'Kundrot, C.E.' 2
87
+ 'Barnes, C.L.' 3
88
+ #
89
+ loop_
90
+ _citation.id
91
+ _citation.title
92
+ _citation.journal_abbrev
93
+ _citation.journal_volume
94
+ _citation.page_first
95
+ _citation.page_last
96
+ _citation.year
97
+ _citation.journal_id_ASTM
98
+ _citation.country
99
+ _citation.journal_id_ISSN
100
+ _citation.journal_id_CSD
101
+ _citation.book_publisher
102
+ _citation.pdbx_database_id_PubMed
103
+ _citation.pdbx_database_id_DOI
104
+ primary 'The Structure of an RNA Pseudoknot Shows 3D Domain Swapping'
105
+ ;Structure, Motion, Interaction and Expression of Biological Macromolecules, The Proceedings of the Tenth Conversation held at The University-SUNY, Albany NY, June 17-21, 1997
106
+ ;
107
+ 10 91 101 1998 ? US 0-940030-75-6 ? ? -1 ?
108
+ 1 'Preliminary X-ray Diffraction Studies of an RNA Pseudoknot that Inhibits HIV-1 Reverse Transcriptase'
109
+ 'Acta Crystallogr.,Sect.D' 52 1018 1020 1996 ABCRE6 DK 0907-4449 0766 ? ? 10.1107/S0907444996004234
110
+ 2
111
+ ;Comprehensive chemical modification interference and nucleotide substitution analysis of an RNA pseudoknot inhibitor to HIV-1 reverse transcriptase
112
+ ;
113
+ J.Mol.Biol. 247 60 68 1995 JMOBAK UK 0022-2836 0070 ? ? 10.1006/jmbi.1994.0122
114
+ 3 'RNA pseudoknots that inhibit human immunodeficiency' Proc.Natl.Acad.Sci.USA 89 6988 6992 1992 PNASA6 US 0027-8424
115
+ 0040 ? ? ?
116
+ #
117
+ loop_
118
+ _citation_author.citation_id
119
+ _citation_author.name
120
+ _citation_author.ordinal
121
+ _citation_author.identifier_ORCID
122
+ primary 'Lietzke, S.E.' 1 ?
123
+ primary 'Barnes, C.L.' 2 ?
124
+ primary 'Malone, V.F.' 3 ?
125
+ primary 'Jones, J.T.' 4 ?
126
+ primary 'Kundrot, C.E.' 5 ?
127
+ 1 'Jones, J.T.' 6 ?
128
+ 1 'Barnes, C.L.' 7 ?
129
+ 1 'Lietzke, S.E.' 8 ?
130
+ 1 'Wieichenrieder, O.' 9 ?
131
+ 1 'Doudna, J.A.' 10 ?
132
+ 1 'Kundrot, C.E.' 11 ?
133
+ 2 'Green, L.' 12 ?
134
+ 2 'Waugh, S.' 13 ?
135
+ 2 'Brinkley, J.P.' 14 ?
136
+ 2 'Hostomska, Z.' 15 ?
137
+ 2 'Tuerk, C.' 16 ?
138
+ 3 'Tuerk, C.' 17 ?
139
+ 3 'MacDougal, S.' 18 ?
140
+ 3 'Gould, L.' 19 ?
141
+ #
142
+ loop_
143
+ _entity.id
144
+ _entity.type
145
+ _entity.src_method
146
+ _entity.pdbx_description
147
+ _entity.formula_weight
148
+ _entity.pdbx_number_of_molecules
149
+ _entity.pdbx_ec
150
+ _entity.pdbx_mutation
151
+ _entity.pdbx_fragment
152
+ _entity.details
153
+ 1 polymer syn 'RNA Pseudoknot' 8390.091 1 ? ? ? 26-mer
154
+ 2 water nat water 18.015 6 ? ? ? ?
155
+ #
156
+ _entity_keywords.entity_id 1
157
+ _entity_keywords.text RNA
158
+ #
159
+ _entity_poly.entity_id 1
160
+ _entity_poly.type polyribonucleotide
161
+ _entity_poly.nstd_linkage no
162
+ _entity_poly.nstd_monomer no
163
+ _entity_poly.pdbx_seq_one_letter_code UCCGAAGUGCAACGGGAAAAUGCACU
164
+ _entity_poly.pdbx_seq_one_letter_code_can UCCGAAGUGCAACGGGAAAAUGCACU
165
+ _entity_poly.pdbx_strand_id A
166
+ _entity_poly.pdbx_target_identifier ?
167
+ #
168
+ _pdbx_entity_nonpoly.entity_id 2
169
+ _pdbx_entity_nonpoly.name water
170
+ _pdbx_entity_nonpoly.comp_id HOH
171
+ #
172
+ loop_
173
+ _entity_poly_seq.entity_id
174
+ _entity_poly_seq.num
175
+ _entity_poly_seq.mon_id
176
+ _entity_poly_seq.hetero
177
+ 1 1 U n
178
+ 1 2 C n
179
+ 1 3 C n
180
+ 1 4 G n
181
+ 1 5 A n
182
+ 1 6 A n
183
+ 1 7 G n
184
+ 1 8 U n
185
+ 1 9 G n
186
+ 1 10 C n
187
+ 1 11 A n
188
+ 1 12 A n
189
+ 1 13 C n
190
+ 1 14 G n
191
+ 1 15 G n
192
+ 1 16 G n
193
+ 1 17 A n
194
+ 1 18 A n
195
+ 1 19 A n
196
+ 1 20 A n
197
+ 1 21 U n
198
+ 1 22 G n
199
+ 1 23 C n
200
+ 1 24 A n
201
+ 1 25 C n
202
+ 1 26 U n
203
+ #
204
+ loop_
205
+ _chem_comp.id
206
+ _chem_comp.type
207
+ _chem_comp.mon_nstd_flag
208
+ _chem_comp.name
209
+ _chem_comp.pdbx_synonyms
210
+ _chem_comp.formula
211
+ _chem_comp.formula_weight
212
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
213
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
214
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
215
+ HOH non-polymer . WATER ? 'H2 O' 18.015
216
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
217
+ #
218
+ loop_
219
+ _pdbx_poly_seq_scheme.asym_id
220
+ _pdbx_poly_seq_scheme.entity_id
221
+ _pdbx_poly_seq_scheme.seq_id
222
+ _pdbx_poly_seq_scheme.mon_id
223
+ _pdbx_poly_seq_scheme.ndb_seq_num
224
+ _pdbx_poly_seq_scheme.pdb_seq_num
225
+ _pdbx_poly_seq_scheme.auth_seq_num
226
+ _pdbx_poly_seq_scheme.pdb_mon_id
227
+ _pdbx_poly_seq_scheme.auth_mon_id
228
+ _pdbx_poly_seq_scheme.pdb_strand_id
229
+ _pdbx_poly_seq_scheme.pdb_ins_code
230
+ _pdbx_poly_seq_scheme.hetero
231
+ A 1 1 U 1 1 1 U U A . n
232
+ A 1 2 C 2 2 2 C C A . n
233
+ A 1 3 C 3 3 3 C C A . n
234
+ A 1 4 G 4 4 4 G G A . n
235
+ A 1 5 A 5 5 5 A A A . n
236
+ A 1 6 A 6 6 6 A A A . n
237
+ A 1 7 G 7 7 7 G G A . n
238
+ A 1 8 U 8 8 8 U U A . n
239
+ A 1 9 G 9 9 9 G G A . n
240
+ A 1 10 C 10 10 10 C C A . n
241
+ A 1 11 A 11 11 11 A A A . n
242
+ A 1 12 A 12 12 12 A A A . n
243
+ A 1 13 C 13 13 13 C C A . n
244
+ A 1 14 G 14 14 14 G G A . n
245
+ A 1 15 G 15 15 15 G G A . n
246
+ A 1 16 G 16 16 16 G G A . n
247
+ A 1 17 A 17 17 17 A A A . n
248
+ A 1 18 A 18 18 18 A A A . n
249
+ A 1 19 A 19 19 19 A A A . n
250
+ A 1 20 A 20 20 20 A A A . n
251
+ A 1 21 U 21 21 21 U U A . n
252
+ A 1 22 G 22 22 22 G G A . n
253
+ A 1 23 C 23 23 23 C C A . n
254
+ A 1 24 A 24 24 24 A A A . n
255
+ A 1 25 C 25 25 25 C C A . n
256
+ A 1 26 U 26 26 26 U U A . n
257
+ #
258
+ loop_
259
+ _pdbx_nonpoly_scheme.asym_id
260
+ _pdbx_nonpoly_scheme.entity_id
261
+ _pdbx_nonpoly_scheme.mon_id
262
+ _pdbx_nonpoly_scheme.ndb_seq_num
263
+ _pdbx_nonpoly_scheme.pdb_seq_num
264
+ _pdbx_nonpoly_scheme.auth_seq_num
265
+ _pdbx_nonpoly_scheme.pdb_mon_id
266
+ _pdbx_nonpoly_scheme.auth_mon_id
267
+ _pdbx_nonpoly_scheme.pdb_strand_id
268
+ _pdbx_nonpoly_scheme.pdb_ins_code
269
+ B 2 HOH 1 27 1 HOH HOH A .
270
+ B 2 HOH 2 28 2 HOH HOH A .
271
+ B 2 HOH 3 29 3 HOH HOH A .
272
+ B 2 HOH 4 30 4 HOH HOH A .
273
+ B 2 HOH 5 31 5 HOH HOH A .
274
+ B 2 HOH 6 32 6 HOH HOH A .
275
+ #
276
+ loop_
277
+ _software.name
278
+ _software.classification
279
+ _software.version
280
+ _software.citation_id
281
+ _software.pdbx_ordinal
282
+ XDS 'data scaling' . ? 1
283
+ XSCALE 'data scaling' . ? 2
284
+ X-PLOR refinement 3.1 ? 3
285
+ XDS 'data reduction' . ? 4
286
+ #
287
+ _cell.entry_id 387D
288
+ _cell.length_a 61.600
289
+ _cell.length_b 61.600
290
+ _cell.length_c 98.900
291
+ _cell.angle_alpha 90.00
292
+ _cell.angle_beta 90.00
293
+ _cell.angle_gamma 90.00
294
+ _cell.Z_PDB 8
295
+ _cell.pdbx_unique_axis ?
296
+ #
297
+ _symmetry.entry_id 387D
298
+ _symmetry.space_group_name_H-M 'P 43 2 2'
299
+ _symmetry.pdbx_full_space_group_name_H-M ?
300
+ _symmetry.cell_setting tetragonal
301
+ _symmetry.Int_Tables_number 95
302
+ #
303
+ _exptl.entry_id 387D
304
+ _exptl.method 'X-RAY DIFFRACTION'
305
+ _exptl.crystals_number 1
306
+ #
307
+ _exptl_crystal.id 1
308
+ _exptl_crystal.density_meas ?
309
+ _exptl_crystal.density_percent_sol 78.00
310
+ _exptl_crystal.density_Matthews 5.59
311
+ _exptl_crystal.description ?
312
+ #
313
+ _exptl_crystal_grow.crystal_id 1
314
+ _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
315
+ _exptl_crystal_grow.temp 293.00
316
+ _exptl_crystal_grow.pH 6.50
317
+ _exptl_crystal_grow.pdbx_details 'pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 293.00K'
318
+ _exptl_crystal_grow.temp_details ?
319
+ _exptl_crystal_grow.pdbx_pH_range .
320
+ #
321
+ loop_
322
+ _exptl_crystal_grow_comp.crystal_id
323
+ _exptl_crystal_grow_comp.id
324
+ _exptl_crystal_grow_comp.sol_id
325
+ _exptl_crystal_grow_comp.name
326
+ _exptl_crystal_grow_comp.volume
327
+ _exptl_crystal_grow_comp.conc
328
+ _exptl_crystal_grow_comp.details
329
+ 1 1 1 MGCL2 1 2 3
330
+ 1 2 1 'SODIUM CACODYLATE' 4 5 6
331
+ 1 3 1 'SODIUM ACETATE' 7 8 9
332
+ 1 4 2 'SODIUM CACODYLATE' 10 11 12
333
+ 1 5 2 'SODIUM ACETATE' 13 14 15
334
+ #
335
+ _diffrn.id 1
336
+ _diffrn.ambient_temp 100.00
337
+ _diffrn.ambient_temp_details ?
338
+ _diffrn.crystal_id 1
339
+ #
340
+ _diffrn_detector.diffrn_id 1
341
+ _diffrn_detector.detector 'AREA DETECTOR'
342
+ _diffrn_detector.type SIEMENS
343
+ _diffrn_detector.pdbx_collection_date 1995-10-26
344
+ _diffrn_detector.details ?
345
+ #
346
+ _diffrn_radiation.diffrn_id 1
347
+ _diffrn_radiation.wavelength_id 1
348
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
349
+ _diffrn_radiation.monochromator ?
350
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
351
+ _diffrn_radiation.pdbx_scattering_type x-ray
352
+ #
353
+ _diffrn_radiation_wavelength.id 1
354
+ _diffrn_radiation_wavelength.wavelength .
355
+ _diffrn_radiation_wavelength.wt 1.0
356
+ #
357
+ _diffrn_source.diffrn_id 1
358
+ _diffrn_source.source 'ROTATING ANODE'
359
+ _diffrn_source.type 'RIGAKU RU200'
360
+ _diffrn_source.pdbx_synchrotron_site ?
361
+ _diffrn_source.pdbx_synchrotron_beamline ?
362
+ _diffrn_source.pdbx_wavelength ?
363
+ _diffrn_source.pdbx_wavelength_list ?
364
+ #
365
+ _reflns.entry_id 387D
366
+ _reflns.observed_criterion_sigma_I 0.000
367
+ _reflns.observed_criterion_sigma_F 0.000
368
+ _reflns.d_resolution_low 50.000
369
+ _reflns.d_resolution_high 3.100
370
+ _reflns.number_obs 3615
371
+ _reflns.number_all 3615
372
+ _reflns.percent_possible_obs 95.200
373
+ _reflns.pdbx_Rmerge_I_obs 0.051
374
+ _reflns.pdbx_Rsym_value ?
375
+ _reflns.pdbx_netI_over_sigmaI ?
376
+ _reflns.B_iso_Wilson_estimate ?
377
+ _reflns.pdbx_redundancy 2.700
378
+ _reflns.R_free_details ?
379
+ _reflns.pdbx_diffrn_id 1
380
+ _reflns.pdbx_ordinal 1
381
+ #
382
+ _refine.entry_id 387D
383
+ _refine.ls_number_reflns_obs 3467
384
+ _refine.ls_number_reflns_all ?
385
+ _refine.pdbx_ls_sigma_I ?
386
+ _refine.pdbx_ls_sigma_F 2.000
387
+ _refine.pdbx_data_cutoff_high_absF ?
388
+ _refine.pdbx_data_cutoff_low_absF ?
389
+ _refine.pdbx_data_cutoff_high_rms_absF ?
390
+ _refine.ls_d_res_low 10.000
391
+ _refine.ls_d_res_high 3.100
392
+ _refine.ls_percent_reflns_obs ?
393
+ _refine.ls_R_factor_obs 0.1811
394
+ _refine.ls_R_factor_all ?
395
+ _refine.ls_R_factor_R_work 0.181
396
+ _refine.ls_R_factor_R_free 0.234
397
+ _refine.ls_R_factor_R_free_error ?
398
+ _refine.ls_R_factor_R_free_error_details ?
399
+ _refine.ls_percent_reflns_R_free 7.3
400
+ _refine.ls_number_reflns_R_free 254
401
+ _refine.ls_number_parameters ?
402
+ _refine.ls_number_restraints ?
403
+ _refine.occupancy_min ?
404
+ _refine.occupancy_max ?
405
+ _refine.B_iso_mean ?
406
+ _refine.aniso_B[1][1] ?
407
+ _refine.aniso_B[2][2] ?
408
+ _refine.aniso_B[3][3] ?
409
+ _refine.aniso_B[1][2] ?
410
+ _refine.aniso_B[1][3] ?
411
+ _refine.aniso_B[2][3] ?
412
+ _refine.solvent_model_details ?
413
+ _refine.solvent_model_param_ksol ?
414
+ _refine.solvent_model_param_bsol ?
415
+ _refine.pdbx_ls_cross_valid_method ?
416
+ _refine.details ?
417
+ _refine.pdbx_starting_model ?
418
+ _refine.pdbx_method_to_determine_struct ?
419
+ _refine.pdbx_isotropic_thermal_model ?
420
+ _refine.pdbx_stereochemistry_target_values ?
421
+ _refine.pdbx_stereochem_target_val_spec_case ?
422
+ _refine.pdbx_R_Free_selection_details ?
423
+ _refine.pdbx_overall_ESU_R ?
424
+ _refine.pdbx_overall_ESU_R_Free ?
425
+ _refine.overall_SU_ML ?
426
+ _refine.overall_SU_B ?
427
+ _refine.ls_redundancy_reflns_obs ?
428
+ _refine.correlation_coeff_Fo_to_Fc ?
429
+ _refine.overall_SU_R_Cruickshank_DPI ?
430
+ _refine.overall_SU_R_free ?
431
+ _refine.correlation_coeff_Fo_to_Fc_free ?
432
+ _refine.pdbx_solvent_vdw_probe_radii ?
433
+ _refine.pdbx_solvent_ion_probe_radii ?
434
+ _refine.pdbx_solvent_shrinkage_radii ?
435
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
436
+ _refine.pdbx_diffrn_id 1
437
+ _refine.pdbx_TLS_residual_ADP_flag ?
438
+ _refine.pdbx_overall_phase_error ?
439
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
440
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
441
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
442
+ #
443
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
444
+ _refine_hist.cycle_id LAST
445
+ _refine_hist.pdbx_number_atoms_protein 0
446
+ _refine_hist.pdbx_number_atoms_nucleic_acid 639
447
+ _refine_hist.pdbx_number_atoms_ligand 0
448
+ _refine_hist.number_atoms_solvent 18
449
+ _refine_hist.number_atoms_total 657
450
+ _refine_hist.d_res_high 3.100
451
+ _refine_hist.d_res_low 10.000
452
+ #
453
+ loop_
454
+ _refine_ls_restr.type
455
+ _refine_ls_restr.dev_ideal
456
+ _refine_ls_restr.dev_ideal_target
457
+ _refine_ls_restr.weight
458
+ _refine_ls_restr.number
459
+ _refine_ls_restr.pdbx_refine_id
460
+ _refine_ls_restr.pdbx_restraint_function
461
+ x_bond_d 0.013 ? ? ? 'X-RAY DIFFRACTION' ?
462
+ x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
463
+ x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
464
+ x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
465
+ x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
466
+ x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
467
+ x_angle_deg 1.61 ? ? ? 'X-RAY DIFFRACTION' ?
468
+ x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
469
+ x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
470
+ x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
471
+ x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
472
+ x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
473
+ x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
474
+ x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
475
+ x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
476
+ x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
477
+ x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
478
+ x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
479
+ x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
480
+ #
481
+ _database_PDB_matrix.entry_id 387D
482
+ _database_PDB_matrix.origx[1][1] 1.000000
483
+ _database_PDB_matrix.origx[1][2] 0.000000
484
+ _database_PDB_matrix.origx[1][3] 0.000000
485
+ _database_PDB_matrix.origx[2][1] 0.000000
486
+ _database_PDB_matrix.origx[2][2] 1.000000
487
+ _database_PDB_matrix.origx[2][3] 0.000000
488
+ _database_PDB_matrix.origx[3][1] 0.000000
489
+ _database_PDB_matrix.origx[3][2] 0.000000
490
+ _database_PDB_matrix.origx[3][3] 1.000000
491
+ _database_PDB_matrix.origx_vector[1] 0.00000
492
+ _database_PDB_matrix.origx_vector[2] 0.00000
493
+ _database_PDB_matrix.origx_vector[3] 0.00000
494
+ #
495
+ _struct.entry_id 387D
496
+ _struct.title 'RNA Pseudoknot with 3D Domain Swapping'
497
+ _struct.pdbx_model_details ?
498
+ _struct.pdbx_CASP_flag ?
499
+ _struct.pdbx_model_type_details ?
500
+ #
501
+ _struct_keywords.entry_id 387D
502
+ _struct_keywords.pdbx_keywords RNA
503
+ _struct_keywords.text 'RNA PSEUDOKNOT, RNA'
504
+ #
505
+ loop_
506
+ _struct_asym.id
507
+ _struct_asym.pdbx_blank_PDB_chainid_flag
508
+ _struct_asym.pdbx_modified
509
+ _struct_asym.entity_id
510
+ _struct_asym.details
511
+ A N N 1 ?
512
+ B N N 2 ?
513
+ #
514
+ _struct_ref.id 1
515
+ _struct_ref.entity_id 1
516
+ _struct_ref.db_name PDB
517
+ _struct_ref.db_code 387D
518
+ _struct_ref.pdbx_db_accession 387D
519
+ _struct_ref.pdbx_db_isoform ?
520
+ _struct_ref.pdbx_seq_one_letter_code ?
521
+ _struct_ref.pdbx_align_begin ?
522
+ #
523
+ _struct_ref_seq.align_id 1
524
+ _struct_ref_seq.ref_id 1
525
+ _struct_ref_seq.pdbx_PDB_id_code 387D
526
+ _struct_ref_seq.pdbx_strand_id A
527
+ _struct_ref_seq.seq_align_beg 1
528
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
529
+ _struct_ref_seq.seq_align_end 26
530
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
531
+ _struct_ref_seq.pdbx_db_accession 387D
532
+ _struct_ref_seq.db_align_beg 1
533
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
534
+ _struct_ref_seq.db_align_end 26
535
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
536
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
537
+ _struct_ref_seq.pdbx_auth_seq_align_end 26
538
+ #
539
+ _pdbx_struct_assembly.id 1
540
+ _pdbx_struct_assembly.details author_defined_assembly
541
+ _pdbx_struct_assembly.method_details ?
542
+ _pdbx_struct_assembly.oligomeric_details monomeric
543
+ _pdbx_struct_assembly.oligomeric_count 1
544
+ #
545
+ _pdbx_struct_assembly_gen.assembly_id 1
546
+ _pdbx_struct_assembly_gen.oper_expression 1
547
+ _pdbx_struct_assembly_gen.asym_id_list A,B
548
+ #
549
+ _pdbx_struct_oper_list.id 1
550
+ _pdbx_struct_oper_list.type 'identity operation'
551
+ _pdbx_struct_oper_list.name 1_555
552
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
553
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
554
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
555
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
556
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
557
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
558
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
559
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
560
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
561
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
562
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
563
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
564
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
565
+ #
566
+ _struct_biol.id 1
567
+ _struct_biol.pdbx_parent_biol_id ?
568
+ _struct_biol.details ?
569
+ #
570
+ loop_
571
+ _struct_conn.id
572
+ _struct_conn.conn_type_id
573
+ _struct_conn.pdbx_leaving_atom_flag
574
+ _struct_conn.pdbx_PDB_id
575
+ _struct_conn.ptnr1_label_asym_id
576
+ _struct_conn.ptnr1_label_comp_id
577
+ _struct_conn.ptnr1_label_seq_id
578
+ _struct_conn.ptnr1_label_atom_id
579
+ _struct_conn.pdbx_ptnr1_label_alt_id
580
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
581
+ _struct_conn.pdbx_ptnr1_standard_comp_id
582
+ _struct_conn.ptnr1_symmetry
583
+ _struct_conn.ptnr2_label_asym_id
584
+ _struct_conn.ptnr2_label_comp_id
585
+ _struct_conn.ptnr2_label_seq_id
586
+ _struct_conn.ptnr2_label_atom_id
587
+ _struct_conn.pdbx_ptnr2_label_alt_id
588
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
589
+ _struct_conn.ptnr1_auth_asym_id
590
+ _struct_conn.ptnr1_auth_comp_id
591
+ _struct_conn.ptnr1_auth_seq_id
592
+ _struct_conn.ptnr2_auth_asym_id
593
+ _struct_conn.ptnr2_auth_comp_id
594
+ _struct_conn.ptnr2_auth_seq_id
595
+ _struct_conn.ptnr2_symmetry
596
+ _struct_conn.pdbx_ptnr3_label_atom_id
597
+ _struct_conn.pdbx_ptnr3_label_seq_id
598
+ _struct_conn.pdbx_ptnr3_label_comp_id
599
+ _struct_conn.pdbx_ptnr3_label_asym_id
600
+ _struct_conn.pdbx_ptnr3_label_alt_id
601
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
602
+ _struct_conn.details
603
+ _struct_conn.pdbx_dist_value
604
+ _struct_conn.pdbx_value_order
605
+ _struct_conn.pdbx_role
606
+ hydrog1 hydrog ? ? A U 1 N3 ? ? ? 1_555 A A 18 N1 ? ? A U 1 A A 18 1_555 ? ? ? ? ? ? 'U-A PAIR' ? ? ?
607
+ hydrog2 hydrog ? ? A C 2 N3 ? ? ? 1_555 A G 15 N1 ? ? A C 2 A G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
608
+ hydrog3 hydrog ? ? A C 2 N4 ? ? ? 1_555 A G 15 O6 ? ? A C 2 A G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
609
+ hydrog4 hydrog ? ? A C 2 O2 ? ? ? 1_555 A G 15 N2 ? ? A C 2 A G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
610
+ hydrog5 hydrog ? ? A C 3 N3 ? ? ? 1_555 A G 14 N1 ? ? A C 3 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
611
+ hydrog6 hydrog ? ? A C 3 N4 ? ? ? 1_555 A G 14 O6 ? ? A C 3 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
612
+ hydrog7 hydrog ? ? A C 3 O2 ? ? ? 1_555 A G 14 N2 ? ? A C 3 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
613
+ hydrog8 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 13 N3 ? ? A G 4 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
614
+ hydrog9 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 13 O2 ? ? A G 4 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
615
+ hydrog10 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 13 N4 ? ? A G 4 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
616
+ hydrog11 hydrog ? ? A A 5 N1 ? ? ? 1_555 A A 12 N6 ? ? A A 5 A A 12 1_555 ? ? ? ? ? ? 'A-A MISPAIR' ? ? ?
617
+ #
618
+ _struct_conn_type.id hydrog
619
+ _struct_conn_type.criteria ?
620
+ _struct_conn_type.reference ?
621
+ #
622
+ _pdbx_validate_symm_contact.id 1
623
+ _pdbx_validate_symm_contact.PDB_model_num 1
624
+ _pdbx_validate_symm_contact.auth_atom_id_1 O6
625
+ _pdbx_validate_symm_contact.auth_asym_id_1 A
626
+ _pdbx_validate_symm_contact.auth_comp_id_1 G
627
+ _pdbx_validate_symm_contact.auth_seq_id_1 16
628
+ _pdbx_validate_symm_contact.PDB_ins_code_1 ?
629
+ _pdbx_validate_symm_contact.label_alt_id_1 ?
630
+ _pdbx_validate_symm_contact.site_symmetry_1 1_555
631
+ _pdbx_validate_symm_contact.auth_atom_id_2 O6
632
+ _pdbx_validate_symm_contact.auth_asym_id_2 A
633
+ _pdbx_validate_symm_contact.auth_comp_id_2 G
634
+ _pdbx_validate_symm_contact.auth_seq_id_2 16
635
+ _pdbx_validate_symm_contact.PDB_ins_code_2 ?
636
+ _pdbx_validate_symm_contact.label_alt_id_2 ?
637
+ _pdbx_validate_symm_contact.site_symmetry_2 6_566
638
+ _pdbx_validate_symm_contact.dist 2.14
639
+ #
640
+ _pdbx_validate_rmsd_bond.id 1
641
+ _pdbx_validate_rmsd_bond.PDB_model_num 1
642
+ _pdbx_validate_rmsd_bond.auth_atom_id_1 C5
643
+ _pdbx_validate_rmsd_bond.auth_asym_id_1 A
644
+ _pdbx_validate_rmsd_bond.auth_comp_id_1 A
645
+ _pdbx_validate_rmsd_bond.auth_seq_id_1 20
646
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1 ?
647
+ _pdbx_validate_rmsd_bond.label_alt_id_1 ?
648
+ _pdbx_validate_rmsd_bond.auth_atom_id_2 C6
649
+ _pdbx_validate_rmsd_bond.auth_asym_id_2 A
650
+ _pdbx_validate_rmsd_bond.auth_comp_id_2 A
651
+ _pdbx_validate_rmsd_bond.auth_seq_id_2 20
652
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2 ?
653
+ _pdbx_validate_rmsd_bond.label_alt_id_2 ?
