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structures/1bz3.cif ADDED
@@ -0,0 +1,1481 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1BZ3
2
+ #
3
+ _entry.id 1BZ3
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 1BZ3 pdb_00001bz3 10.2210/pdb1bz3/pdb
15
+ WWPDB D_1000172153 ? ?
16
+ #
17
+ loop_
18
+ _pdbx_audit_revision_history.ordinal
19
+ _pdbx_audit_revision_history.data_content_type
20
+ _pdbx_audit_revision_history.major_revision
21
+ _pdbx_audit_revision_history.minor_revision
22
+ _pdbx_audit_revision_history.revision_date
23
+ 1 'Structure model' 1 0 1999-04-27
24
+ 2 'Structure model' 1 1 2008-03-24
25
+ 3 'Structure model' 1 2 2011-07-13
26
+ 4 'Structure model' 1 3 2022-02-16
27
+ 5 'Structure model' 1 4 2024-05-22
28
+ #
29
+ _pdbx_audit_revision_details.ordinal 1
30
+ _pdbx_audit_revision_details.revision_ordinal 1
31
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
32
+ _pdbx_audit_revision_details.provider repository
33
+ _pdbx_audit_revision_details.type 'Initial release'
34
+ _pdbx_audit_revision_details.description ?
35
+ _pdbx_audit_revision_details.details ?
36
+ #
37
+ loop_
38
+ _pdbx_audit_revision_group.ordinal
39
+ _pdbx_audit_revision_group.revision_ordinal
40
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41
+ _pdbx_audit_revision_group.group
42
+ 1 2 'Structure model' 'Version format compliance'
43
+ 2 3 'Structure model' 'Version format compliance'
44
+ 3 4 'Structure model' 'Data collection'
45
+ 4 4 'Structure model' 'Database references'
46
+ 5 4 'Structure model' 'Derived calculations'
47
+ 6 4 'Structure model' Other
48
+ 7 5 'Structure model' 'Data collection'
49
+ #
50
+ loop_
51
+ _pdbx_audit_revision_category.ordinal
52
+ _pdbx_audit_revision_category.revision_ordinal
53
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54
+ _pdbx_audit_revision_category.category
55
+ 1 4 'Structure model' database_2
56
+ 2 4 'Structure model' pdbx_database_status
57
+ 3 4 'Structure model' pdbx_nmr_software
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
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66
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67
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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_database_status.process_site'
71
+ 4 4 'Structure model' '_pdbx_nmr_software.name'
72
+ #
73
+ _pdbx_database_status.status_code REL
74
+ _pdbx_database_status.entry_id 1BZ3
75
+ _pdbx_database_status.recvd_initial_deposition_date 1998-11-05
76
+ _pdbx_database_status.deposit_site ?
77
+ _pdbx_database_status.process_site BNL
78
+ _pdbx_database_status.status_code_sf ?
79
+ _pdbx_database_status.status_code_mr REL
80
+ _pdbx_database_status.SG_entry ?
81
+ _pdbx_database_status.pdb_format_compatible Y
82
+ _pdbx_database_status.status_code_cs ?
83
+ _pdbx_database_status.status_code_nmr_data ?
84
+ _pdbx_database_status.methods_development_category ?
85
+ #
86
+ loop_
87
+ _audit_author.name
88
+ _audit_author.pdbx_ordinal
89
+ 'Durant, P.C.' 1
90
+ 'Davis, D.R.' 2
91
+ #
92
+ _citation.id primary
93
+ _citation.title
94
+ 'Stabilization of the anticodon stem-loop of tRNALys,3 by an A+-C base-pair and by pseudouridine.'
95
+ _citation.journal_abbrev J.Mol.Biol.
96
+ _citation.journal_volume 285
97
+ _citation.page_first 115
98
+ _citation.page_last 131
99
+ _citation.year 1999
100
+ _citation.journal_id_ASTM JMOBAK
101
+ _citation.country UK
102
+ _citation.journal_id_ISSN 0022-2836
103
+ _citation.journal_id_CSD 0070
104
+ _citation.book_publisher ?
105
+ _citation.pdbx_database_id_PubMed 9878393
106
+ _citation.pdbx_database_id_DOI 10.1006/jmbi.1998.2297
107
+ #
108
+ loop_
109
+ _citation_author.citation_id
110
+ _citation_author.name
111
+ _citation_author.ordinal
112
+ _citation_author.identifier_ORCID
113
+ primary 'Durant, P.C.' 1 ?
114
+ primary 'Davis, D.R.' 2 ?
115
+ #
116
+ _entity.id 1
117
+ _entity.type polymer
118
+ _entity.src_method syn
119
+ _entity.pdbx_description TRNA
120
+ _entity.formula_weight 5350.189
121
+ _entity.pdbx_number_of_molecules 1
122
+ _entity.pdbx_ec ?
123
+ _entity.pdbx_mutation ?
124
+ _entity.pdbx_fragment 'ANTICODON (RESIDUES 27-43)'
125
+ _entity.details ?
126
+ #
127
+ _entity_poly.entity_id 1
128
+ _entity_poly.type polyribonucleotide
129
+ _entity_poly.nstd_linkage no
130
+ _entity_poly.nstd_monomer no
131
+ _entity_poly.pdbx_seq_one_letter_code UCAGACUUUUAAUCUGA
132
+ _entity_poly.pdbx_seq_one_letter_code_can UCAGACUUUUAAUCUGA
133
+ _entity_poly.pdbx_strand_id A
134
+ _entity_poly.pdbx_target_identifier ?
135
+ #
136
+ loop_
137
+ _entity_poly_seq.entity_id
138
+ _entity_poly_seq.num
139
+ _entity_poly_seq.mon_id
140
+ _entity_poly_seq.hetero
141
+ 1 1 U n
142
+ 1 2 C n
143
+ 1 3 A n
144
+ 1 4 G n
145
+ 1 5 A n
146
+ 1 6 C n
147
+ 1 7 U n
148
+ 1 8 U n
149
+ 1 9 U n
150
+ 1 10 U n
151
+ 1 11 A n
152
+ 1 12 A n
153
+ 1 13 U n
154
+ 1 14 C n
155
+ 1 15 U n
156
+ 1 16 G n
157
+ 1 17 A n
158
+ #
159
+ loop_
160
+ _chem_comp.id
161
+ _chem_comp.type
162
+ _chem_comp.mon_nstd_flag
163
+ _chem_comp.name
164
+ _chem_comp.pdbx_synonyms
165
+ _chem_comp.formula
166
+ _chem_comp.formula_weight
167
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
168
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
169
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
170
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
171
+ #
172
+ loop_
173
+ _pdbx_poly_seq_scheme.asym_id
174
+ _pdbx_poly_seq_scheme.entity_id
175
+ _pdbx_poly_seq_scheme.seq_id
176
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177
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178
+ _pdbx_poly_seq_scheme.pdb_seq_num
179
+ _pdbx_poly_seq_scheme.auth_seq_num
180
+ _pdbx_poly_seq_scheme.pdb_mon_id
181
+ _pdbx_poly_seq_scheme.auth_mon_id
182
+ _pdbx_poly_seq_scheme.pdb_strand_id
183
+ _pdbx_poly_seq_scheme.pdb_ins_code
184
+ _pdbx_poly_seq_scheme.hetero
185
+ A 1 1 U 1 27 27 U U A . n
186
+ A 1 2 C 2 28 28 C C A . n
187
+ A 1 3 A 3 29 29 A A A . n
188
+ A 1 4 G 4 30 30 G G A . n
189
+ A 1 5 A 5 31 31 A A A . n
190
+ A 1 6 C 6 32 32 C C A . n
191
+ A 1 7 U 7 33 33 U U A . n
192
+ A 1 8 U 8 34 34 U U A . n
193
+ A 1 9 U 9 35 35 U U A . n
194
+ A 1 10 U 10 36 36 U U A . n
195
+ A 1 11 A 11 37 37 A A A . n
196
+ A 1 12 A 12 38 38 A A A . n
197
+ A 1 13 U 13 39 39 U U A . n
198
+ A 1 14 C 14 40 40 C C A . n
199
+ A 1 15 U 15 41 41 U U A . n
200
+ A 1 16 G 16 42 42 G G A . n
201
+ A 1 17 A 17 43 43 A A A . n
202
+ #
203
+ loop_
204
+ _software.name
205
+ _software.classification
206
+ _software.version
207
+ _software.citation_id
208
+ _software.pdbx_ordinal
209
+ VNMR 'model building' . ? 1
210
+ AMBER refinement . ? 2
211
+ VNMR phasing . ? 3
212
+ #
213
+ _cell.entry_id 1BZ3
214
+ _cell.length_a 1.000
215
+ _cell.length_b 1.000
216
+ _cell.length_c 1.000
217
+ _cell.angle_alpha 90.00
218
+ _cell.angle_beta 90.00
219
+ _cell.angle_gamma 90.00
220
+ _cell.Z_PDB 1
221
+ _cell.pdbx_unique_axis ?
222
+ #
223
+ _symmetry.entry_id 1BZ3
224
+ _symmetry.space_group_name_H-M 'P 1'
225
+ _symmetry.pdbx_full_space_group_name_H-M ?
226
+ _symmetry.cell_setting ?
227
+ _symmetry.Int_Tables_number 1
228
+ #
229
+ _exptl.entry_id 1BZ3
230
+ _exptl.method 'SOLUTION NMR'
231
+ _exptl.crystals_number ?
232
+ #
233
+ _database_PDB_matrix.entry_id 1BZ3
234
+ _database_PDB_matrix.origx[1][1] 1.000000
235
+ _database_PDB_matrix.origx[1][2] 0.000000
236
+ _database_PDB_matrix.origx[1][3] 0.000000
237
+ _database_PDB_matrix.origx[2][1] 0.000000
238
+ _database_PDB_matrix.origx[2][2] 1.000000
239
+ _database_PDB_matrix.origx[2][3] 0.000000
240
+ _database_PDB_matrix.origx[3][1] 0.000000
241
+ _database_PDB_matrix.origx[3][2] 0.000000
242
+ _database_PDB_matrix.origx[3][3] 1.000000
243
+ _database_PDB_matrix.origx_vector[1] 0.00000
244
+ _database_PDB_matrix.origx_vector[2] 0.00000
245
+ _database_PDB_matrix.origx_vector[3] 0.00000
246
+ #
247
+ _struct.entry_id 1BZ3
248
+ _struct.title
249
+ 'STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS,3 BY AN A+C BASE PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE'
250
+ _struct.pdbx_model_details ?
251
+ _struct.pdbx_CASP_flag ?
252
+ _struct.pdbx_model_type_details ?
253
+ #
254
+ _struct_keywords.entry_id 1BZ3
255
+ _struct_keywords.pdbx_keywords RNA
256
+ _struct_keywords.text 'TRNA, PSEUDOURIDINE, ANTICODON, RNA'
257
+ #
258
+ _struct_asym.id A
259
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
260
+ _struct_asym.pdbx_modified N
261
+ _struct_asym.entity_id 1
262
+ _struct_asym.details ?
263
+ #
264
+ _struct_ref.id 1
265
+ _struct_ref.entity_id 1
266
+ _struct_ref.db_name PDB
267
+ _struct_ref.db_code 1BZ3
268
+ _struct_ref.pdbx_db_accession 1BZ3
269
+ _struct_ref.pdbx_db_isoform ?
270
+ _struct_ref.pdbx_seq_one_letter_code ?
271
+ _struct_ref.pdbx_align_begin ?
272
+ #
273
+ _struct_ref_seq.align_id 1
274
+ _struct_ref_seq.ref_id 1
275
+ _struct_ref_seq.pdbx_PDB_id_code 1BZ3
276
+ _struct_ref_seq.pdbx_strand_id A
277
+ _struct_ref_seq.seq_align_beg 1
278
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
279
+ _struct_ref_seq.seq_align_end 17
280
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
281
+ _struct_ref_seq.pdbx_db_accession 1BZ3
282
+ _struct_ref_seq.db_align_beg 27
283
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
284
+ _struct_ref_seq.db_align_end 43
285
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
286
+ _struct_ref_seq.pdbx_auth_seq_align_beg 27
287
+ _struct_ref_seq.pdbx_auth_seq_align_end 43
288
+ #
289
+ _pdbx_struct_assembly.id 1
290
+ _pdbx_struct_assembly.details author_defined_assembly
291
+ _pdbx_struct_assembly.method_details ?
292
+ _pdbx_struct_assembly.oligomeric_details monomeric
293
+ _pdbx_struct_assembly.oligomeric_count 1
294
+ #
295
+ _pdbx_struct_assembly_gen.assembly_id 1
296
+ _pdbx_struct_assembly_gen.oper_expression 1
297
+ _pdbx_struct_assembly_gen.asym_id_list A
298
+ #
299
+ _pdbx_struct_oper_list.id 1
300
+ _pdbx_struct_oper_list.type 'identity operation'
301
+ _pdbx_struct_oper_list.name 1_555
302
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
303
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
304
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
305
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
306
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
307
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
308
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
309
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
310
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
311
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
312
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
313
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
314
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
315
+ #
316
+ _struct_biol.id 1
317
+ #
318
+ loop_
319
+ _struct_conn.id
320
+ _struct_conn.conn_type_id
321
+ _struct_conn.pdbx_leaving_atom_flag
322
+ _struct_conn.pdbx_PDB_id
323
+ _struct_conn.ptnr1_label_asym_id
324
+ _struct_conn.ptnr1_label_comp_id
325
+ _struct_conn.ptnr1_label_seq_id
326
+ _struct_conn.ptnr1_label_atom_id
327
+ _struct_conn.pdbx_ptnr1_label_alt_id
328
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
329
+ _struct_conn.pdbx_ptnr1_standard_comp_id
330
+ _struct_conn.ptnr1_symmetry
331
+ _struct_conn.ptnr2_label_asym_id
332
+ _struct_conn.ptnr2_label_comp_id
333
+ _struct_conn.ptnr2_label_seq_id
334
+ _struct_conn.ptnr2_label_atom_id
335
+ _struct_conn.pdbx_ptnr2_label_alt_id
336
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
337
+ _struct_conn.ptnr1_auth_asym_id
338
+ _struct_conn.ptnr1_auth_comp_id
339
+ _struct_conn.ptnr1_auth_seq_id
340
+ _struct_conn.ptnr2_auth_asym_id
341
+ _struct_conn.ptnr2_auth_comp_id
342
+ _struct_conn.ptnr2_auth_seq_id
343
+ _struct_conn.ptnr2_symmetry
344
+ _struct_conn.pdbx_ptnr3_label_atom_id
345
+ _struct_conn.pdbx_ptnr3_label_seq_id
346
+ _struct_conn.pdbx_ptnr3_label_comp_id
347
+ _struct_conn.pdbx_ptnr3_label_asym_id
348
+ _struct_conn.pdbx_ptnr3_label_alt_id
349
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
350
+ _struct_conn.details
351
+ _struct_conn.pdbx_dist_value
352
+ _struct_conn.pdbx_value_order
353
+ _struct_conn.pdbx_role
354
+ hydrog1 hydrog ? ? A U 1 N3 ? ? ? 1_555 A A 17 N1 ? ? A U 27 A A 43 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
355
+ hydrog2 hydrog ? ? A U 1 O4 ? ? ? 1_555 A A 17 N6 ? ? A U 27 A A 43 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
356
+ hydrog3 hydrog ? ? A C 2 N3 ? ? ? 1_555 A G 16 N1 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
357
+ hydrog4 hydrog ? ? A C 2 N4 ? ? ? 1_555 A G 16 O6 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
358
+ hydrog5 hydrog ? ? A C 2 O2 ? ? ? 1_555 A G 16 N2 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
359
+ hydrog6 hydrog ? ? A A 3 N1 ? ? ? 1_555 A U 15 N3 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
360
+ hydrog7 hydrog ? ? A A 3 N6 ? ? ? 1_555 A U 15 O4 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
361
+ hydrog8 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 14 N3 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
362
+ hydrog9 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 14 O2 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
363
+ hydrog10 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 14 N4 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
364
+ hydrog11 hydrog ? ? A A 5 N1 ? ? ? 1_555 A U 13 N3 ? ? A A 31 A U 39 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
365
+ hydrog12 hydrog ? ? A A 5 N6 ? ? ? 1_555 A U 13 O4 ? ? A A 31 A U 39 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
366
+ hydrog13 hydrog ? ? A C 6 N3 ? ? ? 1_555 A A 12 N6 ? ? A C 32 A A 38 1_555 ? ? ? ? ? ? 'C-A MISPAIR' ? ? ?
367
+ hydrog14 hydrog ? ? A U 7 N3 ? ? ? 1_555 A A 11 N1 ? ? A U 33 A A 37 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
368
+ hydrog15 hydrog ? ? A U 7 O4 ? ? ? 1_555 A A 11 N6 ? ? A U 33 A A 37 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
369
+ #
370
+ _struct_conn_type.id hydrog
371
+ _struct_conn_type.criteria ?
372
+ _struct_conn_type.reference ?
373
+ #
374
+ _pdbx_validate_close_contact.id 1
375
+ _pdbx_validate_close_contact.PDB_model_num 1
376
+ _pdbx_validate_close_contact.auth_atom_id_1 "HO2'"
377
+ _pdbx_validate_close_contact.auth_asym_id_1 A
378
+ _pdbx_validate_close_contact.auth_comp_id_1 U
379
+ _pdbx_validate_close_contact.auth_seq_id_1 35
380
+ _pdbx_validate_close_contact.PDB_ins_code_1 ?
381
+ _pdbx_validate_close_contact.label_alt_id_1 ?
382
+ _pdbx_validate_close_contact.auth_atom_id_2 OP2
383
+ _pdbx_validate_close_contact.auth_asym_id_2 A
384
+ _pdbx_validate_close_contact.auth_comp_id_2 U
385
+ _pdbx_validate_close_contact.auth_seq_id_2 36
386
+ _pdbx_validate_close_contact.PDB_ins_code_2 ?
387
+ _pdbx_validate_close_contact.label_alt_id_2 ?
388
+ _pdbx_validate_close_contact.dist 1.55
389
+ #
390
+ loop_
391
+ _pdbx_validate_rmsd_angle.id
392
+ _pdbx_validate_rmsd_angle.PDB_model_num
393
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
394
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
395
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
396
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
397
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
398
+ _pdbx_validate_rmsd_angle.label_alt_id_1
399
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
400
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
401
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
402
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
403
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
404
+ _pdbx_validate_rmsd_angle.label_alt_id_2
405
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
406
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
407
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
408
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
409
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
410
+ _pdbx_validate_rmsd_angle.label_alt_id_3
411
+ _pdbx_validate_rmsd_angle.angle_value
412
+ _pdbx_validate_rmsd_angle.angle_target_value
413
+ _pdbx_validate_rmsd_angle.angle_deviation
414
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
415
+ _pdbx_validate_rmsd_angle.linker_flag
416
+ 1 1 "O4'" A U 27 ? ? "C1'" A U 27 ? ? N1 A U 27 ? ? 113.23 108.50 4.73 0.70 N
417
+ 2 1 "O4'" A U 34 ? ? "C1'" A U 34 ? ? N1 A U 34 ? ? 102.50 108.20 -5.70 0.80 N
418
+ 3 1 "O4'" A U 36 ? ? "C1'" A U 36 ? ? N1 A U 36 ? ? 113.75 108.50 5.25 0.70 N
419
+ 4 1 "O5'" A A 37 ? ? "C5'" A A 37 ? ? "C4'" A A 37 ? ? 100.49 109.40 -8.91 0.80 N
420
+ 5 1 "C3'" A A 37 ? ? "C2'" A A 37 ? ? "C1'" A A 37 ? ? 108.27 101.50 6.77 0.80 N
421
+ 6 1 N9 A A 37 ? ? "C1'" A A 37 ? ? "C2'" A A 37 ? ? 105.23 112.00 -6.77 1.10 N
422
+ 7 1 "O4'" A A 37 ? ? "C1'" A A 37 ? ? N9 A A 37 ? ? 114.01 108.50 5.51 0.70 N
423
+ 8 1 "O4'" A A 38 ? ? "C1'" A A 38 ? ? N9 A A 38 ? ? 113.41 108.50 4.91 0.70 N
424
+ 9 1 C8 A A 38 ? ? N9 A A 38 ? ? C4 A A 38 ? ? 108.66 105.80 2.86 0.40 N
425
+ 10 1 "O4'" A U 39 ? ? "C1'" A U 39 ? ? N1 A U 39 ? ? 112.91 108.50 4.41 0.70 N
426
+ #
427
+ _pdbx_validate_planes.id 1
428
+ _pdbx_validate_planes.PDB_model_num 1
429
+ _pdbx_validate_planes.auth_comp_id C
430
+ _pdbx_validate_planes.auth_asym_id A
431
+ _pdbx_validate_planes.auth_seq_id 32
432
+ _pdbx_validate_planes.PDB_ins_code ?
433
+ _pdbx_validate_planes.label_alt_id ?
434
+ _pdbx_validate_planes.rmsd 0.058
435
+ _pdbx_validate_planes.type 'SIDE CHAIN'
436
+ #
437
+ _pdbx_nmr_ensemble.entry_id 1BZ3
438
+ _pdbx_nmr_ensemble.conformers_calculated_total_number 60
439
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
440
+ _pdbx_nmr_ensemble.conformer_selection_criteria 'LEAST RESTRAINT VIOLATION'
441
+ #
442
+ _pdbx_nmr_sample_details.solution_id 1
443
+ _pdbx_nmr_sample_details.contents H2O/D2O
444
+ #
445
+ _pdbx_nmr_exptl_sample_conditions.conditions_id 1
446
+ _pdbx_nmr_exptl_sample_conditions.temperature 303
447
+ _pdbx_nmr_exptl_sample_conditions.pressure ?
448
+ _pdbx_nmr_exptl_sample_conditions.pH 5
449
+ _pdbx_nmr_exptl_sample_conditions.ionic_strength '100 mM NACL'
450
+ _pdbx_nmr_exptl_sample_conditions.pressure_units .
451
+ _pdbx_nmr_exptl_sample_conditions.temperature_units K
452
+ #
453
+ loop_
454
+ _pdbx_nmr_exptl.experiment_id
455
+ _pdbx_nmr_exptl.conditions_id
456
+ _pdbx_nmr_exptl.type
457
+ _pdbx_nmr_exptl.solution_id
458
+ 1 1 NOESY 1
459
+ 2 1 ROESY 1
460
+ 3 1 TOCSY 1
461
+ 4 1 HMQC 1
462
+ 5 1 '1H-31P COSY' 1
463
+ 6 1 '1H-31P HETERO-TOCSY-TOCSY' 1
464
+ 7 1 DQCOSY 1
465
+ #
466
+ _pdbx_nmr_details.entry_id 1BZ3
467
+ _pdbx_nmr_details.text
468
+ ;LOWEST RMSD DIFFERENCE FROM AVERAGE STRUCTURE. STRUCTURE WAS DETERMINED USING RESTRAINTS FROM HOMONUCLEAR ROESY, DQCOSY AND NOESY DATA. ASSIGNMENTS WERE MADE WITH A COMBINATION OF ROESY, NOESY, TOCSY, 1H-13C HMQC AND 1H-31P.
469
+ ;
470
+ #
471
+ _pdbx_nmr_refine.entry_id 1BZ3
472
+ _pdbx_nmr_refine.method 'molecular dynamics'
473
+ _pdbx_nmr_refine.details 'AMBER FORCEFIELD'
474
+ _pdbx_nmr_refine.software_ordinal 1
475
+ #
476
+ loop_
477
+ _pdbx_nmr_software.classification
478
+ _pdbx_nmr_software.name
479
+ _pdbx_nmr_software.version
480
+ _pdbx_nmr_software.authors
481
+ _pdbx_nmr_software.ordinal
482
+ refinement Discover 95 MSI 1
483
+ 'structure solution' VNMR ? ? 2
484
+ 'structure solution' Felix ? ? 3
485
+ 'structure solution' Discover ? ? 4
486
+ #
487
+ loop_
488
+ _chem_comp_atom.comp_id
489
+ _chem_comp_atom.atom_id
490
+ _chem_comp_atom.type_symbol
491
+ _chem_comp_atom.pdbx_aromatic_flag
492
+ _chem_comp_atom.pdbx_stereo_config
493
+ _chem_comp_atom.pdbx_ordinal
494
+ A OP3 O N N 1
495
+ A P P N N 2
496
+ A OP1 O N N 3
497
+ A OP2 O N N 4
498
+ A "O5'" O N N 5
499
+ A "C5'" C N N 6
500
+ A "C4'" C N R 7
501
+ A "O4'" O N N 8
502
+ A "C3'" C N S 9
503
+ A "O3'" O N N 10
504
+ A "C2'" C N R 11
505
+ A "O2'" O N N 12
506
+ A "C1'" C N R 13
507
+ A N9 N Y N 14
508
+ A C8 C Y N 15
509
+ A N7 N Y N 16
510
+ A C5 C Y N 17
511
+ A C6 C Y N 18
512
+ A N6 N N N 19
513
+ A N1 N Y N 20
514
+ A C2 C Y N 21
515
+ A N3 N Y N 22
516
+ A C4 C Y N 23
517
+ A HOP3 H N N 24
518
+ A HOP2 H N N 25
519
+ A "H5'" H N N 26
520
+ A "H5''" H N N 27
521
+ A "H4'" H N N 28
522
+ A "H3'" H N N 29
523
+ A "HO3'" H N N 30
524
+ A "H2'" H N N 31
525
+ A "HO2'" H N N 32
526
+ A "H1'" H N N 33
527
+ A H8 H N N 34
528
+ A H61 H N N 35
529
+ A H62 H N N 36
530
+ A H2 H N N 37
531
+ C OP3 O N N 38
532
+ C P P N N 39
533
+ C OP1 O N N 40
534
+ C OP2 O N N 41
535
+ C "O5'" O N N 42
536
+ C "C5'" C N N 43
537
+ C "C4'" C N R 44
538
+ C "O4'" O N N 45
539
+ C "C3'" C N S 46
540
+ C "O3'" O N N 47
541
+ C "C2'" C N R 48
542
+ C "O2'" O N N 49
543
+ C "C1'" C N R 50
544
+ C N1 N N N 51
545
+ C C2 C N N 52
546
+ C O2 O N N 53
547
+ C N3 N N N 54
548
+ C C4 C N N 55
549
+ C N4 N N N 56
550
+ C C5 C N N 57
551
+ C C6 C N N 58
552
+ C HOP3 H N N 59
553
+ C HOP2 H N N 60
554
+ C "H5'" H N N 61
555
+ C "H5''" H N N 62
556
+ C "H4'" H N N 63
557
+ C "H3'" H N N 64
558
+ C "HO3'" H N N 65
559
+ C "H2'" H N N 66
560
+ C "HO2'" H N N 67
561
+ C "H1'" H N N 68
562
+ C H41 H N N 69
563
+ C H42 H N N 70
564
+ C H5 H N N 71
565
+ C H6 H N N 72
566
+ G OP3 O N N 73
567
+ G P P N N 74
568
+ G OP1 O N N 75
569
+ G OP2 O N N 76
570
+ G "O5'" O N N 77
571
+ G "C5'" C N N 78
572
+ G "C4'" C N R 79
573
+ G "O4'" O N N 80
574
+ G "C3'" C N S 81
575
+ G "O3'" O N N 82
576
+ G "C2'" C N R 83
577
+ G "O2'" O N N 84
578
+ G "C1'" C N R 85
579
+ G N9 N Y N 86
580
+ G C8 C Y N 87
581
+ G N7 N Y N 88
582
+ G C5 C Y N 89
583
+ G C6 C N N 90
584
+ G O6 O N N 91
585
+ G N1 N N N 92
586
+ G C2 C N N 93
587
+ G N2 N N N 94
588
+ G N3 N N N 95
589
+ G C4 C Y N 96
590
+ G HOP3 H N N 97
591
+ G HOP2 H N N 98
592
+ G "H5'" H N N 99
593
+ G "H5''" H N N 100
594
+ G "H4'" H N N 101
595
+ G "H3'" H N N 102
596
+ G "HO3'" H N N 103
597
+ G "H2'" H N N 104
598
+ G "HO2'" H N N 105
599
+ G "H1'" H N N 106
600
+ G H8 H N N 107
601
+ G H1 H N N 108
602
+ G H21 H N N 109
603
+ G H22 H N N 110
604
+ U OP3 O N N 111
605
+ U P P N N 112
606
+ U OP1 O N N 113
607
+ U OP2 O N N 114
608
+ U "O5'" O N N 115
609
+ U "C5'" C N N 116
610
+ U "C4'" C N R 117
611
+ U "O4'" O N N 118
612
+ U "C3'" C N S 119
613
+ U "O3'" O N N 120
614
+ U "C2'" C N R 121
615
+ U "O2'" O N N 122
616
+ U "C1'" C N R 123
617
+ U N1 N N N 124
618
+ U C2 C N N 125
619
+ U O2 O N N 126
620
+ U N3 N N N 127
621
+ U C4 C N N 128
622
+ U O4 O N N 129
623
+ U C5 C N N 130
624
+ U C6 C N N 131
625
+ U HOP3 H N N 132
626
+ U HOP2 H N N 133
627
+ U "H5'" H N N 134
628
+ U "H5''" H N N 135
629
+ U "H4'" H N N 136
630
+ U "H3'" H N N 137
631
+ U "HO3'" H N N 138
632
+ U "H2'" H N N 139
633
+ U "HO2'" H N N 140
634
+ U "H1'" H N N 141
635
+ U H3 H N N 142
636
+ U H5 H N N 143
637
+ U H6 H N N 144
638
+ #
639
+ loop_
640
+ _chem_comp_bond.comp_id
641
+ _chem_comp_bond.atom_id_1
642
+ _chem_comp_bond.atom_id_2
643
+ _chem_comp_bond.value_order
644
+ _chem_comp_bond.pdbx_aromatic_flag
645
+ _chem_comp_bond.pdbx_stereo_config
646
+ _chem_comp_bond.pdbx_ordinal
647
+ A OP3 P sing N N 1
648
+ A OP3 HOP3 sing N N 2
649
+ A P OP1 doub N N 3
650
+ A P OP2 sing N N 4
651
+ A P "O5'" sing N N 5
652
+ A OP2 HOP2 sing N N 6
653
+ A "O5'" "C5'" sing N N 7
654
+ A "C5'" "C4'" sing N N 8
655
+ A "C5'" "H5'" sing N N 9
656
+ A "C5'" "H5''" sing N N 10
657
+ A "C4'" "O4'" sing N N 11
658
+ A "C4'" "C3'" sing N N 12
659