654
+ _pdbx_validate_rmsd_bond.bond_value 1.347
655
+ _pdbx_validate_rmsd_bond.bond_target_value 1.406
656
+ _pdbx_validate_rmsd_bond.bond_deviation -0.059
657
+ _pdbx_validate_rmsd_bond.bond_standard_deviation 0.009
658
+ _pdbx_validate_rmsd_bond.linker_flag N
659
+ #
660
+ loop_
661
+ _pdbx_validate_planes.id
662
+ _pdbx_validate_planes.PDB_model_num
663
+ _pdbx_validate_planes.auth_comp_id
664
+ _pdbx_validate_planes.auth_asym_id
665
+ _pdbx_validate_planes.auth_seq_id
666
+ _pdbx_validate_planes.PDB_ins_code
667
+ _pdbx_validate_planes.label_alt_id
668
+ _pdbx_validate_planes.rmsd
669
+ _pdbx_validate_planes.type
670
+ 1 1 G A 4 ? ? 0.061 'SIDE CHAIN'
671
+ 2 1 A A 5 ? ? 0.075 'SIDE CHAIN'
672
+ 3 1 C A 10 ? ? 0.085 'SIDE CHAIN'
673
+ 4 1 A A 11 ? ? 0.056 'SIDE CHAIN'
674
+ 5 1 G A 14 ? ? 0.081 'SIDE CHAIN'
675
+ 6 1 G A 16 ? ? 0.069 'SIDE CHAIN'
676
+ 7 1 C A 25 ? ? 0.093 'SIDE CHAIN'
677
+ #
678
+ loop_
679
+ _chem_comp_atom.comp_id
680
+ _chem_comp_atom.atom_id
681
+ _chem_comp_atom.type_symbol
682
+ _chem_comp_atom.pdbx_aromatic_flag
683
+ _chem_comp_atom.pdbx_stereo_config
684
+ _chem_comp_atom.pdbx_ordinal
685
+ A OP3 O N N 1
686
+ A P P N N 2
687
+ A OP1 O N N 3
688
+ A OP2 O N N 4
689
+ A "O5'" O N N 5
690
+ A "C5'" C N N 6
691
+ A "C4'" C N R 7
692
+ A "O4'" O N N 8
693
+ A "C3'" C N S 9
694
+ A "O3'" O N N 10
695
+ A "C2'" C N R 11
696
+ A "O2'" O N N 12
697
+ A "C1'" C N R 13
698
+ A N9 N Y N 14
699
+ A C8 C Y N 15
700
+ A N7 N Y N 16
701
+ A C5 C Y N 17
702
+ A C6 C Y N 18
703
+ A N6 N N N 19
704
+ A N1 N Y N 20
705
+ A C2 C Y N 21
706
+ A N3 N Y N 22
707
+ A C4 C Y N 23
708
+ A HOP3 H N N 24
709
+ A HOP2 H N N 25
710
+ A "H5'" H N N 26
711
+ A "H5''" H N N 27
712
+ A "H4'" H N N 28
713
+ A "H3'" H N N 29
714
+ A "HO3'" H N N 30
715
+ A "H2'" H N N 31
716
+ A "HO2'" H N N 32
717
+ A "H1'" H N N 33
718
+ A H8 H N N 34
719
+ A H61 H N N 35
720
+ A H62 H N N 36
721
+ A H2 H N N 37
722
+ C OP3 O N N 38
723
+ C P P N N 39
724
+ C OP1 O N N 40
725
+ C OP2 O N N 41
726
+ C "O5'" O N N 42
727
+ C "C5'" C N N 43
728
+ C "C4'" C N R 44
729
+ C "O4'" O N N 45
730
+ C "C3'" C N S 46
731
+ C "O3'" O N N 47
732
+ C "C2'" C N R 48
733
+ C "O2'" O N N 49
734
+ C "C1'" C N R 50
735
+ C N1 N N N 51
736
+ C C2 C N N 52
737
+ C O2 O N N 53
738
+ C N3 N N N 54
739
+ C C4 C N N 55
740
+ C N4 N N N 56
741
+ C C5 C N N 57
742
+ C C6 C N N 58
743
+ C HOP3 H N N 59
744
+ C HOP2 H N N 60
745
+ C "H5'" H N N 61
746
+ C "H5''" H N N 62
747
+ C "H4'" H N N 63
748
+ C "H3'" H N N 64
749
+ C "HO3'" H N N 65
750
+ C "H2'" H N N 66
751
+ C "HO2'" H N N 67
752
+ C "H1'" H N N 68
753
+ C H41 H N N 69
754
+ C H42 H N N 70
755
+ C H5 H N N 71
756
+ C H6 H N N 72
757
+ G OP3 O N N 73
758
+ G P P N N 74
759
+ G OP1 O N N 75
760
+ G OP2 O N N 76
761
+ G "O5'" O N N 77
762
+ G "C5'" C N N 78
763
+ G "C4'" C N R 79
764
+ G "O4'" O N N 80
765
+ G "C3'" C N S 81
766
+ G "O3'" O N N 82
767
+ G "C2'" C N R 83
768
+ G "O2'" O N N 84
769
+ G "C1'" C N R 85
770
+ G N9 N Y N 86
771
+ G C8 C Y N 87
772
+ G N7 N Y N 88
773
+ G C5 C Y N 89
774
+ G C6 C N N 90
775
+ G O6 O N N 91
776
+ G N1 N N N 92
777
+ G C2 C N N 93
778
+ G N2 N N N 94
779
+ G N3 N N N 95
780
+ G C4 C Y N 96
781
+ G HOP3 H N N 97
782
+ G HOP2 H N N 98
783
+ G "H5'" H N N 99
784
+ G "H5''" H N N 100
785
+ G "H4'" H N N 101
786
+ G "H3'" H N N 102
787
+ G "HO3'" H N N 103
788
+ G "H2'" H N N 104
789
+ G "HO2'" H N N 105
790
+ G "H1'" H N N 106
791
+ G H8 H N N 107
792
+ G H1 H N N 108
793
+ G H21 H N N 109
794
+ G H22 H N N 110
795
+ HOH O O N N 111
796
+ HOH H1 H N N 112
797
+ HOH H2 H N N 113
798
+ U OP3 O N N 114
799
+ U P P N N 115
800
+ U OP1 O N N 116
801
+ U OP2 O N N 117
802
+ U "O5'" O N N 118
803
+ U "C5'" C N N 119
804
+ U "C4'" C N R 120
805
+ U "O4'" O N N 121
806
+ U "C3'" C N S 122
807
+ U "O3'" O N N 123
808
+ U "C2'" C N R 124
809
+ U "O2'" O N N 125
810
+ U "C1'" C N R 126
811
+ U N1 N N N 127
812
+ U C2 C N N 128
813
+ U O2 O N N 129
814
+ U N3 N N N 130
815
+ U C4 C N N 131
816
+ U O4 O N N 132
817
+ U C5 C N N 133
818
+ U C6 C N N 134
819
+ U HOP3 H N N 135
820
+ U HOP2 H N N 136
821
+ U "H5'" H N N 137
822
+ U "H5''" H N N 138
823
+ U "H4'" H N N 139
824
+ U "H3'" H N N 140
825
+ U "HO3'" H N N 141
826
+ U "H2'" H N N 142
827
+ U "HO2'" H N N 143
828
+ U "H1'" H N N 144
829
+ U H3 H N N 145
830
+ U H5 H N N 146
831
+ U H6 H N N 147
832
+ #
833
+ loop_
834
+ _chem_comp_bond.comp_id
835
+ _chem_comp_bond.atom_id_1
836
+ _chem_comp_bond.atom_id_2
837
+ _chem_comp_bond.value_order
838
+ _chem_comp_bond.pdbx_aromatic_flag
839
+ _chem_comp_bond.pdbx_stereo_config
840
+ _chem_comp_bond.pdbx_ordinal
841
+ A OP3 P sing N N 1
842
+ A OP3 HOP3 sing N N 2
843
+ A P OP1 doub N N 3
844
+ A P OP2 sing N N 4
845
+ A P "O5'" sing N N 5
846
+ A OP2 HOP2 sing N N 6
847
+ A "O5'" "C5'" sing N N 7
848
+ A "C5'" "C4'" sing N N 8
849
+ A "C5'" "H5'" sing N N 9
850
+ A "C5'" "H5''" sing N N 10
851
+ A "C4'" "O4'" sing N N 11
852
+ A "C4'" "C3'" sing N N 12
853
+ A "C4'" "H4'" sing N N 13
854
+ A "O4'" "C1'" sing N N 14
855
+ A "C3'" "O3'" sing N N 15
856
+ A "C3'" "C2'" sing N N 16
857
+ A "C3'" "H3'" sing N N 17
858
+ A "O3'" "HO3'" sing N N 18
859
+ A "C2'" "O2'" sing N N 19
860
+ A "C2'" "C1'" sing N N 20
861
+ A "C2'" "H2'" sing N N 21
862
+ A "O2'" "HO2'" sing N N 22
863
+ A "C1'" N9 sing N N 23
864
+ A "C1'" "H1'" sing N N 24
865
+ A N9 C8 sing Y N 25
866
+ A N9 C4 sing Y N 26
867
+ A C8 N7 doub Y N 27
868
+ A C8 H8 sing N N 28
869
+ A N7 C5 sing Y N 29
870
+ A C5 C6 sing Y N 30
871
+ A C5 C4 doub Y N 31
872
+ A C6 N6 sing N N 32
873
+ A C6 N1 doub Y N 33
874
+ A N6 H61 sing N N 34
875
+ A N6 H62 sing N N 35
876
+ A N1 C2 sing Y N 36
877
+ A C2 N3 doub Y N 37
878
+ A C2 H2 sing N N 38
879
+ A N3 C4 sing Y N 39
880
+ C OP3 P sing N N 40
881
+ C OP3 HOP3 sing N N 41
882
+ C P OP1 doub N N 42
883
+ C P OP2 sing N N 43
884
+ C P "O5'" sing N N 44
885
+ C OP2 HOP2 sing N N 45
886
+ C "O5'" "C5'" sing N N 46
887
+ C "C5'" "C4'" sing N N 47
888
+ C "C5'" "H5'" sing N N 48
889
+ C "C5'" "H5''" sing N N 49
890
+ C "C4'" "O4'" sing N N 50
891
+ C "C4'" "C3'" sing N N 51
892
+ C "C4'" "H4'" sing N N 52
893
+ C "O4'" "C1'" sing N N 53
894
+ C "C3'" "O3'" sing N N 54
895
+ C "C3'" "C2'" sing N N 55
896
+ C "C3'" "H3'" sing N N 56
897
+ C "O3'" "HO3'" sing N N 57
898
+ C "C2'" "O2'" sing N N 58
899
+ C "C2'" "C1'" sing N N 59
900
+ C "C2'" "H2'" sing N N 60
901
+ C "O2'" "HO2'" sing N N 61
902
+ C "C1'" N1 sing N N 62
903
+ C "C1'" "H1'" sing N N 63
904
+ C N1 C2 sing N N 64
905
+ C N1 C6 sing N N 65
906
+ C C2 O2 doub N N 66
907
+ C C2 N3 sing N N 67
908
+ C N3 C4 doub N N 68
909
+ C C4 N4 sing N N 69
910
+ C C4 C5 sing N N 70
911
+ C N4 H41 sing N N 71
912
+ C N4 H42 sing N N 72
913
+ C C5 C6 doub N N 73
914
+ C C5 H5 sing N N 74
915
+ C C6 H6 sing N N 75
916
+ G OP3 P sing N N 76
917
+ G OP3 HOP3 sing N N 77
918
+ G P OP1 doub N N 78
919
+ G P OP2 sing N N 79
920
+ G P "O5'" sing N N 80
921
+ G OP2 HOP2 sing N N 81
922
+ G "O5'" "C5'" sing N N 82
923
+ G "C5'" "C4'" sing N N 83
924
+ G "C5'" "H5'" sing N N 84
925
+ G "C5'" "H5''" sing N N 85
926
+ G "C4'" "O4'" sing N N 86
927
+ G "C4'" "C3'" sing N N 87
928
+ G "C4'" "H4'" sing N N 88
929
+ G "O4'" "C1'" sing N N 89
930
+ G "C3'" "O3'" sing N N 90
931
+ G "C3'" "C2'" sing N N 91
932
+ G "C3'" "H3'" sing N N 92
933
+ G "O3'" "HO3'" sing N N 93
934
+ G "C2'" "O2'" sing N N 94
935
+ G "C2'" "C1'" sing N N 95
936
+ G "C2'" "H2'" sing N N 96
937
+ G "O2'" "HO2'" sing N N 97
938
+ G "C1'" N9 sing N N 98
939
+ G "C1'" "H1'" sing N N 99
940
+ G N9 C8 sing Y N 100
941
+ G N9 C4 sing Y N 101
942
+ G C8 N7 doub Y N 102
943
+ G C8 H8 sing N N 103
944
+ G N7 C5 sing Y N 104
945
+ G C5 C6 sing N N 105
946
+ G C5 C4 doub Y N 106
947
+ G C6 O6 doub N N 107
948
+ G C6 N1 sing N N 108
949
+ G N1 C2 sing N N 109
950
+ G N1 H1 sing N N 110
951
+ G C2 N2 sing N N 111
952
+ G C2 N3 doub N N 112
953
+ G N2 H21 sing N N 113
954
+ G N2 H22 sing N N 114
955
+ G N3 C4 sing N N 115
956
+ HOH O H1 sing N N 116
957
+ HOH O H2 sing N N 117
958
+ U OP3 P sing N N 118
959
+ U OP3 HOP3 sing N N 119
960
+ U P OP1 doub N N 120
961
+ U P OP2 sing N N 121
962
+ U P "O5'" sing N N 122
963
+ U OP2 HOP2 sing N N 123
964
+ U "O5'" "C5'" sing N N 124
965
+ U "C5'" "C4'" sing N N 125
966
+ U "C5'" "H5'" sing N N 126
967
+ U "C5'" "H5''" sing N N 127
968
+ U "C4'" "O4'" sing N N 128
969
+ U "C4'" "C3'" sing N N 129
970
+ U "C4'" "H4'" sing N N 130
971
+ U "O4'" "C1'" sing N N 131
972
+ U "C3'" "O3'" sing N N 132
973
+ U "C3'" "C2'" sing N N 133
974
+ U "C3'" "H3'" sing N N 134
975
+ U "O3'" "HO3'" sing N N 135
976
+ U "C2'" "O2'" sing N N 136
977
+ U "C2'" "C1'" sing N N 137
978
+ U "C2'" "H2'" sing N N 138
979
+ U "O2'" "HO2'" sing N N 139
980
+ U "C1'" N1 sing N N 140
981
+ U "C1'" "H1'" sing N N 141
982
+ U N1 C2 sing N N 142
983
+ U N1 C6 sing N N 143
984
+ U C2 O2 doub N N 144
985
+ U C2 N3 sing N N 145
986
+ U N3 C4 sing N N 146
987
+ U N3 H3 sing N N 147
988
+ U C4 O4 doub N N 148
989
+ U C4 C5 sing N N 149
990
+ U C5 C6 doub N N 150
991
+ U C5 H5 sing N N 151
992
+ U C6 H6 sing N N 152
993
+ #
994
+ loop_
995
+ _ndb_struct_conf_na.entry_id
996
+ _ndb_struct_conf_na.feature
997
+ 387D 'double helix'
998
+ 387D 'hairpin loop'
999
+ 387D 'mismatched base pair'
1000
+ #
1001
+ loop_
1002
+ _ndb_struct_na_base_pair.model_number
1003
+ _ndb_struct_na_base_pair.i_label_asym_id
1004
+ _ndb_struct_na_base_pair.i_label_comp_id
1005
+ _ndb_struct_na_base_pair.i_label_seq_id
1006
+ _ndb_struct_na_base_pair.i_symmetry
1007
+ _ndb_struct_na_base_pair.j_label_asym_id
1008
+ _ndb_struct_na_base_pair.j_label_comp_id
1009
+ _ndb_struct_na_base_pair.j_label_seq_id
1010
+ _ndb_struct_na_base_pair.j_symmetry
1011
+ _ndb_struct_na_base_pair.shear
1012
+ _ndb_struct_na_base_pair.stretch
1013
+ _ndb_struct_na_base_pair.stagger
1014
+ _ndb_struct_na_base_pair.buckle
1015
+ _ndb_struct_na_base_pair.propeller
1016
+ _ndb_struct_na_base_pair.opening
1017
+ _ndb_struct_na_base_pair.pair_number
1018
+ _ndb_struct_na_base_pair.pair_name
1019
+ _ndb_struct_na_base_pair.i_auth_asym_id
1020
+ _ndb_struct_na_base_pair.i_auth_seq_id
1021
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1022
+ _ndb_struct_na_base_pair.j_auth_asym_id
1023
+ _ndb_struct_na_base_pair.j_auth_seq_id
1024
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1025
+ _ndb_struct_na_base_pair.hbond_type_28
1026
+ _ndb_struct_na_base_pair.hbond_type_12
1027
+ 1 A U 1 1_555 A A 18 1_555 -0.481 0.090 1.105 -0.358 -5.449 14.074 1 A_U1:A18_A A 1 ? A 18 ? ? ?
1028
+ 1 A C 2 1_555 A G 15 1_555 0.361 -0.492 0.607 -7.221 -25.282 -1.335 2 A_C2:G15_A A 2 ? A 15 ? 19 1
1029
+ 1 A C 3 1_555 A G 14 1_555 -0.074 -0.276 0.848 -34.730 1.885 -3.427 3 A_C3:G14_A A 3 ? A 14 ? 19 1
1030
+ 1 A G 4 1_555 A C 13 1_555 0.088 -0.206 0.656 18.089 -4.598 -3.478 4 A_G4:C13_A A 4 ? A 13 ? 19 1
1031
+ 1 A A 5 1_555 A A 12 1_555 1.976 0.901 0.338 -15.670 29.727 -173.849 5 A_A5:A12_A A 5 ? A 12 ? ? ?
1032
+ #
1033
+ loop_
1034
+ _ndb_struct_na_base_pair_step.model_number
1035
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1036
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1037
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1038
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1039
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1040
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1041
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1042
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1043
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1044
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1045
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1046
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1047
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1048
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1049
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1050
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1051
+ _ndb_struct_na_base_pair_step.shift
1052
+ _ndb_struct_na_base_pair_step.slide
1053
+ _ndb_struct_na_base_pair_step.rise
1054
+ _ndb_struct_na_base_pair_step.tilt
1055
+ _ndb_struct_na_base_pair_step.roll
1056
+ _ndb_struct_na_base_pair_step.twist
1057
+ _ndb_struct_na_base_pair_step.x_displacement
1058
+ _ndb_struct_na_base_pair_step.y_displacement
1059
+ _ndb_struct_na_base_pair_step.helical_rise
1060
+ _ndb_struct_na_base_pair_step.inclination
1061
+ _ndb_struct_na_base_pair_step.tip
1062
+ _ndb_struct_na_base_pair_step.helical_twist
1063
+ _ndb_struct_na_base_pair_step.step_number
1064
+ _ndb_struct_na_base_pair_step.step_name
1065
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1066
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1067
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1068
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1069
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1070
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1071
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1072
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1073
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1074
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1075
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1076
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1077
+ 1 A U 1 1_555 A A 18 1_555 A C 2 1_555 A G 15 1_555 0.952 -1.509 2.947 4.803 3.993 55.940 -1.803 -0.765 2.908 4.242
1078
+ -5.102 56.260 1 AA_U1C2:G15A18_AA A 1 ? A 18 ? A 2 ? A 15 ?
1079
+ 1 A C 2 1_555 A G 15 1_555 A C 3 1_555 A G 14 1_555 0.769 -0.765 3.865 1.490 8.774 41.308 -2.111 -0.890 3.660 12.266
1080
+ -2.083 42.214 2 AA_C2C3:G14G15_AA A 2 ? A 15 ? A 3 ? A 14 ?
1081
+ 1 A C 3 1_555 A G 14 1_555 A G 4 1_555 A C 13 1_555 -1.316 -1.218 1.786 -0.369 0.341 23.813 -3.012 3.123 1.789 0.826 0.895
1082
+ 23.818 3 AA_C3G4:C13G14_AA A 3 ? A 14 ? A 4 ? A 13 ?
1083
+ 1 A G 4 1_555 A C 13 1_555 A A 5 1_555 A A 12 1_555 3.343 -0.926 0.351 -88.931 -144.899 -133.633 0.555 1.616 0.699 72.792
1084
+ -44.675 -176.073 4 AA_G4A5:A12C13_AA A 4 ? A 13 ? A 5 ? A 12 ?
1085
+ #
1086
+ _atom_sites.entry_id 387D
1087
+ _atom_sites.fract_transf_matrix[1][1] 0.016234
1088
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
1089
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
1090
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1091
+ _atom_sites.fract_transf_matrix[2][2] 0.016234
1092
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1093
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1094
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1095
+ _atom_sites.fract_transf_matrix[3][3] 0.010111
1096
+ _atom_sites.fract_transf_vector[1] 0.00000
1097
+ _atom_sites.fract_transf_vector[2] 0.00000
1098
+ _atom_sites.fract_transf_vector[3] 0.00000
1099
+ #
1100
+ loop_
1101
+ _atom_type.symbol
1102
+ C
1103
+ N
1104
+ O
1105
+ P
1106
+ #
1107
+ loop_
1108
+ _atom_site.group_PDB
1109
+ _atom_site.id
1110
+ _atom_site.type_symbol
1111
+ _atom_site.label_atom_id
1112
+ _atom_site.label_alt_id
1113
+ _atom_site.label_comp_id
1114
+ _atom_site.label_asym_id
1115
+ _atom_site.label_entity_id
1116
+ _atom_site.label_seq_id
1117
+ _atom_site.pdbx_PDB_ins_code
1118
+ _atom_site.Cartn_x
1119
+ _atom_site.Cartn_y
1120
+ _atom_site.Cartn_z
1121
+ _atom_site.occupancy
1122
+ _atom_site.B_iso_or_equiv
1123
+ _atom_site.pdbx_formal_charge
1124
+ _atom_site.auth_seq_id
1125
+ _atom_site.auth_comp_id
1126
+ _atom_site.auth_asym_id
1127
+ _atom_site.auth_atom_id
1128
+ _atom_site.pdbx_PDB_model_num
1129
+ ATOM 1 O "O5'" . U A 1 1 ? 42.484 37.760 79.717 1.00 35.50 ? 1 U A "O5'" 1
1130
+ ATOM 2 C "C5'" . U A 1 1 ? 43.047 36.558 80.259 1.00 29.91 ? 1 U A "C5'" 1
1131
+ ATOM 3 C "C4'" . U A 1 1 ? 44.149 36.067 79.351 1.00 30.98 ? 1 U A "C4'" 1
1132
+ ATOM 4 O "O4'" . U A 1 1 ? 43.851 34.703 78.982 1.00 31.82 ? 1 U A "O4'" 1
1133
+ ATOM 5 C "C3'" . U A 1 1 ? 44.293 36.827 78.036 1.00 25.41 ? 1 U A "C3'" 1
1134
+ ATOM 6 O "O3'" . U A 1 1 ? 45.277 37.840 78.097 1.00 29.68 ? 1 U A "O3'" 1
1135
+ ATOM 7 C "C2'" . U A 1 1 ? 44.741 35.754 77.073 1.00 28.37 ? 1 U A "C2'" 1
1136
+ ATOM 8 O "O2'" . U A 1 1 ? 46.131 35.503 77.159 1.00 32.84 ? 1 U A "O2'" 1
1137
+ ATOM 9 C "C1'" . U A 1 1 ? 43.940 34.565 77.585 1.00 26.42 ? 1 U A "C1'" 1
1138
+ ATOM 10 N N1 . U A 1 1 ? 42.574 34.645 77.073 1.00 25.99 ? 1 U A N1 1
1139
+ ATOM 11 C C2 . U A 1 1 ? 42.412 34.577 75.733 1.00 28.84 ? 1 U A C2 1
1140
+ ATOM 12 O O2 . U A 1 1 ? 43.347 34.486 74.980 1.00 44.35 ? 1 U A O2 1
1141
+ ATOM 13 N N3 . U A 1 1 ? 41.118 34.614 75.299 1.00 27.88 ? 1 U A N3 1
1142
+ ATOM 14 C C4 . U A 1 1 ? 39.998 34.728 76.075 1.00 32.10 ? 1 U A C4 1
1143
+ ATOM 15 O O4 . U A 1 1 ? 38.883 34.726 75.545 1.00 35.42 ? 1 U A O4 1
1144
+ ATOM 16 C C5 . U A 1 1 ? 40.259 34.820 77.468 1.00 33.25 ? 1 U A C5 1
1145
+ ATOM 17 C C6 . U A 1 1 ? 41.507 34.778 77.907 1.00 30.73 ? 1 U A C6 1
1146
+ ATOM 18 P P . C A 1 2 ? 45.096 39.159 77.200 1.00 43.76 ? 2 C A P 1
1147
+ ATOM 19 O OP1 . C A 1 2 ? 46.397 39.916 77.210 1.00 31.22 ? 2 C A OP1 1
1148
+ ATOM 20 O OP2 . C A 1 2 ? 43.812 39.847 77.629 1.00 28.72 ? 2 C A OP2 1
1149
+ ATOM 21 O "O5'" . C A 1 2 ? 44.916 38.574 75.727 1.00 47.96 ? 2 C A "O5'" 1
1150
+ ATOM 22 C "C5'" . C A 1 2 ? 46.053 38.051 75.003 1.00 44.14 ? 2 C A "C5'" 1
1151
+ ATOM 23 C "C4'" . C A 1 2 ? 45.674 37.746 73.577 1.00 34.22 ? 2 C A "C4'" 1
1152
+ ATOM 24 O "O4'" . C A 1 2 ? 44.719 36.671 73.559 1.00 39.01 ? 2 C A "O4'" 1
1153
+ ATOM 25 C "C3'" . C A 1 2 ? 44.981 38.875 72.862 1.00 28.14 ? 2 C A "C3'" 1
1154
+ ATOM 26 O "O3'" . C A 1 2 ? 45.957 39.707 72.318 1.00 27.20 ? 2 C A "O3'" 1
1155
+ ATOM 27 C "C2'" . C A 1 2 ? 44.148 38.163 71.809 1.00 29.16 ? 2 C A "C2'" 1
1156
+ ATOM 28 O "O2'" . C A 1 2 ? 44.868 37.752 70.673 1.00 31.54 ? 2 C A "O2'" 1
1157
+ ATOM 29 C "C1'" . C A 1 2 ? 43.768 36.890 72.545 1.00 30.60 ? 2 C A "C1'" 1
1158
+ ATOM 30 N N1 . C A 1 2 ? 42.476 37.043 73.176 1.00 26.98 ? 2 C A N1 1
1159
+ ATOM 31 C C2 . C A 1 2 ? 41.367 36.867 72.405 1.00 32.50 ? 2 C A C2 1
1160
+ ATOM 32 O O2 . C A 1 2 ? 41.532 36.480 71.237 1.00 49.26 ? 2 C A O2 1
1161
+ ATOM 33 N N3 . C A 1 2 ? 40.143 37.102 72.932 1.00 23.55 ? 2 C A N3 1
1162
+ ATOM 34 C C4 . C A 1 2 ? 40.037 37.472 74.205 1.00 25.19 ? 2 C A C4 1
1163
+ ATOM 35 N N4 . C A 1 2 ? 38.833 37.740 74.688 1.00 27.61 ? 2 C A N4 1
1164
+ ATOM 36 C C5 . C A 1 2 ? 41.172 37.595 75.044 1.00 34.98 ? 2 C A C5 1
1165
+ ATOM 37 C C6 . C A 1 2 ? 42.365 37.378 74.491 1.00 32.02 ? 2 C A C6 1
1166
+ ATOM 38 P P . C A 1 3 ? 45.615 41.247 72.094 1.00 29.33 ? 3 C A P 1
1167
+ ATOM 39 O OP1 . C A 1 3 ? 46.896 41.764 71.567 1.00 18.17 ? 3 C A OP1 1
1168
+ ATOM 40 O OP2 . C A 1 3 ? 45.016 41.853 73.311 1.00 28.74 ? 3 C A OP2 1
1169
+ ATOM 41 O "O5'" . C A 1 3 ? 44.464 41.201 70.982 1.00 29.64 ? 3 C A "O5'" 1
1170
+ ATOM 42 C "C5'" . C A 1 3 ? 44.770 40.723 69.660 1.00 28.20 ? 3 C A "C5'" 1
1171
+ ATOM 43 C "C4'" . C A 1 3 ? 43.535 40.633 68.807 1.00 21.20 ? 3 C A "C4'" 1
1172
+ ATOM 44 O "O4'" . C A 1 3 ? 42.645 39.625 69.308 1.00 21.91 ? 3 C A "O4'" 1
1173
+ ATOM 45 C "C3'" . C A 1 3 ? 42.720 41.892 68.753 1.00 19.37 ? 3 C A "C3'" 1
1174
+ ATOM 46 O "O3'" . C A 1 3 ? 43.220 42.693 67.740 1.00 23.80 ? 3 C A "O3'" 1
1175
+ ATOM 47 C "C2'" . C A 1 3 ? 41.324 41.396 68.434 1.00 22.76 ? 3 C A "C2'" 1
1176
+ ATOM 48 O "O2'" . C A 1 3 ? 41.072 41.150 67.082 1.00 22.09 ? 3 C A "O2'" 1
1177
+ ATOM 49 C "C1'" . C A 1 3 ? 41.316 40.058 69.149 1.00 26.99 ? 3 C A "C1'" 1
1178
+ ATOM 50 N N1 . C A 1 3 ? 40.775 40.231 70.478 1.00 36.47 ? 3 C A N1 1
1179
+ ATOM 51 C C2 . C A 1 3 ? 39.410 40.476 70.615 1.00 40.01 ? 3 C A C2 1
1180
+ ATOM 52 O O2 . C A 1 3 ? 38.721 40.605 69.588 1.00 44.10 ? 3 C A O2 1
1181
+ ATOM 53 N N3 . C A 1 3 ? 38.885 40.570 71.846 1.00 38.37 ? 3 C A N3 1
1182
+ ATOM 54 C C4 . C A 1 3 ? 39.678 40.435 72.910 1.00 38.69 ? 3 C A C4 1
1183
+ ATOM 55 N N4 . C A 1 3 ? 39.125 40.493 74.109 1.00 39.43 ? 3 C A N4 1
1184
+ ATOM 56 C C5 . C A 1 3 ? 41.085 40.222 72.790 1.00 41.25 ? 3 C A C5 1
1185
+ ATOM 57 C C6 . C A 1 3 ? 41.587 40.134 71.568 1.00 33.15 ? 3 C A C6 1
1186
+ ATOM 58 P P . G A 1 4 ? 42.967 44.250 67.819 1.00 32.73 ? 4 G A P 1
1187
+ ATOM 59 O OP1 . G A 1 4 ? 43.890 44.908 66.855 1.00 36.45 ? 4 G A OP1 1
1188
+ ATOM 60 O OP2 . G A 1 4 ? 43.062 44.584 69.263 1.00 38.25 ? 4 G A OP2 1
1189
+ ATOM 61 O "O5'" . G A 1 4 ? 41.450 44.363 67.341 1.00 21.56 ? 4 G A "O5'" 1
1190
+ ATOM 62 C "C5'" . G A 1 4 ? 41.007 43.638 66.194 1.00 13.09 ? 4 G A "C5'" 1
1191
+ ATOM 63 C "C4'" . G A 1 4 ? 39.524 43.827 65.983 1.00 10.49 ? 4 G A "C4'" 1
1192
+ ATOM 64 O "O4'" . G A 1 4 ? 38.755 42.933 66.803 1.00 6.17 ? 4 G A "O4'" 1