+ A "C4'" "H4'" sing N N 13
660
+ A "O4'" "C1'" sing N N 14
661
+ A "C3'" "O3'" sing N N 15
662
+ A "C3'" "C2'" sing N N 16
663
+ A "C3'" "H3'" sing N N 17
664
+ A "O3'" "HO3'" sing N N 18
665
+ A "C2'" "O2'" sing N N 19
666
+ A "C2'" "C1'" sing N N 20
667
+ A "C2'" "H2'" sing N N 21
668
+ A "O2'" "HO2'" sing N N 22
669
+ A "C1'" N9 sing N N 23
670
+ A "C1'" "H1'" sing N N 24
671
+ A N9 C8 sing Y N 25
672
+ A N9 C4 sing Y N 26
673
+ A C8 N7 doub Y N 27
674
+ A C8 H8 sing N N 28
675
+ A N7 C5 sing Y N 29
676
+ A C5 C6 sing Y N 30
677
+ A C5 C4 doub Y N 31
678
+ A C6 N6 sing N N 32
679
+ A C6 N1 doub Y N 33
680
+ A N6 H61 sing N N 34
681
+ A N6 H62 sing N N 35
682
+ A N1 C2 sing Y N 36
683
+ A C2 N3 doub Y N 37
684
+ A C2 H2 sing N N 38
685
+ A N3 C4 sing Y N 39
686
+ C OP3 P sing N N 40
687
+ C OP3 HOP3 sing N N 41
688
+ C P OP1 doub N N 42
689
+ C P OP2 sing N N 43
690
+ C P "O5'" sing N N 44
691
+ C OP2 HOP2 sing N N 45
692
+ C "O5'" "C5'" sing N N 46
693
+ C "C5'" "C4'" sing N N 47
694
+ C "C5'" "H5'" sing N N 48
695
+ C "C5'" "H5''" sing N N 49
696
+ C "C4'" "O4'" sing N N 50
697
+ C "C4'" "C3'" sing N N 51
698
+ C "C4'" "H4'" sing N N 52
699
+ C "O4'" "C1'" sing N N 53
700
+ C "C3'" "O3'" sing N N 54
701
+ C "C3'" "C2'" sing N N 55
702
+ C "C3'" "H3'" sing N N 56
703
+ C "O3'" "HO3'" sing N N 57
704
+ C "C2'" "O2'" sing N N 58
705
+ C "C2'" "C1'" sing N N 59
706
+ C "C2'" "H2'" sing N N 60
707
+ C "O2'" "HO2'" sing N N 61
708
+ C "C1'" N1 sing N N 62
709
+ C "C1'" "H1'" sing N N 63
710
+ C N1 C2 sing N N 64
711
+ C N1 C6 sing N N 65
712
+ C C2 O2 doub N N 66
713
+ C C2 N3 sing N N 67
714
+ C N3 C4 doub N N 68
715
+ C C4 N4 sing N N 69
716
+ C C4 C5 sing N N 70
717
+ C N4 H41 sing N N 71
718
+ C N4 H42 sing N N 72
719
+ C C5 C6 doub N N 73
720
+ C C5 H5 sing N N 74
721
+ C C6 H6 sing N N 75
722
+ G OP3 P sing N N 76
723
+ G OP3 HOP3 sing N N 77
724
+ G P OP1 doub N N 78
725
+ G P OP2 sing N N 79
726
+ G P "O5'" sing N N 80
727
+ G OP2 HOP2 sing N N 81
728
+ G "O5'" "C5'" sing N N 82
729
+ G "C5'" "C4'" sing N N 83
730
+ G "C5'" "H5'" sing N N 84
731
+ G "C5'" "H5''" sing N N 85
732
+ G "C4'" "O4'" sing N N 86
733
+ G "C4'" "C3'" sing N N 87
734
+ G "C4'" "H4'" sing N N 88
735
+ G "O4'" "C1'" sing N N 89
736
+ G "C3'" "O3'" sing N N 90
737
+ G "C3'" "C2'" sing N N 91
738
+ G "C3'" "H3'" sing N N 92
739
+ G "O3'" "HO3'" sing N N 93
740
+ G "C2'" "O2'" sing N N 94
741
+ G "C2'" "C1'" sing N N 95
742
+ G "C2'" "H2'" sing N N 96
743
+ G "O2'" "HO2'" sing N N 97
744
+ G "C1'" N9 sing N N 98
745
+ G "C1'" "H1'" sing N N 99
746
+ G N9 C8 sing Y N 100
747
+ G N9 C4 sing Y N 101
748
+ G C8 N7 doub Y N 102
749
+ G C8 H8 sing N N 103
750
+ G N7 C5 sing Y N 104
751
+ G C5 C6 sing N N 105
752
+ G C5 C4 doub Y N 106
753
+ G C6 O6 doub N N 107
754
+ G C6 N1 sing N N 108
755
+ G N1 C2 sing N N 109
756
+ G N1 H1 sing N N 110
757
+ G C2 N2 sing N N 111
758
+ G C2 N3 doub N N 112
759
+ G N2 H21 sing N N 113
760
+ G N2 H22 sing N N 114
761
+ G N3 C4 sing N N 115
762
+ U OP3 P sing N N 116
763
+ U OP3 HOP3 sing N N 117
764
+ U P OP1 doub N N 118
765
+ U P OP2 sing N N 119
766
+ U P "O5'" sing N N 120
767
+ U OP2 HOP2 sing N N 121
768
+ U "O5'" "C5'" sing N N 122
769
+ U "C5'" "C4'" sing N N 123
770
+ U "C5'" "H5'" sing N N 124
771
+ U "C5'" "H5''" sing N N 125
772
+ U "C4'" "O4'" sing N N 126
773
+ U "C4'" "C3'" sing N N 127
774
+ U "C4'" "H4'" sing N N 128
775
+ U "O4'" "C1'" sing N N 129
776
+ U "C3'" "O3'" sing N N 130
777
+ U "C3'" "C2'" sing N N 131
778
+ U "C3'" "H3'" sing N N 132
779
+ U "O3'" "HO3'" sing N N 133
780
+ U "C2'" "O2'" sing N N 134
781
+ U "C2'" "C1'" sing N N 135
782
+ U "C2'" "H2'" sing N N 136
783
+ U "O2'" "HO2'" sing N N 137
784
+ U "C1'" N1 sing N N 138
785
+ U "C1'" "H1'" sing N N 139
786
+ U N1 C2 sing N N 140
787
+ U N1 C6 sing N N 141
788
+ U C2 O2 doub N N 142
789
+ U C2 N3 sing N N 143
790
+ U N3 C4 sing N N 144
791
+ U N3 H3 sing N N 145
792
+ U C4 O4 doub N N 146
793
+ U C4 C5 sing N N 147
794
+ U C5 C6 doub N N 148
795
+ U C5 H5 sing N N 149
796
+ U C6 H6 sing N N 150
797
+ #
798
+ loop_
799
+ _ndb_struct_conf_na.entry_id
800
+ _ndb_struct_conf_na.feature
801
+ 1BZ3 'a-form double helix'
802
+ 1BZ3 'hairpin loop'
803
+ 1BZ3 'mismatched base pair'
804
+ #
805
+ loop_
806
+ _ndb_struct_na_base_pair.model_number
807
+ _ndb_struct_na_base_pair.i_label_asym_id
808
+ _ndb_struct_na_base_pair.i_label_comp_id
809
+ _ndb_struct_na_base_pair.i_label_seq_id
810
+ _ndb_struct_na_base_pair.i_symmetry
811
+ _ndb_struct_na_base_pair.j_label_asym_id
812
+ _ndb_struct_na_base_pair.j_label_comp_id
813
+ _ndb_struct_na_base_pair.j_label_seq_id
814
+ _ndb_struct_na_base_pair.j_symmetry
815
+ _ndb_struct_na_base_pair.shear
816
+ _ndb_struct_na_base_pair.stretch
817
+ _ndb_struct_na_base_pair.stagger
818
+ _ndb_struct_na_base_pair.buckle
819
+ _ndb_struct_na_base_pair.propeller
820
+ _ndb_struct_na_base_pair.opening
821
+ _ndb_struct_na_base_pair.pair_number
822
+ _ndb_struct_na_base_pair.pair_name
823
+ _ndb_struct_na_base_pair.i_auth_asym_id
824
+ _ndb_struct_na_base_pair.i_auth_seq_id
825
+ _ndb_struct_na_base_pair.i_PDB_ins_code
826
+ _ndb_struct_na_base_pair.j_auth_asym_id
827
+ _ndb_struct_na_base_pair.j_auth_seq_id
828
+ _ndb_struct_na_base_pair.j_PDB_ins_code
829
+ _ndb_struct_na_base_pair.hbond_type_28
830
+ _ndb_struct_na_base_pair.hbond_type_12
831
+ 1 A U 1 1_555 A A 17 1_555 -0.901 -0.147 -0.392 -12.464 -11.906 1.008 1 A_U27:A43_A A 27 ? A 43 ? 20 1
832
+ 1 A C 2 1_555 A G 16 1_555 0.968 -0.542 0.345 2.411 -16.629 -5.966 2 A_C28:G42_A A 28 ? A 42 ? 19 1
833
+ 1 A A 3 1_555 A U 15 1_555 -0.519 -0.620 -1.244 -4.672 5.754 -8.856 3 A_A29:U41_A A 29 ? A 41 ? 20 1
834
+ 1 A G 4 1_555 A C 14 1_555 0.601 -0.124 -0.203 -0.897 -21.526 3.087 4 A_G30:C40_A A 30 ? A 40 ? 19 1
835
+ 1 A A 5 1_555 A U 13 1_555 -1.083 -0.337 0.425 0.451 -21.434 -1.422 5 A_A31:U39_A A 31 ? A 39 ? 20 1
836
+ 1 A C 6 1_555 A A 12 1_555 1.420 -0.552 0.763 3.994 -15.786 0.228 6 A_C32:A38_A A 32 ? A 38 ? ? 1
837
+ 1 A U 7 1_555 A A 11 1_555 -0.733 -0.008 0.176 31.339 -27.506 1.262 7 A_U33:A37_A A 33 ? A 37 ? 20 1
838
+ #
839
+ loop_
840
+ _ndb_struct_na_base_pair_step.model_number
841
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
842
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
843
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
844
+ _ndb_struct_na_base_pair_step.i_symmetry_1
845
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
846
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
847
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
848
+ _ndb_struct_na_base_pair_step.j_symmetry_1
849
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
850
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
851
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
852
+ _ndb_struct_na_base_pair_step.i_symmetry_2
853
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
854
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
855
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
856
+ _ndb_struct_na_base_pair_step.j_symmetry_2
857
+ _ndb_struct_na_base_pair_step.shift
858
+ _ndb_struct_na_base_pair_step.slide
859
+ _ndb_struct_na_base_pair_step.rise
860
+ _ndb_struct_na_base_pair_step.tilt
861
+ _ndb_struct_na_base_pair_step.roll
862
+ _ndb_struct_na_base_pair_step.twist
863
+ _ndb_struct_na_base_pair_step.x_displacement
864
+ _ndb_struct_na_base_pair_step.y_displacement
865
+ _ndb_struct_na_base_pair_step.helical_rise
866
+ _ndb_struct_na_base_pair_step.inclination
867
+ _ndb_struct_na_base_pair_step.tip
868
+ _ndb_struct_na_base_pair_step.helical_twist
869
+ _ndb_struct_na_base_pair_step.step_number
870
+ _ndb_struct_na_base_pair_step.step_name
871
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
872
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
873
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
874
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
875
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
876
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
877
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
878
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
879
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
880
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
881
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
882
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
883
+ 1 A U 1 1_555 A A 17 1_555 A C 2 1_555 A G 16 1_555 -0.294 -1.338 3.091 -2.892 2.565 37.466 -2.384 0.105 3.010 3.980 4.488
884
+ 37.657 1 AA_U27C28:G42A43_AA A 27 ? A 43 ? A 28 ? A 42 ?
885
+ 1 A C 2 1_555 A G 16 1_555 A A 3 1_555 A U 15 1_555 -0.068 -2.001 4.075 6.154 7.863 20.184 -8.410 2.743 2.950 20.868 -16.332
886
+ 22.496 2 AA_C28A29:U41G42_AA A 28 ? A 42 ? A 29 ? A 41 ?
887
+ 1 A A 3 1_555 A U 15 1_555 A G 4 1_555 A C 14 1_555 0.707 -1.478 3.584 -2.847 8.419 33.097 -3.881 -1.664 3.057 14.457 4.889
888
+ 34.237 3 AA_A29G30:C40U41_AA A 29 ? A 41 ? A 30 ? A 40 ?
889
+ 1 A G 4 1_555 A C 14 1_555 A A 5 1_555 A U 13 1_555 -0.187 -2.035 3.338 -5.016 3.351 22.856 -6.069 -1.188 2.984 8.272 12.384
890
+ 23.628 4 AA_G30A31:U39C40_AA A 30 ? A 40 ? A 31 ? A 39 ?
891
+ 1 A A 5 1_555 A U 13 1_555 A C 6 1_555 A A 12 1_555 -0.011 -1.817 2.892 -2.036 10.509 41.276 -3.371 -0.154 2.379 14.613 2.831
892
+ 42.583 5 AA_A31C32:A38U39_AA A 31 ? A 39 ? A 32 ? A 38 ?
893
+ 1 A C 6 1_555 A A 12 1_555 A U 7 1_555 A A 11 1_555 0.604 -0.770 2.704 6.886 -11.843 25.967 0.785 0.149 2.847 -24.319 -14.140
894
+ 29.305 6 AA_C32U33:A37A38_AA A 32 ? A 38 ? A 33 ? A 37 ?
895
+ #
896
+ _pdbx_nmr_spectrometer.spectrometer_id 1
897
+ _pdbx_nmr_spectrometer.model 'UNITY 500'
898
+ _pdbx_nmr_spectrometer.manufacturer Varian
899
+ _pdbx_nmr_spectrometer.field_strength 500
900
+ #
901
+ _atom_sites.entry_id 1BZ3
902
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
903
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
904
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
905
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
906
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
907
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
908
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
909
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
910
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
911
+ _atom_sites.fract_transf_vector[1] 0.00000
912
+ _atom_sites.fract_transf_vector[2] 0.00000
913
+ _atom_sites.fract_transf_vector[3] 0.00000
914
+ #
915
+ loop_
916
+ _atom_type.symbol
917
+ C
918
+ H
919
+ N
920
+ O
921
+ P
922
+ #
923
+ loop_
924
+ _atom_site.group_PDB
925
+ _atom_site.id
926
+ _atom_site.type_symbol
927
+ _atom_site.label_atom_id
928
+ _atom_site.label_alt_id
929
+ _atom_site.label_comp_id
930
+ _atom_site.label_asym_id
931
+ _atom_site.label_entity_id
932
+ _atom_site.label_seq_id
933
+ _atom_site.pdbx_PDB_ins_code
934
+ _atom_site.Cartn_x
935
+ _atom_site.Cartn_y
936
+ _atom_site.Cartn_z
937
+ _atom_site.occupancy
938
+ _atom_site.B_iso_or_equiv
939
+ _atom_site.pdbx_formal_charge
940
+ _atom_site.auth_seq_id
941
+ _atom_site.auth_comp_id
942
+ _atom_site.auth_asym_id
943
+ _atom_site.auth_atom_id
944
+ _atom_site.pdbx_PDB_model_num
945
+ ATOM 1 O "O5'" . U A 1 1 ? 6.837 -6.826 -1.526 1.00 0.00 ? 27 U A "O5'" 1
946
+ ATOM 2 C "C5'" . U A 1 1 ? 8.121 -6.704 -2.098 1.00 0.00 ? 27 U A "C5'" 1
947
+ ATOM 3 C "C4'" . U A 1 1 ? 8.517 -5.232 -2.215 1.00 0.00 ? 27 U A "C4'" 1
948
+ ATOM 4 O "O4'" . U A 1 1 ? 7.572 -4.507 -2.980 1.00 0.00 ? 27 U A "O4'" 1
949
+ ATOM 5 C "C3'" . U A 1 1 ? 8.579 -4.505 -0.878 1.00 0.00 ? 27 U A "C3'" 1
950
+ ATOM 6 O "O3'" . U A 1 1 ? 9.750 -4.816 -0.148 1.00 0.00 ? 27 U A "O3'" 1
951
+ ATOM 7 C "C2'" . U A 1 1 ? 8.576 -3.071 -1.384 1.00 0.00 ? 27 U A "C2'" 1
952
+ ATOM 8 O "O2'" . U A 1 1 ? 9.867 -2.719 -1.828 1.00 0.00 ? 27 U A "O2'" 1
953
+ ATOM 9 C "C1'" . U A 1 1 ? 7.650 -3.142 -2.597 1.00 0.00 ? 27 U A "C1'" 1
954
+ ATOM 10 N N1 . U A 1 1 ? 6.328 -2.552 -2.255 1.00 0.00 ? 27 U A N1 1
955
+ ATOM 11 C C2 . U A 1 1 ? 6.252 -1.166 -2.215 1.00 0.00 ? 27 U A C2 1
956
+ ATOM 12 O O2 . U A 1 1 ? 7.223 -0.442 -2.423 1.00 0.00 ? 27 U A O2 1
957
+ ATOM 13 N N3 . U A 1 1 ? 5.012 -0.622 -1.917 1.00 0.00 ? 27 U A N3 1
958
+ ATOM 14 C C4 . U A 1 1 ? 3.858 -1.330 -1.628 1.00 0.00 ? 27 U A C4 1
959
+ ATOM 15 O O4 . U A 1 1 ? 2.806 -0.744 -1.384 1.00 0.00 ? 27 U A O4 1
960
+ ATOM 16 C C5 . U A 1 1 ? 4.037 -2.762 -1.641 1.00 0.00 ? 27 U A C5 1
961
+ ATOM 17 C C6 . U A 1 1 ? 5.231 -3.318 -1.945 1.00 0.00 ? 27 U A C6 1
962
+ ATOM 18 H "H5'" . U A 1 1 ? 8.114 -7.153 -3.090 1.00 0.00 ? 27 U A "H5'" 1
963
+ ATOM 19 H "H5''" . U A 1 1 ? 8.847 -7.223 -1.472 1.00 0.00 ? 27 U A "H5''" 1
964
+ ATOM 20 H "H4'" . U A 1 1 ? 9.490 -5.158 -2.700 1.00 0.00 ? 27 U A "H4'" 1
965
+ ATOM 21 H "H3'" . U A 1 1 ? 7.679 -4.697 -0.297 1.00 0.00 ? 27 U A "H3'" 1
966
+ ATOM 22 H "H2'" . U A 1 1 ? 8.216 -2.369 -0.636 1.00 0.00 ? 27 U A "H2'" 1
967
+ ATOM 23 H "HO2'" . U A 1 1 ? 9.829 -1.837 -2.206 1.00 0.00 ? 27 U A "HO2'" 1
968
+ ATOM 24 H "H1'" . U A 1 1 ? 8.104 -2.592 -3.422 1.00 0.00 ? 27 U A "H1'" 1
969
+ ATOM 25 H H3 . U A 1 1 ? 4.946 0.386 -1.902 1.00 0.00 ? 27 U A H3 1
970
+ ATOM 26 H H5 . U A 1 1 ? 3.200 -3.403 -1.405 1.00 0.00 ? 27 U A H5 1
971
+ ATOM 27 H H6 . U A 1 1 ? 5.288 -4.395 -1.922 1.00 0.00 ? 27 U A H6 1
972
+ ATOM 28 H "HO5'" . U A 1 1 ? 6.617 -7.759 -1.468 1.00 0.00 ? 27 U A "HO5'" 1
973
+ ATOM 29 P P . C A 1 2 ? 9.858 -4.508 1.435 1.00 0.00 ? 28 C A P 1
974
+ ATOM 30 O OP1 . C A 1 2 ? 11.177 -4.987 1.904 1.00 0.00 ? 28 C A OP1 1
975
+ ATOM 31 O OP2 . C A 1 2 ? 8.626 -5.011 2.082 1.00 0.00 ? 28 C A OP2 1
976
+ ATOM 32 O "O5'" . C A 1 2 ? 9.852 -2.901 1.535 1.00 0.00 ? 28 C A "O5'" 1
977
+ ATOM 33 C "C5'" . C A 1 2 ? 11.014 -2.152 1.260 1.00 0.00 ? 28 C A "C5'" 1
978
+ ATOM 34 C "C4'" . C A 1 2 ? 10.677 -0.663 1.279 1.00 0.00 ? 28 C A "C4'" 1
979
+ ATOM 35 O "O4'" . C A 1 2 ? 9.537 -0.406 0.486 1.00 0.00 ? 28 C A "O4'" 1
980
+ ATOM 36 C "C3'" . C A 1 2 ? 10.318 -0.124 2.659 1.00 0.00 ? 28 C A "C3'" 1
981
+ ATOM 37 O "O3'" . C A 1 2 ? 11.449 0.074 3.483 1.00 0.00 ? 28 C A "O3'" 1
982
+ ATOM 38 C "C2'" . C A 1 2 ? 9.661 1.182 2.243 1.00 0.00 ? 28 C A "C2'" 1
983
+ ATOM 39 O "O2'" . C A 1 2 ? 10.630 2.152 1.910 1.00 0.00 ? 28 C A "O2'" 1
984
+ ATOM 40 C "C1'" . C A 1 2 ? 8.912 0.768 0.977 1.00 0.00 ? 28 C A "C1'" 1
985
+ ATOM 41 N N1 . C A 1 2 ? 7.473 0.546 1.296 1.00 0.00 ? 28 C A N1 1
986
+ ATOM 42 C C2 . C A 1 2 ? 6.640 1.659 1.325 1.00 0.00 ? 28 C A C2 1
987
+ ATOM 43 O O2 . C A 1 2 ? 7.082 2.786 1.110 1.00 0.00 ? 28 C A O2 1
988
+ ATOM 44 N N3 . C A 1 2 ? 5.323 1.474 1.603 1.00 0.00 ? 28 C A N3 1
989
+ ATOM 45 C C4 . C A 1 2 ? 4.829 0.262 1.875 1.00 0.00 ? 28 C A C4 1
990
+ ATOM 46 N N4 . C A 1 2 ? 3.522 0.134 2.142 1.00 0.00 ? 28 C A N4 1
991
+ ATOM 47 C C5 . C A 1 2 ? 5.678 -0.886 1.911 1.00 0.00 ? 28 C A C5 1
992
+ ATOM 48 C C6 . C A 1 2 ? 6.981 -0.694 1.618 1.00 0.00 ? 28 C A C6 1
993
+ ATOM 49 H "H5'" . C A 1 2 ? 11.390 -2.421 0.273 1.00 0.00 ? 28 C A "H5'" 1
994
+ ATOM 50 H "H5''" . C A 1 2 ? 11.780 -2.367 2.005 1.00 0.00 ? 28 C A "H5''" 1
995
+ ATOM 51 H "H4'" . C A 1 2 ? 11.511 -0.090 0.879 1.00 0.00 ? 28 C A "H4'" 1
996
+ ATOM 52 H "H3'" . C A 1 2 ? 9.584 -0.767 3.143 1.00 0.00 ? 28 C A "H3'" 1
997
+ ATOM 53 H "H2'" . C A 1 2 ? 8.993 1.569 3.006 1.00 0.00 ? 28 C A "H2'" 1
998
+ ATOM 54 H "HO2'" . C A 1 2 ? 11.070 1.891 1.099 1.00 0.00 ? 28 C A "HO2'" 1
999
+ ATOM 55 H "H1'" . C A 1 2 ? 9.048 1.533 0.215 1.00 0.00 ? 28 C A "H1'" 1
1000
+ ATOM 56 H H41 . C A 1 2 ? 2.921 0.946 2.127 1.00 0.00 ? 28 C A H41 1
1001
+ ATOM 57 H H42 . C A 1 2 ? 3.137 -0.774 2.358 1.00 0.00 ? 28 C A H42 1
1002
+ ATOM 58 H H5 . C A 1 2 ? 5.325 -1.876 2.157 1.00 0.00 ? 28 C A H5 1
1003
+ ATOM 59 H H6 . C A 1 2 ? 7.617 -1.561 1.665 1.00 0.00 ? 28 C A H6 1
1004
+ ATOM 60 P P . A A 1 3 ? 11.300 0.199 5.088 1.00 0.00 ? 29 A A P 1
1005
+ ATOM 61 O OP1 . A A 1 3 ? 12.653 0.374 5.660 1.00 0.00 ? 29 A A OP1 1
1006
+ ATOM 62 O OP2 . A A 1 3 ? 10.446 -0.915 5.560 1.00 0.00 ? 29 A A OP2 1
1007
+ ATOM 63 O "O5'" . A A 1 3 ? 10.491 1.574 5.306 1.00 0.00 ? 29 A A "O5'" 1
1008
+ ATOM 64 C "C5'" . A A 1 3 ? 11.150 2.815 5.200 1.00 0.00 ? 29 A A "C5'" 1
1009
+ ATOM 65 C "C4'" . A A 1 3 ? 10.150 3.954 5.376 1.00 0.00 ? 29 A A "C4'" 1
1010
+ ATOM 66 O "O4'" . A A 1 3 ? 9.080 3.823 4.471 1.00 0.00 ? 29 A A "O4'" 1
1011
+ ATOM 67 C "C3'" . A A 1 3 ? 9.521 4.036 6.765 1.00 0.00 ? 29 A A "C3'" 1
1012
+ ATOM 68 O "O3'" . A A 1 3 ? 10.413 4.587 7.714 1.00 0.00 ? 29 A A "O3'" 1
1013
+ ATOM 69 C "C2'" . A A 1 3 ? 8.374 4.969 6.436 1.00 0.00 ? 29 A A "C2'" 1
1014
+ ATOM 70 O "O2'" . A A 1 3 ? 8.791 6.317 6.432 1.00 0.00 ? 29 A A "O2'" 1
1015
+ ATOM 71 C "C1'" . A A 1 3 ? 8.003 4.548 5.023 1.00 0.00 ? 29 A A "C1'" 1
1016
+ ATOM 72 N N9 . A A 1 3 ? 6.791 3.726 5.062 1.00 0.00 ? 29 A A N9 1
1017
+ ATOM 73 C C8 . A A 1 3 ? 6.595 2.374 4.969 1.00 0.00 ? 29 A A C8 1
1018
+ ATOM 74 N N7 . A A 1 3 ? 5.334 2.032 4.921 1.00 0.00 ? 29 A A N7 1
1019
+ ATOM 75 C C5 . A A 1 3 ? 4.657 3.248 5.001 1.00 0.00 ? 29 A A C5 1
1020
+ ATOM 76 C C6 . A A 1 3 ? 3.302 3.614 4.972 1.00 0.00 ? 29 A A C6 1
1021
+ ATOM 77 N N6 . A A 1 3 ? 2.307 2.727 4.838 1.00 0.00 ? 29 A A N6 1
1022
+ ATOM 78 N N1 . A A 1 3 ? 3.018 4.925 5.067 1.00 0.00 ? 29 A A N1 1
1023
+ ATOM 79 C C2 . A A 1 3 ? 4.012 5.795 5.196 1.00 0.00 ? 29 A A C2 1
1024
+ ATOM 80 N N3 . A A 1 3 ? 5.302 5.583 5.241 1.00 0.00 ? 29 A A N3 1
1025
+ ATOM 81 C C4 . A A 1 3 ? 5.550 4.269 5.125 1.00 0.00 ? 29 A A C4 1
1026
+ ATOM 82 H "H5'" . A A 1 3 ? 11.614 2.894 4.217 1.00 0.00 ? 29 A A "H5'" 1
1027
+ ATOM 83 H "H5''" . A A 1 3 ? 11.920 2.888 5.967 1.00 0.00 ? 29 A A "H5''" 1
1028
+ ATOM 84 H "H4'" . A A 1 3 ? 10.607 4.914 5.151 1.00 0.00 ? 29 A A "H4'" 1
1029
+ ATOM 85 H "H3'" . A A 1 3 ? 9.109 3.082 7.099 1.00 0.00 ? 29 A A "H3'" 1
1030
+ ATOM 86 H "H2'" . A A 1 3 ? 7.526 4.826 7.091 1.00 0.00 ? 29 A A "H2'" 1
1031
+ ATOM 87 H "HO2'" . A A 1 3 ? 9.398 6.458 5.703 1.00 0.00 ? 29 A A "HO2'" 1
1032
+ ATOM 88 H "H1'" . A A 1 3 ? 7.773 5.452 4.460 1.00 0.00 ? 29 A A "H1'" 1
1033
+ ATOM 89 H H8 . A A 1 3 ? 7.409 1.668 4.929 1.00 0.00 ? 29 A A H8 1
1034
+ ATOM 90 H H61 . A A 1 3 ? 1.346 3.038 4.834 1.00 0.00 ? 29 A A H61 1
1035
+ ATOM 91 H H62 . A A 1 3 ? 2.518 1.743 4.755 1.00 0.00 ? 29 A A H62 1
1036
+ ATOM 92 H H2 . A A 1 3 ? 3.816 6.844 5.265 1.00 0.00 ? 29 A A H2 1
1037
+ ATOM 93 P P . G A 1 4 ? 10.186 4.385 9.302 1.00 0.00 ? 30 G A P 1
1038
+ ATOM 94 O OP1 . G A 1 4 ? 11.320 5.020 10.011 1.00 0.00 ? 30 G A OP1 1
1039
+ ATOM 95 O OP2 . G A 1 4 ? 9.876 2.959 9.548 1.00 0.00 ? 30 G A OP2 1
1040
+ ATOM 96 O "O5'" . G A 1 4 ? 8.864 5.246 9.613 1.00 0.00 ? 30 G A "O5'" 1
1041
+ ATOM 97 C "C5'" . G A 1 4 ? 8.931 6.650 9.717 1.00 0.00 ? 30 G A "C5'" 1
1042
+ ATOM 98 C "C4'" . G A 1 4 ? 7.516 7.217 9.750 1.00 0.00 ? 30 G A "C4'" 1
1043
+ ATOM 99 O "O4'" . G A 1 4 ? 6.745 6.680 8.693 1.00 0.00 ? 30 G A "O4'" 1
1044
+ ATOM 100 C "C3'" . G A 1 4 ? 6.750 6.880 11.022 1.00 0.00 ? 30 G A "C3'" 1
1045
+ ATOM 101 O "O3'" . G A 1 4 ? 7.153 7.702 12.100 1.00 0.00 ? 30 G A "O3'" 1
1046
+ ATOM 102 C "C2'" . G A 1 4 ? 5.340 7.170 10.530 1.00 0.00 ? 30 G A "C2'" 1
1047
+ ATOM 103 O "O2'" . G A 1 4 ? 5.110 8.560 10.477 1.00 0.00 ? 30 G A "O2'" 1
1048
+ ATOM 104 C "C1'" . G A 1 4 ? 5.392 6.619 9.106 1.00 0.00 ? 30 G A "C1'" 1
1049