1193
+ ATOM 65 C "C3'" . G A 1 4 ? 38.988 45.217 66.245 1.00 8.11 ? 4 G A "C3'" 1
1194
+ ATOM 66 O "O3'" . G A 1 4 ? 39.128 45.894 65.035 1.00 16.32 ? 4 G A "O3'" 1
1195
+ ATOM 67 C "C2'" . G A 1 4 ? 37.517 44.963 66.556 1.00 17.12 ? 4 G A "C2'" 1
1196
+ ATOM 68 O "O2'" . G A 1 4 ? 36.667 44.893 65.421 1.00 18.89 ? 4 G A "O2'" 1
1197
+ ATOM 69 C "C1'" . G A 1 4 ? 37.568 43.584 67.212 1.00 16.26 ? 4 G A "C1'" 1
1198
+ ATOM 70 N N9 . G A 1 4 ? 37.591 43.602 68.664 1.00 20.43 ? 4 G A N9 1
1199
+ ATOM 71 C C8 . G A 1 4 ? 38.670 43.863 69.464 1.00 20.03 ? 4 G A C8 1
1200
+ ATOM 72 N N7 . G A 1 4 ? 38.432 43.645 70.721 1.00 23.81 ? 4 G A N7 1
1201
+ ATOM 73 C C5 . G A 1 4 ? 37.105 43.252 70.750 1.00 26.54 ? 4 G A C5 1
1202
+ ATOM 74 C C6 . G A 1 4 ? 36.292 42.851 71.838 1.00 34.79 ? 4 G A C6 1
1203
+ ATOM 75 O O6 . G A 1 4 ? 36.601 42.754 73.035 1.00 37.07 ? 4 G A O6 1
1204
+ ATOM 76 N N1 . G A 1 4 ? 35.003 42.542 71.421 1.00 31.51 ? 4 G A N1 1
1205
+ ATOM 77 C C2 . G A 1 4 ? 34.569 42.610 70.124 1.00 29.69 ? 4 G A C2 1
1206
+ ATOM 78 N N2 . G A 1 4 ? 33.303 42.288 69.915 1.00 36.23 ? 4 G A N2 1
1207
+ ATOM 79 N N3 . G A 1 4 ? 35.320 42.971 69.106 1.00 20.11 ? 4 G A N3 1
1208
+ ATOM 80 C C4 . G A 1 4 ? 36.565 43.271 69.489 1.00 18.39 ? 4 G A C4 1
1209
+ ATOM 81 P P . A A 1 5 ? 38.865 47.457 64.960 1.00 24.48 ? 5 A A P 1
1210
+ ATOM 82 O OP1 . A A 1 5 ? 37.372 47.659 65.020 1.00 12.98 ? 5 A A OP1 1
1211
+ ATOM 83 O OP2 . A A 1 5 ? 39.601 47.964 63.789 1.00 34.57 ? 5 A A OP2 1
1212
+ ATOM 84 O "O5'" . A A 1 5 ? 39.684 47.997 66.207 1.00 23.35 ? 5 A A "O5'" 1
1213
+ ATOM 85 C "C5'" . A A 1 5 ? 40.383 49.260 66.115 1.00 26.90 ? 5 A A "C5'" 1
1214
+ ATOM 86 C "C4'" . A A 1 5 ? 40.844 49.678 67.475 1.00 22.16 ? 5 A A "C4'" 1
1215
+ ATOM 87 O "O4'" . A A 1 5 ? 39.674 49.744 68.336 1.00 23.68 ? 5 A A "O4'" 1
1216
+ ATOM 88 C "C3'" . A A 1 5 ? 41.757 48.620 68.049 1.00 18.27 ? 5 A A "C3'" 1
1217
+ ATOM 89 O "O3'" . A A 1 5 ? 42.573 49.230 69.010 1.00 24.25 ? 5 A A "O3'" 1
1218
+ ATOM 90 C "C2'" . A A 1 5 ? 40.800 47.727 68.805 1.00 27.71 ? 5 A A "C2'" 1
1219
+ ATOM 91 O "O2'" . A A 1 5 ? 41.500 47.106 69.862 1.00 39.25 ? 5 A A "O2'" 1
1220
+ ATOM 92 C "C1'" . A A 1 5 ? 39.767 48.742 69.317 1.00 27.41 ? 5 A A "C1'" 1
1221
+ ATOM 93 N N9 . A A 1 5 ? 38.452 48.143 69.481 1.00 21.46 ? 5 A A N9 1
1222
+ ATOM 94 C C8 . A A 1 5 ? 37.483 48.020 68.545 1.00 27.37 ? 5 A A C8 1
1223
+ ATOM 95 N N7 . A A 1 5 ? 36.461 47.297 68.931 1.00 34.03 ? 5 A A N7 1
1224
+ ATOM 96 C C5 . A A 1 5 ? 36.773 46.948 70.230 1.00 29.77 ? 5 A A C5 1
1225
+ ATOM 97 C C6 . A A 1 5 ? 36.108 46.158 71.187 1.00 26.09 ? 5 A A C6 1
1226
+ ATOM 98 N N6 . A A 1 5 ? 34.990 45.481 70.953 1.00 20.80 ? 5 A A N6 1
1227
+ ATOM 99 N N1 . A A 1 5 ? 36.664 46.062 72.406 1.00 28.10 ? 5 A A N1 1
1228
+ ATOM 100 C C2 . A A 1 5 ? 37.829 46.680 72.627 1.00 33.28 ? 5 A A C2 1
1229
+ ATOM 101 N N3 . A A 1 5 ? 38.569 47.413 71.797 1.00 30.52 ? 5 A A N3 1
1230
+ ATOM 102 C C4 . A A 1 5 ? 37.975 47.509 70.600 1.00 27.58 ? 5 A A C4 1
1231
+ ATOM 103 P P . A A 1 6 ? 43.933 49.903 68.570 1.00 37.00 ? 6 A A P 1
1232
+ ATOM 104 O OP1 . A A 1 6 ? 44.494 49.065 67.494 1.00 42.16 ? 6 A A OP1 1
1233
+ ATOM 105 O OP2 . A A 1 6 ? 44.737 50.189 69.782 1.00 43.78 ? 6 A A OP2 1
1234
+ ATOM 106 O "O5'" . A A 1 6 ? 43.466 51.264 67.928 1.00 23.59 ? 6 A A "O5'" 1
1235
+ ATOM 107 C "C5'" . A A 1 6 ? 43.197 52.378 68.742 1.00 19.66 ? 6 A A "C5'" 1
1236
+ ATOM 108 C "C4'" . A A 1 6 ? 42.095 53.149 68.128 1.00 19.57 ? 6 A A "C4'" 1
1237
+ ATOM 109 O "O4'" . A A 1 6 ? 40.887 52.343 68.160 1.00 27.68 ? 6 A A "O4'" 1
1238
+ ATOM 110 C "C3'" . A A 1 6 ? 41.776 54.462 68.789 1.00 21.61 ? 6 A A "C3'" 1
1239
+ ATOM 111 O "O3'" . A A 1 6 ? 41.480 55.360 67.762 1.00 25.33 ? 6 A A "O3'" 1
1240
+ ATOM 112 C "C2'" . A A 1 6 ? 40.514 54.164 69.585 1.00 31.03 ? 6 A A "C2'" 1
1241
+ ATOM 113 O "O2'" . A A 1 6 ? 39.688 55.297 69.634 1.00 41.74 ? 6 A A "O2'" 1
1242
+ ATOM 114 C "C1'" . A A 1 6 ? 39.835 53.076 68.753 1.00 31.91 ? 6 A A "C1'" 1
1243
+ ATOM 115 N N9 . A A 1 6 ? 39.059 52.166 69.597 1.00 36.40 ? 6 A A N9 1
1244
+ ATOM 116 C C8 . A A 1 6 ? 39.433 51.680 70.821 1.00 46.95 ? 6 A A C8 1
1245
+ ATOM 117 N N7 . A A 1 6 ? 38.566 50.850 71.351 1.00 45.70 ? 6 A A N7 1
1246
+ ATOM 118 C C5 . A A 1 6 ? 37.555 50.789 70.411 1.00 35.51 ? 6 A A C5 1
1247
+ ATOM 119 C C6 . A A 1 6 ? 36.356 50.083 70.383 1.00 34.30 ? 6 A A C6 1
1248
+ ATOM 120 N N6 . A A 1 6 ? 35.972 49.253 71.342 1.00 43.60 ? 6 A A N6 1
1249
+ ATOM 121 N N1 . A A 1 6 ? 35.551 50.256 69.329 1.00 26.01 ? 6 A A N1 1
1250
+ ATOM 122 C C2 . A A 1 6 ? 35.942 51.089 68.373 1.00 38.69 ? 6 A A C2 1
1251
+ ATOM 123 N N3 . A A 1 6 ? 37.060 51.812 68.278 1.00 40.48 ? 6 A A N3 1
1252
+ ATOM 124 C C4 . A A 1 6 ? 37.834 51.610 69.339 1.00 33.52 ? 6 A A C4 1
1253
+ ATOM 125 P P . G A 1 7 ? 42.596 56.386 67.291 1.00 37.06 ? 7 G A P 1
1254
+ ATOM 126 O OP1 . G A 1 7 ? 41.927 57.404 66.431 1.00 35.78 ? 7 G A OP1 1
1255
+ ATOM 127 O OP2 . G A 1 7 ? 43.759 55.637 66.769 1.00 36.15 ? 7 G A OP2 1
1256
+ ATOM 128 O "O5'" . G A 1 7 ? 43.037 57.040 68.664 1.00 37.43 ? 7 G A "O5'" 1
1257
+ ATOM 129 C "C5'" . G A 1 7 ? 44.196 57.842 68.726 1.00 37.30 ? 7 G A "C5'" 1
1258
+ ATOM 130 C "C4'" . G A 1 7 ? 44.403 58.343 70.126 1.00 35.96 ? 7 G A "C4'" 1
1259
+ ATOM 131 O "O4'" . G A 1 7 ? 43.472 59.400 70.441 1.00 37.72 ? 7 G A "O4'" 1
1260
+ ATOM 132 C "C3'" . G A 1 7 ? 44.176 57.337 71.222 1.00 32.37 ? 7 G A "C3'" 1
1261
+ ATOM 133 O "O3'" . G A 1 7 ? 45.298 56.519 71.372 1.00 34.39 ? 7 G A "O3'" 1
1262
+ ATOM 134 C "C2'" . G A 1 7 ? 43.952 58.216 72.450 1.00 34.40 ? 7 G A "C2'" 1
1263
+ ATOM 135 O "O2'" . G A 1 7 ? 45.147 58.609 73.090 1.00 38.29 ? 7 G A "O2'" 1
1264
+ ATOM 136 C "C1'" . G A 1 7 ? 43.301 59.452 71.838 1.00 34.44 ? 7 G A "C1'" 1
1265
+ ATOM 137 N N9 . G A 1 7 ? 41.885 59.555 72.156 1.00 39.88 ? 7 G A N9 1
1266
+ ATOM 138 C C8 . G A 1 7 ? 40.790 59.495 71.317 1.00 41.06 ? 7 G A C8 1
1267
+ ATOM 139 N N7 . G A 1 7 ? 39.659 59.632 71.949 1.00 39.69 ? 7 G A N7 1
1268
+ ATOM 140 C C5 . G A 1 7 ? 40.037 59.787 73.278 1.00 45.53 ? 7 G A C5 1
1269
+ ATOM 141 C C6 . G A 1 7 ? 39.262 59.971 74.435 1.00 50.23 ? 7 G A C6 1
1270
+ ATOM 142 O O6 . G A 1 7 ? 38.035 60.029 74.527 1.00 60.97 ? 7 G A O6 1
1271
+ ATOM 143 N N1 . G A 1 7 ? 40.057 60.086 75.576 1.00 46.42 ? 7 G A N1 1
1272
+ ATOM 144 C C2 . G A 1 7 ? 41.428 60.017 75.595 1.00 48.73 ? 7 G A C2 1
1273
+ ATOM 145 N N2 . G A 1 7 ? 42.037 60.131 76.799 1.00 53.88 ? 7 G A N2 1
1274
+ ATOM 146 N N3 . G A 1 7 ? 42.160 59.843 74.519 1.00 48.46 ? 7 G A N3 1
1275
+ ATOM 147 C C4 . G A 1 7 ? 41.406 59.737 73.407 1.00 44.74 ? 7 G A C4 1
1276
+ ATOM 148 P P . U A 1 8 ? 45.139 55.145 72.156 1.00 43.60 ? 8 U A P 1
1277
+ ATOM 149 O OP1 . U A 1 8 ? 46.391 54.391 71.957 1.00 54.33 ? 8 U A OP1 1
1278
+ ATOM 150 O OP2 . U A 1 8 ? 43.845 54.550 71.719 1.00 44.64 ? 8 U A OP2 1
1279
+ ATOM 151 O "O5'" . U A 1 8 ? 45.019 55.596 73.681 1.00 41.48 ? 8 U A "O5'" 1
1280
+ ATOM 152 C "C5'" . U A 1 8 ? 46.168 56.060 74.420 1.00 38.06 ? 8 U A "C5'" 1
1281
+ ATOM 153 C "C4'" . U A 1 8 ? 45.766 56.381 75.838 1.00 43.72 ? 8 U A "C4'" 1
1282
+ ATOM 154 O "O4'" . U A 1 8 ? 44.778 57.439 75.790 1.00 49.62 ? 8 U A "O4'" 1
1283
+ ATOM 155 C "C3'" . U A 1 8 ? 45.057 55.257 76.573 1.00 52.58 ? 8 U A "C3'" 1
1284
+ ATOM 156 O "O3'" . U A 1 8 ? 45.929 54.339 77.202 1.00 58.08 ? 8 U A "O3'" 1
1285
+ ATOM 157 C "C2'" . U A 1 8 ? 44.172 55.980 77.577 1.00 50.12 ? 8 U A "C2'" 1
1286
+ ATOM 158 O "O2'" . U A 1 8 ? 44.815 56.328 78.781 1.00 53.70 ? 8 U A "O2'" 1
1287
+ ATOM 159 C "C1'" . U A 1 8 ? 43.800 57.236 76.799 1.00 47.94 ? 8 U A "C1'" 1
1288
+ ATOM 160 N N1 . U A 1 8 ? 42.496 57.088 76.149 1.00 38.52 ? 8 U A N1 1
1289
+ ATOM 161 C C2 . U A 1 8 ? 41.372 57.143 76.954 1.00 32.82 ? 8 U A C2 1
1290
+ ATOM 162 O O2 . U A 1 8 ? 41.440 57.306 78.155 1.00 33.55 ? 8 U A O2 1
1291
+ ATOM 163 N N3 . U A 1 8 ? 40.173 57.005 76.295 1.00 30.68 ? 8 U A N3 1
1292
+ ATOM 164 C C4 . U A 1 8 ? 39.998 56.818 74.930 1.00 41.74 ? 8 U A C4 1
1293
+ ATOM 165 O O4 . U A 1 8 ? 38.862 56.665 74.470 1.00 41.47 ? 8 U A O4 1
1294
+ ATOM 166 C C5 . U A 1 8 ? 41.220 56.774 74.175 1.00 47.32 ? 8 U A C5 1
1295
+ ATOM 167 C C6 . U A 1 8 ? 42.394 56.904 74.796 1.00 38.76 ? 8 U A C6 1
1296
+ ATOM 168 P P . G A 1 9 ? 45.433 52.822 77.441 1.00 57.43 ? 9 G A P 1
1297
+ ATOM 169 O OP1 . G A 1 9 ? 46.653 52.175 78.003 1.00 62.23 ? 9 G A OP1 1
1298
+ ATOM 170 O OP2 . G A 1 9 ? 44.821 52.277 76.210 1.00 61.94 ? 9 G A OP2 1
1299
+ ATOM 171 O "O5'" . G A 1 9 ? 44.269 52.944 78.533 1.00 48.03 ? 9 G A "O5'" 1
1300
+ ATOM 172 C "C5'" . G A 1 9 ? 44.598 53.376 79.858 1.00 52.88 ? 9 G A "C5'" 1
1301
+ ATOM 173 C "C4'" . G A 1 9 ? 43.371 53.543 80.710 1.00 45.55 ? 9 G A "C4'" 1
1302
+ ATOM 174 O "O4'" . G A 1 9 ? 42.544 54.597 80.192 1.00 42.30 ? 9 G A "O4'" 1
1303
+ ATOM 175 C "C3'" . G A 1 9 ? 42.438 52.365 80.847 1.00 45.71 ? 9 G A "C3'" 1
1304
+ ATOM 176 O "O3'" . G A 1 9 ? 42.891 51.473 81.836 1.00 49.36 ? 9 G A "O3'" 1
1305
+ ATOM 177 C "C2'" . G A 1 9 ? 41.151 53.023 81.306 1.00 45.83 ? 9 G A "C2'" 1
1306
+ ATOM 178 O "O2'" . G A 1 9 ? 41.174 53.270 82.694 1.00 43.94 ? 9 G A "O2'" 1
1307
+ ATOM 179 C "C1'" . G A 1 9 ? 41.203 54.352 80.558 1.00 47.98 ? 9 G A "C1'" 1
1308
+ ATOM 180 N N9 . G A 1 9 ? 40.396 54.313 79.350 1.00 50.09 ? 9 G A N9 1
1309
+ ATOM 181 C C8 . G A 1 9 ? 40.828 54.093 78.069 1.00 53.50 ? 9 G A C8 1
1310
+ ATOM 182 N N7 . G A 1 9 ? 39.857 54.093 77.200 1.00 53.41 ? 9 G A N7 1
1311
+ ATOM 183 C C5 . G A 1 9 ? 38.722 54.326 77.956 1.00 49.18 ? 9 G A C5 1
1312
+ ATOM 184 C C6 . G A 1 9 ? 37.376 54.418 77.565 1.00 53.02 ? 9 G A C6 1
1313
+ ATOM 185 O O6 . G A 1 9 ? 36.893 54.276 76.433 1.00 57.79 ? 9 G A O6 1
1314
+ ATOM 186 N N1 . G A 1 9 ? 36.551 54.693 78.645 1.00 49.11 ? 9 G A N1 1
1315
+ ATOM 187 C C2 . G A 1 9 ? 36.980 54.840 79.935 1.00 53.04 ? 9 G A C2 1
1316
+ ATOM 188 N N2 . G A 1 9 ? 36.048 55.126 80.833 1.00 61.19 ? 9 G A N2 1
1317
+ ATOM 189 N N3 . G A 1 9 ? 38.232 54.723 80.317 1.00 48.59 ? 9 G A N3 1
1318
+ ATOM 190 C C4 . G A 1 9 ? 39.043 54.474 79.282 1.00 46.61 ? 9 G A C4 1
1319
+ ATOM 191 P P . C A 1 10 ? 42.574 49.914 81.675 1.00 52.65 ? 10 C A P 1
1320
+ ATOM 192 O OP1 . C A 1 10 ? 43.561 49.236 82.555 1.00 51.56 ? 10 C A OP1 1
1321
+ ATOM 193 O OP2 . C A 1 10 ? 42.563 49.629 80.209 1.00 52.67 ? 10 C A OP2 1
1322
+ ATOM 194 O "O5'" . C A 1 10 ? 41.098 49.741 82.259 1.00 30.32 ? 10 C A "O5'" 1
1323
+ ATOM 195 C "C5'" . C A 1 10 ? 40.822 50.179 83.577 1.00 26.99 ? 10 C A "C5'" 1
1324
+ ATOM 196 C "C4'" . C A 1 10 ? 39.369 50.511 83.737 1.00 34.16 ? 10 C A "C4'" 1
1325
+ ATOM 197 O "O4'" . C A 1 10 ? 38.972 51.627 82.904 1.00 44.56 ? 10 C A "O4'" 1
1326
+ ATOM 198 C "C3'" . C A 1 10 ? 38.407 49.432 83.339 1.00 32.31 ? 10 C A "C3'" 1
1327
+ ATOM 199 O "O3'" . C A 1 10 ? 38.259 48.482 84.336 1.00 43.60 ? 10 C A "O3'" 1
1328
+ ATOM 200 C "C2'" . C A 1 10 ? 37.108 50.185 83.190 1.00 32.56 ? 10 C A "C2'" 1
1329
+ ATOM 201 O "O2'" . C A 1 10 ? 36.471 50.301 84.439 1.00 31.92 ? 10 C A "O2'" 1
1330
+ ATOM 202 C "C1'" . C A 1 10 ? 37.581 51.527 82.630 1.00 43.43 ? 10 C A "C1'" 1
1331
+ ATOM 203 N N1 . C A 1 10 ? 37.382 51.491 81.176 1.00 49.56 ? 10 C A N1 1
1332
+ ATOM 204 C C2 . C A 1 10 ? 36.065 51.477 80.675 1.00 47.42 ? 10 C A C2 1
1333
+ ATOM 205 O O2 . C A 1 10 ? 35.124 51.667 81.459 1.00 42.76 ? 10 C A O2 1
1334
+ ATOM 206 N N3 . C A 1 10 ? 35.862 51.265 79.354 1.00 47.03 ? 10 C A N3 1
1335
+ ATOM 207 C C4 . C A 1 10 ? 36.908 51.095 78.547 1.00 54.16 ? 10 C A C4 1
1336
+ ATOM 208 N N4 . C A 1 10 ? 36.676 50.782 77.272 1.00 58.64 ? 10 C A N4 1
1337
+ ATOM 209 C C5 . C A 1 10 ? 38.253 51.211 79.015 1.00 57.86 ? 10 C A C5 1
1338
+ ATOM 210 C C6 . C A 1 10 ? 38.443 51.409 80.327 1.00 53.09 ? 10 C A C6 1
1339
+ ATOM 211 P P . A A 1 11 ? 38.031 46.963 83.906 1.00 61.27 ? 11 A A P 1
1340
+ ATOM 212 O OP1 . A A 1 11 ? 37.931 46.221 85.186 1.00 73.92 ? 11 A A OP1 1
1341
+ ATOM 213 O OP2 . A A 1 11 ? 39.091 46.604 82.910 1.00 60.37 ? 11 A A OP2 1
1342
+ ATOM 214 O "O5'" . A A 1 11 ? 36.585 46.942 83.228 1.00 36.71 ? 11 A A "O5'" 1
1343
+ ATOM 215 C "C5'" . A A 1 11 ? 35.441 47.162 84.036 1.00 18.24 ? 11 A A "C5'" 1
1344
+ ATOM 216 C "C4'" . A A 1 11 ? 34.204 47.303 83.204 1.00 19.33 ? 11 A A "C4'" 1
1345
+ ATOM 217 O "O4'" . A A 1 11 ? 34.325 48.414 82.292 1.00 26.45 ? 11 A A "O4'" 1
1346
+ ATOM 218 C "C3'" . A A 1 11 ? 33.732 46.165 82.318 1.00 20.21 ? 11 A A "C3'" 1
1347
+ ATOM 219 O "O3'" . A A 1 11 ? 33.063 45.171 83.069 1.00 37.51 ? 11 A A "O3'" 1
1348
+ ATOM 220 C "C2'" . A A 1 11 ? 32.722 46.884 81.424 1.00 22.27 ? 11 A A "C2'" 1
1349
+ ATOM 221 O "O2'" . A A 1 11 ? 31.440 47.048 81.998 1.00 8.16 ? 11 A A "O2'" 1
1350
+ ATOM 222 C "C1'" . A A 1 11 ? 33.366 48.262 81.253 1.00 31.53 ? 11 A A "C1'" 1
1351
+ ATOM 223 N N9 . A A 1 11 ? 34.015 48.329 79.940 1.00 42.23 ? 11 A A N9 1
1352
+ ATOM 224 C C8 . A A 1 11 ? 35.319 48.093 79.558 1.00 40.85 ? 11 A A C8 1
1353
+ ATOM 225 N N7 . A A 1 11 ? 35.497 48.109 78.259 1.00 38.35 ? 11 A A N7 1
1354
+ ATOM 226 C C5 . A A 1 11 ? 34.238 48.404 77.757 1.00 38.66 ? 11 A A C5 1
1355
+ ATOM 227 C C6 . A A 1 11 ? 33.755 48.524 76.459 1.00 46.53 ? 11 A A C6 1
1356
+ ATOM 228 N N6 . A A 1 11 ? 34.513 48.350 75.379 1.00 52.83 ? 11 A A N6 1
1357
+ ATOM 229 N N1 . A A 1 11 ? 32.444 48.825 76.297 1.00 51.68 ? 11 A A N1 1
1358
+ ATOM 230 C C2 . A A 1 11 ? 31.680 48.980 77.388 1.00 49.15 ? 11 A A C2 1
1359
+ ATOM 231 N N3 . A A 1 11 ? 32.021 48.880 78.667 1.00 44.10 ? 11 A A N3 1
1360
+ ATOM 232 C C4 . A A 1 11 ? 33.329 48.580 78.781 1.00 40.86 ? 11 A A C4 1
1361
+ ATOM 233 P P . A A 1 12 ? 32.818 43.714 82.440 1.00 46.92 ? 12 A A P 1
1362
+ ATOM 234 O OP1 . A A 1 12 ? 32.041 42.921 83.432 1.00 51.44 ? 12 A A OP1 1
1363
+ ATOM 235 O OP2 . A A 1 12 ? 34.145 43.210 81.972 1.00 44.83 ? 12 A A OP2 1
1364
+ ATOM 236 O "O5'" . A A 1 12 ? 31.809 43.968 81.233 1.00 21.98 ? 12 A A "O5'" 1
1365
+ ATOM 237 C "C5'" . A A 1 12 ? 30.467 44.282 81.513 1.00 13.00 ? 12 A A "C5'" 1
1366
+ ATOM 238 C "C4'" . A A 1 12 ? 29.675 44.396 80.238 1.00 28.58 ? 12 A A "C4'" 1
1367
+ ATOM 239 O "O4'" . A A 1 12 ? 30.097 45.561 79.492 1.00 38.85 ? 12 A A "O4'" 1
1368
+ ATOM 240 C "C3'" . A A 1 12 ? 29.787 43.252 79.262 1.00 24.64 ? 12 A A "C3'" 1
1369
+ ATOM 241 O "O3'" . A A 1 12 ? 28.858 42.237 79.535 1.00 32.28 ? 12 A A "O3'" 1
1370
+ ATOM 242 C "C2'" . A A 1 12 ? 29.405 43.918 77.959 1.00 28.70 ? 12 A A "C2'" 1
1371
+ ATOM 243 O "O2'" . A A 1 12 ? 27.999 44.091 77.936 1.00 19.09 ? 12 A A "O2'" 1
1372
+ ATOM 244 C "C1'" . A A 1 12 ? 30.084 45.277 78.109 1.00 34.53 ? 12 A A "C1'" 1
1373
+ ATOM 245 N N9 . A A 1 12 ? 31.485 45.286 77.675 1.00 41.17 ? 12 A A N9 1
1374
+ ATOM 246 C C8 . A A 1 12 ? 32.573 45.350 78.512 1.00 47.29 ? 12 A A C8 1
1375
+ ATOM 247 N N7 . A A 1 12 ? 33.728 45.381 77.891 1.00 45.78 ? 12 A A N7 1
1376
+ ATOM 248 C C5 . A A 1 12 ? 33.380 45.325 76.553 1.00 39.63 ? 12 A A C5 1
1377
+ ATOM 249 C C6 . A A 1 12 ? 34.150 45.330 75.402 1.00 36.47 ? 12 A A C6 1
1378
+ ATOM 250 N N6 . A A 1 12 ? 35.473 45.416 75.408 1.00 46.01 ? 12 A A N6 1
1379
+ ATOM 251 N N1 . A A 1 12 ? 33.513 45.251 74.227 1.00 32.52 ? 12 A A N1 1
1380
+ ATOM 252 C C2 . A A 1 12 ? 32.176 45.183 74.227 1.00 38.15 ? 12 A A C2 1
1381
+ ATOM 253 N N3 . A A 1 12 ? 31.331 45.181 75.245 1.00 36.01 ? 12 A A N3 1
1382
+ ATOM 254 C C4 . A A 1 12 ? 32.005 45.255 76.402 1.00 40.32 ? 12 A A C4 1
1383
+ ATOM 255 P P . C A 1 13 ? 29.171 40.763 79.013 1.00 42.75 ? 13 C A P 1
1384
+ ATOM 256 O OP1 . C A 1 13 ? 28.089 39.863 79.462 1.00 38.76 ? 13 C A OP1 1
1385
+ ATOM 257 O OP2 . C A 1 13 ? 30.596 40.479 79.396 1.00 40.38 ? 13 C A OP2 1
1386
+ ATOM 258 O "O5'" . C A 1 13 ? 29.043 40.912 77.435 1.00 46.92 ? 13 C A "O5'" 1
1387
+ ATOM 259 C "C5'" . C A 1 13 ? 27.776 41.250 76.857 1.00 53.40 ? 13 C A "C5'" 1
1388
+ ATOM 260 C "C4'" . C A 1 13 ? 27.871 41.283 75.354 1.00 49.67 ? 13 C A "C4'" 1
1389
+ ATOM 261 O "O4'" . C A 1 13 ? 28.771 42.337 74.977 1.00 50.79 ? 13 C A "O4'" 1
1390
+ ATOM 262 C "C3'" . C A 1 13 ? 28.419 40.057 74.652 1.00 46.65 ? 13 C A "C3'" 1
1391
+ ATOM 263 O "O3'" . C A 1 13 ? 27.398 39.106 74.459 1.00 53.66 ? 13 C A "O3'" 1
1392
+ ATOM 264 C "C2'" . C A 1 13 ? 28.903 40.642 73.335 1.00 45.08 ? 13 C A "C2'" 1
1393
+ ATOM 265 O "O2'" . C A 1 13 ? 27.841 40.946 72.447 1.00 51.17 ? 13 C A "O2'" 1
1394
+ ATOM 266 C "C1'" . C A 1 13 ? 29.452 41.977 73.800 1.00 41.82 ? 13 C A "C1'" 1
1395
+ ATOM 267 N N1 . C A 1 13 ? 30.862 41.904 74.126 1.00 29.56 ? 13 C A N1 1
1396
+ ATOM 268 C C2 . C A 1 13 ? 31.765 41.869 73.099 1.00 36.12 ? 13 C A C2 1
1397
+ ATOM 269 O O2 . C A 1 13 ? 31.327 41.886 71.945 1.00 53.95 ? 13 C A O2 1
1398
+ ATOM 270 N N3 . C A 1 13 ? 33.079 41.835 73.373 1.00 26.12 ? 13 C A N3 1
1399
+ ATOM 271 C C4 . C A 1 13 ? 33.481 41.858 74.634 1.00 28.81 ? 13 C A C4 1
1400
+ ATOM 272 N N4 . C A 1 13 ? 34.781 41.873 74.880 1.00 42.38 ? 13 C A N4 1
1401
+ ATOM 273 C C5 . C A 1 13 ? 32.567 41.881 75.709 1.00 24.87 ? 13 C A C5 1
1402
+ ATOM 274 C C6 . C A 1 13 ? 31.276 41.894 75.414 1.00 19.72 ? 13 C A C6 1
1403
+ ATOM 275 P P . G A 1 14 ? 27.746 37.542 74.563 1.00 53.43 ? 14 G A P 1
1404
+ ATOM 276 O OP1 . G A 1 14 ? 26.501 36.841 74.189 1.00 52.83 ? 14 G A OP1 1
1405
+ ATOM 277 O OP2 . G A 1 14 ? 28.447 37.213 75.837 1.00 51.72 ? 14 G A OP2 1
1406
+ ATOM 278 O "O5'" . G A 1 14 ? 28.784 37.304 73.400 1.00 50.72 ? 14 G A "O5'" 1
1407
+ ATOM 279 C "C5'" . G A 1 14 ? 28.473 37.702 72.084 1.00 49.29 ? 14 G A "C5'" 1
1408
+ ATOM 280 C "C4'" . G A 1 14 ? 29.666 37.491 71.236 1.00 43.38 ? 14 G A "C4'" 1
1409
+ ATOM 281 O "O4'" . G A 1 14 ? 30.742 38.317 71.755 1.00 46.08 ? 14 G A "O4'" 1
1410
+ ATOM 282 C "C3'" . G A 1 14 ? 30.185 36.061 71.317 1.00 38.32 ? 14 G A "C3'" 1
1411
+ ATOM 283 O "O3'" . G A 1 14 ? 30.673 35.740 70.047 1.00 37.37 ? 14 G A "O3'" 1
1412
+ ATOM 284 C "C2'" . G A 1 14 ? 31.384 36.186 72.244 1.00 32.70 ? 14 G A "C2'" 1
1413
+ ATOM 285 O "O2'" . G A 1 14 ? 32.416 35.246 72.090 1.00 29.39 ? 14 G A "O2'" 1
1414
+ ATOM 286 C "C1'" . G A 1 14 ? 31.901 37.532 71.792 1.00 42.03 ? 14 G A "C1'" 1
1415
+ ATOM 287 N N9 . G A 1 14 ? 32.874 38.086 72.705 1.00 43.59 ? 14 G A N9 1
1416
+ ATOM 288 C C8 . G A 1 14 ? 32.862 37.988 74.060 1.00 46.74 ? 14 G A C8 1
1417
+ ATOM 289 N N7 . G A 1 14 ? 33.947 38.451 74.607 1.00 54.28 ? 14 G A N7 1
1418
+ ATOM 290 C C5 . G A 1 14 ? 34.707 38.898 73.544 1.00 49.72 ? 14 G A C5 1
1419
+ ATOM 291 C C6 . G A 1 14 ? 35.992 39.447 73.522 1.00 45.00 ? 14 G A C6 1
1420
+ ATOM 292 O O6 . G A 1 14 ? 36.764 39.591 74.457 1.00 42.42 ? 14 G A O6 1
1421
+ ATOM 293 N N1 . G A 1 14 ? 36.369 39.821 72.245 1.00 45.77 ? 14 G A N1 1
1422
+ ATOM 294 C C2 . G A 1 14 ? 35.604 39.653 71.127 1.00 48.98 ? 14 G A C2 1
1423
+ ATOM 295 N N2 . G A 1 14 ? 36.118 40.127 69.998 1.00 56.15 ? 14 G A N2 1
1424
+ ATOM 296 N N3 . G A 1 14 ? 34.419 39.080 71.124 1.00 46.43 ? 14 G A N3 1
1425
+ ATOM 297 C C4 . G A 1 14 ? 34.033 38.731 72.366 1.00 47.50 ? 14 G A C4 1
1426
+ ATOM 298 P P . G A 1 15 ? 30.211 34.397 69.345 1.00 40.76 ? 15 G A P 1
1427
+ ATOM 299 O OP1 . G A 1 15 ? 28.937 34.719 68.617 1.00 36.44 ? 15 G A OP1 1
1428
+ ATOM 300 O OP2 . G A 1 15 ? 30.254 33.261 70.322 1.00 35.78 ? 15 G A OP2 1
1429
+ ATOM 301 O "O5'" . G A 1 15 ? 31.386 34.198 68.309 1.00 31.10 ? 15 G A "O5'" 1
1430
+ ATOM 302 C "C5'" . G A 1 15 ? 31.452 35.014 67.147 1.00 31.46 ? 15 G A "C5'" 1
1431
+ ATOM 303 C "C4'" . G A 1 15 ? 32.873 35.126 66.680 1.00 31.06 ? 15 G A "C4'" 1
1432
+ ATOM 304 O "O4'" . G A 1 15 ? 33.495 36.237 67.354 1.00 32.89 ? 15 G A "O4'" 1
1433
+ ATOM 305 C "C3'" . G A 1 15 ? 33.781 33.943 66.981 1.00 29.60 ? 15 G A "C3'" 1
1434
+ ATOM 306 O "O3'" . G A 1 15 ? 33.783 32.915 66.029 1.00 42.38 ? 15 G A "O3'" 1
1435
+ ATOM 307 C "C2'" . G A 1 15 ? 35.137 34.578 66.930 1.00 31.90 ? 15 G A "C2'" 1
1436
+ ATOM 308 O "O2'" . G A 1 15 ? 35.480 34.678 65.557 1.00 29.23 ? 15 G A "O2'" 1
1437
+ ATOM 309 C "C1'" . G A 1 15 ? 34.851 35.931 67.583 1.00 37.06 ? 15 G A "C1'" 1
1438
+ ATOM 310 N N9 . G A 1 15 ? 35.073 35.861 69.027 1.00 38.73 ? 15 G A N9 1
1439
+ ATOM 311 C C8 . G A 1 15 ? 34.176 35.547 70.015 1.00 42.24 ? 15 G A C8 1
1440
+ ATOM 312 N N7 . G A 1 15 ? 34.708 35.575 71.204 1.00 40.13 ? 15 G A N7 1
1441
+ ATOM 313 C C5 . G A 1 15 ? 36.020 35.931 70.973 1.00 36.51 ? 15 G A C5 1
1442
+ ATOM 314 C C6 . G A 1 15 ? 37.057 36.141 71.857 1.00 44.41 ? 15 G A C6 1
1443
+ ATOM 315 O O6 . G A 1 15 ? 37.040 36.058 73.082 1.00 60.27 ? 15 G A O6 1
1444
+ ATOM 316 N N1 . G A 1 15 ? 38.220 36.488 71.201 1.00 39.34 ? 15 G A N1 1
1445
+ ATOM 317 C C2 . G A 1 15 ? 38.346 36.614 69.856 1.00 35.72 ? 15 G A C2 1
1446