+ ATOM 105 N N9 . G A 1 4 ? 4.891 5.227 9.104 1.00 0.00 ? 30 G A N9 1
1050
+ ATOM 106 C C8 . G A 1 4 ? 5.564 4.028 9.160 1.00 0.00 ? 30 G A C8 1
1051
+ ATOM 107 N N7 . G A 1 4 ? 4.779 2.986 9.134 1.00 0.00 ? 30 G A N7 1
1052
+ ATOM 108 C C5 . G A 1 4 ? 3.498 3.525 9.063 1.00 0.00 ? 30 G A C5 1
1053
+ ATOM 109 C C6 . G A 1 4 ? 2.234 2.877 9.011 1.00 0.00 ? 30 G A C6 1
1054
+ ATOM 110 O O6 . G A 1 4 ? 1.990 1.672 9.002 1.00 0.00 ? 30 G A O6 1
1055
+ ATOM 111 N N1 . G A 1 4 ? 1.194 3.795 8.967 1.00 0.00 ? 30 G A N1 1
1056
+ ATOM 112 C C2 . G A 1 4 ? 1.345 5.166 8.970 1.00 0.00 ? 30 G A C2 1
1057
+ ATOM 113 N N2 . G A 1 4 ? 0.223 5.897 8.932 1.00 0.00 ? 30 G A N2 1
1058
+ ATOM 114 N N3 . G A 1 4 ? 2.533 5.776 9.010 1.00 0.00 ? 30 G A N3 1
1059
+ ATOM 115 C C4 . G A 1 4 ? 3.559 4.894 9.055 1.00 0.00 ? 30 G A C4 1
1060
+ ATOM 116 H "H5'" . G A 1 4 ? 9.455 7.049 8.849 1.00 0.00 ? 30 G A "H5'" 1
1061
+ ATOM 117 H "H5''" . G A 1 4 ? 9.469 6.932 10.622 1.00 0.00 ? 30 G A "H5''" 1
1062
+ ATOM 118 H "H4'" . G A 1 4 ? 7.563 8.301 9.644 1.00 0.00 ? 30 G A "H4'" 1
1063
+ ATOM 119 H "H3'" . G A 1 4 ? 6.845 5.820 11.259 1.00 0.00 ? 30 G A "H3'" 1
1064
+ ATOM 120 H "H2'" . G A 1 4 ? 4.579 6.673 11.128 1.00 0.00 ? 30 G A "H2'" 1
1065
+ ATOM 121 H "HO2'" . G A 1 4 ? 4.244 8.711 10.092 1.00 0.00 ? 30 G A "HO2'" 1
1066
+ ATOM 122 H "H1'" . G A 1 4 ? 4.768 7.211 8.433 1.00 0.00 ? 30 G A "H1'" 1
1067
+ ATOM 123 H H8 . G A 1 4 ? 6.641 3.924 9.221 1.00 0.00 ? 30 G A H8 1
1068
+ ATOM 124 H H1 . G A 1 4 ? 0.256 3.421 8.932 1.00 0.00 ? 30 G A H1 1
1069
+ ATOM 125 H H21 . G A 1 4 ? -0.676 5.440 8.891 1.00 0.00 ? 30 G A H21 1
1070
+ ATOM 126 H H22 . G A 1 4 ? 0.277 6.906 8.934 1.00 0.00 ? 30 G A H22 1
1071
+ ATOM 127 P P . A A 1 5 ? 6.815 7.319 13.633 1.00 0.00 ? 31 A A P 1
1072
+ ATOM 128 O OP1 . A A 1 5 ? 7.476 8.312 14.509 1.00 0.00 ? 31 A A OP1 1
1073
+ ATOM 129 O OP2 . A A 1 5 ? 7.094 5.877 13.820 1.00 0.00 ? 31 A A OP2 1
1074
+ ATOM 130 O "O5'" . A A 1 5 ? 5.227 7.540 13.747 1.00 0.00 ? 31 A A "O5'" 1
1075
+ ATOM 131 C "C5'" . A A 1 5 ? 4.680 8.838 13.795 1.00 0.00 ? 31 A A "C5'" 1
1076
+ ATOM 132 C "C4'" . A A 1 5 ? 3.163 8.718 13.707 1.00 0.00 ? 31 A A "C4'" 1
1077
+ ATOM 133 O "O4'" . A A 1 5 ? 2.811 7.859 12.650 1.00 0.00 ? 31 A A "O4'" 1
1078
+ ATOM 134 C "C3'" . A A 1 5 ? 2.517 8.100 14.941 1.00 0.00 ? 31 A A "C3'" 1
1079
+ ATOM 135 O "O3'" . A A 1 5 ? 2.401 8.958 16.055 1.00 0.00 ? 31 A A "O3'" 1
1080
+ ATOM 136 C "C2'" . A A 1 5 ? 1.158 7.774 14.357 1.00 0.00 ? 31 A A "C2'" 1
1081
+ ATOM 137 O "O2'" . A A 1 5 ? 0.352 8.931 14.296 1.00 0.00 ? 31 A A "O2'" 1
1082
+ ATOM 138 C "C1'" . A A 1 5 ? 1.525 7.355 12.941 1.00 0.00 ? 31 A A "C1'" 1
1083
+ ATOM 139 N N9 . A A 1 5 ? 1.506 5.882 12.851 1.00 0.00 ? 31 A A N9 1
1084
+ ATOM 140 C C8 . A A 1 5 ? 2.559 5.004 12.891 1.00 0.00 ? 31 A A C8 1
1085
+ ATOM 141 N N7 . A A 1 5 ? 2.208 3.751 12.813 1.00 0.00 ? 31 A A N7 1
1086
+ ATOM 142 C C5 . A A 1 5 ? 0.821 3.799 12.750 1.00 0.00 ? 31 A A C5 1
1087
+ ATOM 143 C C6 . A A 1 5 ? -0.158 2.797 12.682 1.00 0.00 ? 31 A A C6 1
1088
+ ATOM 144 N N6 . A A 1 5 ? 0.140 1.492 12.614 1.00 0.00 ? 31 A A N6 1
1089
+ ATOM 145 N N1 . A A 1 5 ? -1.442 3.184 12.706 1.00 0.00 ? 31 A A N1 1
1090
+ ATOM 146 C C2 . A A 1 5 ? -1.727 4.478 12.775 1.00 0.00 ? 31 A A C2 1
1091
+ ATOM 147 N N3 . A A 1 5 ? -0.904 5.515 12.819 1.00 0.00 ? 31 A A N3 1
1092
+ ATOM 148 C C4 . A A 1 5 ? 0.381 5.094 12.803 1.00 0.00 ? 31 A A C4 1
1093
+ ATOM 149 H "H5'" . A A 1 5 ? 5.045 9.415 12.946 1.00 0.00 ? 31 A A "H5'" 1
1094
+ ATOM 150 H "H5''" . A A 1 5 ? 4.966 9.336 14.722 1.00 0.00 ? 31 A A "H5''" 1
1095
+ ATOM 151 H "H4'" . A A 1 5 ? 2.686 9.669 13.485 1.00 0.00 ? 31 A A "H4'" 1
1096
+ ATOM 152 H "H3'" . A A 1 5 ? 3.049 7.186 15.205 1.00 0.00 ? 31 A A "H3'" 1
1097
+ ATOM 153 H "H2'" . A A 1 5 ? 0.658 6.978 14.894 1.00 0.00 ? 31 A A "H2'" 1
1098
+ ATOM 154 H "HO2'" . A A 1 5 ? 0.379 9.370 15.148 1.00 0.00 ? 31 A A "HO2'" 1
1099
+ ATOM 155 H "H1'" . A A 1 5 ? 0.833 7.836 12.259 1.00 0.00 ? 31 A A "H1'" 1
1100
+ ATOM 156 H H8 . A A 1 5 ? 3.589 5.311 12.990 1.00 0.00 ? 31 A A H8 1
1101
+ ATOM 157 H H61 . A A 1 5 ? -0.594 0.801 12.577 1.00 0.00 ? 31 A A H61 1
1102
+ ATOM 158 H H62 . A A 1 5 ? 1.107 1.198 12.602 1.00 0.00 ? 31 A A H62 1
1103
+ ATOM 159 H H2 . A A 1 5 ? -2.780 4.723 12.808 1.00 0.00 ? 31 A A H2 1
1104
+ ATOM 160 P P . C A 1 6 ? 2.240 8.346 17.544 1.00 0.00 ? 32 C A P 1
1105
+ ATOM 161 O OP1 . C A 1 6 ? 2.028 9.472 18.481 1.00 0.00 ? 32 C A OP1 1
1106
+ ATOM 162 O OP2 . C A 1 6 ? 3.367 7.413 17.768 1.00 0.00 ? 32 C A OP2 1
1107
+ ATOM 163 O "O5'" . C A 1 6 ? 0.880 7.474 17.502 1.00 0.00 ? 32 C A "O5'" 1
1108
+ ATOM 164 C "C5'" . C A 1 6 ? -0.381 8.084 17.673 1.00 0.00 ? 32 C A "C5'" 1
1109
+ ATOM 165 C "C4'" . C A 1 6 ? -1.511 7.064 17.519 1.00 0.00 ? 32 C A "C4'" 1
1110
+ ATOM 166 O "O4'" . C A 1 6 ? -1.379 6.315 16.330 1.00 0.00 ? 32 C A "O4'" 1
1111
+ ATOM 167 C "C3'" . C A 1 6 ? -1.626 6.059 18.661 1.00 0.00 ? 32 C A "C3'" 1
1112
+ ATOM 168 O "O3'" . C A 1 6 ? -2.240 6.731 19.750 1.00 0.00 ? 32 C A "O3'" 1
1113
+ ATOM 169 C "C2'" . C A 1 6 ? -2.504 5.021 17.963 1.00 0.00 ? 32 C A "C2'" 1
1114
+ ATOM 170 O "O2'" . C A 1 6 ? -3.847 5.452 17.971 1.00 0.00 ? 32 C A "O2'" 1
1115
+ ATOM 171 C "C1'" . C A 1 6 ? -1.980 5.047 16.524 1.00 0.00 ? 32 C A "C1'" 1
1116
+ ATOM 172 N N1 . C A 1 6 ? -1.015 3.935 16.285 1.00 0.00 ? 32 C A N1 1
1117
+ ATOM 173 C C2 . C A 1 6 ? -1.553 2.680 16.034 1.00 0.00 ? 32 C A C2 1
1118
+ ATOM 174 O O2 . C A 1 6 ? -2.759 2.478 16.164 1.00 0.00 ? 32 C A O2 1
1119
+ ATOM 175 N N3 . C A 1 6 ? -0.719 1.679 15.643 1.00 0.00 ? 32 C A N3 1
1120
+ ATOM 176 C C4 . C A 1 6 ? 0.597 1.881 15.519 1.00 0.00 ? 32 C A C4 1
1121
+ ATOM 177 N N4 . C A 1 6 ? 1.380 0.862 15.137 1.00 0.00 ? 32 C A N4 1
1122
+ ATOM 178 C C5 . C A 1 6 ? 1.181 3.150 15.826 1.00 0.00 ? 32 C A C5 1
1123
+ ATOM 179 C C6 . C A 1 6 ? 0.341 4.133 16.213 1.00 0.00 ? 32 C A C6 1
1124
+ ATOM 180 H "H5'" . C A 1 6 ? -0.508 8.861 16.922 1.00 0.00 ? 32 C A "H5'" 1
1125
+ ATOM 181 H "H5''" . C A 1 6 ? -0.436 8.537 18.663 1.00 0.00 ? 32 C A "H5''" 1
1126
+ ATOM 182 H "H4'" . C A 1 6 ? -2.454 7.607 17.470 1.00 0.00 ? 32 C A "H4'" 1
1127
+ ATOM 183 H "H3'" . C A 1 6 ? -0.670 5.606 18.923 1.00 0.00 ? 32 C A "H3'" 1
1128
+ ATOM 184 H "H2'" . C A 1 6 ? -2.421 4.016 18.374 1.00 0.00 ? 32 C A "H2'" 1
1129
+ ATOM 185 H "HO2'" . C A 1 6 ? -4.369 4.829 17.461 1.00 0.00 ? 32 C A "HO2'" 1
1130
+ ATOM 186 H "H1'" . C A 1 6 ? -2.809 4.972 15.818 1.00 0.00 ? 32 C A "H1'" 1
1131
+ ATOM 187 H H41 . C A 1 6 ? 0.972 -0.039 14.933 1.00 0.00 ? 32 C A H41 1
1132
+ ATOM 188 H H42 . C A 1 6 ? 2.377 0.996 15.052 1.00 0.00 ? 32 C A H42 1
1133
+ ATOM 189 H H5 . C A 1 6 ? 2.238 3.360 15.734 1.00 0.00 ? 32 C A H5 1
1134
+ ATOM 190 H H6 . C A 1 6 ? 0.795 5.070 16.484 1.00 0.00 ? 32 C A H6 1
1135
+ ATOM 191 P P . U A 1 7 ? -2.006 6.333 21.303 1.00 0.00 ? 33 U A P 1
1136
+ ATOM 192 O OP1 . U A 1 7 ? -2.413 7.488 22.134 1.00 0.00 ? 33 U A OP1 1
1137
+ ATOM 193 O OP2 . U A 1 7 ? -0.648 5.765 21.458 1.00 0.00 ? 33 U A OP2 1
1138
+ ATOM 194 O "O5'" . U A 1 7 ? -3.073 5.160 21.544 1.00 0.00 ? 33 U A "O5'" 1
1139
+ ATOM 195 C "C5'" . U A 1 7 ? -4.452 5.422 21.470 1.00 0.00 ? 33 U A "C5'" 1
1140
+ ATOM 196 C "C4'" . U A 1 7 ? -5.159 4.174 20.954 1.00 0.00 ? 33 U A "C4'" 1
1141
+ ATOM 197 O "O4'" . U A 1 7 ? -4.371 3.626 19.915 1.00 0.00 ? 33 U A "O4'" 1
1142
+ ATOM 198 C "C3'" . U A 1 7 ? -5.304 3.068 22.011 1.00 0.00 ? 33 U A "C3'" 1
1143
+ ATOM 199 O "O3'" . U A 1 7 ? -6.619 2.937 22.559 1.00 0.00 ? 33 U A "O3'" 1
1144
+ ATOM 200 C "C2'" . U A 1 7 ? -4.900 1.793 21.288 1.00 0.00 ? 33 U A "C2'" 1
1145
+ ATOM 201 O "O2'" . U A 1 7 ? -6.035 1.031 21.032 1.00 0.00 ? 33 U A "O2'" 1
1146
+ ATOM 202 C "C1'" . U A 1 7 ? -4.479 2.212 19.898 1.00 0.00 ? 33 U A "C1'" 1
1147
+ ATOM 203 N N1 . U A 1 7 ? -3.150 1.605 19.627 1.00 0.00 ? 33 U A N1 1
1148
+ ATOM 204 C C2 . U A 1 7 ? -3.060 0.496 18.795 1.00 0.00 ? 33 U A C2 1
1149
+ ATOM 205 O O2 . U A 1 7 ? -4.037 -0.038 18.275 1.00 0.00 ? 33 U A O2 1
1150
+ ATOM 206 N N3 . U A 1 7 ? -1.785 -0.005 18.581 1.00 0.00 ? 33 U A N3 1
1151
+ ATOM 207 C C4 . U A 1 7 ? -0.614 0.456 19.162 1.00 0.00 ? 33 U A C4 1
1152
+ ATOM 208 O O4 . U A 1 7 ? 0.468 -0.058 18.888 1.00 0.00 ? 33 U A O4 1
1153
+ ATOM 209 C C5 . U A 1 7 ? -0.814 1.542 20.089 1.00 0.00 ? 33 U A C5 1
1154
+ ATOM 210 C C6 . U A 1 7 ? -2.042 2.068 20.287 1.00 0.00 ? 33 U A C6 1
1155
+ ATOM 211 H "H5'" . U A 1 7 ? -4.611 6.219 20.744 1.00 0.00 ? 33 U A "H5'" 1
1156
+ ATOM 212 H "H5''" . U A 1 7 ? -4.847 5.733 22.438 1.00 0.00 ? 33 U A "H5''" 1
1157
+ ATOM 213 H "H4'" . U A 1 7 ? -6.098 4.552 20.561 1.00 0.00 ? 33 U A "H4'" 1
1158
+ ATOM 214 H "H3'" . U A 1 7 ? -4.531 3.242 22.762 1.00 0.00 ? 33 U A "H3'" 1
1159
+ ATOM 215 H "H2'" . U A 1 7 ? -4.151 1.223 21.836 1.00 0.00 ? 33 U A "H2'" 1
1160
+ ATOM 216 H "HO2'" . U A 1 7 ? -6.697 1.622 20.670 1.00 0.00 ? 33 U A "HO2'" 1
1161
+ ATOM 217 H "H1'" . U A 1 7 ? -5.271 1.876 19.218 1.00 0.00 ? 33 U A "H1'" 1
1162
+ ATOM 218 H H3 . U A 1 7 ? -1.703 -0.791 17.951 1.00 0.00 ? 33 U A H3 1
1163
+ ATOM 219 H H5 . U A 1 7 ? 0.030 1.943 20.631 1.00 0.00 ? 33 U A H5 1
1164
+ ATOM 220 H H6 . U A 1 7 ? -2.159 2.865 21.006 1.00 0.00 ? 33 U A H6 1
1165
+ ATOM 221 P P . U A 1 8 ? -6.927 1.940 23.817 1.00 0.00 ? 34 U A P 1
1166
+ ATOM 222 O OP1 . U A 1 8 ? -8.097 2.490 24.537 1.00 0.00 ? 34 U A OP1 1
1167
+ ATOM 223 O OP2 . U A 1 8 ? -5.654 1.752 24.548 1.00 0.00 ? 34 U A OP2 1
1168
+ ATOM 224 O "O5'" . U A 1 8 ? -7.369 0.484 23.229 1.00 0.00 ? 34 U A "O5'" 1
1169
+ ATOM 225 C "C5'" . U A 1 8 ? -8.720 0.034 23.135 1.00 0.00 ? 34 U A "C5'" 1
1170