+ ATOM 318 N N2 . G A 1 15 ? 39.537 36.947 69.388 1.00 45.18 ? 15 G A N2 1
1447
+ ATOM 319 N N3 . G A 1 15 ? 37.382 36.430 69.023 1.00 31.85 ? 15 G A N3 1
1448
+ ATOM 320 C C4 . G A 1 15 ? 36.255 36.097 69.639 1.00 32.38 ? 15 G A C4 1
1449
+ ATOM 321 P P . G A 1 16 ? 34.107 31.417 66.509 1.00 49.26 ? 16 G A P 1
1450
+ ATOM 322 O OP1 . G A 1 16 ? 33.280 30.520 65.687 1.00 53.96 ? 16 G A OP1 1
1451
+ ATOM 323 O OP2 . G A 1 16 ? 34.013 31.344 67.980 1.00 57.46 ? 16 G A OP2 1
1452
+ ATOM 324 O "O5'" . G A 1 16 ? 35.622 31.126 66.133 1.00 39.20 ? 16 G A "O5'" 1
1453
+ ATOM 325 C "C5'" . G A 1 16 ? 36.047 29.767 66.089 1.00 39.26 ? 16 G A "C5'" 1
1454
+ ATOM 326 C "C4'" . G A 1 16 ? 37.514 29.686 65.906 1.00 35.99 ? 16 G A "C4'" 1
1455
+ ATOM 327 O "O4'" . G A 1 16 ? 38.110 30.519 66.899 1.00 36.81 ? 16 G A "O4'" 1
1456
+ ATOM 328 C "C3'" . G A 1 16 ? 38.112 28.290 66.036 1.00 35.85 ? 16 G A "C3'" 1
1457
+ ATOM 329 O "O3'" . G A 1 16 ? 39.148 28.161 65.121 1.00 36.17 ? 16 G A "O3'" 1
1458
+ ATOM 330 C "C2'" . G A 1 16 ? 38.729 28.258 67.416 1.00 41.36 ? 16 G A "C2'" 1
1459
+ ATOM 331 O "O2'" . G A 1 16 ? 39.984 27.583 67.367 1.00 45.70 ? 16 G A "O2'" 1
1460
+ ATOM 332 C "C1'" . G A 1 16 ? 38.919 29.743 67.744 1.00 45.24 ? 16 G A "C1'" 1
1461
+ ATOM 333 N N9 . G A 1 16 ? 38.447 29.965 69.103 1.00 54.43 ? 16 G A N9 1
1462
+ ATOM 334 C C8 . G A 1 16 ? 37.147 30.157 69.526 1.00 52.91 ? 16 G A C8 1
1463
+ ATOM 335 N N7 . G A 1 16 ? 37.042 30.195 70.827 1.00 49.82 ? 16 G A N7 1
1464
+ ATOM 336 C C5 . G A 1 16 ? 38.349 30.043 71.273 1.00 48.10 ? 16 G A C5 1
1465
+ ATOM 337 C C6 . G A 1 16 ? 38.838 29.948 72.542 1.00 49.40 ? 16 G A C6 1
1466
+ ATOM 338 O O6 . G A 1 16 ? 38.201 29.916 73.573 1.00 65.79 ? 16 G A O6 1
1467
+ ATOM 339 N N1 . G A 1 16 ? 40.223 29.832 72.563 1.00 42.24 ? 16 G A N1 1
1468
+ ATOM 340 C C2 . G A 1 16 ? 41.017 29.764 71.463 1.00 44.15 ? 16 G A C2 1
1469
+ ATOM 341 N N2 . G A 1 16 ? 42.333 29.637 71.675 1.00 54.53 ? 16 G A N2 1
1470
+ ATOM 342 N N3 . G A 1 16 ? 40.560 29.810 70.245 1.00 42.25 ? 16 G A N3 1
1471
+ ATOM 343 C C4 . G A 1 16 ? 39.225 29.948 70.222 1.00 48.94 ? 16 G A C4 1
1472
+ ATOM 344 P P . A A 1 17 ? 38.815 28.257 63.577 1.00 33.19 ? 17 A A P 1
1473
+ ATOM 345 O OP1 . A A 1 17 ? 37.349 28.408 63.402 1.00 22.94 ? 17 A A OP1 1
1474
+ ATOM 346 O OP2 . A A 1 17 ? 39.518 27.124 62.944 1.00 48.57 ? 17 A A OP2 1
1475
+ ATOM 347 O "O5'" . A A 1 17 ? 39.464 29.643 63.165 1.00 25.06 ? 17 A A "O5'" 1
1476
+ ATOM 348 C "C5'" . A A 1 17 ? 38.608 30.749 63.024 1.00 32.41 ? 17 A A "C5'" 1
1477
+ ATOM 349 C "C4'" . A A 1 17 ? 39.380 31.982 62.735 1.00 31.63 ? 17 A A "C4'" 1
1478
+ ATOM 350 O "O4'" . A A 1 17 ? 40.196 31.746 61.576 1.00 29.00 ? 17 A A "O4'" 1
1479
+ ATOM 351 C "C3'" . A A 1 17 ? 38.423 33.087 62.345 1.00 34.19 ? 17 A A "C3'" 1
1480
+ ATOM 352 O "O3'" . A A 1 17 ? 37.895 33.743 63.500 1.00 40.19 ? 17 A A "O3'" 1
1481
+ ATOM 353 C "C2'" . A A 1 17 ? 39.198 33.916 61.353 1.00 46.36 ? 17 A A "C2'" 1
1482
+ ATOM 354 O "O2'" . A A 1 17 ? 39.948 34.940 61.969 1.00 66.59 ? 17 A A "O2'" 1
1483
+ ATOM 355 C "C1'" . A A 1 17 ? 40.107 32.861 60.710 1.00 41.16 ? 17 A A "C1'" 1
1484
+ ATOM 356 N N9 . A A 1 17 ? 39.679 32.412 59.386 1.00 36.58 ? 17 A A N9 1
1485
+ ATOM 357 C C8 . A A 1 17 ? 39.239 31.183 59.006 1.00 45.06 ? 17 A A C8 1
1486
+ ATOM 358 N N7 . A A 1 17 ? 38.926 31.104 57.735 1.00 45.75 ? 17 A A N7 1
1487
+ ATOM 359 C C5 . A A 1 17 ? 39.182 32.372 57.254 1.00 38.20 ? 17 A A C5 1
1488
+ ATOM 360 C C6 . A A 1 17 ? 39.035 32.941 55.994 1.00 43.12 ? 17 A A C6 1
1489
+ ATOM 361 N N6 . A A 1 17 ? 38.605 32.278 54.933 1.00 56.34 ? 17 A A N6 1
1490
+ ATOM 362 N N1 . A A 1 17 ? 39.346 34.235 55.851 1.00 36.49 ? 17 A A N1 1
1491
+ ATOM 363 C C2 . A A 1 17 ? 39.779 34.895 56.908 1.00 34.73 ? 17 A A C2 1
1492
+ ATOM 364 N N3 . A A 1 17 ? 39.970 34.471 58.141 1.00 34.40 ? 17 A A N3 1
1493
+ ATOM 365 C C4 . A A 1 17 ? 39.644 33.184 58.253 1.00 34.47 ? 17 A A C4 1
1494
+ ATOM 366 P P . A A 1 18 ? 38.803 34.717 64.430 1.00 32.51 ? 18 A A P 1
1495
+ ATOM 367 O OP1 . A A 1 18 ? 38.091 34.647 65.692 1.00 45.87 ? 18 A A OP1 1
1496
+ ATOM 368 O OP2 . A A 1 18 ? 39.030 36.043 63.828 1.00 30.64 ? 18 A A OP2 1
1497
+ ATOM 369 O "O5'" . A A 1 18 ? 40.208 34.021 64.701 1.00 2.00 ? 18 A A "O5'" 1
1498
+ ATOM 370 C "C5'" . A A 1 18 ? 41.357 34.878 64.827 1.00 11.76 ? 18 A A "C5'" 1
1499
+ ATOM 371 C "C4'" . A A 1 18 ? 42.436 34.256 65.681 1.00 28.28 ? 18 A A "C4'" 1
1500
+ ATOM 372 O "O4'" . A A 1 18 ? 42.115 34.425 67.068 1.00 28.48 ? 18 A A "O4'" 1
1501
+ ATOM 373 C "C3'" . A A 1 18 ? 42.751 32.781 65.473 1.00 36.61 ? 18 A A "C3'" 1
1502
+ ATOM 374 O "O3'" . A A 1 18 ? 44.141 32.579 65.732 1.00 40.54 ? 18 A A "O3'" 1
1503
+ ATOM 375 C "C2'" . A A 1 18 ? 41.999 32.117 66.610 1.00 34.42 ? 18 A A "C2'" 1
1504
+ ATOM 376 O "O2'" . A A 1 18 ? 42.607 30.899 67.011 1.00 35.39 ? 18 A A "O2'" 1
1505
+ ATOM 377 C "C1'" . A A 1 18 ? 42.129 33.176 67.707 1.00 35.00 ? 18 A A "C1'" 1
1506
+ ATOM 378 N N9 . A A 1 18 ? 40.993 33.167 68.607 1.00 40.58 ? 18 A A N9 1
1507
+ ATOM 379 C C8 . A A 1 18 ? 39.687 33.094 68.229 1.00 51.86 ? 18 A A C8 1
1508
+ ATOM 380 N N7 . A A 1 18 ? 38.845 33.133 69.229 1.00 51.69 ? 18 A A N7 1
1509
+ ATOM 381 C C5 . A A 1 18 ? 39.659 33.224 70.333 1.00 37.01 ? 18 A A C5 1
1510
+ ATOM 382 C C6 . A A 1 18 ? 39.363 33.298 71.653 1.00 38.96 ? 18 A A C6 1
1511
+ ATOM 383 N N6 . A A 1 18 ? 38.109 33.278 72.101 1.00 51.02 ? 18 A A N6 1
1512
+ ATOM 384 N N1 . A A 1 18 ? 40.384 33.396 72.518 1.00 35.05 ? 18 A A N1 1
1513
+ ATOM 385 C C2 . A A 1 18 ? 41.630 33.416 72.034 1.00 36.16 ? 18 A A C2 1
1514
+ ATOM 386 N N3 . A A 1 18 ? 42.038 33.347 70.785 1.00 30.05 ? 18 A A N3 1
1515
+ ATOM 387 C C4 . A A 1 18 ? 40.985 33.248 69.971 1.00 34.37 ? 18 A A C4 1
1516
+ ATOM 388 P P . A A 1 19 ? 45.197 32.562 64.517 1.00 46.72 ? 19 A A P 1
1517
+ ATOM 389 O OP1 . A A 1 19 ? 46.433 31.933 65.012 1.00 46.78 ? 19 A A OP1 1
1518
+ ATOM 390 O OP2 . A A 1 19 ? 45.262 33.945 63.937 1.00 42.70 ? 19 A A OP2 1
1519
+ ATOM 391 O "O5'" . A A 1 19 ? 44.561 31.552 63.456 1.00 44.19 ? 19 A A "O5'" 1
1520
+ ATOM 392 C "C5'" . A A 1 19 ? 44.329 30.177 63.805 1.00 40.34 ? 19 A A "C5'" 1
1521
+ ATOM 393 C "C4'" . A A 1 19 ? 43.945 29.351 62.584 1.00 37.40 ? 19 A A "C4'" 1
1522
+ ATOM 394 O "O4'" . A A 1 19 ? 42.700 29.836 61.996 1.00 33.76 ? 19 A A "O4'" 1
1523
+ ATOM 395 C "C3'" . A A 1 19 ? 44.923 29.288 61.423 1.00 33.23 ? 19 A A "C3'" 1
1524
+ ATOM 396 O "O3'" . A A 1 19 ? 45.958 28.331 61.611 1.00 34.93 ? 19 A A "O3'" 1
1525
+ ATOM 397 C "C2'" . A A 1 19 ? 44.018 28.845 60.292 1.00 38.60 ? 19 A A "C2'" 1
1526
+ ATOM 398 O "O2'" . A A 1 19 ? 43.813 27.446 60.444 1.00 43.44 ? 19 A A "O2'" 1
1527
+ ATOM 399 C "C1'" . A A 1 19 ? 42.738 29.641 60.591 1.00 36.04 ? 19 A A "C1'" 1
1528
+ ATOM 400 N N9 . A A 1 19 ? 42.768 30.973 59.978 1.00 34.17 ? 19 A A N9 1
1529
+ ATOM 401 C C8 . A A 1 19 ? 42.898 32.142 60.670 1.00 38.44 ? 19 A A C8 1
1530
+ ATOM 402 N N7 . A A 1 19 ? 42.970 33.204 59.909 1.00 42.28 ? 19 A A N7 1
1531
+ ATOM 403 C C5 . A A 1 19 ? 42.866 32.701 58.624 1.00 38.64 ? 19 A A C5 1
1532
+ ATOM 404 C C6 . A A 1 19 ? 42.906 33.324 57.363 1.00 40.07 ? 19 A A C6 1
1533
+ ATOM 405 N N6 . A A 1 19 ? 43.095 34.638 57.187 1.00 30.75 ? 19 A A N6 1
1534
+ ATOM 406 N N1 . A A 1 19 ? 42.765 32.542 56.279 1.00 39.36 ? 19 A A N1 1
1535
+ ATOM 407 C C2 . A A 1 19 ? 42.619 31.236 56.456 1.00 39.36 ? 19 A A C2 1
1536
+ ATOM 408 N N3 . A A 1 19 ? 42.589 30.533 57.586 1.00 41.43 ? 19 A A N3 1
1537
+ ATOM 409 C C4 . A A 1 19 ? 42.719 31.333 58.649 1.00 33.61 ? 19 A A C4 1
1538
+ ATOM 410 P P . A A 1 20 ? 47.367 28.519 60.830 1.00 38.69 ? 20 A A P 1
1539
+ ATOM 411 O OP1 . A A 1 20 ? 48.326 27.456 61.255 1.00 25.92 ? 20 A A OP1 1
1540
+ ATOM 412 O OP2 . A A 1 20 ? 47.813 29.960 60.881 1.00 33.17 ? 20 A A OP2 1
1541
+ ATOM 413 O "O5'" . A A 1 20 ? 46.930 28.202 59.337 1.00 35.32 ? 20 A A "O5'" 1
1542
+ ATOM 414 C "C5'" . A A 1 20 ? 46.380 26.928 59.011 1.00 39.77 ? 20 A A "C5'" 1
1543
+ ATOM 415 C "C4'" . A A 1 20 ? 46.066 26.878 57.546 1.00 39.29 ? 20 A A "C4'" 1
1544
+ ATOM 416 O "O4'" . A A 1 20 ? 45.048 27.858 57.298 1.00 34.12 ? 20 A A "O4'" 1
1545
+ ATOM 417 C "C3'" . A A 1 20 ? 47.214 27.259 56.623 1.00 36.08 ? 20 A A "C3'" 1
1546
+ ATOM 418 O "O3'" . A A 1 20 ? 47.984 26.128 56.268 1.00 35.25 ? 20 A A "O3'" 1
1547
+ ATOM 419 C "C2'" . A A 1 20 ? 46.496 27.825 55.417 1.00 37.40 ? 20 A A "C2'" 1
1548
+ ATOM 420 O "O2'" . A A 1 20 ? 46.010 26.817 54.564 1.00 46.65 ? 20 A A "O2'" 1
1549
+ ATOM 421 C "C1'" . A A 1 20 ? 45.304 28.500 56.077 1.00 32.94 ? 20 A A "C1'" 1
1550
+ ATOM 422 N N9 . A A 1 20 ? 45.634 29.862 56.405 1.00 27.12 ? 20 A A N9 1
1551
+ ATOM 423 C C8 . A A 1 20 ? 46.019 30.371 57.599 1.00 33.24 ? 20 A A C8 1
1552
+ ATOM 424 N N7 . A A 1 20 ? 46.248 31.651 57.563 1.00 34.99 ? 20 A A N7 1
1553
+ ATOM 425 C C5 . A A 1 20 ? 45.994 31.987 56.254 1.00 15.86 ? 20 A A C5 1
1554
+ ATOM 426 C C6 . A A 1 20 ? 46.039 33.164 55.600 1.00 18.16 ? 20 A A C6 1
1555
+ ATOM 427 N N6 . A A 1 20 ? 46.377 34.296 56.179 1.00 34.33 ? 20 A A N6 1
1556
+ ATOM 428 N N1 . A A 1 20 ? 45.716 33.175 54.308 1.00 24.17 ? 20 A A N1 1
1557
+ ATOM 429 C C2 . A A 1 20 ? 45.359 32.036 53.737 1.00 28.67 ? 20 A A C2 1
1558
+ ATOM 430 N N3 . A A 1 20 ? 45.274 30.842 54.261 1.00 22.57 ? 20 A A N3 1
1559
+ ATOM 431 C C4 . A A 1 20 ? 45.614 30.895 55.539 1.00 18.61 ? 20 A A C4 1
1560
+ ATOM 432 P P . U A 1 21 ? 49.529 26.320 55.905 1.00 38.44 ? 21 U A P 1
1561
+ ATOM 433 O OP1 . U A 1 21 ? 49.942 24.975 55.398 1.00 36.76 ? 21 U A OP1 1
1562
+ ATOM 434 O OP2 . U A 1 21 ? 50.284 26.951 57.008 1.00 45.01 ? 21 U A OP2 1
1563
+ ATOM 435 O "O5'" . U A 1 21 ? 49.476 27.429 54.774 1.00 30.17 ? 21 U A "O5'" 1
1564
+ ATOM 436 C "C5'" . U A 1 21 ? 48.762 27.162 53.592 1.00 35.26 ? 21 U A "C5'" 1
1565
+ ATOM 437 C "C4'" . U A 1 21 ? 48.909 28.295 52.648 1.00 33.00 ? 21 U A "C4'" 1
1566
+ ATOM 438 O "O4'" . U A 1 21 ? 48.099 29.392 53.096 1.00 31.52 ? 21 U A "O4'" 1
1567
+ ATOM 439 C "C3'" . U A 1 21 ? 50.292 28.890 52.519 1.00 35.00 ? 21 U A "C3'" 1
1568
+ ATOM 440 O "O3'" . U A 1 21 ? 51.117 28.143 51.652 1.00 44.42 ? 21 U A "O3'" 1
1569
+ ATOM 441 C "C2'" . U A 1 21 ? 49.975 30.249 51.930 1.00 33.00 ? 21 U A "C2'" 1
1570
+ ATOM 442 O "O2'" . U A 1 21 ? 49.687 30.135 50.551 1.00 39.36 ? 21 U A "O2'" 1
1571
+ ATOM 443 C "C1'" . U A 1 21 ? 48.689 30.598 52.669 1.00 29.86 ? 21 U A "C1'" 1
1572
+ ATOM 444 N N1 . U A 1 21 ? 48.993 31.364 53.866 1.00 24.01 ? 21 U A N1 1
1573
+ ATOM 445 C C2 . U A 1 21 ? 48.733 32.717 53.855 1.00 24.62 ? 21 U A C2 1
1574
+ ATOM 446 O O2 . U A 1 21 ? 48.285 33.306 52.894 1.00 23.96 ? 21 U A O2 1
1575
+ ATOM 447 N N3 . U A 1 21 ? 49.028 33.361 55.010 1.00 25.82 ? 21 U A N3 1
1576
+ ATOM 448 C C4 . U A 1 21 ? 49.554 32.799 56.133 1.00 36.74 ? 21 U A C4 1
1577
+ ATOM 449 O O4 . U A 1 21 ? 49.749 33.507 57.122 1.00 47.30 ? 21 U A O4 1
1578
+ ATOM 450 C C5 . U A 1 21 ? 49.809 31.388 56.043 1.00 35.19 ? 21 U A C5 1
1579
+ ATOM 451 C C6 . U A 1 21 ? 49.521 30.743 54.943 1.00 21.86 ? 21 U A C6 1
1580
+ ATOM 452 P P . G A 1 22 ? 52.699 28.420 51.647 1.00 47.62 ? 22 G A P 1
1581
+ ATOM 453 O OP1 . G A 1 22 ? 53.347 27.476 52.610 1.00 42.42 ? 22 G A OP1 1
1582
+ ATOM 454 O OP2 . G A 1 22 ? 52.899 29.879 51.809 1.00 52.99 ? 22 G A OP2 1
1583
+ ATOM 455 O "O5'" . G A 1 22 ? 53.123 28.079 50.151 1.00 47.02 ? 22 G A "O5'" 1
1584
+ ATOM 456 C "C5'" . G A 1 22 ? 52.691 26.873 49.507 1.00 44.92 ? 22 G A "C5'" 1
1585
+ ATOM 457 C "C4'" . G A 1 22 ? 52.538 27.109 48.025 1.00 44.71 ? 22 G A "C4'" 1
1586
+ ATOM 458 O "O4'" . G A 1 22 ? 51.426 28.005 47.786 1.00 48.31 ? 22 G A "O4'" 1
1587
+ ATOM 459 C "C3'" . G A 1 22 ? 53.722 27.779 47.364 1.00 42.04 ? 22 G A "C3'" 1
1588
+ ATOM 460 O "O3'" . G A 1 22 ? 54.682 26.825 46.979 1.00 42.39 ? 22 G A "O3'" 1
1589
+ ATOM 461 C "C2'" . G A 1 22 ? 53.112 28.486 46.165 1.00 44.56 ? 22 G A "C2'" 1
1590
+ ATOM 462 O "O2'" . G A 1 22 ? 53.005 27.704 44.998 1.00 54.98 ? 22 G A "O2'" 1
1591
+ ATOM 463 C "C1'" . G A 1 22 ? 51.724 28.841 46.691 1.00 43.53 ? 22 G A "C1'" 1
1592
+ ATOM 464 N N9 . G A 1 22 ? 51.755 30.202 47.174 1.00 40.66 ? 22 G A N9 1
1593
+ ATOM 465 C C8 . G A 1 22 ? 51.744 30.646 48.476 1.00 43.30 ? 22 G A C8 1
1594
+ ATOM 466 N N7 . G A 1 22 ? 51.826 31.944 48.570 1.00 44.08 ? 22 G A N7 1
1595
+ ATOM 467 C C5 . G A 1 22 ? 51.877 32.371 47.247 1.00 43.33 ? 22 G A C5 1
1596
+ ATOM 468 C C6 . G A 1 22 ? 51.964 33.670 46.707 1.00 42.36 ? 22 G A C6 1
1597
+ ATOM 469 O O6 . G A 1 22 ? 51.995 34.743 47.308 1.00 50.58 ? 22 G A O6 1
1598
+ ATOM 470 N N1 . G A 1 22 ? 52.010 33.644 45.318 1.00 35.81 ? 22 G A N1 1
1599
+ ATOM 471 C C2 . G A 1 22 ? 51.963 32.504 44.553 1.00 39.73 ? 22 G A C2 1
1600
+ ATOM 472 N N2 . G A 1 22 ? 52.020 32.672 43.240 1.00 51.98 ? 22 G A N2 1
1601
+ ATOM 473 N N3 . G A 1 22 ? 51.871 31.290 45.042 1.00 36.26 ? 22 G A N3 1
1602
+ ATOM 474 C C4 . G A 1 22 ? 51.834 31.299 46.385 1.00 40.42 ? 22 G A C4 1
1603
+ ATOM 475 P P . C A 1 23 ? 56.204 27.284 46.783 1.00 47.20 ? 23 C A P 1
1604
+ ATOM 476 O OP1 . C A 1 23 ? 56.866 25.992 46.489 1.00 47.29 ? 23 C A OP1 1
1605
+ ATOM 477 O OP2 . C A 1 23 ? 56.697 28.120 47.896 1.00 50.19 ? 23 C A OP2 1
1606
+ ATOM 478 O "O5'" . C A 1 23 ? 56.160 28.239 45.510 1.00 38.14 ? 23 C A "O5'" 1
1607
+ ATOM 479 C "C5'" . C A 1 23 ? 56.102 27.655 44.212 1.00 44.93 ? 23 C A "C5'" 1
1608
+ ATOM 480 C "C4'" . C A 1 23 ? 56.217 28.706 43.166 1.00 37.92 ? 23 C A "C4'" 1
1609
+ ATOM 481 O "O4'" . C A 1 23 ? 55.087 29.584 43.306 1.00 36.36 ? 23 C A "O4'" 1
1610
+ ATOM 482 C "C3'" . C A 1 23 ? 57.412 29.615 43.306 1.00 35.96 ? 23 C A "C3'" 1
1611
+ ATOM 483 O "O3'" . C A 1 23 ? 58.589 29.115 42.732 1.00 31.42 ? 23 C A "O3'" 1
1612
+ ATOM 484 C "C2'" . C A 1 23 ? 56.951 30.884 42.614 1.00 37.80 ? 23 C A "C2'" 1
1613
+ ATOM 485 O "O2'" . C A 1 23 ? 57.094 30.877 41.207 1.00 40.19 ? 23 C A "O2'" 1
1614
+ ATOM 486 C "C1'" . C A 1 23 ? 55.472 30.901 42.985 1.00 36.46 ? 23 C A "C1'" 1
1615
+ ATOM 487 N N1 . C A 1 23 ? 55.290 31.720 44.168 1.00 33.35 ? 23 C A N1 1
1616
+ ATOM 488 C C2 . C A 1 23 ? 55.208 33.099 44.007 1.00 39.43 ? 23 C A C2 1
1617
+ ATOM 489 O O2 . C A 1 23 ? 55.202 33.556 42.862 1.00 50.44 ? 23 C A O2 1
1618
+ ATOM 490 N N3 . C A 1 23 ? 55.133 33.887 45.081 1.00 36.66 ? 23 C A N3 1
1619
+ ATOM 491 C C4 . C A 1 23 ? 55.108 33.342 46.286 1.00 45.67 ? 23 C A C4 1
1620
+ ATOM 492 N N4 . C A 1 23 ? 55.065 34.162 47.336 1.00 63.18 ? 23 C A N4 1
1621
+ ATOM 493 C C5 . C A 1 23 ? 55.135 31.928 46.480 1.00 39.85 ? 23 C A C5 1
1622
+ ATOM 494 C C6 . C A 1 23 ? 55.227 31.159 45.401 1.00 27.74 ? 23 C A C6 1
1623
+ ATOM 495 P P . A A 1 24 ? 59.951 29.868 43.067 1.00 43.24 ? 24 A A P 1
1624
+ ATOM 496 O OP1 . A A 1 24 ? 61.066 29.188 42.388 1.00 49.41 ? 24 A A OP1 1
1625
+ ATOM 497 O OP2 . A A 1 24 ? 59.983 30.021 44.527 1.00 55.03 ? 24 A A OP2 1
1626
+ ATOM 498 O "O5'" . A A 1 24 ? 59.740 31.330 42.475 1.00 26.90 ? 24 A A "O5'" 1
1627
+ ATOM 499 C "C5'" . A A 1 24 ? 59.623 31.515 41.078 1.00 22.18 ? 24 A A "C5'" 1
1628
+ ATOM 500 C "C4'" . A A 1 24 ? 59.735 32.965 40.730 1.00 20.99 ? 24 A A "C4'" 1
1629
+ ATOM 501 O "O4'" . A A 1 24 ? 58.534 33.649 41.121 1.00 21.26 ? 24 A A "O4'" 1
1630
+ ATOM 502 C "C3'" . A A 1 24 ? 60.866 33.727 41.386 1.00 21.32 ? 24 A A "C3'" 1
1631
+ ATOM 503 O "O3'" . A A 1 24 ? 62.037 33.628 40.619 1.00 29.41 ? 24 A A "O3'" 1
1632
+ ATOM 504 C "C2'" . A A 1 24 ? 60.357 35.157 41.351 1.00 27.84 ? 24 A A "C2'" 1
1633
+ ATOM 505 O "O2'" . A A 1 24 ? 60.602 35.768 40.095 1.00 28.39 ? 24 A A "O2'" 1
1634
+ ATOM 506 C "C1'" . A A 1 24 ? 58.855 34.952 41.570 1.00 26.03 ? 24 A A "C1'" 1
1635
+ ATOM 507 N N9 . A A 1 24 ? 58.498 35.003 42.983 1.00 28.67 ? 24 A A N9 1
1636
+ ATOM 508 C C8 . A A 1 24 ? 58.361 33.933 43.832 1.00 33.26 ? 24 A A C8 1
1637
+ ATOM 509 N N7 . A A 1 24 ? 58.031 34.270 45.051 1.00 31.44 ? 24 A A N7 1
1638
+ ATOM 510 C C5 . A A 1 24 ? 57.952 35.649 44.997 1.00 26.47 ? 24 A A C5 1
1639
+ ATOM 511 C C6 . A A 1 24 ? 57.656 36.586 45.956 1.00 27.06 ? 24 A A C6 1
1640
+ ATOM 512 N N6 . A A 1 24 ? 57.396 36.265 47.216 1.00 32.45 ? 24 A A N6 1
1641
+ ATOM 513 N N1 . A A 1 24 ? 57.640 37.881 45.590 1.00 25.36 ? 24 A A N1 1
1642
+ ATOM 514 C C2 . A A 1 24 ? 57.927 38.185 44.331 1.00 27.89 ? 24 A A C2 1
1643
+ ATOM 515 N N3 . A A 1 24 ? 58.243 37.383 43.327 1.00 26.70 ? 24 A A N3 1
1644
+ ATOM 516 C C4 . A A 1 24 ? 58.233 36.112 43.734 1.00 24.88 ? 24 A A C4 1
1645
+ ATOM 517 P P . C A 1 25 ? 63.442 33.985 41.284 1.00 40.92 ? 25 C A P 1
1646
+ ATOM 518 O OP1 . C A 1 25 ? 64.454 33.892 40.215 1.00 54.27 ? 25 C A OP1 1
1647
+ ATOM 519 O OP2 . C A 1 25 ? 63.559 33.112 42.477 1.00 41.09 ? 25 C A OP2 1
1648
+ ATOM 520 O "O5'" . C A 1 25 ? 63.337 35.539 41.627 1.00 23.33 ? 25 C A "O5'" 1
1649
+ ATOM 521 C "C5'" . C A 1 25 ? 63.386 36.475 40.561 1.00 14.16 ? 25 C A "C5'" 1
1650
+ ATOM 522 C "C4'" . C A 1 25 ? 63.218 37.885 41.051 1.00 18.17 ? 25 C A "C4'" 1
1651
+ ATOM 523 O "O4'" . C A 1 25 ? 61.946 38.027 41.717 1.00 27.98 ? 25 C A "O4'" 1
1652
+ ATOM 524 C "C3'" . C A 1 25 ? 64.223 38.429 42.036 1.00 25.13 ? 25 C A "C3'" 1
1653
+ ATOM 525 O "O3'" . C A 1 25 ? 65.384 38.915 41.425 1.00 25.69 ? 25 C A "O3'" 1
1654
+ ATOM 526 C "C2'" . C A 1 25 ? 63.460 39.573 42.682 1.00 37.31 ? 25 C A "C2'" 1
1655
+ ATOM 527 O "O2'" . C A 1 25 ? 63.438 40.751 41.884 1.00 40.59 ? 25 C A "O2'" 1
1656
+ ATOM 528 C "C1'" . C A 1 25 ? 62.060 38.981 42.760 1.00 38.46 ? 25 C A "C1'" 1
1657
+ ATOM 529 N N1 . C A 1 25 ? 61.843 38.260 44.017 1.00 47.97 ? 25 C A N1 1
1658
+ ATOM 530 C C2 . C A 1 25 ? 61.029 38.824 44.980 1.00 45.52 ? 25 C A C2 1
1659
+ ATOM 531 O O2 . C A 1 25 ? 60.673 40.005 44.842 1.00 47.05 ? 25 C A O2 1
1660
+ ATOM 532 N N3 . C A 1 25 ? 60.663 38.077 46.044 1.00 43.58 ? 25 C A N3 1
1661
+ ATOM 533 C C4 . C A 1 25 ? 61.128 36.833 46.176 1.00 43.82 ? 25 C A C4 1
1662
+ ATOM 534 N N4 . C A 1 25 ? 60.683 36.102 47.179 1.00 46.50 ? 25 C A N4 1
1663
+ ATOM 535 C C5 . C A 1 25 ? 62.058 36.279 45.264 1.00 47.83 ? 25 C A C5 1
1664
+ ATOM 536 C C6 . C A 1 25 ? 62.388 37.018 44.208 1.00 50.85 ? 25 C A C6 1
1665
+ ATOM 537 P P . U A 1 26 ? 66.789 38.464 42.009 1.00 30.76 ? 26 U A P 1
1666
+ ATOM 538 O OP1 . U A 1 26 ? 66.538 37.959 43.372 1.00 45.16 ? 26 U A OP1 1
1667
+ ATOM 539 O OP2 . U A 1 26 ? 67.798 39.514 41.791 1.00 39.85 ? 26 U A OP2 1
1668
+ ATOM 540 O "O5'" . U A 1 26 ? 67.141 37.196 41.128 1.00 32.19 ? 26 U A "O5'" 1
1669
+ ATOM 541 C "C5'" . U A 1 26 ? 66.636 35.899 41.443 1.00 26.59 ? 26 U A "C5'" 1
1670
+ ATOM 542 C "C4'" . U A 1 26 ? 67.760 34.909 41.314 1.00 33.14 ? 26 U A "C4'" 1
1671
+ ATOM 543 O "O4'" . U A 1 26 ? 68.904 35.437 42.026 1.00 34.40 ? 26 U A "O4'" 1
1672
+ ATOM 544 C "C3'" . U A 1 26 ? 67.509 33.543 41.916 1.00 38.34 ? 26 U A "C3'" 1
1673
+ ATOM 545 O "O3'" . U A 1 26 ? 66.658 32.625 41.219 1.00 37.97 ? 26 U A "O3'" 1
1674
+ ATOM 546 C "C2'" . U A 1 26 ? 68.902 33.061 42.269 1.00 40.30 ? 26 U A "C2'" 1
1675
+ ATOM 547 O "O2'" . U A 1 26 ? 69.503 32.517 41.124 1.00 46.87 ? 26 U A "O2'" 1
1676
+ ATOM 548 C "C1'" . U A 1 26 ? 69.604 34.374 42.643 1.00 41.03 ? 26 U A "C1'" 1
1677
+ ATOM 549 N N1 . U A 1 26 ? 69.721 34.662 44.085 1.00 47.94 ? 26 U A N1 1
1678
+ ATOM 550 C C2 . U A 1 26 ? 70.555 33.855 44.827 1.00 57.78 ? 26 U A C2 1
1679
+ ATOM 551 O O2 . U A 1 26 ? 71.171 32.916 44.344 1.00 62.88 ? 26 U A O2 1
1680
+ ATOM 552 N N3 . U A 1 26 ? 70.654 34.187 46.159 1.00 66.88 ? 26 U A N3 1
1681
+ ATOM 553 C C4 . U A 1 26 ? 70.024 35.227 46.813 1.00 65.63 ? 26 U A C4 1
1682
+ ATOM 554 O O4 . U A 1 26 ? 70.282 35.440 48.008 1.00 65.32 ? 26 U A O4 1
1683
+ ATOM 555 C C5 . U A 1 26 ? 69.165 36.011 45.979 1.00 60.12 ? 26 U A C5 1
1684
+ ATOM 556 C C6 . U A 1 26 ? 69.044 35.709 44.678 1.00 54.27 ? 26 U A C6 1
1685
+ HETATM 557 O O . HOH B 2 . ? 37.894 36.979 60.681 1.00 38.06 ? 27 HOH A O 1
1686
+ HETATM 558 O O . HOH B 2 . ? 49.545 33.388 60.306 1.00 28.14 ? 28 HOH A O 1
1687
+ HETATM 559 O O . HOH B 2 . ? 34.143 32.231 74.146 1.00 71.67 ? 29 HOH A O 1
1688
+ HETATM 560 O O . HOH B 2 . ? 48.414 35.869 62.350 1.00 51.11 ? 30 HOH A O 1
1689
+ HETATM 561 O O . HOH B 2 . ? 36.853 54.946 73.458 1.00 38.09 ? 31 HOH A O 1
1690
+ HETATM 562 O O . HOH B 2 . ? 33.059 49.582 73.072 1.00 31.06 ? 32 HOH A O 1
1691
+ #
structures/3bsu.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/3dj0.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/3fs0.cif ADDED
@@ -0,0 +1,1727 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_3FS0
2
+ #
3
+ _entry.id 3FS0
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.378
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 3FS0 pdb_00003fs0 10.2210/pdb3fs0/pdb
15
+ NDB AR0101 ? ?