+ ATOM 226 C "C4'" . U A 1 8 ? -8.983 -1.163 22.172 1.00 0.00 ? 34 U A "C4'" 1
1171
+ ATOM 227 O "O4'" . U A 1 8 ? -9.909 -0.826 21.163 1.00 0.00 ? 34 U A "O4'" 1
1172
+ ATOM 228 C "C3'" . U A 1 8 ? -7.770 -1.799 21.485 1.00 0.00 ? 34 U A "C3'" 1
1173
+ ATOM 229 O "O3'" . U A 1 8 ? -7.735 -3.177 21.790 1.00 0.00 ? 34 U A "O3'" 1
1174
+ ATOM 230 C "C2'" . U A 1 8 ? -7.974 -1.656 19.989 1.00 0.00 ? 34 U A "C2'" 1
1175
+ ATOM 231 O "O2'" . U A 1 8 ? -7.732 -2.892 19.356 1.00 0.00 ? 34 U A "O2'" 1
1176
+ ATOM 232 C "C1'" . U A 1 8 ? -9.468 -1.314 19.903 1.00 0.00 ? 34 U A "C1'" 1
1177
+ ATOM 233 N N1 . U A 1 8 ? -9.602 -0.130 19.038 1.00 0.00 ? 34 U A N1 1
1178
+ ATOM 234 C C2 . U A 1 8 ? -10.292 -0.180 17.837 1.00 0.00 ? 34 U A C2 1
1179
+ ATOM 235 O O2 . U A 1 8 ? -10.772 -1.215 17.379 1.00 0.00 ? 34 U A O2 1
1180
+ ATOM 236 N N3 . U A 1 8 ? -10.411 1.030 17.168 1.00 0.00 ? 34 U A N3 1
1181
+ ATOM 237 C C4 . U A 1 8 ? -9.912 2.255 17.592 1.00 0.00 ? 34 U A C4 1
1182
+ ATOM 238 O O4 . U A 1 8 ? -10.082 3.268 16.917 1.00 0.00 ? 34 U A O4 1
1183
+ ATOM 239 C C5 . U A 1 8 ? -9.205 2.201 18.852 1.00 0.00 ? 34 U A C5 1
1184
+ ATOM 240 C C6 . U A 1 8 ? -9.087 1.034 19.519 1.00 0.00 ? 34 U A C6 1
1185
+ ATOM 241 H "H5'" . U A 1 8 ? -9.343 0.870 22.820 1.00 0.00 ? 34 U A "H5'" 1
1186
+ ATOM 242 H "H5''" . U A 1 8 ? -9.043 -0.258 24.134 1.00 0.00 ? 34 U A "H5''" 1
1187
+ ATOM 243 H "H4'" . U A 1 8 ? -9.444 -1.948 22.771 1.00 0.00 ? 34 U A "H4'" 1
1188
+ ATOM 244 H "H3'" . U A 1 8 ? -6.862 -1.251 21.652 1.00 0.00 ? 34 U A "H3'" 1
1189
+ ATOM 245 H "H2'" . U A 1 8 ? -7.255 -0.913 19.588 1.00 0.00 ? 34 U A "H2'" 1
1190
+ ATOM 246 H "HO2'" . U A 1 8 ? -8.332 -3.546 19.723 1.00 0.00 ? 34 U A "HO2'" 1
1191
+ ATOM 247 H "H1'" . U A 1 8 ? -10.055 -2.180 19.598 1.00 0.00 ? 34 U A "H1'" 1
1192
+ ATOM 248 H H3 . U A 1 8 ? -10.910 1.020 16.290 1.00 0.00 ? 34 U A H3 1
1193
+ ATOM 249 H H5 . U A 1 8 ? -8.769 3.100 19.263 1.00 0.00 ? 34 U A H5 1
1194
+ ATOM 250 H H6 . U A 1 8 ? -8.537 0.939 20.452 1.00 0.00 ? 34 U A H6 1
1195
+ ATOM 251 P P . U A 1 9 ? -6.919 -3.759 23.049 1.00 0.00 ? 35 U A P 1
1196
+ ATOM 252 O OP1 . U A 1 9 ? -7.341 -5.162 23.255 1.00 0.00 ? 35 U A OP1 1
1197
+ ATOM 253 O OP2 . U A 1 9 ? -7.022 -2.788 24.162 1.00 0.00 ? 35 U A OP2 1
1198
+ ATOM 254 O "O5'" . U A 1 9 ? -5.398 -3.773 22.528 1.00 0.00 ? 35 U A "O5'" 1
1199
+ ATOM 255 C "C5'" . U A 1 9 ? -5.096 -4.138 21.206 1.00 0.00 ? 35 U A "C5'" 1
1200
+ ATOM 256 C "C4'" . U A 1 9 ? -3.602 -4.399 20.972 1.00 0.00 ? 35 U A "C4'" 1
1201
+ ATOM 257 O "O4'" . U A 1 9 ? -2.856 -3.345 21.546 1.00 0.00 ? 35 U A "O4'" 1
1202
+ ATOM 258 C "C3'" . U A 1 9 ? -3.052 -5.696 21.552 1.00 0.00 ? 35 U A "C3'" 1
1203
+ ATOM 259 O "O3'" . U A 1 9 ? -2.547 -6.489 20.493 1.00 0.00 ? 35 U A "O3'" 1
1204
+ ATOM 260 C "C2'" . U A 1 9 ? -1.895 -5.324 22.454 1.00 0.00 ? 35 U A "C2'" 1
1205
+ ATOM 261 O "O2'" . U A 1 9 ? -0.747 -6.024 22.046 1.00 0.00 ? 35 U A "O2'" 1
1206
+ ATOM 262 C "C1'" . U A 1 9 ? -1.668 -3.847 22.135 1.00 0.00 ? 35 U A "C1'" 1
1207
+ ATOM 263 N N1 . U A 1 9 ? -1.544 -3.094 23.407 1.00 0.00 ? 35 U A N1 1
1208
+ ATOM 264 C C2 . U A 1 9 ? -0.434 -2.290 23.631 1.00 0.00 ? 35 U A C2 1
1209
+ ATOM 265 O O2 . U A 1 9 ? 0.549 -2.274 22.893 1.00 0.00 ? 35 U A O2 1
1210
+ ATOM 266 N N3 . U A 1 9 ? -0.489 -1.481 24.756 1.00 0.00 ? 35 U A N3 1
1211
+ ATOM 267 C C4 . U A 1 9 ? -1.544 -1.391 25.651 1.00 0.00 ? 35 U A C4 1
1212
+ ATOM 268 O O4 . U A 1 9 ? -1.492 -0.617 26.605 1.00 0.00 ? 35 U A O4 1
1213
+ ATOM 269 C C5 . U A 1 9 ? -2.650 -2.268 25.349 1.00 0.00 ? 35 U A C5 1
1214
+ ATOM 270 C C6 . U A 1 9 ? -2.615 -3.077 24.263 1.00 0.00 ? 35 U A C6 1
1215
+ ATOM 271 H "H5'" . U A 1 9 ? -5.406 -3.312 20.568 1.00 0.00 ? 35 U A "H5'" 1
1216
+ ATOM 272 H "H5''" . U A 1 9 ? -5.667 -5.025 20.929 1.00 0.00 ? 35 U A "H5''" 1
1217
+ ATOM 273 H "H4'" . U A 1 9 ? -3.408 -4.448 19.901 1.00 0.00 ? 35 U A "H4'" 1
1218
+ ATOM 274 H "H3'" . U A 1 9 ? -3.804 -6.094 22.233 1.00 0.00 ? 35 U A "H3'" 1
1219
+ ATOM 275 H "H2'" . U A 1 9 ? -2.072 -5.633 23.481 1.00 0.00 ? 35 U A "H2'" 1
1220
+ ATOM 276 H "HO2'" . U A 1 9 ? -0.878 -6.952 22.252 1.00 0.00 ? 35 U A "HO2'" 1
1221
+ ATOM 277 H "H1'" . U A 1 9 ? -0.837 -3.743 21.439 1.00 0.00 ? 35 U A "H1'" 1
1222
+ ATOM 278 H H3 . U A 1 9 ? 0.310 -0.889 24.933 1.00 0.00 ? 35 U A H3 1
1223
+ ATOM 279 H H5 . U A 1 9 ? -3.518 -2.247 25.998 1.00 0.00 ? 35 U A H5 1
1224
+ ATOM 280 H H6 . U A 1 9 ? -3.439 -3.757 24.052 1.00 0.00 ? 35 U A H6 1
1225
+ ATOM 281 P P . U A 1 10 ? -2.208 -8.072 20.675 1.00 0.00 ? 36 U A P 1
1226
+ ATOM 282 O OP1 . U A 1 10 ? -3.411 -8.827 20.258 1.00 0.00 ? 36 U A OP1 1
1227
+ ATOM 283 O OP2 . U A 1 10 ? -1.674 -8.267 22.041 1.00 0.00 ? 36 U A OP2 1
1228
+ ATOM 284 O "O5'" . U A 1 10 ? -1.012 -8.442 19.624 1.00 0.00 ? 36 U A "O5'" 1
1229
+ ATOM 285 C "C5'" . U A 1 10 ? 0.307 -7.952 19.802 1.00 0.00 ? 36 U A "C5'" 1
1230
+ ATOM 286 C "C4'" . U A 1 10 ? 1.428 -8.779 19.129 1.00 0.00 ? 36 U A "C4'" 1
1231
+ ATOM 287 O "O4'" . U A 1 10 ? 2.188 -9.318 20.207 1.00 0.00 ? 36 U A "O4'" 1
1232
+ ATOM 288 C "C3'" . U A 1 10 ? 0.987 -9.962 18.236 1.00 0.00 ? 36 U A "C3'" 1
1233
+ ATOM 289 O "O3'" . U A 1 10 ? 1.894 -10.441 17.239 1.00 0.00 ? 36 U A "O3'" 1
1234
+ ATOM 290 C "C2'" . U A 1 10 ? 0.952 -11.026 19.293 1.00 0.00 ? 36 U A "C2'" 1
1235
+ ATOM 291 O "O2'" . U A 1 10 ? 0.922 -12.325 18.746 1.00 0.00 ? 36 U A "O2'" 1
1236
+ ATOM 292 C "C1'" . U A 1 10 ? 2.239 -10.718 20.047 1.00 0.00 ? 36 U A "C1'" 1
1237
+ ATOM 293 N N1 . U A 1 10 ? 2.352 -11.465 21.331 1.00 0.00 ? 36 U A N1 1
1238
+ ATOM 294 C C2 . U A 1 10 ? 3.617 -11.777 21.809 1.00 0.00 ? 36 U A C2 1
1239
+ ATOM 295 O O2 . U A 1 10 ? 4.650 -11.363 21.287 1.00 0.00 ? 36 U A O2 1
1240
+ ATOM 296 N N3 . U A 1 10 ? 3.663 -12.591 22.931 1.00 0.00 ? 36 U A N3 1
1241
+ ATOM 297 C C4 . U A 1 10 ? 2.572 -13.100 23.617 1.00 0.00 ? 36 U A C4 1
1242
+ ATOM 298 O O4 . U A 1 10 ? 2.729 -13.819 24.601 1.00 0.00 ? 36 U A O4 1
1243
+ ATOM 299 C C5 . U A 1 10 ? 1.298 -12.702 23.067 1.00 0.00 ? 36 U A C5 1
1244
+ ATOM 300 C C6 . U A 1 10 ? 1.226 -11.917 21.970 1.00 0.00 ? 36 U A C6 1
1245
+ ATOM 301 H "H5'" . U A 1 10 ? 0.518 -7.976 20.870 1.00 0.00 ? 36 U A "H5'" 1
1246
+ ATOM 302 H "H5''" . U A 1 10 ? 0.361 -6.911 19.483 1.00 0.00 ? 36 U A "H5''" 1
1247
+ ATOM 303 H "H4'" . U A 1 10 ? 2.040 -8.088 18.561 1.00 0.00 ? 36 U A "H4'" 1
1248
+ ATOM 304 H "H3'" . U A 1 10 ? -0.027 -9.891 17.877 1.00 0.00 ? 36 U A "H3'" 1
1249
+ ATOM 305 H "H2'" . U A 1 10 ? 0.052 -10.778 19.844 1.00 0.00 ? 36 U A "H2'" 1
1250
+ ATOM 306 H "HO2'" . U A 1 10 ? 1.706 -12.446 18.205 1.00 0.00 ? 36 U A "HO2'" 1
1251
+ ATOM 307 H "H1'" . U A 1 10 ? 3.072 -10.937 19.382 1.00 0.00 ? 36 U A "H1'" 1
1252
+ ATOM 308 H H3 . U A 1 10 ? 4.578 -12.833 23.284 1.00 0.00 ? 36 U A H3 1
1253
+ ATOM 309 H H5 . U A 1 10 ? 0.387 -13.038 23.540 1.00 0.00 ? 36 U A H5 1
1254
+ ATOM 310 H H6 . U A 1 10 ? 0.244 -11.643 21.604 1.00 0.00 ? 36 U A H6 1
1255
+ ATOM 311 P P . A A 1 11 ? 1.942 -9.969 15.674 1.00 0.00 ? 37 A A P 1
1256
+ ATOM 312 O OP1 . A A 1 11 ? 2.285 -11.169 14.879 1.00 0.00 ? 37 A A OP1 1
1257
+ ATOM 313 O OP2 . A A 1 11 ? 2.808 -8.773 15.575 1.00 0.00 ? 37 A A OP2 1
1258
+ ATOM 314 O "O5'" . A A 1 11 ? 0.417 -9.579 15.315 1.00 0.00 ? 37 A A "O5'" 1
1259
+ ATOM 315 C "C5'" . A A 1 11 ? -0.699 -10.429 15.371 1.00 0.00 ? 37 A A "C5'" 1
1260
+ ATOM 316 C "C4'" . A A 1 11 ? -1.780 -9.441 15.829 1.00 0.00 ? 37 A A "C4'" 1
1261
+ ATOM 317 O "O4'" . A A 1 11 ? -1.174 -8.621 16.820 1.00 0.00 ? 37 A A "O4'" 1
1262
+ ATOM 318 C "C3'" . A A 1 11 ? -2.274 -8.489 14.742 1.00 0.00 ? 37 A A "C3'" 1
1263
+ ATOM 319 O "O3'" . A A 1 11 ? -3.486 -9.004 14.208 1.00 0.00 ? 37 A A "O3'" 1
1264
+ ATOM 320 C "C2'" . A A 1 11 ? -2.396 -7.176 15.482 1.00 0.00 ? 37 A A "C2'" 1
1265
+ ATOM 321 O "O2'" . A A 1 11 ? -3.732 -6.840 15.708 1.00 0.00 ? 37 A A "O2'" 1
1266
+ ATOM 322 C "C1'" . A A 1 11 ? -1.703 -7.316 16.806 1.00 0.00 ? 37 A A "C1'" 1
1267
+ ATOM 323 N N9 . A A 1 11 ? -0.691 -6.265 16.822 1.00 0.00 ? 37 A A N9 1
1268
+ ATOM 324 C C8 . A A 1 11 ? 0.589 -6.374 16.420 1.00 0.00 ? 37 A A C8 1
1269
+ ATOM 325 N N7 . A A 1 11 ? 1.250 -5.248 16.397 1.00 0.00 ? 37 A A N7 1
1270
+ ATOM 326 C C5 . A A 1 11 ? 0.287 -4.308 16.771 1.00 0.00 ? 37 A A C5 1
1271
+ ATOM 327 C C6 . A A 1 11 ? 0.289 -2.906 16.849 1.00 0.00 ? 37 A A C6 1
1272
+ ATOM 328 N N6 . A A 1 11 ? 1.378 -2.157 16.631 1.00 0.00 ? 37 A A N6 1
1273
+ ATOM 329 N N1 . A A 1 11 ? -0.884 -2.300 17.096 1.00 0.00 ? 37 A A N1 1
1274
+ ATOM 330 C C2 . A A 1 11 ? -1.972 -3.035 17.287 1.00 0.00 ? 37 A A C2 1
1275
+ ATOM 331 N N3 . A A 1 11 ? -2.099 -4.350 17.282 1.00 0.00 ? 37 A A N3 1
1276
+ ATOM 332 C C4 . A A 1 11 ? -0.908 -4.927 17.016 1.00 0.00 ? 37 A A C4 1
1277
+ ATOM 333 H "H5'" . A A 1 11 ? -0.563 -11.247 16.075 1.00 0.00 ? 37 A A "H5'" 1
1278
+ ATOM 334 H "H5''" . A A 1 11 ? -0.932 -10.831 14.385 1.00 0.00 ? 37 A A "H5''" 1
1279
+ ATOM 335 H "H4'" . A A 1 11 ? -2.635 -9.965 16.255 1.00 0.00 ? 37 A A "H4'" 1
1280
+ ATOM 336 H "H3'" . A A 1 11 ? -1.528 -8.254 13.987 1.00 0.00 ? 37 A A "H3'" 1
1281
+ ATOM 337 H "H2'" . A A 1 11 ? -1.779 -6.456 14.962 1.00 0.00 ? 37 A A "H2'" 1
1282
+ ATOM 338 H "HO2'" . A A 1 11 ? -3.759 -6.017 16.202 1.00 0.00 ? 37 A A "HO2'" 1
1283
+ ATOM 339 H "H1'" . A A 1 11 ? -2.285 -7.062 17.664 1.00 0.00 ? 37 A A "H1'" 1
1284
+ ATOM 340 H H8 . A A 1 11 ? 0.897 -7.356 16.132 1.00 0.00 ? 37 A A H8 1
1285
+ ATOM 341 H H61 . A A 1 11 ? 1.316 -1.150 16.677 1.00 0.00 ? 37 A A H61 1
1286
+ ATOM 342 H H62 . A A 1 11 ? 2.261 -2.599 16.420 1.00 0.00 ? 37 A A H62 1
1287
+ ATOM 343 H H2 . A A 1 11 ? -2.901 -2.505 17.440 1.00 0.00 ? 37 A A H2 1
1288
+ ATOM 344 P P . A A 1 12 ? -4.097 -8.563 12.770 1.00 0.00 ? 38 A A P 1
1289
+ ATOM 345 O OP1 . A A 1 12 ? -4.955 -9.667 12.286 1.00 0.00 ? 38 A A OP1 1
1290
+ ATOM 346 O OP2 . A A 1 12 ? -2.991 -8.074 11.916 1.00 0.00 ? 38 A A OP2 1
1291
+ ATOM 347 O "O5'" . A A 1 12 ? -5.056 -7.315 13.102 1.00 0.00 ? 38 A A "O5'" 1
1292
+ ATOM 348 C "C5'" . A A 1 12 ? -6.353 -7.493 13.626 1.00 0.00 ? 38 A A "C5'" 1
1293
+ ATOM 349 C "C4'" . A A 1 12 ? -6.828 -6.168 14.215 1.00 0.00 ? 38 A A "C4'" 1
1294
+ ATOM 350 O "O4'" . A A 1 12 ? -5.843 -5.682 15.117 1.00 0.00 ? 38 A A "O4'" 1
1295
+ ATOM 351 C "C3'" . A A 1 12 ? -7.042 -5.038 13.220 1.00 0.00 ? 38 A A "C3'" 1
1296
+ ATOM 352 O "O3'" . A A 1 12 ? -8.330 -5.145 12.603 1.00 0.00 ? 38 A A "O3'" 1
1297
+ ATOM 353 C "C2'" . A A 1 12 ? -6.893 -3.820 14.140 1.00 0.00 ? 38 A A "C2'" 1
1298
+ ATOM 354 O "O2'" . A A 1 12 ? -8.104 -3.568 14.819 1.00 0.00 ? 38 A A "O2'" 1
1299
+ ATOM 355 C "C1'" . A A 1 12 ? -5.814 -4.262 15.129 1.00 0.00 ? 38 A A "C1'" 1
1300
+ ATOM 356 N N9 . A A 1 12 ? -4.528 -3.710 14.760 1.00 0.00 ? 38 A A N9 1
1301
+ ATOM 357 C C8 . A A 1 12 ? -3.576 -4.292 13.977 1.00 0.00 ? 38 A A C8 1
1302
+ ATOM 358 N N7 . A A 1 12 ? -2.567 -3.481 13.783 1.00 0.00 ? 38 A A N7 1
1303
+ ATOM 359 C C5 . A A 1 12 ? -2.955 -2.282 14.397 1.00 0.00 ? 38 A A C5 1
1304
+ ATOM 360 C C6 . A A 1 12 ? -2.338 -1.027 14.533 1.00 0.00 ? 38 A A C6 1
1305
+ ATOM 361 N N6 . A A 1 12 ? -1.086 -0.751 14.145 1.00 0.00 ? 38 A A N6 1
1306
+ ATOM 362 N N1 . A A 1 12 ? -3.088 -0.053 15.062 1.00 0.00 ? 38 A A N1 1
1307
+ ATOM 363 C C2 . A A 1 12 ? -4.324 -0.275 15.478 1.00 0.00 ? 38 A A C2 1
1308
+ ATOM 364 N N3 . A A 1 12 ? -4.983 -1.422 15.477 1.00 0.00 ? 38 A A N3 1
1309
+ ATOM 365 C C4 . A A 1 12 ? -4.220 -2.389 14.913 1.00 0.00 ? 38 A A C4 1
1310
+ ATOM 366 H H1 . A A 1 12 ? -2.703 0.876 15.142 1.00 0.00 ? 38 A A H1 1
1311
+ ATOM 367 H "H5'" . A A 1 12 ? -6.318 -8.230 14.428 1.00 0.00 ? 38 A A "H5'" 1
1312
+ ATOM 368 H "H5''" . A A 1 12 ? -7.041 -7.822 12.848 1.00 0.00 ? 38 A A "H5''" 1
1313
+ ATOM 369 H "H4'" . A A 1 12 ? -7.756 -6.320 14.784 1.00 0.00 ? 38 A A "H4'" 1
1314
+ ATOM 370 H "H3'" . A A 1 12 ? -6.232 -5.072 12.479 1.00 0.00 ? 38 A A "H3'" 1
1315
+ ATOM 371 H "H2'" . A A 1 12 ? -6.551 -2.937 13.594 1.00 0.00 ? 38 A A "H2'" 1
1316
+ ATOM 372 H "HO2'" . A A 1 12 ? -7.976 -2.833 15.442 1.00 0.00 ? 38 A A "HO2'" 1
1317
+ ATOM 373 H "H1'" . A A 1 12 ? -5.995 -3.963 16.168 1.00 0.00 ? 38 A A "H1'" 1
1318
+ ATOM 374 H H8 . A A 1 12 ? -3.630 -5.303 13.603 1.00 0.00 ? 38 A A H8 1
1319
+ ATOM 375 H H61 . A A 1 12 ? -0.709 0.175 14.297 1.00 0.00 ? 38 A A H61 1
1320
+ ATOM 376 H H62 . A A 1 12 ? -0.513 -1.471 13.726 1.00 0.00 ? 38 A A H62 1
1321
+ ATOM 377 H H2 . A A 1 12 ? -4.850 0.583 15.879 1.00 0.00 ? 38 A A H2 1
1322
+ ATOM 378 P P . U A 1 13 ? -8.441 -4.285 11.229 1.00 0.00 ? 39 U A P 1
1323
+ ATOM 379 O OP1 . U A 1 13 ? -9.859 -4.314 10.805 1.00 0.00 ? 39 U A OP1 1
1324
+ ATOM 380 O OP2 . U A 1 13 ? -7.404 -4.787 10.300 1.00 0.00 ? 39 U A OP2 1
1325
+ ATOM 381 O "O5'" . U A 1 13 ? -8.075 -2.757 11.582 1.00 0.00 ? 39 U A "O5'" 1
1326
+ ATOM 382 C "C5'" . U A 1 13 ? -9.048 -1.867 12.079 1.00 0.00 ? 39 U A "C5'" 1
1327
+ ATOM 383 C "C4'" . U A 1 13 ? -8.434 -0.481 12.281 1.00 0.00 ? 39 U A "C4'" 1
1328
+ ATOM 384 O "O4'" . U A 1 13 ? -7.288 -0.551 13.109 1.00 0.00 ? 39 U A "O4'" 1
1329
+ ATOM 385 C "C3'" . U A 1 13 ? -7.977 0.216 11.000 1.00 0.00 ? 39 U A "C3'" 1
1330
+ ATOM 386 O "O3'" . U A 1 13 ? -9.050 0.792 10.281 1.00 0.00 ? 39 U A "O3'" 1
1331
+ ATOM 387 C "C2'" . U A 1 13 ? -7.061 1.253 11.604 1.00 0.00 ? 39 U A "C2'" 1
1332
+ ATOM 388 O "O2'" . U A 1 13 ? -7.780 2.380 12.051 1.00 0.00 ? 39 U A "O2'" 1
1333
+ ATOM 389 C "C1'" . U A 1 13 ? -6.433 0.534 12.786 1.00 0.00 ? 39 U A "C1'" 1
1334
+ ATOM 390 N N1 . U A 1 13 ? -5.073 0.096 12.370 1.00 0.00 ? 39 U A N1 1
1335
+ ATOM 391 C C2 . U A 1 13 ? -4.039 1.017 12.463 1.00 0.00 ? 39 U A C2 1
1336
+ ATOM 392 O O2 . U A 1 13 ? -4.201 2.162 12.882 1.00 0.00 ? 39 U A O2 1
1337
+ ATOM 393 N N3 . U A 1 13 ? -2.792 0.587 12.036 1.00 0.00 ? 39 U A N3 1
1338
+ ATOM 394 C C4 . U A 1 13 ? -2.482 -0.668 11.534 1.00 0.00 ? 39 U A C4 1
1339
+ ATOM 395 O O4 . U A 1 13 ? -1.330 -0.951 11.212 1.00 0.00 ? 39 U A O4 1
1340
+ ATOM 396 C C5 . U A 1 13 ? -3.620 -1.548 11.435 1.00 0.00 ? 39 U A C5 1
1341
+ ATOM 397 C C6 . U A 1 13 ? -4.847 -1.140 11.824 1.00 0.00 ? 39 U A C6 1
1342
+ ATOM 398 H "H5'" . U A 1 13 ? -9.421 -2.239 13.033 1.00 0.00 ? 39 U A "H5'" 1
1343
+ ATOM 399 H "H5''" . U A 1 13 ? -9.875 -1.793 11.373 1.00 0.00 ? 39 U A "H5''" 1
1344
+ ATOM 400 H "H4'" . U A 1 13 ? -9.168 0.162 12.766 1.00 0.00 ? 39 U A "H4'" 1
1345
+ ATOM 401 H "H3'" . U A 1 13 ? -7.357 -0.409 10.355 1.00 0.00 ? 39 U A "H3'" 1
1346
+ ATOM 402 H "H2'" . U A 1 13 ? -6.288 1.484 10.891 1.00 0.00 ? 39 U A "H2'" 1
1347
+ ATOM 403 H "HO2'" . U A 1 13 ? -8.415 2.098 12.713 1.00 0.00 ? 39 U A "HO2'" 1
1348
+ ATOM 404 H "H1'" . U A 1 13 ? -6.397 1.208 13.641 1.00 0.00 ? 39 U A "H1'" 1
1349
+ ATOM 405 H H3 . U A 1 13 ? -2.043 1.262 12.085 1.00 0.00 ? 39 U A H3 1
1350
+ ATOM 406 H H5 . U A 1 13 ? -3.490 -2.564 11.081 1.00 0.00 ? 39 U A H5 1
1351
+ ATOM 407 H H6 . U A 1 13 ? -5.665 -1.808 11.634 1.00 0.00 ? 39 U A H6 1
1352
+ ATOM 408 P P . C A 1 14 ? -8.860 1.323 8.765 1.00 0.00 ? 40 C A P 1
1353
+ ATOM 409 O OP1 . C A 1 14 ? -10.175 1.797 8.280 1.00 0.00 ? 40 C A OP1 1
1354
+ ATOM 410 O OP2 . C A 1 14 ? -8.134 0.281 8.003 1.00 0.00 ? 40 C A OP2 1
1355
+ ATOM 411 O "O5'" . C A 1 14 ? -7.893 2.606 8.897 1.00 0.00 ? 40 C A "O5'" 1
1356
+ ATOM 412 C "C5'" . C A 1 14 ? -8.409 3.871 9.247 1.00 0.00 ? 40 C A "C5'" 1
1357
+ ATOM 413 C "C4'" . C A 1 14 ? -7.270 4.880 9.390 1.00 0.00 ? 40 C A "C4'" 1
1358
+ ATOM 414 O "O4'" . C A 1 14 ? -6.249 4.380 10.236 1.00 0.00 ? 40 C A "O4'" 1
1359
+ ATOM 415 C "C3'" . C A 1 14 ? -6.565 5.207 8.078 1.00 0.00 ? 40 C A "C3'" 1
1360
+ ATOM 416 O "O3'" . C A 1 14 ? -7.302 6.094 7.259 1.00 0.00 ? 40 C A "O3'" 1
1361
+ ATOM 417 C "C2'" . C A 1 14 ? -5.311 5.854 8.641 1.00 0.00 ? 40 C A "C2'" 1
1362
+ ATOM 418 O "O2'" . C A 1 14 ? -5.588 7.169 9.068 1.00 0.00 ? 40 C A "O2'" 1
1363
+ ATOM 419 C "C1'" . C A 1 14 ? -5.021 4.994 9.867 1.00 0.00 ? 40 C A "C1'" 1
1364
+ ATOM 420 N N1 . C A 1 14 ? -3.968 3.997 9.526 1.00 0.00 ? 40 C A N1 1
1365
+ ATOM 421 C C2 . C A 1 14 ? -2.640 4.407 9.619 1.00 0.00 ? 40 C A C2 1
1366
+ ATOM 422 O O2 . C A 1 14 ? -2.349 5.545 9.981 1.00 0.00 ? 40 C A O2 1
1367
+ ATOM 423 N N3 . C A 1 14 ? -1.662 3.524 9.290 1.00 0.00 ? 40 C A N3 1
1368
+ ATOM 424 C C4 . C A 1 14 ? -1.952 2.298 8.844 1.00 0.00 ? 40 C A C4 1
1369
+ ATOM 425 N N4 . C A 1 14 ? -0.950 1.459 8.547 1.00 0.00 ? 40 C A N4 1
1370
+ ATOM 426 C C5 . C A 1 14 ? -3.310 1.881 8.673 1.00 0.00 ? 40 C A C5 1
1371
+ ATOM 427 C C6 . C A 1 14 ? -4.275 2.753 9.032 1.00 0.00 ? 40 C A C6 1
1372
+ ATOM 428 H "H5'" . C A 1 14 ? -8.943 3.795 10.194 1.00 0.00 ? 40 C A "H5'" 1
1373
+ ATOM 429 H "H5''" . C A 1 14 ? -9.101 4.210 8.476 1.00 0.00 ? 40 C A "H5''" 1
1374
+ ATOM 430 H "H4'" . C A 1 14 ? -7.667 5.801 9.817 1.00 0.00 ? 40 C A "H4'" 1
1375
+ ATOM 431 H "H3'" . C A 1 14 ? -6.308 4.292 7.546 1.00 0.00 ? 40 C A "H3'" 1
1376
+ ATOM 432 H "H2'" . C A 1 14 ? -4.487 5.841 7.934 1.00 0.00 ? 40 C A "H2'" 1
1377
+ ATOM 433 H "HO2'" . C A 1 14 ? -5.925 7.668 8.321 1.00 0.00 ? 40 C A "HO2'" 1
1378
+ ATOM 434 H "H1'" . C A 1 14 ? -4.708 5.645 10.685 1.00 0.00 ? 40 C A "H1'" 1
1379
+ ATOM 435 H H41 . C A 1 14 ? 0.010 1.751 8.670 1.00 0.00 ? 40 C A H41 1
1380
+ ATOM 436 H H42 . C A 1 14 ? -1.155 0.531 8.204 1.00 0.00 ? 40 C A H42 1
1381
+ ATOM 437 H H5 . C A 1 14 ? -3.586 0.922 8.263 1.00 0.00 ? 40 C A H5 1
1382
+ ATOM 438 H H6 . C A 1 14 ? -5.297 2.424 8.906 1.00 0.00 ? 40 C A H6 1
1383
+ ATOM 439 P P . U A 1 15 ? -7.013 6.211 5.671 1.00 0.00 ? 41 U A P 1
1384
+ ATOM 440 O OP1 . U A 1 15 ? -7.981 7.176 5.104 1.00 0.00 ? 41 U A OP1 1
1385
+ ATOM 441 O OP2 . U A 1 15 ? -6.945 4.840 5.118 1.00 0.00 ? 41 U A OP2 1
1386
+ ATOM 442 O "O5'" . U A 1 15 ? -5.544 6.865 5.553 1.00 0.00 ? 41 U A "O5'" 1
1387
+ ATOM 443 C "C5'" . U A 1 15 ? -5.370 8.265 5.585 1.00 0.00 ? 41 U A "C5'" 1
1388
+ ATOM 444 C "C4'" . U A 1 15 ? -3.893 8.644 5.459 1.00 0.00 ? 41 U A "C4'" 1
1389
+ ATOM 445 O "O4'" . U A 1 15 ? -3.105 8.006 6.449 1.00 0.00 ? 41 U A "O4'" 1
1390
+ ATOM 446 C "C3'" . U A 1 15 ? -3.252 8.264 4.127 1.00 0.00 ? 41 U A "C3'" 1
1391
+ ATOM 447 O "O3'" . U A 1 15 ? -3.632 9.151 3.092 1.00 0.00 ? 41 U A "O3'" 1
1392
+ ATOM 448 C "C2'" . U A 1 15 ? -1.788 8.396 4.522 1.00 0.00 ? 41 U A "C2'" 1
1393
+ ATOM 449 O "O2'" . U A 1 15 ? -1.393 9.750 4.555 1.00 0.00 ? 41 U A "O2'" 1
1394
+ ATOM 450 C "C1'" . U A 1 15 ? -1.784 7.851 5.947 1.00 0.00 ? 41 U A "C1'" 1
1395
+ ATOM 451 N N1 . U A 1 15 ? -1.357 6.424 5.944 1.00 0.00 ? 41 U A N1 1
1396
+ ATOM 452 C C2 . U A 1 15 ? 0.007 6.155 5.988 1.00 0.00 ? 41 U A C2 1
1397
+ ATOM 453 O O2 . U A 1 15 ? 0.870 7.031 5.938 1.00 0.00 ? 41 U A O2 1
1398
+ ATOM 454 N N3 . U A 1 15 ? 0.364 4.819 6.088 1.00 0.00 ? 41 U A N3 1
1399
+ ATOM 455 C C4 . U A 1 15 ? -0.497 3.735 6.086 1.00 0.00 ? 41 U A C4 1
1400
+ ATOM 456 O O4 . U A 1 15 ? -0.069 2.588 6.189 1.00 0.00 ? 41 U A O4 1
1401
+ ATOM 457 C C5 . U A 1 15 ? -1.883 4.098 5.941 1.00 0.00 ? 41 U A C5 1
1402
+ ATOM 458 C C6 . U A 1 15 ? -2.261 5.392 5.876 1.00 0.00 ? 41 U A C6 1
1403
+ ATOM 459 H "H5'" . U A 1 15 ? -5.759 8.657 6.524 1.00 0.00 ? 41 U A "H5'" 1
1404
+ ATOM 460 H "H5''" . U A 1 15 ? -5.923 8.713 4.760 1.00 0.00 ? 41 U A "H5''" 1
1405
+ ATOM 461 H "H4'" . U A 1 15 ? -3.807 9.722 5.586 1.00 0.00 ? 41 U A "H4'" 1
1406
+ ATOM 462 H "H3'" . U A 1 15 ? -3.460 7.228 3.862 1.00 0.00 ? 41 U A "H3'" 1
1407