16
+ RCSB RCSB050969 ? ?
17
+ WWPDB D_1000050969 ? ?
18
+ #
19
+ _pdbx_database_related.db_name PDB
20
+ _pdbx_database_related.db_id 3FTM
21
+ _pdbx_database_related.details .
22
+ _pdbx_database_related.content_type unspecified
23
+ #
24
+ _pdbx_database_status.status_code REL
25
+ _pdbx_database_status.entry_id 3FS0
26
+ _pdbx_database_status.recvd_initial_deposition_date 2009-01-08
27
+ _pdbx_database_status.deposit_site RCSB
28
+ _pdbx_database_status.process_site RCSB
29
+ _pdbx_database_status.status_code_sf REL
30
+ _pdbx_database_status.status_code_mr ?
31
+ _pdbx_database_status.SG_entry .
32
+ _pdbx_database_status.pdb_format_compatible Y
33
+ _pdbx_database_status.status_code_cs ?
34
+ _pdbx_database_status.status_code_nmr_data ?
35
+ _pdbx_database_status.methods_development_category ?
36
+ #
37
+ loop_
38
+ _audit_author.name
39
+ _audit_author.pdbx_ordinal
40
+ 'Pitt, J.N.' 1
41
+ ;Ferre-D'Amare, A.R.
42
+ ;
43
+ 2
44
+ #
45
+ _citation.id primary
46
+ _citation.title 'Structure-guided engineering of the regioselectivity of RNA ligase ribozymes.'
47
+ _citation.journal_abbrev J.Am.Chem.Soc.
48
+ _citation.journal_volume 131
49
+ _citation.page_first 3532
50
+ _citation.page_last 3540
51
+ _citation.year 2009
52
+ _citation.journal_id_ASTM JACSAT
53
+ _citation.country US
54
+ _citation.journal_id_ISSN 0002-7863
55
+ _citation.journal_id_CSD 0004
56
+ _citation.book_publisher ?
57
+ _citation.pdbx_database_id_PubMed 19220054
58
+ _citation.pdbx_database_id_DOI 10.1021/ja8067325
59
+ #
60
+ loop_
61
+ _citation_author.citation_id
62
+ _citation_author.name
63
+ _citation_author.ordinal
64
+ _citation_author.identifier_ORCID
65
+ primary 'Pitt, J.N.' 1 ?
66
+ primary
67
+ ;Ferre-D'Amare, A.R.
68
+ ;
69
+ 2 ?
70
+ #
71
+ _cell.entry_id 3FS0
72
+ _cell.length_a 30.040
73
+ _cell.length_b 30.040
74
+ _cell.length_c 59.666
75
+ _cell.angle_alpha 90.00
76
+ _cell.angle_beta 90.00
77
+ _cell.angle_gamma 120.00
78
+ _cell.Z_PDB 3
79
+ _cell.pdbx_unique_axis ?
80
+ _cell.length_a_esd ?
81
+ _cell.length_b_esd ?
82
+ _cell.length_c_esd ?
83
+ _cell.angle_alpha_esd ?
84
+ _cell.angle_beta_esd ?
85
+ _cell.angle_gamma_esd ?
86
+ #
87
+ _symmetry.entry_id 3FS0
88
+ _symmetry.space_group_name_H-M 'P 31'
89
+ _symmetry.pdbx_full_space_group_name_H-M ?
90
+ _symmetry.cell_setting ?
91
+ _symmetry.Int_Tables_number 144
92
+ _symmetry.space_group_name_Hall ?
93
+ #
94
+ loop_
95
+ _entity.id
96
+ _entity.type
97
+ _entity.src_method
98
+ _entity.pdbx_description
99
+ _entity.formula_weight
100
+ _entity.pdbx_number_of_molecules
101
+ _entity.pdbx_ec
102
+ _entity.pdbx_mutation
103
+ _entity.pdbx_fragment
104
+ _entity.details
105
+ 1 polymer syn "5'-R(*GP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3'" 3272.996 1 ? ? ? 'template strand of Class II ligase A4-11'
106
+ 2 polymer syn "5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*C)-3'" 3505.170 1 ? ? ?
107
+ ;Product strand of Class II ligase A4-11, single stranded RNA with one 2'-5' linkage
108
+ ;
109
+ 3 non-polymer syn 'MAGNESIUM ION' 24.305 5 ? ? ? ?
110
+ 4 water nat water 18.015 12 ? ? ? ?
111
+ #
112
+ loop_
113
+ _entity_poly.entity_id
114
+ _entity_poly.type
115
+ _entity_poly.nstd_linkage
116
+ _entity_poly.nstd_monomer
117
+ _entity_poly.pdbx_seq_one_letter_code
118
+ _entity_poly.pdbx_seq_one_letter_code_can
119
+ _entity_poly.pdbx_strand_id
120
+ _entity_poly.pdbx_target_identifier
121
+ 1 polyribonucleotide no no GGUGAGGCUG GGUGAGGCUG A ?
122
+ 2 polyribonucleotide no no CCAGUCGGAAC CCAGUCGGAAC B ?
123
+ #
124
+ loop_
125
+ _entity_poly_seq.entity_id
126
+ _entity_poly_seq.num
127
+ _entity_poly_seq.mon_id
128
+ _entity_poly_seq.hetero
129
+ 1 1 G n
130
+ 1 2 G n
131
+ 1 3 U n
132
+ 1 4 G n
133
+ 1 5 A n
134
+ 1 6 G n
135
+ 1 7 G n
136
+ 1 8 C n
137
+ 1 9 U n
138
+ 1 10 G n
139
+ 2 1 C n
140
+ 2 2 C n
141
+ 2 3 A n
142
+ 2 4 G n
143
+ 2 5 U n
144
+ 2 6 C n
145
+ 2 7 G n
146
+ 2 8 G n
147
+ 2 9 A n
148
+ 2 10 A n
149
+ 2 11 C n
150
+ #
151
+ loop_
152
+ _struct_ref.id
153
+ _struct_ref.db_name
154
+ _struct_ref.db_code
155
+ _struct_ref.entity_id
156
+ _struct_ref.pdbx_seq_one_letter_code
157
+ _struct_ref.pdbx_align_begin
158
+ _struct_ref.pdbx_db_accession
159
+ _struct_ref.pdbx_db_isoform
160
+ 1 GB U26406 1 GGUGAGGCUG 227 U26406 ?
161
+ 2 PDB 3FS0 2 CCAGUCGGAAC 1 3FS0 ?
162
+ #
163
+ loop_
164
+ _struct_ref_seq.align_id
165
+ _struct_ref_seq.ref_id
166
+ _struct_ref_seq.pdbx_PDB_id_code
167
+ _struct_ref_seq.pdbx_strand_id
168
+ _struct_ref_seq.seq_align_beg
169
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code
170
+ _struct_ref_seq.seq_align_end
171
+ _struct_ref_seq.pdbx_seq_align_end_ins_code
172
+ _struct_ref_seq.pdbx_db_accession
173
+ _struct_ref_seq.db_align_beg
174
+ _struct_ref_seq.pdbx_db_align_beg_ins_code
175
+ _struct_ref_seq.db_align_end
176
+ _struct_ref_seq.pdbx_db_align_end_ins_code
177
+ _struct_ref_seq.pdbx_auth_seq_align_beg
178
+ _struct_ref_seq.pdbx_auth_seq_align_end
179
+ 1 1 3FS0 A 1 ? 10 ? U25406 227 ? 236 ? 44 53
180
+ 2 2 3FS0 B 1 ? 11 ? 3FS0 -6 ? 5 ? -6 5
181
+ #
182
+ loop_
183
+ _chem_comp.id
184
+ _chem_comp.type
185
+ _chem_comp.mon_nstd_flag
186
+ _chem_comp.name
187
+ _chem_comp.pdbx_synonyms
188
+ _chem_comp.formula
189
+ _chem_comp.formula_weight
190
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
191
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
192
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
193
+ HOH non-polymer . WATER ? 'H2 O' 18.015
194
+ MG non-polymer . 'MAGNESIUM ION' ? 'Mg 2' 24.305
195
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
196
+ #
197
+ _exptl.entry_id 3FS0
198
+ _exptl.method 'X-RAY DIFFRACTION'
199
+ _exptl.crystals_number 1
200
+ #
201
+ _exptl_crystal.id 1
202
+ _exptl_crystal.density_meas ?
203
+ _exptl_crystal.density_Matthews 2.29
204
+ _exptl_crystal.density_percent_sol 46.36
205
+ _exptl_crystal.description ?
206
+ _exptl_crystal.F_000 ?
207
+ _exptl_crystal.preparation ?
208
+ #
209
+ _exptl_crystal_grow.crystal_id 1
210
+ _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
211
+ _exptl_crystal_grow.temp 295
212
+ _exptl_crystal_grow.temp_details ?
213
+ _exptl_crystal_grow.pH 8.5
214
+ _exptl_crystal_grow.pdbx_details
215
+ '0.2mM RNA duplex, 10mM MgCl2, 25% PEG 4000, 0.2M lithium sulfate, 100mM Tris 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K'
216
+ _exptl_crystal_grow.pdbx_pH_range ?
217
+ #
218
+ loop_
219
+ _exptl_crystal_grow_comp.crystal_id
220
+ _exptl_crystal_grow_comp.id
221
+ _exptl_crystal_grow_comp.sol_id
222
+ _exptl_crystal_grow_comp.name
223
+ _exptl_crystal_grow_comp.volume
224
+ _exptl_crystal_grow_comp.conc
225
+ _exptl_crystal_grow_comp.details
226
+ 1 1 1 MgCl2 ? ? ?
227
+ 1 2 1 'PEG 4000' ? ? ?
228
+ 1 3 1 'lithium sulfate' ? ? ?
229
+ 1 4 1 Tris ? ? ?
230
+ 1 5 2 MgCl2 ? ? ?
231
+ 1 6 2 'PEG 4000' ? ? ?
232
+ 1 7 2 'lithium sulfate' ? ? ?
233
+ 1 8 2 Tris ? ? ?
234
+ #
235
+ _diffrn.id 1
236
+ _diffrn.ambient_temp 100
237
+ _diffrn.ambient_temp_details ?
238
+ _diffrn.crystal_id 1
239
+ #
240
+ _diffrn_detector.diffrn_id 1
241
+ _diffrn_detector.detector CCD
242
+ _diffrn_detector.type 'ADSC QUANTUM 210'
243
+ _diffrn_detector.pdbx_collection_date 2005-10-06
244
+ _diffrn_detector.details ?
245
+ #
246
+ _diffrn_radiation.diffrn_id 1
247
+ _diffrn_radiation.wavelength_id 1
248
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
249
+ _diffrn_radiation.monochromator ?
250
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
251
+ _diffrn_radiation.pdbx_scattering_type x-ray
252
+ #
253
+ _diffrn_radiation_wavelength.id 1
254
+ _diffrn_radiation_wavelength.wavelength 1.0
255
+ _diffrn_radiation_wavelength.wt 1.0
256
+ #
257
+ _diffrn_source.diffrn_id 1
258
+ _diffrn_source.source SYNCHROTRON
259
+ _diffrn_source.type 'ALS BEAMLINE 5.0.1'
260
+ _diffrn_source.pdbx_synchrotron_site ALS
261
+ _diffrn_source.pdbx_synchrotron_beamline 5.0.1
262
+ _diffrn_source.pdbx_wavelength ?
263
+ _diffrn_source.pdbx_wavelength_list 1.0
264
+ #
265
+ _reflns.entry_id 3FS0
266
+ _reflns.observed_criterion_sigma_I 4
267
+ _reflns.observed_criterion_sigma_F ?
268
+ _reflns.d_resolution_low 30
269
+ _reflns.d_resolution_high 2.3
270
+ _reflns.number_obs 2663
271
+ _reflns.number_all ?
272
+ _reflns.percent_possible_obs 99.5
273
+ _reflns.pdbx_Rmerge_I_obs 0.042
274
+ _reflns.pdbx_Rsym_value 0.042
275
+ _reflns.pdbx_netI_over_sigmaI 31.3
276
+ _reflns.B_iso_Wilson_estimate 29.5
277
+ _reflns.pdbx_redundancy 5.7
278
+ _reflns.R_free_details ?
279
+ _reflns.limit_h_max ?
280
+ _reflns.limit_h_min ?
281
+ _reflns.limit_k_max ?
282
+ _reflns.limit_k_min ?
283
+ _reflns.limit_l_max ?
284
+ _reflns.limit_l_min ?
285
+ _reflns.observed_criterion_F_max ?
286
+ _reflns.observed_criterion_F_min ?
287
+ _reflns.pdbx_chi_squared ?
288
+ _reflns.pdbx_scaling_rejects ?
289
+ _reflns.pdbx_diffrn_id 1
290
+ _reflns.pdbx_ordinal 1
291
+ #
292
+ _reflns_shell.d_res_high 2.3
293
+ _reflns_shell.d_res_low 2.38
294
+ _reflns_shell.percent_possible_all 99.6
295
+ _reflns_shell.Rmerge_I_obs 0.307
296
+ _reflns_shell.pdbx_Rsym_value 0.307
297
+ _reflns_shell.meanI_over_sigI_obs 4.6
298
+ _reflns_shell.pdbx_redundancy 5.4
299
+ _reflns_shell.percent_possible_obs ?
300
+ _reflns_shell.number_unique_all 242
301
+ _reflns_shell.number_measured_all ?
302
+ _reflns_shell.number_measured_obs ?
303
+ _reflns_shell.number_unique_obs ?
304
+ _reflns_shell.pdbx_chi_squared ?
305
+ _reflns_shell.pdbx_diffrn_id ?
306
+ _reflns_shell.pdbx_ordinal 1
307
+ #
308
+ _refine.entry_id 3FS0
309
+ _refine.ls_number_reflns_obs 2653
310
+ _refine.ls_number_reflns_all 2661
311
+ _refine.pdbx_ls_sigma_I 0
312
+ _refine.pdbx_ls_sigma_F 0.0
313
+ _refine.pdbx_data_cutoff_high_absF 436790.98
314
+ _refine.pdbx_data_cutoff_low_absF 0.000000
315
+ _refine.pdbx_data_cutoff_high_rms_absF ?
316
+ _refine.ls_d_res_low 23.85
317
+ _refine.ls_d_res_high 2.30
318
+ _refine.ls_percent_reflns_obs 99.7
319
+ _refine.ls_R_factor_obs 0.208
320
+ _refine.ls_R_factor_all ?
321
+ _refine.ls_R_factor_R_work 0.208
322
+ _refine.ls_R_factor_R_free 0.234
323
+ _refine.ls_R_factor_R_free_error 0.015
324
+ _refine.ls_R_factor_R_free_error_details ?
325
+ _refine.ls_percent_reflns_R_free 9.5
326
+ _refine.ls_number_reflns_R_free 252
327
+ _refine.ls_number_parameters ?
328
+ _refine.ls_number_restraints ?
329
+ _refine.occupancy_min ?
330
+ _refine.occupancy_max ?
331
+ _refine.correlation_coeff_Fo_to_Fc ?
332
+ _refine.correlation_coeff_Fo_to_Fc_free ?
333
+ _refine.B_iso_mean 43.4
334
+ _refine.aniso_B[1][1] 9.78
335
+ _refine.aniso_B[2][2] 9.78
336
+ _refine.aniso_B[3][3] -19.56
337
+ _refine.aniso_B[1][2] 10.50
338
+ _refine.aniso_B[1][3] 0.00
339
+ _refine.aniso_B[2][3] 0.00
340
+ _refine.solvent_model_details 'FLAT MODEL'
341
+ _refine.solvent_model_param_ksol 0.3
342
+ _refine.solvent_model_param_bsol 25
343
+ _refine.pdbx_solvent_vdw_probe_radii ?
344
+ _refine.pdbx_solvent_ion_probe_radii ?
345
+ _refine.pdbx_solvent_shrinkage_radii ?
346
+ _refine.pdbx_ls_cross_valid_method THROUGHOUT
347
+ _refine.details ?
348
+ _refine.pdbx_starting_model 'PDB ENTRY 3FTM'
349
+ _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
350
+ _refine.pdbx_isotropic_thermal_model RESTRAINED
351
+ _refine.pdbx_stereochemistry_target_values 'Engh & Huber'
352
+ _refine.pdbx_stereochem_target_val_spec_case ?
353
+ _refine.pdbx_R_Free_selection_details RANDOM
354
+ _refine.pdbx_overall_ESU_R ?
355
+ _refine.pdbx_overall_ESU_R_Free ?
356
+ _refine.overall_SU_ML ?
357
+ _refine.overall_SU_B ?
358
+ _refine.ls_redundancy_reflns_obs ?
359
+ _refine.B_iso_min ?
360
+ _refine.B_iso_max ?
361
+ _refine.overall_SU_R_Cruickshank_DPI ?
362
+ _refine.overall_SU_R_free ?
363
+ _refine.ls_wR_factor_R_free ?
364
+ _refine.ls_wR_factor_R_work ?
365
+ _refine.overall_FOM_free_R_set ?
366
+ _refine.overall_FOM_work_R_set ?
367
+ _refine.pdbx_overall_phase_error ?
368
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
369
+ _refine.pdbx_diffrn_id 1
370
+ _refine.pdbx_TLS_residual_ADP_flag ?
371
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
372
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
373
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
374
+ #
375
+ _refine_analyze.entry_id 3FS0
376
+ _refine_analyze.Luzzati_coordinate_error_obs 0.36
377
+ _refine_analyze.Luzzati_sigma_a_obs 0.44
378
+ _refine_analyze.Luzzati_d_res_low_obs 5.00
379
+ _refine_analyze.Luzzati_coordinate_error_free 0.44
380
+ _refine_analyze.Luzzati_sigma_a_free 0.44
381
+ _refine_analyze.Luzzati_d_res_low_free ?
382
+ _refine_analyze.number_disordered_residues ?
383
+ _refine_analyze.occupancy_sum_hydrogen ?
384
+ _refine_analyze.occupancy_sum_non_hydrogen ?
385
+ _refine_analyze.pdbx_Luzzati_d_res_high_obs ?
386
+ _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
387
+ #
388
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
389
+ _refine_hist.cycle_id LAST
390
+ _refine_hist.pdbx_number_atoms_protein 0
391
+ _refine_hist.pdbx_number_atoms_nucleic_acid 449
392
+ _refine_hist.pdbx_number_atoms_ligand 5
393
+ _refine_hist.number_atoms_solvent 12
394
+ _refine_hist.number_atoms_total 466
395
+ _refine_hist.d_res_high 2.30
396
+ _refine_hist.d_res_low 23.85
397
+ #
398
+ loop_
399
+ _refine_ls_restr.type
400
+ _refine_ls_restr.dev_ideal
401
+ _refine_ls_restr.dev_ideal_target
402
+ _refine_ls_restr.weight
403
+ _refine_ls_restr.number
404
+ _refine_ls_restr.pdbx_refine_id
405
+ _refine_ls_restr.pdbx_restraint_function
406
+ c_bond_d 0.005 ? ? ? 'X-RAY DIFFRACTION' ?
407
+ c_angle_deg 1.2 ? ? ? 'X-RAY DIFFRACTION' ?
408
+ c_dihedral_angle_d 14.9 ? ? ? 'X-RAY DIFFRACTION' ?
409
+ c_improper_angle_d 1.76 ? ? ? 'X-RAY DIFFRACTION' ?
410
+ #
411
+ _refine_ls_shell.pdbx_total_number_of_bins_used 6
412
+ _refine_ls_shell.d_res_high 2.30
413
+ _refine_ls_shell.d_res_low 2.44
414
+ _refine_ls_shell.number_reflns_R_work 378
415
+ _refine_ls_shell.R_factor_R_work 0.360
416
+ _refine_ls_shell.percent_reflns_obs 99.8
417
+ _refine_ls_shell.R_factor_R_free 0.382
418
+ _refine_ls_shell.R_factor_R_free_error 0.062
419
+ _refine_ls_shell.percent_reflns_R_free 9.1
420
+ _refine_ls_shell.number_reflns_R_free 38
421
+ _refine_ls_shell.number_reflns_all ?
422
+ _refine_ls_shell.R_factor_all ?
423
+ _refine_ls_shell.number_reflns_obs ?
424
+ _refine_ls_shell.redundancy_reflns_obs ?
425
+ _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
426
+ #
427
+ loop_
428
+ _pdbx_xplor_file.serial_no
429
+ _pdbx_xplor_file.param_file
430
+ _pdbx_xplor_file.topol_file
431
+ _pdbx_xplor_file.pdbx_refine_id
432
+ 1 protein_rep.param protein.top 'X-RAY DIFFRACTION'
433
+ 2 pitt.param pitt.top 'X-RAY DIFFRACTION'
434
+ 3 water_rep.param water.top 'X-RAY DIFFRACTION'
435
+ 4 ion.param ion.top 'X-RAY DIFFRACTION'
436
+ #
437
+ _struct.entry_id 3FS0
438
+ _struct.title 'Class II ligase ribozyme product-template duplex, structure 2'
439
+ _struct.pdbx_model_details ?
440
+ _struct.pdbx_CASP_flag N
441
+ _struct.pdbx_model_type_details ?
442
+ #
443
+ _struct_keywords.entry_id 3FS0
444
+ _struct_keywords.pdbx_keywords RNA
445
+ _struct_keywords.text
446
+ ;ribozyme, ligase, 2'-5', 2-5, 2p5, RNA
447
+ ;
448
+ #
449
+ loop_
450
+ _struct_asym.id
451
+ _struct_asym.pdbx_blank_PDB_chainid_flag
452
+ _struct_asym.pdbx_modified
453
+ _struct_asym.entity_id
454
+ _struct_asym.details
455
+ A N N 1 ?
456
+ B N N 2 ?
457
+ C N N 3 ?
458
+ D N N 3 ?
459
+ E N N 3 ?
460
+ F N N 3 ?
461
+ G N N 3 ?
462
+ H N N 4 ?
463
+ I N N 4 ?
464
+ #
465
+ _struct_biol.id 1
466
+ _struct_biol.details ?
467
+ #
468
+ loop_
469
+ _struct_conn.id
470
+ _struct_conn.conn_type_id
471
+ _struct_conn.pdbx_leaving_atom_flag
472
+ _struct_conn.pdbx_PDB_id
473
+ _struct_conn.ptnr1_label_asym_id
474
+ _struct_conn.ptnr1_label_comp_id
475
+ _struct_conn.ptnr1_label_seq_id
476
+ _struct_conn.ptnr1_label_atom_id
477
+ _struct_conn.pdbx_ptnr1_label_alt_id
478
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
479
+ _struct_conn.pdbx_ptnr1_standard_comp_id
480
+ _struct_conn.ptnr1_symmetry
481
+ _struct_conn.ptnr2_label_asym_id
482
+ _struct_conn.ptnr2_label_comp_id
483
+ _struct_conn.ptnr2_label_seq_id
484
+ _struct_conn.ptnr2_label_atom_id
485
+ _struct_conn.pdbx_ptnr2_label_alt_id
486
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
487
+ _struct_conn.ptnr1_auth_asym_id
488
+ _struct_conn.ptnr1_auth_comp_id
489
+ _struct_conn.ptnr1_auth_seq_id
490
+ _struct_conn.ptnr2_auth_asym_id
491
+ _struct_conn.ptnr2_auth_comp_id
492
+ _struct_conn.ptnr2_auth_seq_id
493
+ _struct_conn.ptnr2_symmetry
494
+ _struct_conn.pdbx_ptnr3_label_atom_id
495
+ _struct_conn.pdbx_ptnr3_label_seq_id
496
+ _struct_conn.pdbx_ptnr3_label_comp_id
497
+ _struct_conn.pdbx_ptnr3_label_asym_id
498
+ _struct_conn.pdbx_ptnr3_label_alt_id
499
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
500
+ _struct_conn.details
501
+ _struct_conn.pdbx_dist_value
502
+ _struct_conn.pdbx_value_order
503
+ _struct_conn.pdbx_role
504
+ covale1 covale one ? B C 6 "O2'" ? ? ? 1_555 B G 7 P ? ? B C -1 B G 1 1_555 ? ? ? ? ? ? ? 1.604 ? ?
505
+ hydrog1 hydrog ? ? A G 2 N1 ? ? ? 1_555 B C 11 N3 ? ? A G 45 B C 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
506
+ hydrog2 hydrog ? ? A G 2 N2 ? ? ? 1_555 B C 11 O2 ? ? A G 45 B C 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
507
+ hydrog3 hydrog ? ? A G 2 O6 ? ? ? 1_555 B C 11 N4 ? ? A G 45 B C 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
508
+ hydrog4 hydrog ? ? A U 3 N3 ? ? ? 1_555 B A 10 N1 ? ? A U 46 B A 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
509
+ hydrog5 hydrog ? ? A U 3 O4 ? ? ? 1_555 B A 10 N6 ? ? A U 46 B A 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
510
+ hydrog6 hydrog ? ? A A 5 N6 ? ? ? 1_555 B G 7 N3 ? ? A A 48 B G 1 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
511
+ hydrog7 hydrog ? ? A A 5 N7 ? ? ? 1_555 B G 7 N2 ? ? A A 48 B G 1 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
512
+ hydrog8 hydrog ? ? A G 6 N1 ? ? ? 1_555 B C 6 N3 ? ? A G 49 B C -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
513
+ hydrog9 hydrog ? ? A G 6 N2 ? ? ? 1_555 B C 6 O2 ? ? A G 49 B C -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
514
+ hydrog10 hydrog ? ? A G 6 O6 ? ? ? 1_555 B C 6 N4 ? ? A G 49 B C -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
515
+ hydrog11 hydrog ? ? A G 7 N1 ? ? ? 1_555 B U 5 O2 ? ? A G 50 B U -2 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
516
+ hydrog12 hydrog ? ? A G 7 O6 ? ? ? 1_555 B U 5 N3 ? ? A G 50 B U -2 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
517
+ hydrog13 hydrog ? ? A C 8 N3 ? ? ? 1_555 B G 4 N1 ? ? A C 51 B G -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
518
+ hydrog14 hydrog ? ? A C 8 N4 ? ? ? 1_555 B G 4 O6 ? ? A C 51 B G -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
519
+ hydrog15 hydrog ? ? A C 8 O2 ? ? ? 1_555 B G 4 N2 ? ? A C 51 B G -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
520
+ hydrog16 hydrog ? ? A U 9 N3 ? ? ? 1_555 B A 3 N1 ? ? A U 52 B A -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
521
+ hydrog17 hydrog ? ? A U 9 O4 ? ? ? 1_555 B A 3 N6 ? ? A U 52 B A -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
522
+ hydrog18 hydrog ? ? A G 10 N1 ? ? ? 1_555 B C 2 N3 ? ? A G 53 B C -5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
523
+ hydrog19 hydrog ? ? A G 10 N2 ? ? ? 1_555 B C 2 O2 ? ? A G 53 B C -5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
524
+ hydrog20 hydrog ? ? A G 10 O6 ? ? ? 1_555 B C 2 N4 ? ? A G 53 B C -5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
525
+ #
526
+ loop_
527
+ _struct_conn_type.id
528
+ _struct_conn_type.criteria
529
+ _struct_conn_type.reference
530
+ covale ? ?
531
+ hydrog ? ?
532
+ #
533
+ loop_
534
+ _struct_site.id
535
+ _struct_site.pdbx_evidence_code
536
+ _struct_site.pdbx_auth_asym_id
537
+ _struct_site.pdbx_auth_comp_id
538
+ _struct_site.pdbx_auth_seq_id
539
+ _struct_site.pdbx_auth_ins_code
540
+ _struct_site.pdbx_num_residues
541
+ _struct_site.details
542
+ AC1 Software A MG 103 ? 4 'BINDING SITE FOR RESIDUE MG A 103'
543
+ AC2 Software B MG 108 ? 2 'BINDING SITE FOR RESIDUE MG B 108'
544
+ AC3 Software B MG 109 ? 1 'BINDING SITE FOR RESIDUE MG B 109'
545
+ AC4 Software B MG 104 ? 2 'BINDING SITE FOR RESIDUE MG B 104'
546
+ AC5 Software B MG 140 ? 6 'BINDING SITE FOR RESIDUE MG B 140'
547
+ #
548
+ loop_
549
+ _struct_site_gen.id
550
+ _struct_site_gen.site_id
551
+ _struct_site_gen.pdbx_num_res
552
+ _struct_site_gen.label_comp_id
553
+ _struct_site_gen.label_asym_id
554
+ _struct_site_gen.label_seq_id
555
+ _struct_site_gen.pdbx_auth_ins_code
556
+ _struct_site_gen.auth_comp_id
557
+ _struct_site_gen.auth_asym_id
558
+ _struct_site_gen.auth_seq_id
559
+ _struct_site_gen.label_atom_id
560
+ _struct_site_gen.label_alt_id
561
+ _struct_site_gen.symmetry
562
+ _struct_site_gen.details
563
+ 1 AC1 4 A A 5 ? A A 48 . ? 1_555 ?
564
+ 2 AC1 4 U A 9 ? U A 52 . ? 2_665 ?
565
+ 3 AC1 4 G B 8 ? G B 2 . ? 1_555 ?
566
+ 4 AC1 4 HOH I . ? HOH B 130 . ? 2_665 ?
567
+ 5 AC2 2 U B 5 ? U B -2 . ? 1_555 ?
568
+ 6 AC2 2 HOH I . ? HOH B 137 . ? 1_555 ?
569
+ 7 AC3 1 A B 10 ? A B 4 . ? 1_555 ?
570
+ 8 AC4 2 C B 1 ? C B -6 . ? 1_665 ?
571
+ 9 AC4 2 C B 11 ? C B 5 . ? 1_555 ?
572
+ 10 AC5 6 U A 3 ? U A 46 . ? 1_555 ?
573
+ 11 AC5 6 G A 4 ? G A 47 . ? 1_555 ?
574
+ 12 AC5 6 G B 8 ? G B 2 . ? 1_555 ?
575
+ 13 AC5 6 A B 9 ? A B 3 . ? 1_555 ?
576
+ 14 AC5 6 A B 10 ? A B 4 . ? 1_555 ?
577
+ 15 AC5 6 HOH I . ? HOH B 112 . ? 1_555 ?
578
+ #
579
+ _database_PDB_matrix.entry_id 3FS0
580
+ _database_PDB_matrix.origx[1][1] 1.000000
581
+ _database_PDB_matrix.origx[1][2] 0.000000
582
+ _database_PDB_matrix.origx[1][3] 0.000000
583
+ _database_PDB_matrix.origx[2][1] 0.000000
584
+ _database_PDB_matrix.origx[2][2] 1.000000
585
+ _database_PDB_matrix.origx[2][3] 0.000000
586
+ _database_PDB_matrix.origx[3][1] 0.000000
587
+ _database_PDB_matrix.origx[3][2] 0.000000
588
+ _database_PDB_matrix.origx[3][3] 1.000000
589
+ _database_PDB_matrix.origx_vector[1] 0.00000
590
+ _database_PDB_matrix.origx_vector[2] 0.00000
591
+ _database_PDB_matrix.origx_vector[3] 0.00000
592
+ #
593
+ _atom_sites.entry_id 3FS0
594
+ _atom_sites.fract_transf_matrix[1][1] 0.033289
595
+ _atom_sites.fract_transf_matrix[1][2] 0.019219
596
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
597
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
598
+ _atom_sites.fract_transf_matrix[2][2] 0.038439
599
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
600
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
601
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
602
+ _atom_sites.fract_transf_matrix[3][3] 0.016760
603
+ _atom_sites.fract_transf_vector[1] 0.00000
604
+ _atom_sites.fract_transf_vector[2] 0.00000
605
+ _atom_sites.fract_transf_vector[3] 0.00000
606
+ #
607
+ loop_
608
+ _atom_type.symbol
609
+ C
610
+ MG
611
+ N
612
+ O
613
+ P
614
+ #
615
+ loop_
616
+ _atom_site.group_PDB
617
+ _atom_site.id
618
+ _atom_site.type_symbol
619
+ _atom_site.label_atom_id
620
+ _atom_site.label_alt_id
621
+ _atom_site.label_comp_id
622
+ _atom_site.label_asym_id
623
+ _atom_site.label_entity_id
624
+ _atom_site.label_seq_id
625
+ _atom_site.pdbx_PDB_ins_code
626
+ _atom_site.Cartn_x
627
+ _atom_site.Cartn_y
628
+ _atom_site.Cartn_z
629
+ _atom_site.occupancy
630
+ _atom_site.B_iso_or_equiv
631
+ _atom_site.pdbx_formal_charge
632
+ _atom_site.auth_seq_id
633
+ _atom_site.auth_comp_id
634
+ _atom_site.auth_asym_id
635
+ _atom_site.auth_atom_id
636
+ _atom_site.pdbx_PDB_model_num
637
+ ATOM 1 O "O5'" . G A 1 1 ? 10.528 29.374 38.902 1.00 53.70 ? 44 G A "O5'" 1
638
+ ATOM 2 C "C5'" . G A 1 1 ? 11.034 28.785 37.700 1.00 48.27 ? 44 G A "C5'" 1
639
+ ATOM 3 C "C4'" . G A 1 1 ? 12.501 28.450 37.819 1.00 45.50 ? 44 G A "C4'" 1
640
+ ATOM 4 O "O4'" . G A 1 1 ? 13.211 29.620 38.300 1.00 43.55 ? 44 G A "O4'" 1
641
+ ATOM 5 C "C3'" . G A 1 1 ? 12.856 27.362 38.822 1.00 43.69 ? 44 G A "C3'" 1
642
+ ATOM 6 O "O3'" . G A 1 1 ? 12.738 26.068 38.246 1.00 45.27 ? 44 G A "O3'" 1
643
+ ATOM 7 C "C2'" . G A 1 1 ? 14.306 27.690 39.139 1.00 43.35 ? 44 G A "C2'" 1
644
+ ATOM 8 O "O2'" . G A 1 1 ? 15.205 27.263 38.136 1.00 38.52 ? 44 G A "O2'" 1
645
+ ATOM 9 C "C1'" . G A 1 1 ? 14.262 29.218 39.166 1.00 44.07 ? 44 G A "C1'" 1
646
+ ATOM 10 N N9 . G A 1 1 ? 13.999 29.751 40.503 1.00 44.09 ? 44 G A N9 1
647
+ ATOM 11 C C8 . G A 1 1 ? 12.887 30.443 40.920 1.00 44.29 ? 44 G A C8 1
648
+ ATOM 12 N N7 . G A 1 1 ? 12.947 30.803 42.174 1.00 44.87 ? 44 G A N7 1
649
+ ATOM 13 C C5 . G A 1 1 ? 14.168 30.314 42.615 1.00 42.97 ? 44 G A C5 1
650
+ ATOM 14 C C6 . G A 1 1 ? 14.780 30.396 43.890 1.00 41.91 ? 44 G A C6 1
651
+ ATOM 15 O O6 . G A 1 1 ? 14.352 30.935 44.913 1.00 41.96 ? 44 G A O6 1
652
+ ATOM 16 N N1 . G A 1 1 ? 16.020 29.768 43.903 1.00 42.53 ? 44 G A N1 1
653
+ ATOM 17 C C2 . G A 1 1 ? 16.599 29.141 42.826 1.00 41.89 ? 44 G A C2 1
654
+ ATOM 18 N N2 . G A 1 1 ? 17.809 28.597 43.034 1.00 42.31 ? 44 G A N2 1
655
+ ATOM 19 N N3 . G A 1 1 ? 16.035 29.053 41.632 1.00 40.99 ? 44 G A N3 1
656
+ ATOM 20 C C4 . G A 1 1 ? 14.830 29.661 41.598 1.00 42.20 ? 44 G A C4 1
657
+ ATOM 21 P P . G A 1 2 ? 12.431 24.802 39.185 1.00 44.65 ? 45 G A P 1
658
+ ATOM 22 O OP1 . G A 1 2 ? 12.327 23.597 38.323 1.00 47.25 ? 45 G A OP1 1
659
+ ATOM 23 O OP2 . G A 1 2 ? 11.284 25.180 40.056 1.00 46.07 ? 45 G A OP2 1
660
+ ATOM 24 O "O5'" . G A 1 2 ? 13.741 24.637 40.075 1.00 44.41 ? 45 G A "O5'" 1
661
+ ATOM 25 C "C5'" . G A 1 2 ? 14.947 24.118 39.509 1.00 43.65 ? 45 G A "C5'" 1
662
+ ATOM 26 C "C4'" . G A 1 2 ? 15.996 23.932 40.578 1.00 43.47 ? 45 G A "C4'" 1
663
+ ATOM 27 O "O4'" . G A 1 2 ? 16.248 25.211 41.217 1.00 44.84 ? 45 G A "O4'" 1
664
+ ATOM 28 C "C3'" . G A 1 2 ? 15.618 23.017 41.732 1.00 45.15 ? 45 G A "C3'" 1
665
+ ATOM 29 O "O3'" . G A 1 2 ? 15.843 21.647 41.393 1.00 46.44 ? 45 G A "O3'" 1
666
+ ATOM 30 C "C2'" . G A 1 2 ? 16.541 23.505 42.848 1.00 43.14 ? 45 G A "C2'" 1
667
+ ATOM 31 O "O2'" . G A 1 2 ? 17.866 23.024 42.743 1.00 43.60 ? 45 G A "O2'" 1
668
+ ATOM 32 C "C1'" . G A 1 2 ? 16.560 25.009 42.586 1.00 43.39 ? 45 G A "C1'" 1
669
+ ATOM 33 N N9 . G A 1 2 ? 15.622 25.781 43.401 1.00 43.98 ? 45 G A N9 1
670
+ ATOM 34 C C8 . G A 1 2 ? 14.425 26.331 43.009 1.00 43.42 ? 45 G A C8 1
671
+ ATOM 35 N N7 . G A 1 2 ? 13.833 27.003 43.957 1.00 42.38 ? 45 G A N7 1
672
+ ATOM 36 C C5 . G A 1 2 ? 14.684 26.879 45.047 1.00 43.34 ? 45 G A C5 1
673
+ ATOM 37 C C6 . G A 1 2 ? 14.569 27.396 46.368 1.00 43.40 ? 45 G A C6 1
674
+ ATOM 38 O O6 . G A 1 2 ? 13.659 28.088 46.851 1.00 39.87 ? 45 G A O6 1
675
+ ATOM 39 N N1 . G A 1 2 ? 15.656 27.026 47.155 1.00 44.20 ? 45 G A N1 1
676
+ ATOM 40 C C2 . G A 1 2 ? 16.715 26.251 46.731 1.00 47.43 ? 45 G A C2 1
677
+ ATOM 41 N N2 . G A 1 2 ? 17.668 25.987 47.644 1.00 48.35 ? 45 G A N2 1
678
+ ATOM 42 N N3 . G A 1 2 ? 16.833 25.767 45.504 1.00 46.12 ? 45 G A N3 1
679
+ ATOM 43 C C4 . G A 1 2 ? 15.789 26.120 44.722 1.00 44.58 ? 45 G A C4 1
680
+ ATOM 44 P P . U A 1 3 ? 14.849 20.514 41.958 1.00 46.36 ? 46 U A P 1
681
+ ATOM 45 O OP1 . U A 1 3 ? 15.216 19.211 41.346 1.00 46.32 ? 46 U A OP1 1
682
+ ATOM 46 O OP2 . U A 1 3 ? 13.453 21.020 41.829 1.00 41.68 ? 46 U A OP2 1
683
+ ATOM 47 O "O5'" . U A 1 3 ? 15.211 20.445 43.510 1.00 47.24 ? 46 U A "O5'" 1
684
+ ATOM 48 C "C5'" . U A 1 3 ? 16.511 20.048 43.949 1.00 47.87 ? 46 U A "C5'" 1
685
+ ATOM 49 C "C4'" . U A 1 3 ? 16.641 20.228 45.450 1.00 50.53 ? 46 U A "C4'" 1
686
+ ATOM 50 O "O4'" . U A 1 3 ? 16.629 21.642 45.780 1.00 52.46 ? 46 U A "O4'" 1
687
+ ATOM 51 C "C3'" . U A 1 3 ? 15.516 19.650 46.295 1.00 50.90 ? 46 U A "C3'" 1
688
+ ATOM 52 O "O3'" . U A 1 3 ? 15.699 18.252 46.499 1.00 49.40 ? 46 U A "O3'" 1
689
+ ATOM 53 C "C2'" . U A 1 3 ? 15.628 20.452 47.593 1.00 52.58 ? 46 U A "C2'" 1
690
+ ATOM 54 O "O2'" . U A 1 3 ? 16.571 19.959 48.526 1.00 53.79 ? 46 U A "O2'" 1
691
+ ATOM 55 C "C1'" . U A 1 3 ? 16.088 21.820 47.079 1.00 51.57 ? 46 U A "C1'" 1
692
+ ATOM 56 N N1 . U A 1 3 ? 15.000 22.810 47.028 1.00 50.84 ? 46 U A N1 1
693
+ ATOM 57 C C2 . U A 1 3 ? 14.834 23.612 48.141 1.00 49.84 ? 46 U A C2 1
694
+ ATOM 58 O O2 . U A 1 3 ? 15.571 23.554 49.115 1.00 52.38 ? 46 U A O2 1
695
+ ATOM 59 N N3 . U A 1 3 ? 13.781 24.488 48.076 1.00 48.11 ? 46 U A N3 1
696
+ ATOM 60 C C4 . U A 1 3 ? 12.896 24.651 47.038 1.00 48.66 ? 46 U A C4 1
697
+ ATOM 61 O O4 . U A 1 3 ? 11.972 25.465 47.155 1.00 47.80 ? 46 U A O4 1
698
+ ATOM 62 C C5 . U A 1 3 ? 13.141 23.802 45.909 1.00 48.95 ? 46 U A C5 1
699
+ ATOM 63 C C6 . U A 1 3 ? 14.161 22.931 45.941 1.00 49.54 ? 46 U A C6 1
700
+ ATOM 64 P P . G A 1 4 ? 14.428 17.269 46.464 1.00 50.36 ? 47 G A P 1
701
+ ATOM 65 O OP1 . G A 1 4 ? 14.921 15.897 46.778 1.00 50.83 ? 47 G A OP1 1
702
+ ATOM 66 O OP2 . G A 1 4 ? 13.699 17.506 45.192 1.00 47.03 ? 47 G A OP2 1
703
+ ATOM 67 O "O5'" . G A 1 4 ? 13.508 17.779 47.670 1.00 48.59 ? 47 G A "O5'" 1
704
+ ATOM 68 C "C5'" . G A 1 4 ? 14.005 17.806 49.014 1.00 46.61 ? 47 G A "C5'" 1
705
+ ATOM 69 C "C4'" . G A 1 4 ? 12.889 18.097 50.007 1.00 45.15 ? 47 G A "C4'" 1
706
+ ATOM 70 O "O4'" . G A 1 4 ? 12.365 19.440 49.807 1.00 44.82 ? 47 G A "O4'" 1
707
+ ATOM 71 C "C3'" . G A 1 4 ? 11.704 17.143 49.810 1.00 44.73 ? 47 G A "C3'" 1
708
+ ATOM 72 O "O3'" . G A 1 4 ? 11.161 16.794 51.086 1.00 48.35 ? 47 G A "O3'" 1
709
+ ATOM 73 C "C2'" . G A 1 4 ? 10.706 17.922 48.949 1.00 44.03 ? 47 G A "C2'" 1
710
+ ATOM 74 O "O2'" . G A 1 4 ? 9.350 17.676 49.249 1.00 40.52 ? 47 G A "O2'" 1
711
+ ATOM 75 C "C1'" . G A 1 4 ? 11.038 19.352 49.369 1.00 43.14 ? 47 G A "C1'" 1
712
+ ATOM 76 N N9 . G A 1 4 ? 10.630 20.522 48.602 1.00 43.95 ? 47 G A N9 1
713
+ ATOM 77 C C8 . G A 1 4 ? 9.870 21.558 49.087 1.00 44.72 ? 47 G A C8 1
714
+ ATOM 78 N N7 . G A 1 4 ? 9.536 22.423 48.174 1.00 45.22 ? 47 G A N7 1
715
+ ATOM 79 C C5 . G A 1 4 ? 10.135 21.946 47.019 1.00 45.38 ? 47 G A C5 1
716
+ ATOM 80 C C6 . G A 1 4 ? 10.113 22.461 45.714 1.00 45.40 ? 47 G A C6 1
717
+ ATOM 81 O O6 . G A 1 4 ? 9.533 23.467 45.298 1.00 48.81 ? 47 G A O6 1
718
+ ATOM 82 N N1 . G A 1 4 ? 10.861 21.677 44.843 1.00 46.30 ? 47 G A N1 1
719
+ ATOM 83 C C2 . G A 1 4 ? 11.543 20.536 45.192 1.00 45.10 ? 47 G A C2 1
720
+ ATOM 84 N N2 . G A 1 4 ? 12.219 19.925 44.207 1.00 43.99 ? 47 G A N2 1
721
+ ATOM 85 N N3 . G A 1 4 ? 11.562 20.036 46.416 1.00 44.49 ? 47 G A N3 1
722
+ ATOM 86 C C4 . G A 1 4 ? 10.840 20.787 47.273 1.00 44.46 ? 47 G A C4 1
723
+ ATOM 87 P P . A A 1 5 ? 11.088 15.270 51.581 1.00 49.22 ? 48 A A P 1
724
+ ATOM 88 O OP1 . A A 1 5 ? 12.399 14.938 52.204 1.00 45.08 ? 48 A A OP1 1
725
+ ATOM 89 O OP2 . A A 1 5 ? 10.552 14.421 50.474 1.00 48.55 ? 48 A A OP2 1
726
+ ATOM 90 O "O5'" . A A 1 5 ? 9.999 15.356 52.745 1.00 45.33 ? 48 A A "O5'" 1
727
+ ATOM 91 C "C5'" . A A 1 5 ? 8.621 15.599 52.449 1.00 43.31 ? 48 A A "C5'" 1
728
+ ATOM 92 C "C4'" . A A 1 5 ? 7.967 16.411 53.550 1.00 41.54 ? 48 A A "C4'" 1
729
+ ATOM 93 O "O4'" . A A 1 5 ? 8.418 17.799 53.482 1.00 40.25 ? 48 A A "O4'" 1
730
+ ATOM 94 C "C3'" . A A 1 5 ? 6.458 16.522 53.424 1.00 40.94 ? 48 A A "C3'" 1
731
+ ATOM 95 O "O3'" . A A 1 5 ? 5.798 15.403 53.982 1.00 42.15 ? 48 A A "O3'" 1
732
+ ATOM 96 C "C2'" . A A 1 5 ? 6.164 17.791 54.206 1.00 43.22 ? 48 A A "C2'" 1
733
+ ATOM 97 O "O2'" . A A 1 5 ? 6.164 17.598 55.608 1.00 43.88 ? 48 A A "O2'" 1
734
+ ATOM 98 C "C1'" . A A 1 5 ? 7.332 18.677 53.769 1.00 40.71 ? 48 A A "C1'" 1
735
+ ATOM 99 N N9 . A A 1 5 ? 6.983 19.423 52.550 1.00 40.47 ? 48 A A N9 1
736
+ ATOM 100 C C8 . A A 1 5 ? 7.483 19.254 51.285 1.00 39.60 ? 48 A A C8 1
737
+ ATOM 101 N N7 . A A 1 5 ? 6.924 20.028 50.385 1.00 38.88 ? 48 A A N7 1
738
+ ATOM 102 C C5 . A A 1 5 ? 6.003 20.770 51.109 1.00 39.15 ? 48 A A C5 1
739
+ ATOM 103 C C6 . A A 1 5 ? 5.088 21.783 50.729 1.00 39.43 ? 48 A A C6 1
740
+ ATOM 104 N N6 . A A 1 5 ? 4.944 22.226 49.473 1.00 37.66 ? 48 A A N6 1
741
+ ATOM 105 N N1 . A A 1 5 ? 4.320 22.329 51.697 1.00 37.98 ? 48 A A N1 1
742
+ ATOM 106 C C2 . A A 1 5 ? 4.468 21.883 52.952 1.00 38.94 ? 48 A A C2 1
743
+ ATOM 107 N N3 . A A 1 5 ? 5.290 20.942 53.428 1.00 38.10 ? 48 A A N3 1
744
+ ATOM 108 C C4 . A A 1 5 ? 6.038 20.420 52.445 1.00 38.56 ? 48 A A C4 1
745
+ ATOM 109 P P . G A 1 6 ? 4.738 14.593 53.093 1.00 45.67 ? 49 G A P 1
746
+ ATOM 110 O OP1 . G A 1 6 ? 4.095 13.537 53.919 1.00 47.40 ? 49 G A OP1 1
747
+ ATOM 111 O OP2 . G A 1 6 ? 5.455 14.214 51.854 1.00 44.85 ? 49 G A OP2 1
748
+ ATOM 112 O "O5'" . G A 1 6 ? 3.618 15.670 52.744 1.00 42.44 ? 49 G A "O5'" 1
749
+ ATOM 113 C "C5'" . G A 1 6 ? 2.846 16.273 53.774 1.00 41.51 ? 49 G A "C5'" 1
750
+ ATOM 114 C "C4'" . G A 1 6 ? 2.099 17.469 53.234 1.00 42.04 ? 49 G A "C4'" 1
751
+ ATOM 115 O "O4'" . G A 1 6 ? 3.059 18.374 52.625 1.00 44.29 ? 49 G A "O4'" 1
752
+ ATOM 116 C "C3'" . G A 1 6 ? 1.117 17.180 52.114 1.00 41.94 ? 49 G A "C3'" 1
753
+ ATOM 117 O "O3'" . G A 1 6 ? -0.149 16.762 52.614 1.00 43.62 ? 49 G A "O3'" 1
754
+ ATOM 118 C "C2'" . G A 1 6 ? 1.034 18.526 51.407 1.00 42.93 ? 49 G A "C2'" 1
755
+ ATOM 119 O "O2'" . G A 1 6 ? 0.216 19.468 52.071 1.00 42.95 ? 49 G A "O2'" 1
756
+ ATOM 120 C "C1'" . G A 1 6 ? 2.488 18.981 51.475 1.00 41.45 ? 49 G A "C1'" 1
757
+ ATOM 121 N N9 . G A 1 6 ? 3.276 18.602 50.300 1.00 38.55 ? 49 G A N9 1
758
+ ATOM 122 C C8 . G A 1 6 ? 4.325 17.715 50.249 1.00 38.02 ? 49 G A C8 1
759
+ ATOM 123 N N7 . G A 1 6 ? 4.851 17.611 49.057 1.00 35.83 ? 49 G A N7 1
760
+ ATOM 124 C C5 . G A 1 6 ? 4.098 18.474 48.271 1.00 34.33 ? 49 G A C5 1
761
+ ATOM 125 C C6 . G A 1 6 ? 4.196 18.775 46.892 1.00 33.61 ? 49 G A C6 1
762
+ ATOM 126 O O6 . G A 1 6 ? 4.993 18.317 46.066 1.00 28.50 ? 49 G A O6 1
763
+ ATOM 127 N N1 . G A 1 6 ? 3.235 19.709 46.500 1.00 32.65 ? 49 G A N1 1
764
+ ATOM 128 C C2 . G A 1 6 ? 2.296 20.277 47.338 1.00 33.25 ? 49 G A C2 1
765
+ ATOM 129 N N2 . G A 1 6 ? 1.451 21.174 46.794 1.00 30.97 ? 49 G A N2 1
766
+ ATOM 130 N N3 . G A 1 6 ? 2.192 19.990 48.620 1.00 32.38 ? 49 G A N3 1
767
+ ATOM 131 C C4 . G A 1 6 ? 3.118 19.090 49.019 1.00 34.82 ? 49 G A C4 1
768
+ ATOM 132 P P . G A 1 7 ? -1.132 15.908 51.671 1.00 44.13 ? 50 G A P 1
769
+ ATOM 133 O OP1 . G A 1 7 ? -2.319 15.478 52.449 1.00 44.60 ? 50 G A OP1 1
770
+ ATOM 134 O OP2 . G A 1 7 ? -0.299 14.883 50.977 1.00 43.91 ? 50 G A OP2 1
771
+ ATOM 135 O "O5'" . G A 1 7 ? -1.610 16.969 50.587 1.00 41.70 ? 50 G A "O5'" 1
772
+ ATOM 136 C "C5'" . G A 1 7 ? -2.428 18.070 50.951 1.00 41.91 ? 50 G A "C5'" 1
773
+ ATOM 137 C "C4'" . G A 1 7 ? -2.908 18.786 49.712 1.00 40.47 ? 50 G A "C4'" 1
774
+ ATOM 138 O "O4'" . G A 1 7 ? -1.768 19.399 49.053 1.00 40.74 ? 50 G A "O4'" 1
775
+ ATOM 139 C "C3'" . G A 1 7 ? -3.484 17.893 48.625 1.00 40.94 ? 50 G A "C3'" 1
776
+ ATOM 140 O "O3'" . G A 1 7 ? -4.833 17.499 48.856 1.00 42.27 ? 50 G A "O3'" 1
777
+ ATOM 141 C "C2'" . G A 1 7 ? -3.338 18.773 47.399 1.00 38.61 ? 50 G A "C2'" 1
778
+ ATOM 142 O "O2'" . G A 1 7 ? -4.302 19.812 47.335 1.00 38.62 ? 50 G A "O2'" 1
779
+ ATOM 143 C "C1'" . G A 1 7 ? -1.957 19.370 47.647 1.00 36.80 ? 50 G A "C1'" 1
780
+ ATOM 144 N N9 . G A 1 7 ? -0.881 18.596 47.029 1.00 34.66 ? 50 G A N9 1
781
+ ATOM 145 C C8 . G A 1 7 ? -0.007 17.715 47.629 1.00 32.67 ? 50 G A C8 1
782
+ ATOM 146 N N7 . G A 1 7 ? 0.865 17.212 46.797 1.00 29.26 ? 50 G A N7 1
783
+ ATOM 147 C C5 . G A 1 7 ? 0.543 17.786 45.573 1.00 31.04 ? 50 G A C5 1
784
+ ATOM 148 C C6 . G A 1 7 ? 1.144 17.632 44.282 1.00 31.03 ? 50 G A C6 1
785
+ ATOM 149 O O6 . G A 1 7 ? 2.117 16.938 43.959 1.00 28.79 ? 50 G A O6 1
786
+ ATOM 150 N N1 . G A 1 7 ? 0.491 18.401 43.318 1.00 30.29 ? 50 G A N1 1
787
+ ATOM 151 C C2 . G A 1 7 ? -0.599 19.213 43.555 1.00 31.14 ? 50 G A C2 1
788
+ ATOM 152 N N2 . G A 1 7 ? -1.104 19.872 42.501 1.00 26.68 ? 50 G A N2 1
789
+ ATOM 153 N N3 . G A 1 7 ? -1.157 19.367 44.744 1.00 31.38 ? 50 G A N3 1
790
+ ATOM 154 C C4 . G A 1 7 ? -0.539 18.632 45.699 1.00 31.65 ? 50 G A C4 1
791
+ ATOM 155 P P . C A 1 8 ? -5.348 16.091 48.277 1.00 45.06 ? 51 C A P 1
792
+ ATOM 156 O OP1 . C A 1 8 ? -6.763 15.898 48.717 1.00 45.93 ? 51 C A OP1 1
793
+ ATOM 157 O OP2 . C A 1 8 ? -4.324 15.056 48.615 1.00 45.72 ? 51 C A OP2 1
794
+ ATOM 158 O "O5'" . C A 1 8 ? -5.295 16.292 46.694 1.00 46.42 ? 51 C A "O5'" 1
795
+ ATOM 159 C "C5'" . C A 1 8 ? -6.202 17.170 46.025 1.00 45.40 ? 51 C A "C5'" 1
796
+ ATOM 160 C "C4'" . C A 1 8 ? -5.898 17.216 44.540 1.00 45.14 ? 51 C A "C4'" 1
797
+ ATOM 161 O "O4'" . C A 1 8 ? -4.532 17.692 44.362 1.00 45.11 ? 51 C A "O4'" 1
798
+ ATOM 162 C "C3'" . C A 1 8 ? -5.917 15.892 43.779 1.00 44.32 ? 51 C A "C3'" 1
799
+ ATOM 163 O "O3'" . C A 1 8 ? -7.224 15.497 43.368 1.00 42.26 ? 51 C A "O3'" 1
800
+ ATOM 164 C "C2'" . C A 1 8 ? -5.046 16.217 42.572 1.00 45.82 ? 51 C A "C2'" 1
801
+ ATOM 165 O "O2'" . C A 1 8 ? -5.734 16.954 41.574 1.00 46.79 ? 51 C A "O2'" 1
802
+ ATOM 166 C "C1'" . C A 1 8 ? -3.959 17.084 43.214 1.00 45.00 ? 51 C A "C1'" 1
803
+ ATOM 167 N N1 . C A 1 8 ? -2.793 16.285 43.632 1.00 43.59 ? 51 C A N1 1
804
+ ATOM 168 C C2 . C A 1 8 ? -1.866 15.882 42.657 1.00 44.30 ? 51 C A C2 1
805
+ ATOM 169 O O2 . C A 1 8 ? -2.050 16.221 41.475 1.00 46.73 ? 51 C A O2 1
806
+ ATOM 170 N N3 . C A 1 8 ? -0.800 15.132 43.027 1.00 41.93 ? 51 C A N3 1
807
+ ATOM 171 C C4 . C A 1 8 ? -0.639 14.785 44.307 1.00 41.91 ? 51 C A C4 1
808
+ ATOM 172 N N4 . C A 1 8 ? 0.415 14.040 44.624 1.00 39.36 ? 51 C A N4 1
809
+ ATOM 173 C C5 . C A 1 8 ? -1.559 15.185 45.318 1.00 42.68 ? 51 C A C5 1
810
+ ATOM 174 C C6 . C A 1 8 ? -2.612 15.929 44.940 1.00 43.31 ? 51 C A C6 1
811
+ ATOM 175 P P . U A 1 9 ? -7.558 13.929 43.140 1.00 43.72 ? 52 U A P 1
812
+ ATOM 176 O OP1 . U A 1 9 ? -9.029 13.808 42.945 1.00 43.25 ? 52 U A OP1 1
813
+ ATOM 177 O OP2 . U A 1 9 ? -6.889 13.109 44.192 1.00 42.03 ? 52 U A OP2 1
814
+ ATOM 178 O "O5'" . U A 1 9 ? -6.829 13.563 41.770 1.00 43.47 ? 52 U A "O5'" 1
815
+ ATOM 179 C "C5'" . U A 1 9 ? -7.252 14.124 40.535 1.00 40.31 ? 52 U A "C5'" 1
816
+ ATOM 180 C "C4'" . U A 1 9 ? -6.338 13.674 39.424 1.00 42.57 ? 52 U A "C4'" 1
817
+ ATOM 181 O "O4'" . U A 1 9 ? -4.989 14.184 39.658 1.00 39.92 ? 52 U A "O4'" 1
818
+ ATOM 182 C "C3'" . U A 1 9 ? -6.121 12.175 39.327 1.00 42.77 ? 52 U A "C3'" 1
819
+ ATOM 183 O "O3'" . U A 1 9 ? -7.199 11.497 38.706 1.00 46.34 ? 52 U A "O3'" 1
820
+ ATOM 184 C "C2'" . U A 1 9 ? -4.831 12.124 38.523 1.00 42.98 ? 52 U A "C2'" 1
821
+ ATOM 185 O "O2'" . U A 1 9 ? -5.004 12.482 37.163 1.00 43.58 ? 52 U A "O2'" 1
822
+ ATOM 186 C "C1'" . U A 1 9 ? -4.033 13.223 39.222 1.00 41.04 ? 52 U A "C1'" 1
823
+ ATOM 187 N N1 . U A 1 9 ? -3.296 12.709 40.393 1.00 38.82 ? 52 U A N1 1
824
+ ATOM 188 C C2 . U A 1 9 ? -2.082 12.085 40.167 1.00 37.16 ? 52 U A C2 1
825
+ ATOM 189 O O2 . U A 1 9 ? -1.605 11.936 39.055 1.00 37.64 ? 52 U A O2 1
826
+ ATOM 190 N N3 . U A 1 9 ? -1.444 11.637 41.292 1.00 36.81 ? 52 U A N3 1
827
+ ATOM 191 C C4 . U A 1 9 ? -1.877 11.745 42.598 1.00 39.21 ? 52 U A C4 1
828
+ ATOM 192 O O4 . U A 1 9 ? -1.167 11.313 43.512 1.00 38.01 ? 52 U A O4 1
829
+ ATOM 193 C C5 . U A 1 9 ? -3.142 12.391 42.752 1.00 38.64 ? 52 U A C5 1
830
+ ATOM 194 C C6 . U A 1 9 ? -3.792 12.839 41.672 1.00 39.27 ? 52 U A C6 1
831
+ ATOM 195 P P . G A 1 10 ? -7.494 9.963 39.091 1.00 50.76 ? 53 G A P 1
832
+ ATOM 196 O OP1 . G A 1 10 ? -8.777 9.575 38.457 1.00 51.92 ? 53 G A OP1 1
833
+ ATOM 197 O OP2 . G A 1 10 ? -7.307 9.769 40.555 1.00 50.66 ? 53 G A OP2 1
834
+ ATOM 198 O "O5'" . G A 1 10 ? -6.324 9.155 38.381 1.00 49.19 ? 53 G A "O5'" 1
835
+ ATOM 199 C "C5'" . G A 1 10 ? -6.151 9.218 36.976 1.00 46.80 ? 53 G A "C5'" 1
836
+ ATOM 200 C "C4'" . G A 1 10 ? -4.851 8.564 36.588 1.00 44.69 ? 53 G A "C4'" 1
837
+ ATOM 201 O "O4'" . G A 1 10 ? -3.764 9.243 37.261 1.00 42.26 ? 53 G A "O4'" 1
838
+ ATOM 202 C "C3'" . G A 1 10 ? -4.674 7.118 37.015 1.00 44.08 ? 53 G A "C3'" 1
839
+ ATOM 203 O "O3'" . G A 1 10 ? -5.395 6.161 36.227 1.00 45.92 ? 53 G A "O3'" 1
840
+ ATOM 204 C "C2'" . G A 1 10 ? -3.162 6.961 36.957 1.00 43.61 ? 53 G A "C2'" 1
841
+ ATOM 205 O "O2'" . G A 1 10 ? -2.667 6.759 35.644 1.00 44.66 ? 53 G A "O2'" 1
842
+ ATOM 206 C "C1'" . G A 1 10 ? -2.706 8.327 37.475 1.00 42.74 ? 53 G A "C1'" 1
843
+ ATOM 207 N N9 . G A 1 10 ? -2.368 8.311 38.894 1.00 43.12 ? 53 G A N9 1
844
+ ATOM 208 C C8 . G A 1 10 ? -3.054 8.881 39.944 1.00 42.89 ? 53 G A C8 1
845
+ ATOM 209 N N7 . G A 1 10 ? -2.470 8.691 41.099 1.00 40.95 ? 53 G A N7 1
846
+ ATOM 210 C C5 . G A 1 10 ? -1.337 7.951 40.791 1.00 42.34 ? 53 G A C5 1
847
+ ATOM 211 C C6 . G A 1 10 ? -0.315 7.456 41.624 1.00 43.47 ? 53 G A C6 1
848
+ ATOM 212 O O6 . G A 1 10 ? -0.191 7.578 42.847 1.00 46.30 ? 53 G A O6 1
849
+ ATOM 213 N N1 . G A 1 10 ? 0.639 6.754 40.897 1.00 44.87 ? 53 G A N1 1
850
+ ATOM 214 C C2 . G A 1 10 ? 0.616 6.557 39.537 1.00 42.78 ? 53 G A C2 1
851
+ ATOM 215 N N2 . G A 1 10 ? 1.626 5.842 39.013 1.00 41.50 ? 53 G A N2 1
852
+ ATOM 216 N N3 . G A 1 10 ? -0.325 7.021 38.750 1.00 42.21 ? 53 G A N3 1
853
+ ATOM 217 C C4 . G A 1 10 ? -1.264 7.704 39.437 1.00 43.21 ? 53 G A C4 1
854
+ ATOM 218 O "O5'" . C B 2 1 ? 7.138 4.489 50.258 1.00 58.78 ? -6 C B "O5'" 1
855
+ ATOM 219 C "C5'" . C B 2 1 ? 8.044 3.448 49.868 1.00 57.28 ? -6 C B "C5'" 1
856
+ ATOM 220 C "C4'" . C B 2 1 ? 7.696 2.818 48.536 1.00 56.48 ? -6 C B "C4'" 1
857
+ ATOM 221 O "O4'" . C B 2 1 ? 6.340 2.297 48.580 1.00 53.97 ? -6 C B "O4'" 1
858
+ ATOM 222 C "C3'" . C B 2 1 ? 7.668 3.755 47.338 1.00 55.81 ? -6 C B "C3'" 1
859
+ ATOM 223 O "O3'" . C B 2 1 ? 8.965 3.987 46.814 1.00 55.85 ? -6 C B "O3'" 1
860
+ ATOM 224 C "C2'" . C B 2 1 ? 6.812 2.975 46.353 1.00 55.49 ? -6 C B "C2'" 1
861
+ ATOM 225 O "O2'" . C B 2 1 ? 7.525 1.937 45.708 1.00 56.04 ? -6 C B "O2'" 1
862
+ ATOM 226 C "C1'" . C B 2 1 ? 5.756 2.387 47.288 1.00 53.88 ? -6 C B "C1'" 1
863
+ ATOM 227 N N1 . C B 2 1 ? 4.552 3.233 47.364 1.00 52.35 ? -6 C B N1 1
864
+ ATOM 228 C C2 . C B 2 1 ? 3.535 3.029 46.427 1.00 51.70 ? -6 C B C2 1
865
+ ATOM 229 O O2 . C B 2 1 ? 3.682 2.146 45.562 1.00 49.35 ? -6 C B O2 1
866
+ ATOM 230 N N3 . C B 2 1 ? 2.419 3.793 46.483 1.00 51.41 ? -6 C B N3 1
867
+ ATOM 231 C C4 . C B 2 1 ? 2.297 4.730 47.426 1.00 51.79 ? -6 C B C4 1
868
+ ATOM 232 N N4 . C B 2 1 ? 1.175 5.459 47.443 1.00 50.51 ? -6 C B N4 1
869
+ ATOM 233 C C5 . C B 2 1 ? 3.319 4.963 48.392 1.00 51.88 ? -6 C B C5 1
870
+ ATOM 234 C C6 . C B 2 1 ? 4.420 4.200 48.324 1.00 52.07 ? -6 C B C6 1
871
+ ATOM 235 P P . C B 2 2 ? 9.216 5.253 45.862 1.00 55.67 ? -5 C B P 1
872
+ ATOM 236 O OP1 . C B 2 2 ? 10.683 5.375 45.646 1.00 54.85 ? -5 C B OP1 1
873
+ ATOM 237 O OP2 . C B 2 2 ? 8.453 6.403 46.415 1.00 54.04 ? -5 C B OP2 1
874
+ ATOM 238 O "O5'" . C B 2 2 ? 8.512 4.836 44.495 1.00 55.56 ? -5 C B "O5'" 1
875
+ ATOM 239 C "C5'" . C B 2 2 ? 9.060 3.814 43.666 1.00 55.47 ? -5 C B "C5'" 1
876
+ ATOM 240 C "C4'" . C B 2 2 ? 8.291 3.721 42.366 1.00 54.49 ? -5 C B "C4'" 1
877
+ ATOM 241 O "O4'" . C B 2 2 ? 6.919 3.322 42.648 1.00 53.00 ? -5 C B "O4'" 1
878
+ ATOM 242 C "C3'" . C B 2 2 ? 8.126 5.018 41.585 1.00 54.12 ? -5 C B "C3'" 1
879
+ ATOM 243 O "O3'" . C B 2 2 ? 9.269 5.348 40.805 1.00 55.46 ? -5 C B "O3'" 1
880
+ ATOM 244 C "C2'" . C B 2 2 ? 6.923 4.694 40.715 1.00 53.28 ? -5 C B "C2'" 1
881
+ ATOM 245 O "O2'" . C B 2 2 ? 7.268 3.833 39.644 1.00 52.25 ? -5 C B "O2'" 1
882
+ ATOM 246 C "C1'" . C B 2 2 ? 6.040 3.945 41.717 1.00 50.87 ? -5 C B "C1'" 1
883
+ ATOM 247 N N1 . C B 2 2 ? 5.109 4.828 42.456 1.00 47.29 ? -5 C B N1 1
884
+ ATOM 248 C C2 . C B 2 2 ? 3.917 5.243 41.835 1.00 45.70 ? -5 C B C2 1
885
+ ATOM 249 O O2 . C B 2 2 ? 3.673 4.876 40.676 1.00 43.21 ? -5 C B O2 1
886
+ ATOM 250 N N3 . C B 2 2 ? 3.062 6.035 42.518 1.00 44.10 ? -5 C B N3 1
887
+ ATOM 251 C C4 . C B 2 2 ? 3.358 6.424 43.762 1.00 43.49 ? -5 C B C4 1
888
+ ATOM 252 N N4 . C B 2 2 ? 2.484 7.211 44.401 1.00 40.11 ? -5 C B N4 1
889
+ ATOM 253 C C5 . C B 2 2 ? 4.559 6.028 44.407 1.00 44.15 ? -5 C B C5 1
890
+ ATOM 254 C C6 . C B 2 2 ? 5.395 5.236 43.728 1.00 46.94 ? -5 C B C6 1
891
+ ATOM 255 P P . A B 2 3 ? 9.723 6.888 40.679 1.00 57.52 ? -4 A B P 1
892
+ ATOM 256 O OP1 . A B 2 3 ? 11.054 6.907 40.019 1.00 57.18 ? -4 A B OP1 1
893
+ ATOM 257 O OP2 . A B 2 3 ? 9.550 7.547 42.007 1.00 56.14 ? -4 A B OP2 1
894
+ ATOM 258 O "O5'" . A B 2 3 ? 8.644 7.546 39.704 1.00 54.22 ? -4 A B "O5'" 1
895
+ ATOM 259 C "C5'" . A B 2 3 ? 8.593 7.189 38.328 1.00 48.27 ? -4 A B "C5'" 1
896
+ ATOM 260 C "C4'" . A B 2 3 ? 7.317 7.695 37.691 1.00 43.61 ? -4 A B "C4'" 1
897
+ ATOM 261 O "O4'" . A B 2 3 ? 6.176 7.194 38.441 1.00 40.19 ? -4 A B "O4'" 1
898
+ ATOM 262 C "C3'" . A B 2 3 ? 7.071 9.194 37.702 1.00 41.86 ? -4 A B "C3'" 1
899
+ ATOM 263 O "O3'" . A B 2 3 ? 7.842 9.906 36.735 1.00 40.92 ? -4 A B "O3'" 1
900
+ ATOM 264 C "C2'" . A B 2 3 ? 5.572 9.247 37.426 1.00 40.32 ? -4 A B "C2'" 1
901
+ ATOM 265 O "O2'" . A B 2 3 ? 5.201 8.981 36.083 1.00 39.00 ? -4 A B "O2'" 1
902
+ ATOM 266 C "C1'" . A B 2 3 ? 5.083 8.089 38.291 1.00 39.75 ? -4 A B "C1'" 1
903
+ ATOM 267 N N9 . A B 2 3 ? 4.623 8.536 39.608 1.00 36.32 ? -4 A B N9 1
904
+ ATOM 268 C C8 . A B 2 3 ? 5.258 8.483 40.822 1.00 36.31 ? -4 A B C8 1
905
+ ATOM 269 N N7 . A B 2 3 ? 4.555 8.990 41.807 1.00 36.02 ? -4 A B N7 1
906
+ ATOM 270 C C5 . A B 2 3 ? 3.378 9.399 41.200 1.00 36.91 ? -4 A B C5 1
907
+ ATOM 271 C C6 . A B 2 3 ? 2.217 10.013 41.699 1.00 36.58 ? -4 A B C6 1
908
+ ATOM 272 N N6 . A B 2 3 ? 2.032 10.325 42.975 1.00 35.13 ? -4 A B N6 1
909
+ ATOM 273 N N1 . A B 2 3 ? 1.235 10.295 40.824 1.00 38.85 ? -4 A B N1 1
910
+ ATOM 274 C C2 . A B 2 3 ? 1.410 9.973 39.540 1.00 36.83 ? -4 A B C2 1
911
+ ATOM 275 N N3 . A B 2 3 ? 2.445 9.395 38.952 1.00 35.27 ? -4 A B N3 1
912
+ ATOM 276 C C4 . A B 2 3 ? 3.408 9.129 39.847 1.00 36.40 ? -4 A B C4 1
913
+ ATOM 277 P P . G B 2 4 ? 8.157 11.468 36.974 1.00 43.11 ? -3 G B P 1
914
+ ATOM 278 O OP1 . G B 2 4 ? 9.250 11.892 36.068 1.00 43.26 ? -3 G B OP1 1
915
+ ATOM 279 O OP2 . G B 2 4 ? 8.303 11.683 38.441 1.00 42.37 ? -3 G B OP2 1
916
+ ATOM 280 O "O5'" . G B 2 4 ? 6.822 12.189 36.501 1.00 40.50 ? -3 G B "O5'" 1
917
+ ATOM 281 C "C5'" . G B 2 4 ? 6.258 11.884 35.235 1.00 40.10 ? -3 G B "C5'" 1
918
+ ATOM 282 C "C4'" . G B 2 4 ? 4.890 12.489 35.116 1.00 39.75 ? -3 G B "C4'" 1
919
+ ATOM 283 O "O4'" . G B 2 4 ? 3.980 11.853 36.054 1.00 40.07 ? -3 G B "O4'" 1
920
+ ATOM 284 C "C3'" . G B 2 4 ? 4.814 13.960 35.476 1.00 41.66 ? -3 G B "C3'" 1
921
+ ATOM 285 O "O3'" . G B 2 4 ? 5.261 14.783 34.405 1.00 40.93 ? -3 G B "O3'" 1
922
+ ATOM 286 C "C2'" . G B 2 4 ? 3.333 14.122 35.810 1.00 40.57 ? -3 G B "C2'" 1
923
+ ATOM 287 O "O2'" . G B 2 4 ? 2.511 14.182 34.661 1.00 40.70 ? -3 G B "O2'" 1
924
+ ATOM 288 C "C1'" . G B 2 4 ? 3.055 12.814 36.551 1.00 39.22 ? -3 G B "C1'" 1
925
+ ATOM 289 N N9 . G B 2 4 ? 3.202 12.900 38.006 1.00 38.90 ? -3 G B N9 1
926
+ ATOM 290 C C8 . G B 2 4 ? 4.247 12.431 38.773 1.00 38.69 ? -3 G B C8 1
927
+ ATOM 291 N N7 . G B 2 4 ? 4.058 12.594 40.055 1.00 37.71 ? -3 G B N7 1
928
+ ATOM 292 C C5 . G B 2 4 ? 2.823 13.222 40.143 1.00 37.30 ? -3 G B C5 1
929
+ ATOM 293 C C6 . G B 2 4 ? 2.080 13.639 41.282 1.00 36.62 ? -3 G B C6 1
930
+ ATOM 294 O O6 . G B 2 4 ? 2.369 13.522 42.480 1.00 37.39 ? -3 G B O6 1
931
+ ATOM 295 N N1 . G B 2 4 ? 0.880 14.245 40.917 1.00 35.08 ? -3 G B N1 1
932
+ ATOM 296 C C2 . G B 2 4 ? 0.443 14.421 39.629 1.00 34.00 ? -3 G B C2 1
933
+ ATOM 297 N N2 . G B 2 4 ? -0.745 15.028 39.484 1.00 28.96 ? -3 G B N2 1
934
+ ATOM 298 N N3 . G B 2 4 ? 1.120 14.030 38.560 1.00 35.11 ? -3 G B N3 1
935
+ ATOM 299 C C4 . G B 2 4 ? 2.291 13.440 38.888 1.00 37.34 ? -3 G B C4 1
936
+ ATOM 300 P P . U B 2 5 ? 5.468 16.354 34.653 1.00 42.54 ? -2 U B P 1
937
+ ATOM 301 O OP1 . U B 2 5 ? 5.896 17.013 33.397 1.00 43.86 ? -2 U B OP1 1
938
+ ATOM 302 O OP2 . U B 2 5 ? 6.277 16.531 35.884 1.00 39.75 ? -2 U B OP2 1
939
+ ATOM 303 O "O5'" . U B 2 5 ? 3.988 16.846 34.938 1.00 41.53 ? -2 U B "O5'" 1
940
+ ATOM 304 C "C5'" . U B 2 5 ? 3.733 18.206 35.195 1.00 45.24 ? -2 U B "C5'" 1
941
+ ATOM 305 C "C4'" . U B 2 5 ? 2.409 18.363 35.881 1.00 43.72 ? -2 U B "C4'" 1
942
+ ATOM 306 O "O4'" . U B 2 5 ? 2.118 17.196 36.689 1.00 41.90 ? -2 U B "O4'" 1
943
+ ATOM 307 C "C3'" . U B 2 5 ? 2.425 19.525 36.845 1.00 43.47 ? -2 U B "C3'" 1
944
+ ATOM 308 O "O3'" . U B 2 5 ? 2.140 20.722 36.152 1.00 47.42 ? -2 U B "O3'" 1
945
+ ATOM 309 C "C2'" . U B 2 5 ? 1.388 19.116 37.882 1.00 42.47 ? -2 U B "C2'" 1
946
+ ATOM 310 O "O2'" . U B 2 5 ? 0.049 19.377 37.500 1.00 42.58 ? -2 U B "O2'" 1
947
+ ATOM 311 C "C1'" . U B 2 5 ? 1.624 17.604 37.954 1.00 38.98 ? -2 U B "C1'" 1
948
+ ATOM 312 N N1 . U B 2 5 ? 2.571 17.160 38.995 1.00 34.69 ? -2 U B N1 1
949
+ ATOM 313 C C2 . U B 2 5 ? 2.165 17.232 40.315 1.00 32.06 ? -2 U B C2 1
950
+ ATOM 314 O O2 . U B 2 5 ? 1.081 17.669 40.648 1.00 32.77 ? -2 U B O2 1
951
+ ATOM 315 N N3 . U B 2 5 ? 3.072 16.766 41.229 1.00 28.95 ? -2 U B N3 1
952
+ ATOM 316 C C4 . U B 2 5 ? 4.316 16.250 40.967 1.00 30.87 ? -2 U B C4 1
953
+ ATOM 317 O O4 . U B 2 5 ? 5.024 15.870 41.901 1.00 31.58 ? -2 U B O4 1
954
+ ATOM 318 C C5 . U B 2 5 ? 4.670 16.217 39.586 1.00 30.70 ? -2 U B C5 1
955
+ ATOM 319 C C6 . U B 2 5 ? 3.812 16.666 38.672 1.00 31.89 ? -2 U B C6 1
956
+ ATOM 320 P P . C B 2 6 ? 2.924 22.064 36.543 1.00 51.59 ? -1 C B P 1
957
+ ATOM 321 O OP1 . C B 2 6 ? 2.579 23.087 35.520 1.00 52.45 ? -1 C B OP1 1
958
+ ATOM 322 O OP2 . C B 2 6 ? 4.347 21.689 36.764 1.00 51.88 ? -1 C B OP2 1
959
+ ATOM 323 O "O5'" . C B 2 6 ? 2.258 22.480 37.933 1.00 51.58 ? -1 C B "O5'" 1
960
+ ATOM 324 C "C5'" . C B 2 6 ? 0.845 22.404 38.090 1.00 51.30 ? -1 C B "C5'" 1
961
+ ATOM 325 C "C4'" . C B 2 6 ? 0.404 22.921 39.442 1.00 54.07 ? -1 C B "C4'" 1
962
+ ATOM 326 O "O4'" . C B 2 6 ? 0.733 21.946 40.479 1.00 52.72 ? -1 C B "O4'" 1
963
+ ATOM 327 C "C3'" . C B 2 6 ? 1.145 24.199 39.829 1.00 55.88 ? -1 C B "C3'" 1
964
+ ATOM 328 O "O3'" . C B 2 6 ? 0.371 25.378 40.038 1.00 57.68 ? -1 C B "O3'" 1
965
+ ATOM 329 C "C2'" . C B 2 6 ? 2.242 23.799 40.816 1.00 55.42 ? -1 C B "C2'" 1
966
+ ATOM 330 O "O2'" . C B 2 6 ? 2.280 24.625 41.954 1.00 60.48 ? -1 C B "O2'" 1
967
+ ATOM 331 C "C1'" . C B 2 6 ? 1.703 22.478 41.362 1.00 51.08 ? -1 C B "C1'" 1
968
+ ATOM 332 N N1 . C B 2 6 ? 2.685 21.452 41.777 1.00 45.40 ? -1 C B N1 1
969
+ ATOM 333 C C2 . C B 2 6 ? 2.708 21.048 43.141 1.00 43.28 ? -1 C B C2 1
970
+ ATOM 334 O O2 . C B 2 6 ? 1.876 21.533 43.936 1.00 37.32 ? -1 C B O2 1
971
+ ATOM 335 N N3 . C B 2 6 ? 3.634 20.136 43.547 1.00 38.62 ? -1 C B N3 1
972
+ ATOM 336 C C4 . C B 2 6 ? 4.497 19.620 42.661 1.00 37.78 ? -1 C B C4 1
973
+ ATOM 337 N N4 . C B 2 6 ? 5.378 18.711 43.096 1.00 33.21 ? -1 C B N4 1
974
+ ATOM 338 C C5 . C B 2 6 ? 4.490 20.006 41.283 1.00 37.94 ? -1 C B C5 1
975
+ ATOM 339 C C6 . C B 2 6 ? 3.575 20.913 40.888 1.00 43.44 ? -1 C B C6 1
976
+ ATOM 340 P P . G B 2 7 ? 2.930 26.089 41.873 1.00 65.60 ? 1 G B P 1
977
+ ATOM 341 O OP1 . G B 2 7 ? 4.401 25.926 41.687 1.00 62.52 ? 1 G B OP1 1
978
+ ATOM 342 O OP2 . G B 2 7 ? 2.157 26.914 40.906 1.00 65.86 ? 1 G B OP2 1
979
+ ATOM 343 O "O5'" . G B 2 7 ? 2.648 26.647 43.340 1.00 60.11 ? 1 G B "O5'" 1
980
+ ATOM 344 C "C5'" . G B 2 7 ? 3.692 26.735 44.289 1.00 54.64 ? 1 G B "C5'" 1
981
+ ATOM 345 C "C4'" . G B 2 7 ? 3.444 25.813 45.466 1.00 49.86 ? 1 G B "C4'" 1
982
+ ATOM 346 O "O4'" . G B 2 7 ? 3.235 24.440 45.038 1.00 47.93 ? 1 G B "O4'" 1
983
+ ATOM 347 C "C3'" . G B 2 7 ? 4.656 25.782 46.375 1.00 45.84 ? 1 G B "C3'" 1
984
+ ATOM 348 O "O3'" . G B 2 7 ? 4.468 26.788 47.349 1.00 43.82 ? 1 G B "O3'" 1
985
+ ATOM 349 C "C2'" . G B 2 7 ? 4.617 24.380 46.972 1.00 45.12 ? 1 G B "C2'" 1
986
+ ATOM 350 O "O2'" . G B 2 7 ? 3.774 24.284 48.100 1.00 44.66 ? 1 G B "O2'" 1
987
+ ATOM 351 C "C1'" . G B 2 7 ? 4.052 23.565 45.805 1.00 42.79 ? 1 G B "C1'" 1
988
+ ATOM 352 N N9 . G B 2 7 ? 5.050 22.991 44.901 1.00 41.74 ? 1 G B N9 1
989
+ ATOM 353 C C8 . G B 2 7 ? 5.224 23.319 43.574 1.00 40.14 ? 1 G B C8 1
990
+ ATOM 354 N N7 . G B 2 7 ? 6.155 22.618 42.988 1.00 39.28 ? 1 G B N7 1
991
+ ATOM 355 C C5 . G B 2 7 ? 6.635 21.777 43.984 1.00 37.26 ? 1 G B C5 1
992
+ ATOM 356 C C6 . G B 2 7 ? 7.650 20.778 43.934 1.00 36.89 ? 1 G B C6 1
993
+ ATOM 357 O O6 . G B 2 7 ? 8.331 20.412 42.962 1.00 36.00 ? 1 G B O6 1
994
+ ATOM 358 N N1 . G B 2 7 ? 7.835 20.176 45.177 1.00 34.98 ? 1 G B N1 1
995
+ ATOM 359 C C2 . G B 2 7 ? 7.130 20.481 46.312 1.00 34.07 ? 1 G B C2 1
996
+ ATOM 360 N N2 . G B 2 7 ? 7.464 19.785 47.417 1.00 37.50 ? 1 G B N2 1
997
+ ATOM 361 N N3 . G B 2 7 ? 6.169 21.397 46.369 1.00 36.15 ? 1 G B N3 1
998
+ ATOM 362 C C4 . G B 2 7 ? 5.978 22.003 45.178 1.00 38.11 ? 1 G B C4 1
999
+ ATOM 363 P P . G B 2 8 ? 5.627 27.861 47.646 1.00 42.02 ? 2 G B P 1
1000
+ ATOM 364 O OP1 . G B 2 8 ? 5.230 29.124 46.979 1.00 40.87 ? 2 G B OP1 1
1001
+ ATOM 365 O OP2 . G B 2 8 ? 6.971 27.283 47.379 1.00 37.22 ? 2 G B OP2 1
1002
+ ATOM 366 O "O5'" . G B 2 8 ? 5.455 28.050 49.214 1.00 42.12 ? 2 G B "O5'" 1
1003
+ ATOM 367 C "C5'" . G B 2 8 ? 4.155 28.249 49.767 1.00 41.04 ? 2 G B "C5'" 1
1004
+ ATOM 368 C "C4'" . G B 2 8 ? 4.151 27.922 51.238 1.00 40.46 ? 2 G B "C4'" 1
1005
+ ATOM 369 O "O4'" . G B 2 8 ? 4.118 26.486 51.448 1.00 37.01 ? 2 G B "O4'" 1
1006
+ ATOM 370 C "C3'" . G B 2 8 ? 5.381 28.365 52.002 1.00 39.61 ? 2 G B "C3'" 1
1007
+ ATOM 371 O "O3'" . G B 2 8 ? 5.350 29.762 52.260 1.00 40.98 ? 2 G B "O3'" 1
1008
+ ATOM 372 C "C2'" . G B 2 8 ? 5.274 27.497 53.248 1.00 39.79 ? 2 G B "C2'" 1
1009
+ ATOM 373 O "O2'" . G B 2 8 ? 4.273 27.958 54.133 1.00 40.18 ? 2 G B "O2'" 1
1010
+ ATOM 374 C "C1'" . G B 2 8 ? 4.811 26.168 52.643 1.00 35.59 ? 2 G B "C1'" 1
1011
+ ATOM 375 N N9 . G B 2 8 ? 5.895 25.241 52.322 1.00 34.16 ? 2 G B N9 1
1012
+ ATOM 376 C C8 . G B 2 8 ? 6.429 24.984 51.080 1.00 34.68 ? 2 G B C8 1
1013
+ ATOM 377 N N7 . G B 2 8 ? 7.358 24.065 51.098 1.00 32.06 ? 2 G B N7 1
1014
+ ATOM 378 C C5 . G B 2 8 ? 7.455 23.698 52.434 1.00 34.34 ? 2 G B C5 1
1015
+ ATOM 379 C C6 . G B 2 8 ? 8.283 22.726 53.068 1.00 34.66 ? 2 G B C6 1
1016
+ ATOM 380 O O6 . G B 2 8 ? 9.114 21.968 52.559 1.00 33.72 ? 2 G B O6 1
1017
+ ATOM 381 N N1 . G B 2 8 ? 8.062 22.683 54.436 1.00 35.10 ? 2 G B N1 1
1018
+ ATOM 382 C C2 . G B 2 8 ? 7.158 23.457 55.116 1.00 35.05 ? 2 G B C2 1
1019
+ ATOM 383 N N2 . G B 2 8 ? 7.101 23.256 56.442 1.00 34.18 ? 2 G B N2 1
1020
+ ATOM 384 N N3 . G B 2 8 ? 6.371 24.357 54.544 1.00 34.83 ? 2 G B N3 1
1021
+ ATOM 385 C C4 . G B 2 8 ? 6.571 24.425 53.208 1.00 34.61 ? 2 G B C4 1
1022
+ ATOM 386 P P . A B 2 9 ? 6.718 30.611 52.232 1.00 41.81 ? 3 A B P 1
1023
+ ATOM 387 O OP1 . A B 2 9 ? 6.370 32.038 52.398 1.00 43.62 ? 3 A B OP1 1
1024
+ ATOM 388 O OP2 . A B 2 9 ? 7.522 30.195 51.057 1.00 44.09 ? 3 A B OP2 1
1025
+ ATOM 389 O "O5'" . A B 2 9 ? 7.486 30.118 53.533 1.00 42.08 ? 3 A B "O5'" 1
1026
+ ATOM 390 C "C5'" . A B 2 9 ? 6.915 30.289 54.825 1.00 41.01 ? 3 A B "C5'" 1
1027
+ ATOM 391 C "C4'" . A B 2 9 ? 7.657 29.451 55.834 1.00 40.58 ? 3 A B "C4'" 1
1028
+ ATOM 392 O "O4'" . A B 2 9 ? 7.482 28.044 55.514 1.00 40.31 ? 3 A B "O4'" 1
1029
+ ATOM 393 C "C3'" . A B 2 9 ? 9.167 29.624 55.865 1.00 40.06 ? 3 A B "C3'" 1
1030
+ ATOM 394 O "O3'" . A B 2 9 ? 9.547 30.768 56.629 1.00 41.41 ? 3 A B "O3'" 1
1031
+ ATOM 395 C "C2'" . A B 2 9 ? 9.602 28.328 56.535 1.00 40.22 ? 3 A B "C2'" 1
1032
+ ATOM 396 O "O2'" . A B 2 9 ? 9.391 28.349 57.928 1.00 34.96 ? 3 A B "O2'" 1
1033
+ ATOM 397 C "C1'" . A B 2 9 ? 8.640 27.320 55.901 1.00 39.95 ? 3 A B "C1'" 1
1034
+ ATOM 398 N N9 . A B 2 9 ? 9.207 26.671 54.717 1.00 39.39 ? 3 A B N9 1
1035
+ ATOM 399 C C8 . A B 2 9 ? 9.036 27.023 53.398 1.00 41.17 ? 3 A B C8 1
1036
+ ATOM 400 N N7 . A B 2 9 ? 9.700 26.266 52.556 1.00 38.92 ? 3 A B N7 1
1037
+ ATOM 401 C C5 . A B 2 9 ? 10.347 25.350 53.370 1.00 38.80 ? 3 A B C5 1
1038
+ ATOM 402 C C6 . A B 2 9 ? 11.209 24.275 53.084 1.00 38.69 ? 3 A B C6 1
1039
+ ATOM 403 N N6 . A B 2 9 ? 11.579 23.933 51.849 1.00 39.89 ? 3 A B N6 1
1040
+ ATOM 404 N N1 . A B 2 9 ? 11.682 23.555 54.124 1.00 38.36 ? 3 A B N1 1
1041
+ ATOM 405 C C2 . A B 2 9 ? 11.307 23.901 55.362 1.00 38.88 ? 3 A B C2 1
1042
+ ATOM 406 N N3 . A B 2 9 ? 10.503 24.889 55.760 1.00 39.44 ? 3 A B N3 1
1043
+ ATOM 407 C C4 . A B 2 9 ? 10.049 25.584 54.705 1.00 39.40 ? 3 A B C4 1
1044
+ ATOM 408 P P . A B 2 10 ? 10.788 31.683 56.150 1.00 40.53 ? 4 A B P 1
1045
+ ATOM 409 O OP1 . A B 2 10 ? 10.989 32.720 57.192 1.00 44.43 ? 4 A B OP1 1
1046
+ ATOM 410 O OP2 . A B 2 10 ? 10.556 32.096 54.742 1.00 41.71 ? 4 A B OP2 1
1047
+ ATOM 411 O "O5'" . A B 2 10 ? 12.047 30.703 56.164 1.00 40.56 ? 4 A B "O5'" 1
1048
+ ATOM 412 C "C5'" . A B 2 10 ? 12.562 30.175 57.389 1.00 41.89 ? 4 A B "C5'" 1
1049
+ ATOM 413 C "C4'" . A B 2 10 ? 13.607 29.117 57.105 1.00 43.40 ? 4 A B "C4'" 1
1050
+ ATOM 414 O "O4'" . A B 2 10 ? 12.986 28.026 56.376 1.00 43.08 ? 4 A B "O4'" 1
1051
+ ATOM 415 C "C3'" . A B 2 10 ? 14.778 29.555 56.233 1.00 45.83 ? 4 A B "C3'" 1
1052
+ ATOM 416 O "O3'" . A B 2 10 ? 15.817 30.115 57.035 1.00 50.38 ? 4 A B "O3'" 1
1053
+ ATOM 417 C "C2'" . A B 2 10 ? 15.217 28.246 55.591 1.00 43.95 ? 4 A B "C2'" 1
1054
+ ATOM 418 O "O2'" . A B 2 10 ? 16.033 27.462 56.436 1.00 47.76 ? 4 A B "O2'" 1
1055
+ ATOM 419 C "C1'" . A B 2 10 ? 13.878 27.539 55.389 1.00 41.87 ? 4 A B "C1'" 1
1056
+ ATOM 420 N N9 . A B 2 10 ? 13.284 27.776 54.071 1.00 41.54 ? 4 A B N9 1
1057
+ ATOM 421 C C8 . A B 2 10 ? 12.354 28.728 53.714 1.00 39.79 ? 4 A B C8 1
1058
+ ATOM 422 N N7 . A B 2 10 ? 12.001 28.676 52.453 1.00 37.10 ? 4 A B N7 1
1059
+ ATOM 423 C C5 . A B 2 10 ? 12.753 27.627 51.941 1.00 39.64 ? 4 A B C5 1
1060
+ ATOM 424 C C6 . A B 2 10 ? 12.834 27.064 50.661 1.00 37.91 ? 4 A B C6 1
1061
+ ATOM 425 N N6 . A B 2 10 ? 12.124 27.495 49.620 1.00 40.25 ? 4 A B N6 1
1062
+ ATOM 426 N N1 . A B 2 10 ? 13.677 26.026 50.485 1.00 37.64 ? 4 A B N1 1
1063
+ ATOM 427 C C2 . A B 2 10 ? 14.388 25.592 51.528 1.00 37.19 ? 4 A B C2 1
1064
+ ATOM 428 N N3 . A B 2 10 ? 14.402 26.036 52.777 1.00 39.76 ? 4 A B N3 1
1065
+ ATOM 429 C C4 . A B 2 10 ? 13.550 27.067 52.923 1.00 39.80 ? 4 A B C4 1
1066
+ ATOM 430 P P . C B 2 11 ? 16.809 31.227 56.420 1.00 55.11 ? 5 C B P 1
1067
+ ATOM 431 O OP1 . C B 2 11 ? 17.667 31.694 57.544 1.00 56.31 ? 5 C B OP1 1
1068
+ ATOM 432 O OP2 . C B 2 11 ? 16.017 32.222 55.641 1.00 52.84 ? 5 C B OP2 1
1069
+ ATOM 433 O "O5'" . C B 2 11 ? 17.730 30.420 55.398 1.00 55.18 ? 5 C B "O5'" 1
1070
+ ATOM 434 C "C5'" . C B 2 11 ? 18.702 29.485 55.871 1.00 54.42 ? 5 C B "C5'" 1
1071
+ ATOM 435 C "C4'" . C B 2 11 ? 19.204 28.618 54.738 1.00 53.29 ? 5 C B "C4'" 1
1072
+ ATOM 436 O "O4'" . C B 2 11 ? 18.071 27.976 54.093 1.00 51.59 ? 5 C B "O4'" 1
1073
+ ATOM 437 C "C3'" . C B 2 11 ? 19.904 29.326 53.588 1.00 53.39 ? 5 C B "C3'" 1
1074
+ ATOM 438 O "O3'" . C B 2 11 ? 21.269 29.686 53.837 1.00 54.08 ? 5 C B "O3'" 1
1075
+ ATOM 439 C "C2'" . C B 2 11 ? 19.777 28.301 52.469 1.00 53.80 ? 5 C B "C2'" 1
1076
+ ATOM 440 O "O2'" . C B 2 11 ? 20.710 27.245 52.603 1.00 55.14 ? 5 C B "O2'" 1
1077
+ ATOM 441 C "C1'" . C B 2 11 ? 18.369 27.755 52.722 1.00 52.41 ? 5 C B "C1'" 1
1078
+ ATOM 442 N N1 . C B 2 11 ? 17.317 28.380 51.887 1.00 50.49 ? 5 C B N1 1
1079
+ ATOM 443 C C2 . C B 2 11 ? 17.036 27.822 50.628 1.00 49.53 ? 5 C B C2 1
1080
+ ATOM 444 O O2 . C B 2 11 ? 17.662 26.817 50.260 1.00 47.49 ? 5 C B O2 1
1081
+ ATOM 445 N N3 . C B 2 11 ? 16.083 28.390 49.849 1.00 49.67 ? 5 C B N3 1
1082
+ ATOM 446 C C4 . C B 2 11 ? 15.416 29.463 50.283 1.00 49.88 ? 5 C B C4 1
1083
+ ATOM 447 N N4 . C B 2 11 ? 14.486 29.989 49.478 1.00 48.12 ? 5 C B N4 1
1084
+ ATOM 448 C C5 . C B 2 11 ? 15.674 30.046 51.560 1.00 49.85 ? 5 C B C5 1
1085
+ ATOM 449 C C6 . C B 2 11 ? 16.625 29.480 52.320 1.00 50.81 ? 5 C B C6 1
1086
+ HETATM 450 MG MG . MG C 3 . ? 5.574 20.217 56.204 1.00 40.59 ? 103 MG A MG 1
1087
+ HETATM 451 MG MG . MG D 3 . ? 7.091 18.559 38.088 1.00 45.63 ? 108 MG B MG 1
1088
+ HETATM 452 MG MG . MG E 3 . ? 12.687 32.392 53.379 1.00 45.19 ? 109 MG B MG 1
1089
+ HETATM 453 MG MG . MG F 3 . ? 19.773 30.749 51.661 1.00 56.48 ? 104 MG B MG 1
1090
+ HETATM 454 MG MG . MG G 3 . ? 10.280 25.103 49.643 1.00 47.95 ? 140 MG B MG 1
1091
+ HETATM 455 O O . HOH H 4 . ? 11.829 29.675 46.125 1.00 35.30 ? 110 HOH A O 1
1092
+ HETATM 456 O O . HOH H 4 . ? -5.146 20.938 45.021 1.00 39.94 ? 118 HOH A O 1
1093
+ HETATM 457 O O . HOH H 4 . ? -3.854 9.233 43.467 1.00 42.72 ? 122 HOH A O 1
1094
+ HETATM 458 O O . HOH H 4 . ? 13.025 17.706 53.291 1.00 44.79 ? 127 HOH A O 1
1095
+ HETATM 459 O O . HOH I 4 . ? 10.666 19.730 52.866 1.00 40.92 ? 101 HOH B O 1
1096
+ HETATM 460 O O . HOH I 4 . ? 11.358 26.981 59.151 1.00 35.50 ? 102 HOH B O 1
1097
+ HETATM 461 O O . HOH I 4 . ? 9.885 30.358 50.901 1.00 45.12 ? 105 HOH B O 1
1098
+ HETATM 462 O O . HOH I 4 . ? 8.221 24.968 47.842 1.00 40.25 ? 112 HOH B O 1
1099
+ HETATM 463 O O . HOH I 4 . ? 0.194 13.879 36.188 1.00 38.06 ? 130 HOH B O 1
1100
+ HETATM 464 O O . HOH I 4 . ? 1.418 25.775 48.571 1.00 47.23 ? 134 HOH B O 1
1101
+ HETATM 465 O O . HOH I 4 . ? 2.815 8.391 47.040 1.00 42.82 ? 136 HOH B O 1
1102
+ HETATM 466 O O . HOH I 4 . ? 7.275 18.436 41.055 1.00 40.90 ? 137 HOH B O 1
1103
+ #
1104
+ loop_
1105
+ _pdbx_poly_seq_scheme.asym_id
1106
+ _pdbx_poly_seq_scheme.entity_id
1107
+ _pdbx_poly_seq_scheme.seq_id
1108
+ _pdbx_poly_seq_scheme.mon_id
1109
+ _pdbx_poly_seq_scheme.ndb_seq_num
1110
+ _pdbx_poly_seq_scheme.pdb_seq_num
1111
+ _pdbx_poly_seq_scheme.auth_seq_num
1112
+ _pdbx_poly_seq_scheme.pdb_mon_id
1113
+ _pdbx_poly_seq_scheme.auth_mon_id
1114
+ _pdbx_poly_seq_scheme.pdb_strand_id
1115
+ _pdbx_poly_seq_scheme.pdb_ins_code
1116
+ _pdbx_poly_seq_scheme.hetero
1117
+ A 1 1 G 1 44 44 G GUA A . n
1118
+ A 1 2 G 2 45 45 G GUA A . n
1119
+ A 1 3 U 3 46 46 U URI A . n
1120
+ A 1 4 G 4 47 47 G GUA A . n
1121
+ A 1 5 A 5 48 48 A ADE A . n
1122
+ A 1 6 G 6 49 49 G GUA A . n
1123
+ A 1 7 G 7 50 50 G GUA A . n
1124
+ A 1 8 C 8 51 51 C CYT A . n
1125
+ A 1 9 U 9 52 52 U URI A . n
1126
+ A 1 10 G 10 53 53 G GUA A . n
1127
+ B 2 1 C 1 -6 -6 C CYT B . n
1128
+ B 2 2 C 2 -5 -5 C CYT B . n
1129
+ B 2 3 A 3 -4 -4 A ADE B . n
1130
+ B 2 4 G 4 -3 -3 G GUA B . n
1131
+ B 2 5 U 5 -2 -2 U URI B . n
1132
+ B 2 6 C 6 -1 -1 C C2Y B . n
1133
+ B 2 7 G 7 1 1 G G2U B . n
1134
+ B 2 8 G 8 2 2 G GUA B . n
1135
+ B 2 9 A 9 3 3 A ADE B . n
1136
+ B 2 10 A 10 4 4 A ADE B . n
1137
+ B 2 11 C 11 5 5 C CYT B . n
1138
+ #
1139
+ loop_
1140
+ _pdbx_nonpoly_scheme.asym_id
1141
+ _pdbx_nonpoly_scheme.entity_id
1142
+ _pdbx_nonpoly_scheme.mon_id
1143
+ _pdbx_nonpoly_scheme.ndb_seq_num
1144
+ _pdbx_nonpoly_scheme.pdb_seq_num
1145
+ _pdbx_nonpoly_scheme.auth_seq_num
1146
+ _pdbx_nonpoly_scheme.pdb_mon_id
1147
+ _pdbx_nonpoly_scheme.auth_mon_id
1148
+ _pdbx_nonpoly_scheme.pdb_strand_id
1149
+ _pdbx_nonpoly_scheme.pdb_ins_code
1150
+ C 3 MG 1 103 103 MG MG A .
1151
+ D 3 MG 1 108 108 MG MG B .
1152
+ E 3 MG 1 109 109 MG MG B .
1153
+ F 3 MG 1 104 104 MG MG B .
1154
+ G 3 MG 1 140 140 MG MG B .
1155
+ H 4 HOH 1 110 110 HOH HOH A .
1156
+ H 4 HOH 2 118 118 HOH HOH A .
1157
+ H 4 HOH 3 122 122 HOH HOH A .
1158
+ H 4 HOH 4 127 127 HOH HOH A .
1159
+ I 4 HOH 1 101 101 HOH HOH B .
1160
+ I 4 HOH 2 102 102 HOH HOH B .
1161
+ I 4 HOH 3 105 105 HOH HOH B .
1162
+ I 4 HOH 4 112 112 HOH HOH B .
1163
+ I 4 HOH 5 130 130 HOH HOH B .
1164
+ I 4 HOH 6 134 134 HOH HOH B .
1165
+ I 4 HOH 7 136 136 HOH HOH B .
1166
+ I 4 HOH 8 137 137 HOH HOH B .
1167
+ #
1168
+ _pdbx_struct_assembly.id 1
1169
+ _pdbx_struct_assembly.details author_and_software_defined_assembly
1170
+ _pdbx_struct_assembly.method_details PISA
1171
+ _pdbx_struct_assembly.oligomeric_details dimeric
1172
+ _pdbx_struct_assembly.oligomeric_count 2
1173
+ #
1174
+ _pdbx_struct_assembly_gen.assembly_id 1
1175
+ _pdbx_struct_assembly_gen.oper_expression 1
1176
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I
1177
+ #
1178
+ loop_
1179
+ _pdbx_struct_assembly_prop.biol_id
1180
+ _pdbx_struct_assembly_prop.type
1181
+ _pdbx_struct_assembly_prop.value
1182
+ _pdbx_struct_assembly_prop.details
1183
+ 1 'ABSA (A^2)' 1620 ?
1184
+ 1 MORE -38 ?
1185
+ 1 'SSA (A^2)' 4030 ?
1186
+ #
1187
+ _pdbx_struct_oper_list.id 1
1188
+ _pdbx_struct_oper_list.type 'identity operation'
1189
+ _pdbx_struct_oper_list.name 1_555
1190
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
1191
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
1192
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
1193
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
1194
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
1195
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
1196
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
1197
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
1198
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
1199
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
1200
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
1201
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
1202
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
1203
+ #
1204
+ loop_
1205
+ _pdbx_audit_revision_history.ordinal
1206
+ _pdbx_audit_revision_history.data_content_type
1207
+ _pdbx_audit_revision_history.major_revision
1208
+ _pdbx_audit_revision_history.minor_revision
1209
+ _pdbx_audit_revision_history.revision_date
1210
+ 1 'Structure model' 1 0 2009-02-24
1211
+ 2 'Structure model' 1 1 2011-07-13
1212
+ 3 'Structure model' 1 2 2023-09-06
1213
+ #
1214
+ _pdbx_audit_revision_details.ordinal 1
1215
+ _pdbx_audit_revision_details.revision_ordinal 1
1216
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
1217
+ _pdbx_audit_revision_details.provider repository
1218
+ _pdbx_audit_revision_details.type 'Initial release'
1219
+ _pdbx_audit_revision_details.description ?
1220
+ _pdbx_audit_revision_details.details ?
1221
+ #
1222
+ loop_
1223
+ _pdbx_audit_revision_group.ordinal
1224
+ _pdbx_audit_revision_group.revision_ordinal
1225
+ _pdbx_audit_revision_group.data_content_type
1226
+ _pdbx_audit_revision_group.group
1227
+ 1 2 'Structure model' 'Version format compliance'
1228
+ 2 3 'Structure model' Advisory
1229
+ 3 3 'Structure model' 'Data collection'
1230
+ 4 3 'Structure model' 'Database references'
1231
+ 5 3 'Structure model' 'Derived calculations'
1232
+ 6 3 'Structure model' 'Refinement description'
1233
+ #
1234
+ loop_
1235
+ _pdbx_audit_revision_category.ordinal
1236
+ _pdbx_audit_revision_category.revision_ordinal
1237
+ _pdbx_audit_revision_category.data_content_type
1238
+ _pdbx_audit_revision_category.category
1239
+ 1 3 'Structure model' chem_comp_atom
1240
+ 2 3 'Structure model' chem_comp_bond
1241
+ 3 3 'Structure model' database_2
1242
+ 4 3 'Structure model' pdbx_initial_refinement_model
1243
+ 5 3 'Structure model' pdbx_validate_polymer_linkage
1244
+ 6 3 'Structure model' struct_conn
1245
+ 7 3 'Structure model' struct_site
1246
+ #
1247
+ loop_
1248
+ _pdbx_audit_revision_item.ordinal
1249
+ _pdbx_audit_revision_item.revision_ordinal
1250
+ _pdbx_audit_revision_item.data_content_type
1251
+ _pdbx_audit_revision_item.item
1252
+ 1 3 'Structure model' '_database_2.pdbx_DOI'
1253
+ 2 3 'Structure model' '_database_2.pdbx_database_accession'
1254
+ 3 3 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'
1255
+ 4 3 'Structure model' '_struct_site.pdbx_auth_asym_id'
1256
+ 5 3 'Structure model' '_struct_site.pdbx_auth_comp_id'
1257
+ 6 3 'Structure model' '_struct_site.pdbx_auth_seq_id'
1258
+ #
1259
+ loop_
1260
+ _software.name
1261
+ _software.classification
1262
+ _software.version
1263
+ _software.citation_id
1264
+ _software.pdbx_ordinal
1265
+ ADSC 'data collection' Quantum ? 1
1266
+ EPMR phasing . ? 2
1267
+ CNS refinement 1.1 ? 3
1268
+ DENZO 'data reduction' . ? 4
1269
+ SCALEPACK 'data scaling' . ? 5
1270
+ #
1271
+ _pdbx_validate_rmsd_angle.id 1
1272
+ _pdbx_validate_rmsd_angle.PDB_model_num 1
1273
+ _pdbx_validate_rmsd_angle.auth_atom_id_1 N9
1274
+ _pdbx_validate_rmsd_angle.auth_asym_id_1 A
1275
+ _pdbx_validate_rmsd_angle.auth_comp_id_1 G
1276
+ _pdbx_validate_rmsd_angle.auth_seq_id_1 47
1277
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
1278
+ _pdbx_validate_rmsd_angle.label_alt_id_1 ?
1279
+ _pdbx_validate_rmsd_angle.auth_atom_id_2 "C1'"
1280
+ _pdbx_validate_rmsd_angle.auth_asym_id_2 A
1281
+ _pdbx_validate_rmsd_angle.auth_comp_id_2 G
1282
+ _pdbx_validate_rmsd_angle.auth_seq_id_2 47
1283
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
1284
+ _pdbx_validate_rmsd_angle.label_alt_id_2 ?
1285
+ _pdbx_validate_rmsd_angle.auth_atom_id_3 "C2'"
1286
+ _pdbx_validate_rmsd_angle.auth_asym_id_3 A
1287
+ _pdbx_validate_rmsd_angle.auth_comp_id_3 G
1288
+ _pdbx_validate_rmsd_angle.auth_seq_id_3 47
1289
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
1290
+ _pdbx_validate_rmsd_angle.label_alt_id_3 ?
1291
+ _pdbx_validate_rmsd_angle.angle_value 123.11
1292
+ _pdbx_validate_rmsd_angle.angle_target_value 114.00
1293
+ _pdbx_validate_rmsd_angle.angle_deviation 9.11
1294
+ _pdbx_validate_rmsd_angle.angle_standard_deviation 1.30
1295
+ _pdbx_validate_rmsd_angle.linker_flag N
1296
+ #
1297
+ loop_
1298
+ _chem_comp_atom.comp_id
1299
+ _chem_comp_atom.atom_id
1300
+ _chem_comp_atom.type_symbol
1301
+ _chem_comp_atom.pdbx_aromatic_flag
1302
+ _chem_comp_atom.pdbx_stereo_config
1303
+ _chem_comp_atom.pdbx_ordinal
1304
+ A OP3 O N N 1
1305
+ A P P N N 2
1306
+ A OP1 O N N 3
1307
+ A OP2 O N N 4
1308
+ A "O5'" O N N 5
1309
+ A "C5'" C N N 6
1310
+ A "C4'" C N R 7
1311
+ A "O4'" O N N 8
1312
+ A "C3'" C N S 9
1313
+ A "O3'" O N N 10
1314
+ A "C2'" C N R 11
1315
+ A "O2'" O N N 12
1316
+ A "C1'" C N R 13
1317
+ A N9 N Y N 14
1318
+ A C8 C Y N 15
1319
+ A N7 N Y N 16
1320
+ A C5 C Y N 17
1321
+ A C6 C Y N 18
1322
+ A N6 N N N 19
1323
+ A N1 N Y N 20
1324
+ A C2 C Y N 21
1325
+ A N3 N Y N 22
1326
+ A C4 C Y N 23
1327
+ A HOP3 H N N 24
1328
+ A HOP2 H N N 25
1329
+ A "H5'" H N N 26
1330
+ A "H5''" H N N 27
1331
+ A "H4'" H N N 28
1332
+ A "H3'" H N N 29
1333
+ A "HO3'" H N N 30
1334
+ A "H2'" H N N 31
1335
+ A "HO2'" H N N 32
1336
+ A "H1'" H N N 33
1337
+ A H8 H N N 34
1338
+ A H61 H N N 35
1339
+ A H62 H N N 36
1340
+ A H2 H N N 37
1341
+ C OP3 O N N 38
1342
+ C P P N N 39
1343
+ C OP1 O N N 40
1344
+ C OP2 O N N 41
1345
+ C "O5'" O N N 42
1346
+ C "C5'" C N N 43
1347
+ C "C4'" C N R 44
1348
+ C "O4'" O N N 45
1349
+ C "C3'" C N S 46
1350
+ C "O3'" O N N 47
1351
+ C "C2'" C N R 48
1352
+ C "O2'" O N N 49
1353
+ C "C1'" C N R 50
1354
+ C N1 N N N 51
1355
+ C C2 C N N 52
1356
+ C O2 O N N 53
1357
+ C N3 N N N 54
1358
+ C C4 C N N 55
1359
+ C N4 N N N 56
1360
+ C C5 C N N 57
1361
+ C C6 C N N 58
1362
+ C HOP3 H N N 59
1363
+ C HOP2 H N N 60
1364
+ C "H5'" H N N 61
1365
+ C "H5''" H N N 62
1366
+ C "H4'" H N N 63
1367
+ C "H3'" H N N 64
1368
+ C "HO3'" H N N 65
1369
+ C "H2'" H N N 66
1370
+ C "HO2'" H N N 67
1371
+ C "H1'" H N N 68
1372
+ C H41 H N N 69
1373
+ C H42 H N N 70
1374
+ C H5 H N N 71
1375
+ C H6 H N N 72
1376
+ G OP3 O N N 73
1377
+ G P P N N 74
1378
+ G OP1 O N N 75
1379
+ G OP2 O N N 76
1380
+ G "O5'" O N N 77
1381
+ G "C5'" C N N 78
1382
+ G "C4'" C N R 79
1383
+ G "O4'" O N N 80
1384
+ G "C3'" C N S 81
1385
+ G "O3'" O N N 82
1386
+ G "C2'" C N R 83
1387
+ G "O2'" O N N 84
1388
+ G "C1'" C N R 85
1389
+ G N9 N Y N 86
1390
+ G C8 C Y N 87
1391
+ G N7 N Y N 88
1392
+ G C5 C Y N 89
1393
+ G C6 C N N 90
1394
+ G O6 O N N 91
1395
+ G N1 N N N 92
1396
+ G C2 C N N 93
1397
+ G N2 N N N 94
1398
+ G N3 N N N 95
1399
+ G C4 C Y N 96
1400
+ G HOP3 H N N 97
1401
+ G HOP2 H N N 98
1402
+ G "H5'" H N N 99
1403
+ G "H5''" H N N 100
1404
+ G "H4'" H N N 101
1405
+ G "H3'" H N N 102
1406
+ G "HO3'" H N N 103
1407
+ G "H2'" H N N 104
1408
+ G "HO2'" H N N 105
1409
+ G "H1'" H N N 106
1410
+ G H8 H N N 107
1411
+ G H1 H N N 108
1412
+ G H21 H N N 109
1413
+ G H22 H N N 110
1414
+ HOH O O N N 111
1415
+ HOH H1 H N N 112
1416
+ HOH H2 H N N 113
1417
+ MG MG MG N N 114
1418
+ U OP3 O N N 115
1419
+ U P P N N 116
1420
+ U OP1 O N N 117
1421
+ U OP2 O N N 118
1422
+ U "O5'" O N N 119
1423
+ U "C5'" C N N 120
1424
+ U "C4'" C N R 121
1425
+ U "O4'" O N N 122
1426
+ U "C3'" C N S 123
1427
+ U "O3'" O N N 124
1428
+ U "C2'" C N R 125
1429
+ U "O2'" O N N 126
1430
+ U "C1'" C N R 127
1431
+ U N1 N N N 128
1432
+ U C2 C N N 129
1433
+ U O2 O N N 130
1434
+ U N3 N N N 131
1435
+ U C4 C N N 132
1436
+ U O4 O N N 133
1437
+ U C5 C N N 134
1438
+ U C6 C N N 135
1439
+ U HOP3 H N N 136
1440
+ U HOP2 H N N 137
1441
+ U "H5'" H N N 138
1442
+ U "H5''" H N N 139
1443
+ U "H4'" H N N 140
1444
+ U "H3'" H N N 141
1445
+ U "HO3'" H N N 142
1446
+ U "H2'" H N N 143
1447
+ U "HO2'" H N N 144
1448
+ U "H1'" H N N 145
1449
+ U H3 H N N 146
1450
+ U H5 H N N 147
1451
+ U H6 H N N 148
1452
+ #
1453
+ loop_
1454
+ _chem_comp_bond.comp_id
1455
+ _chem_comp_bond.atom_id_1
1456
+ _chem_comp_bond.atom_id_2
1457
+ _chem_comp_bond.value_order
1458
+ _chem_comp_bond.pdbx_aromatic_flag
1459
+ _chem_comp_bond.pdbx_stereo_config
1460
+ _chem_comp_bond.pdbx_ordinal
1461
+ A OP3 P sing N N 1
1462
+ A OP3 HOP3 sing N N 2
1463
+ A P OP1 doub N N 3
1464
+ A P OP2 sing N N 4
1465
+ A P "O5'" sing N N 5
1466
+ A OP2 HOP2 sing N N 6
1467
+ A "O5'" "C5'" sing N N 7
1468
+ A "C5'" "C4'" sing N N 8
1469
+ A "C5'" "H5'" sing N N 9
1470
+ A "C5'" "H5''" sing N N 10
1471
+ A "C4'" "O4'" sing N N 11
1472
+ A "C4'" "C3'" sing N N 12
1473
+ A "C4'" "H4'" sing N N 13
1474
+ A "O4'" "C1'" sing N N 14
1475
+ A "C3'" "O3'" sing N N 15
1476
+ A "C3'" "C2'" sing N N 16
1477
+ A "C3'" "H3'" sing N N 17
1478
+ A "O3'" "HO3'" sing N N 18
1479
+ A "C2'" "O2'" sing N N 19
1480
+ A "C2'" "C1'" sing N N 20
1481
+ A "C2'" "H2'" sing N N 21
1482
+ A "O2'" "HO2'" sing N N 22
1483
+ A "C1'" N9 sing N N 23
1484
+ A "C1'" "H1'" sing N N 24
1485
+ A N9 C8 sing Y N 25
1486
+ A N9 C4 sing Y N 26
1487
+ A C8 N7 doub Y N 27
1488
+ A C8 H8 sing N N 28
1489
+ A N7 C5 sing Y N 29
1490
+ A C5 C6 sing Y N 30
1491
+ A C5 C4 doub Y N 31
1492
+ A C6 N6 sing N N 32
1493
+ A C6 N1 doub Y N 33
1494
+ A N6 H61 sing N N 34
1495
+ A N6 H62 sing N N 35
1496
+ A N1 C2 sing Y N 36
1497
+ A C2 N3 doub Y N 37
1498
+ A C2 H2 sing N N 38
1499
+ A N3 C4 sing Y N 39
1500
+ C OP3 P sing N N 40
1501
+ C OP3 HOP3 sing N N 41
1502
+ C P OP1 doub N N 42
1503
+ C P OP2 sing N N 43
1504
+ C P "O5'" sing N N 44
1505
+ C OP2 HOP2 sing N N 45
1506
+ C "O5'" "C5'" sing N N 46
1507
+ C "C5'" "C4'" sing N N 47
1508
+ C "C5'" "H5'" sing N N 48
1509
+ C "C5'" "H5''" sing N N 49
1510
+ C "C4'" "O4'" sing N N 50
1511
+ C "C4'" "C3'" sing N N 51
1512
+ C "C4'" "H4'" sing N N 52
1513
+ C "O4'" "C1'" sing N N 53
1514
+ C "C3'" "O3'" sing N N 54
1515
+ C "C3'" "C2'" sing N N 55
1516
+ C "C3'" "H3'" sing N N 56
1517
+ C "O3'" "HO3'" sing N N 57
1518
+ C "C2'" "O2'" sing N N 58
1519
+ C "C2'" "C1'" sing N N 59
1520
+ C "C2'" "H2'" sing N N 60
1521
+ C "O2'" "HO2'" sing N N 61
1522
+ C "C1'" N1 sing N N 62
1523
+ C "C1'" "H1'" sing N N 63
1524
+ C N1 C2 sing N N 64
1525
+ C N1 C6 sing N N 65
1526
+ C C2 O2 doub N N 66
1527
+ C C2 N3 sing N N 67
1528
+ C N3 C4 doub N N 68
1529
+ C C4 N4 sing N N 69
1530
+ C C4 C5 sing N N 70
1531
+ C N4 H41 sing N N 71
1532
+ C N4 H42 sing N N 72
1533
+ C C5 C6 doub N N 73
1534
+ C C5 H5 sing N N 74
1535
+ C C6 H6 sing N N 75
1536
+ G OP3 P sing N N 76
1537
+ G OP3 HOP3 sing N N 77
1538
+ G P OP1 doub N N 78
1539
+ G P OP2 sing N N 79
1540
+ G P "O5'" sing N N 80
1541
+ G OP2 HOP2 sing N N 81
1542
+ G "O5'" "C5'" sing N N 82
1543
+ G "C5'" "C4'" sing N N 83
1544
+ G "C5'" "H5'" sing N N 84
1545
+ G "C5'" "H5''" sing N N 85
1546
+ G "C4'" "O4'" sing N N 86
1547
+ G "C4'" "C3'" sing N N 87
1548
+ G "C4'" "H4'" sing N N 88
1549
+ G "O4'" "C1'" sing N N 89
1550
+ G "C3'" "O3'" sing N N 90
1551
+ G "C3'" "C2'" sing N N 91
1552
+ G "C3'" "H3'" sing N N 92
1553
+ G "O3'" "HO3'" sing N N 93
1554
+ G "C2'" "O2'" sing N N 94
1555
+ G "C2'" "C1'" sing N N 95
1556
+ G "C2'" "H2'" sing N N 96
1557
+ G "O2'" "HO2'" sing N N 97
1558
+ G "C1'" N9 sing N N 98
1559
+ G "C1'" "H1'" sing N N 99
1560
+ G N9 C8 sing Y N 100
1561
+ G N9 C4 sing Y N 101
1562
+ G C8 N7 doub Y N 102
1563
+ G C8 H8 sing N N 103
1564
+ G N7 C5 sing Y N 104
1565
+ G C5 C6 sing N N 105
1566
+ G C5 C4 doub Y N 106
1567
+ G C6 O6 doub N N 107
1568
+ G C6 N1 sing N N 108
1569
+ G N1 C2 sing N N 109
1570
+ G N1 H1 sing N N 110
1571
+ G C2 N2 sing N N 111
1572
+ G C2 N3 doub N N 112
1573
+ G N2 H21 sing N N 113
1574
+ G N2 H22 sing N N 114
1575
+ G N3 C4 sing N N 115
1576
+ HOH O H1 sing N N 116
1577
+ HOH O H2 sing N N 117
1578
+ U OP3 P sing N N 118
1579
+ U OP3 HOP3 sing N N 119
1580
+ U P OP1 doub N N 120
1581
+ U P OP2 sing N N 121
1582
+ U P "O5'" sing N N 122
1583
+ U OP2 HOP2 sing N N 123
1584
+ U "O5'" "C5'" sing N N 124
1585
+ U "C5'" "C4'" sing N N 125
1586
+ U "C5'" "H5'" sing N N 126
1587
+ U "C5'" "H5''" sing N N 127
1588
+ U "C4'" "O4'" sing N N 128
1589
+ U "C4'" "C3'" sing N N 129
1590
+ U "C4'" "H4'" sing N N 130
1591
+ U "O4'" "C1'" sing N N 131
1592
+ U "C3'" "O3'" sing N N 132
1593
+ U "C3'" "C2'" sing N N 133
1594
+ U "C3'" "H3'" sing N N 134
1595
+ U "O3'" "HO3'" sing N N 135
1596
+ U "C2'" "O2'" sing N N 136
1597
+ U "C2'" "C1'" sing N N 137
1598
+ U "C2'" "H2'" sing N N 138
1599
+ U "O2'" "HO2'" sing N N 139
1600
+ U "C1'" N1 sing N N 140
1601
+ U "C1'" "H1'" sing N N 141
1602
+ U N1 C2 sing N N 142
1603
+ U N1 C6 sing N N 143
1604
+ U C2 O2 doub N N 144
1605
+ U C2 N3 sing N N 145
1606
+ U N3 C4 sing N N 146
1607
+ U N3 H3 sing N N 147
1608
+ U C4 O4 doub N N 148
1609
+ U C4 C5 sing N N 149
1610
+ U C5 C6 doub N N 150
1611
+ U C5 H5 sing N N 151
1612
+ U C6 H6 sing N N 152
1613
+ #
1614
+ loop_
1615
+ _ndb_struct_conf_na.entry_id
1616
+ _ndb_struct_conf_na.feature
1617
+ 3FS0 'double helix'
1618
+ 3FS0 'a-form double helix'
1619
+ 3FS0 'mismatched base pair'
1620
+ 3FS0 'internal loop'
1621
+ #
1622
+ loop_
1623
+ _ndb_struct_na_base_pair.model_number
1624
+ _ndb_struct_na_base_pair.i_label_asym_id
1625
+ _ndb_struct_na_base_pair.i_label_comp_id
1626
+ _ndb_struct_na_base_pair.i_label_seq_id
1627
+ _ndb_struct_na_base_pair.i_symmetry
1628
+ _ndb_struct_na_base_pair.j_label_asym_id
1629
+ _ndb_struct_na_base_pair.j_label_comp_id
1630
+ _ndb_struct_na_base_pair.j_label_seq_id
1631
+ _ndb_struct_na_base_pair.j_symmetry
1632
+ _ndb_struct_na_base_pair.shear
1633
+ _ndb_struct_na_base_pair.stretch
1634
+ _ndb_struct_na_base_pair.stagger
1635
+ _ndb_struct_na_base_pair.buckle
1636
+ _ndb_struct_na_base_pair.propeller
1637
+ _ndb_struct_na_base_pair.opening
1638
+ _ndb_struct_na_base_pair.pair_number
1639
+ _ndb_struct_na_base_pair.pair_name
1640
+ _ndb_struct_na_base_pair.i_auth_asym_id
1641
+ _ndb_struct_na_base_pair.i_auth_seq_id
1642
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1643
+ _ndb_struct_na_base_pair.j_auth_asym_id
1644
+ _ndb_struct_na_base_pair.j_auth_seq_id
1645
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1646
+ _ndb_struct_na_base_pair.hbond_type_28
1647
+ _ndb_struct_na_base_pair.hbond_type_12
1648
+ 1 A G 2 1_555 B C 11 1_555 -0.279 0.069 0.349 -8.420 -17.427 4.566 1 A_G45:C5_B A 45 ? B 5 ? 19 1
1649
+ 1 A U 3 1_555 B A 10 1_555 0.216 -0.072 0.248 4.150 -11.828 5.630 2 A_U46:A4_B A 46 ? B 4 ? 20 1
1650
+ 1 A A 5 1_555 B G 7 1_555 -7.098 -4.312 -0.360 0.035 -4.562 -8.954 3 A_A48:G1_B A 48 ? B 1 ? 11 10
1651
+ 1 A G 6 1_555 B C 6 1_555 -0.699 -0.143 -0.046 0.216 0.838 -0.465 4 A_G49:C-1_B A 49 ? B -1 ? 19 1
1652
+ 1 A G 7 1_555 B U 5 1_555 -2.284 -0.482 -0.139 3.925 -16.567 1.316 5 A_G50:U-2_B A 50 ? B -2 ? 28 ?
1653
+ 1 A C 8 1_555 B G 4 1_555 0.227 -0.167 0.031 2.733 -12.257 2.085 6 A_C51:G-3_B A 51 ? B -3 ? 19 1
1654
+ 1 A U 9 1_555 B A 3 1_555 -0.080 0.151 0.170 -2.132 -15.026 6.636 7 A_U52:A-4_B A 52 ? B -4 ? 20 1
1655
+ 1 A G 10 1_555 B C 2 1_555 -0.431 -0.068 0.232 -6.616 -12.425 1.331 8 A_G53:C-5_B A 53 ? B -5 ? 19 1
1656
+ #
1657
+ loop_
1658
+ _ndb_struct_na_base_pair_step.model_number
1659
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1660
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1661
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1662
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1663
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1664
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1665
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1666
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1667
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1668
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1669
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1670
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1671
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1672
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1673
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1674
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1675
+ _ndb_struct_na_base_pair_step.shift
1676
+ _ndb_struct_na_base_pair_step.slide
1677
+ _ndb_struct_na_base_pair_step.rise
1678
+ _ndb_struct_na_base_pair_step.tilt
1679
+ _ndb_struct_na_base_pair_step.roll
1680
+ _ndb_struct_na_base_pair_step.twist
1681
+ _ndb_struct_na_base_pair_step.x_displacement
1682
+ _ndb_struct_na_base_pair_step.y_displacement
1683
+ _ndb_struct_na_base_pair_step.helical_rise
1684
+ _ndb_struct_na_base_pair_step.inclination
1685
+ _ndb_struct_na_base_pair_step.tip
1686
+ _ndb_struct_na_base_pair_step.helical_twist
1687
+ _ndb_struct_na_base_pair_step.step_number
1688
+ _ndb_struct_na_base_pair_step.step_name
1689
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1690
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1691
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1692
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1693
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1694
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1695
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1696
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1697
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1698
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1699
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1700
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1701
+ 1 A G 2 1_555 B C 11 1_555 A U 3 1_555 B A 10 1_555 0.020 -1.059 3.052 -0.486 5.705 31.261 -2.880 -0.118 2.819 10.476 0.893
1702
+ 31.769 1 AA_G45U46:A4C5_BB A 45 ? B 5 ? A 46 ? B 4 ?
1703
+ 1 A A 5 1_555 B G 7 1_555 A G 6 1_555 B C 6 1_555 0.936 -1.277 3.383 -3.065 2.566 61.807 -1.362 -1.054 3.288 2.496 2.980
1704
+ 61.923 2 AA_A48G49:C-1G1_BB A 48 ? B 1 ? A 49 ? B -1 ?
1705
+ 1 A G 6 1_555 B C 6 1_555 A G 7 1_555 B U 5 1_555 -0.217 -1.925 3.122 -4.943 9.206 27.190 -5.581 -0.507 2.361 18.727 10.054
1706
+ 29.094 3 AA_G49G50:U-2C-1_BB A 49 ? B -1 ? A 50 ? B -2 ?
1707
+ 1 A G 7 1_555 B U 5 1_555 A C 8 1_555 B G 4 1_555 0.028 -1.188 3.311 -3.186 3.332 42.502 -1.963 -0.357 3.203 4.580 4.379
1708
+ 42.740 4 AA_G50C51:G-3U-2_BB A 50 ? B -2 ? A 51 ? B -3 ?
1709
+ 1 A C 8 1_555 B G 4 1_555 A U 9 1_555 B A 3 1_555 0.260 -1.595 3.338 1.400 6.758 32.294 -3.924 -0.226 2.961 11.980 -2.481
1710
+ 33.004 5 AA_C51U52:A-4G-3_BB A 51 ? B -3 ? A 52 ? B -4 ?
1711
+ 1 A U 9 1_555 B A 3 1_555 A G 10 1_555 B C 2 1_555 -0.311 -1.884 3.174 -3.045 12.385 26.223 -6.056 0.052 2.109 25.470 6.262
1712
+ 29.112 6 AA_U52G53:C-5A-4_BB A 52 ? B -4 ? A 53 ? B -5 ?
1713
+ #
1714
+ loop_
1715
+ _pdbx_entity_nonpoly.entity_id
1716
+ _pdbx_entity_nonpoly.name
1717
+ _pdbx_entity_nonpoly.comp_id
1718
+ 3 'MAGNESIUM ION' MG
1719
+ 4 water HOH
1720
+ #
1721
+ _pdbx_initial_refinement_model.id 1
1722
+ _pdbx_initial_refinement_model.entity_id_list ?
1723
+ _pdbx_initial_refinement_model.type 'experimental model'
1724
+ _pdbx_initial_refinement_model.source_name PDB
1725
+ _pdbx_initial_refinement_model.accession_code 3FTM
1726
+ _pdbx_initial_refinement_model.details 'PDB ENTRY 3FTM'
1727
+ #
structures/3j2e.cif ADDED
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structures/3j3v.cif ADDED
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structures/3mum.cif ADDED
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structures/4nfp.cif ADDED
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structures/4pco.cif ADDED
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structures/5b63.cif ADDED
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structures/5btp.cif ADDED
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structures/5da6.cif ADDED
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structures/5ef2.cif ADDED
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structures/5ip2.cif ADDED
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structures/5k36.cif ADDED
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structures/5m0j.cif ADDED
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structures/5nwq.cif ADDED
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structures/5wws.cif ADDED
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structures/5y88.cif ADDED
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structures/6g4s.cif ADDED
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structures/6gml.cif ADDED
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structures/6kle.cif ADDED
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structures/6kup.cif ADDED
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structures/6mxq.cif ADDED
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