+ ATOM 463 H "H2'" . U A 1 15 ? -1.127 7.825 3.880 1.00 0.00 ? 41 U A "H2'" 1
1408
+ ATOM 464 H "HO2'" . U A 1 15 ? -1.840 10.189 5.281 1.00 0.00 ? 41 U A "HO2'" 1
1409
+ ATOM 465 H "H1'" . U A 1 15 ? -1.111 8.457 6.555 1.00 0.00 ? 41 U A "H1'" 1
1410
+ ATOM 466 H H3 . U A 1 15 ? 1.352 4.616 6.141 1.00 0.00 ? 41 U A H3 1
1411
+ ATOM 467 H H5 . U A 1 15 ? -2.632 3.322 5.886 1.00 0.00 ? 41 U A H5 1
1412
+ ATOM 468 H H6 . U A 1 15 ? -3.315 5.571 5.752 1.00 0.00 ? 41 U A H6 1
1413
+ ATOM 469 P P . G A 1 16 ? -3.381 8.798 1.534 1.00 0.00 ? 42 G A P 1
1414
+ ATOM 470 O OP1 . G A 1 16 ? -4.041 9.840 0.717 1.00 0.00 ? 42 G A OP1 1
1415
+ ATOM 471 O OP2 . G A 1 16 ? -3.720 7.374 1.316 1.00 0.00 ? 42 G A OP2 1
1416
+ ATOM 472 O "O5'" . G A 1 16 ? -1.792 8.969 1.358 1.00 0.00 ? 42 G A "O5'" 1
1417
+ ATOM 473 C "C5'" . G A 1 16 ? -1.214 10.253 1.339 1.00 0.00 ? 42 G A "C5'" 1
1418
+ ATOM 474 C "C4'" . G A 1 16 ? 0.300 10.121 1.459 1.00 0.00 ? 42 G A "C4'" 1
1419
+ ATOM 475 O "O4'" . G A 1 16 ? 0.638 9.103 2.378 1.00 0.00 ? 42 G A "O4'" 1
1420
+ ATOM 476 C "C3'" . G A 1 16 ? 0.996 9.760 0.154 1.00 0.00 ? 42 G A "C3'" 1
1421
+ ATOM 477 O "O3'" . G A 1 16 ? 1.149 10.914 -0.642 1.00 0.00 ? 42 G A "O3'" 1
1422
+ ATOM 478 C "C2'" . G A 1 16 ? 2.321 9.251 0.700 1.00 0.00 ? 42 G A "C2'" 1
1423
+ ATOM 479 O "O2'" . G A 1 16 ? 3.165 10.332 1.031 1.00 0.00 ? 42 G A "O2'" 1
1424
+ ATOM 480 C "C1'" . G A 1 16 ? 1.876 8.542 1.979 1.00 0.00 ? 42 G A "C1'" 1
1425
+ ATOM 481 N N9 . G A 1 16 ? 1.729 7.099 1.735 1.00 0.00 ? 42 G A N9 1
1426
+ ATOM 482 C C8 . G A 1 16 ? 0.588 6.347 1.693 1.00 0.00 ? 42 G A C8 1
1427
+ ATOM 483 N N7 . G A 1 16 ? 0.800 5.068 1.562 1.00 0.00 ? 42 G A N7 1
1428
+ ATOM 484 C C5 . G A 1 16 ? 2.187 4.966 1.511 1.00 0.00 ? 42 G A C5 1
1429
+ ATOM 485 C C6 . G A 1 16 ? 3.010 3.815 1.405 1.00 0.00 ? 42 G A C6 1
1430
+ ATOM 486 O O6 . G A 1 16 ? 2.668 2.636 1.350 1.00 0.00 ? 42 G A O6 1
1431
+ ATOM 487 N N1 . G A 1 16 ? 4.354 4.156 1.375 1.00 0.00 ? 42 G A N1 1
1432
+ ATOM 488 C C2 . G A 1 16 ? 4.854 5.437 1.471 1.00 0.00 ? 42 G A C2 1
1433
+ ATOM 489 N N2 . G A 1 16 ? 6.187 5.567 1.439 1.00 0.00 ? 42 G A N2 1
1434
+ ATOM 490 N N3 . G A 1 16 ? 4.080 6.520 1.598 1.00 0.00 ? 42 G A N3 1
1435
+ ATOM 491 C C4 . G A 1 16 ? 2.763 6.206 1.606 1.00 0.00 ? 42 G A C4 1
1436
+ ATOM 492 H "H5'" . G A 1 16 ? -1.589 10.821 2.189 1.00 0.00 ? 42 G A "H5'" 1
1437
+ ATOM 493 H "H5''" . G A 1 16 ? -1.475 10.775 0.419 1.00 0.00 ? 42 G A "H5''" 1
1438
+ ATOM 494 H "H4'" . G A 1 16 ? 0.710 11.067 1.809 1.00 0.00 ? 42 G A "H4'" 1
1439
+ ATOM 495 H "H3'" . G A 1 16 ? 0.493 8.952 -0.385 1.00 0.00 ? 42 G A "H3'" 1
1440
+ ATOM 496 H "H2'" . G A 1 16 ? 2.816 8.574 0.005 1.00 0.00 ? 42 G A "H2'" 1
1441
+ ATOM 497 H "HO2'" . G A 1 16 ? 2.755 10.844 1.731 1.00 0.00 ? 42 G A "HO2'" 1
1442
+ ATOM 498 H "H1'" . G A 1 16 ? 2.598 8.655 2.778 1.00 0.00 ? 42 G A "H1'" 1
1443
+ ATOM 499 H H8 . G A 1 16 ? -0.391 6.786 1.777 1.00 0.00 ? 42 G A H8 1
1444
+ ATOM 500 H H1 . G A 1 16 ? 5.014 3.396 1.290 1.00 0.00 ? 42 G A H1 1
1445
+ ATOM 501 H H21 . G A 1 16 ? 6.771 4.748 1.345 1.00 0.00 ? 42 G A H21 1
1446
+ ATOM 502 H H22 . G A 1 16 ? 6.608 6.482 1.509 1.00 0.00 ? 42 G A H22 1
1447
+ ATOM 503 P P . A A 1 17 ? 1.076 10.819 -2.243 1.00 0.00 ? 43 A A P 1
1448
+ ATOM 504 O OP1 . A A 1 17 ? 1.351 12.159 -2.807 1.00 0.00 ? 43 A A OP1 1
1449
+ ATOM 505 O OP2 . A A 1 17 ? -0.169 10.106 -2.606 1.00 0.00 ? 43 A A OP2 1
1450
+ ATOM 506 O "O5'" . A A 1 17 ? 2.320 9.864 -2.578 1.00 0.00 ? 43 A A "O5'" 1
1451
+ ATOM 507 C "C5'" . A A 1 17 ? 3.633 10.374 -2.641 1.00 0.00 ? 43 A A "C5'" 1
1452
+ ATOM 508 C "C4'" . A A 1 17 ? 4.606 9.236 -2.945 1.00 0.00 ? 43 A A "C4'" 1
1453
+ ATOM 509 O "O4'" . A A 1 17 ? 4.588 8.273 -1.909 1.00 0.00 ? 43 A A "O4'" 1
1454
+ ATOM 510 C "C3'" . A A 1 17 ? 4.292 8.497 -4.242 1.00 0.00 ? 43 A A "C3'" 1
1455
+ ATOM 511 O "O3'" . A A 1 17 ? 4.896 9.118 -5.355 1.00 0.00 ? 43 A A "O3'" 1
1456
+ ATOM 512 C "C2'" . A A 1 17 ? 4.901 7.134 -3.980 1.00 0.00 ? 43 A A "C2'" 1
1457
+ ATOM 513 O "O2'" . A A 1 17 ? 6.213 7.063 -4.489 1.00 0.00 ? 43 A A "O2'" 1
1458
+ ATOM 514 C "C1'" . A A 1 17 ? 4.908 7.010 -2.464 1.00 0.00 ? 43 A A "C1'" 1
1459
+ ATOM 515 N N9 . A A 1 17 ? 3.952 5.975 -2.092 1.00 0.00 ? 43 A A N9 1
1460
+ ATOM 516 C C8 . A A 1 17 ? 2.617 6.120 -2.129 1.00 0.00 ? 43 A A C8 1
1461
+ ATOM 517 N N7 . A A 1 17 ? 1.940 5.029 -1.904 1.00 0.00 ? 43 A A N7 1
1462
+ ATOM 518 C C5 . A A 1 17 ? 2.940 4.074 -1.713 1.00 0.00 ? 43 A A C5 1
1463
+ ATOM 519 C C6 . A A 1 17 ? 2.908 2.691 -1.471 1.00 0.00 ? 43 A A C6 1
1464
+ ATOM 520 N N6 . A A 1 17 ? 1.775 1.986 -1.349 1.00 0.00 ? 43 A A N6 1
1465
+ ATOM 521 N N1 . A A 1 17 ? 4.083 2.054 -1.365 1.00 0.00 ? 43 A A N1 1
1466
+ ATOM 522 C C2 . A A 1 17 ? 5.210 2.739 -1.498 1.00 0.00 ? 43 A A C2 1
1467
+ ATOM 523 N N3 . A A 1 17 ? 5.379 4.030 -1.737 1.00 0.00 ? 43 A A N3 1
1468
+ ATOM 524 C C4 . A A 1 17 ? 4.179 4.647 -1.833 1.00 0.00 ? 43 A A C4 1
1469
+ ATOM 525 H "H5'" . A A 1 17 ? 3.893 10.829 -1.685 1.00 0.00 ? 43 A A "H5'" 1
1470
+ ATOM 526 H "H5''" . A A 1 17 ? 3.692 11.124 -3.429 1.00 0.00 ? 43 A A "H5''" 1
1471
+ ATOM 527 H "H4'" . A A 1 17 ? 5.620 9.631 -3.018 1.00 0.00 ? 43 A A "H4'" 1
1472
+ ATOM 528 H "H3'" . A A 1 17 ? 3.224 8.367 -4.410 1.00 0.00 ? 43 A A "H3'" 1
1473
+ ATOM 529 H "HO3'" . A A 1 17 ? 5.839 9.186 -5.191 1.00 0.00 ? 43 A A "HO3'" 1
1474
+ ATOM 530 H "H2'" . A A 1 17 ? 4.232 6.370 -4.377 1.00 0.00 ? 43 A A "H2'" 1
1475
+ ATOM 531 H "HO2'" . A A 1 17 ? 6.579 6.203 -4.269 1.00 0.00 ? 43 A A "HO2'" 1
1476
+ ATOM 532 H "H1'" . A A 1 17 ? 5.847 6.681 -2.090 1.00 0.00 ? 43 A A "H1'" 1
1477
+ ATOM 533 H H8 . A A 1 17 ? 2.293 7.109 -2.371 1.00 0.00 ? 43 A A H8 1
1478
+ ATOM 534 H H61 . A A 1 17 ? 1.817 0.990 -1.184 1.00 0.00 ? 43 A A H61 1
1479
+ ATOM 535 H H62 . A A 1 17 ? 0.880 2.449 -1.427 1.00 0.00 ? 43 A A H62 1
1480
+ ATOM 536 H H2 . A A 1 17 ? 6.118 2.160 -1.403 1.00 0.00 ? 43 A A H2 1
1481
+ #
structures/1ik1.cif ADDED
@@ -0,0 +1,1349 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1IK1
2
+ #
3
+ _entry.id 1IK1
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.391
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 1IK1 pdb_00001ik1 10.2210/pdb1ik1/pdb
15
+ RCSB RCSB013352 ? ?
16
+ WWPDB D_1000013352 ? ?
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 2001-07-18
25
+ 2 'Structure model' 1 1 2008-04-27
26
+ 3 'Structure model' 1 2 2011-07-13
27
+ 4 'Structure model' 1 3 2018-01-24
28
+ 5 'Structure model' 1 4 2018-01-31
29
+ 6 'Structure model' 1 5 2024-05-01
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' 'Database references'
47
+ 4 4 'Structure model' 'Derived calculations'
48
+ 5 5 'Structure model' 'Database references'
49
+ 6 6 'Structure model' 'Data collection'
50
+ 7 6 'Structure model' 'Database references'
51
+ #
52
+ loop_
53
+ _pdbx_audit_revision_category.ordinal
54
+ _pdbx_audit_revision_category.revision_ordinal
55
+ _pdbx_audit_revision_category.data_content_type
56
+ _pdbx_audit_revision_category.category
57
+ 1 4 'Structure model' citation_author
58
+ 2 4 'Structure model' pdbx_struct_assembly
59
+ 3 4 'Structure model' pdbx_struct_oper_list
60
+ 4 5 'Structure model' citation_author
61
+ 5 6 'Structure model' chem_comp_atom
62
+ 6 6 'Structure model' chem_comp_bond
63
+ 7 6 'Structure model' database_2
64
+ 8 6 'Structure model' pdbx_nmr_software
65
+ #
66
+ loop_
67
+ _pdbx_audit_revision_item.ordinal
68
+ _pdbx_audit_revision_item.revision_ordinal
69
+ _pdbx_audit_revision_item.data_content_type
70
+ _pdbx_audit_revision_item.item
71
+ 1 4 'Structure model' '_citation_author.name'
72
+ 2 5 'Structure model' '_citation_author.name'
73
+ 3 6 'Structure model' '_database_2.pdbx_DOI'
74
+ 4 6 'Structure model' '_database_2.pdbx_database_accession'
75
+ 5 6 'Structure model' '_pdbx_nmr_software.name'
76
+ #
77
+ _pdbx_database_status.status_code REL
78
+ _pdbx_database_status.entry_id 1IK1
79
+ _pdbx_database_status.recvd_initial_deposition_date 2001-05-01
80
+ _pdbx_database_status.deposit_site RCSB
81
+ _pdbx_database_status.process_site RCSB
82
+ _pdbx_database_status.SG_entry .
83
+ _pdbx_database_status.pdb_format_compatible Y
84
+ _pdbx_database_status.status_code_mr ?
85
+ _pdbx_database_status.status_code_sf ?
86
+ _pdbx_database_status.status_code_cs ?
87
+ _pdbx_database_status.methods_development_category ?
88
+ _pdbx_database_status.status_code_nmr_data ?
89
+ #
90
+ loop_
91
+ _audit_author.name
92
+ _audit_author.pdbx_ordinal
93
+ 'Huang, H.' 1
94
+ 'Alexandrov, A.' 2
95
+ 'Chen, X.' 3
96
+ 'Barnes III, T.W.' 4
97
+ 'Zhang, H.' 5
98
+ 'Dutta, K.' 6
99
+ 'Pascal, S.M.' 7
100
+ #
101
+ _citation.id primary
102
+ _citation.title 'Structure of an RNA hairpin from HRV-14.'
103
+ _citation.journal_abbrev Biochemistry
104
+ _citation.journal_volume 40
105
+ _citation.page_first 8055
106
+ _citation.page_last 8064
107
+ _citation.year 2001
108
+ _citation.journal_id_ASTM BICHAW
109
+ _citation.country US
110
+ _citation.journal_id_ISSN 0006-2960
111
+ _citation.journal_id_CSD 0033
112
+ _citation.book_publisher ?
113
+ _citation.pdbx_database_id_PubMed 11434774
114
+ _citation.pdbx_database_id_DOI 10.1021/bi010572b
115
+ #
116
+ loop_
117
+ _citation_author.citation_id
118
+ _citation_author.name
119
+ _citation_author.ordinal
120
+ _citation_author.identifier_ORCID
121
+ primary 'Huang, H.' 1 ?
122
+ primary 'Alexandrov, A.' 2 ?
123
+ primary 'Chen, X.' 3 ?
124
+ primary 'Barnes III, T.W.' 4 ?
125
+ primary 'Zhang, H.' 5 ?
126
+ primary 'Dutta, K.' 6 ?
127
+ primary 'Pascal, S.M.' 7 ?
128
+ #
129
+ _entity.id 1
130
+ _entity.type polymer
131
+ _entity.src_method syn
132
+ _entity.pdbx_description "5'-R(*GP*GP*UP*AP*CP*UP*AP*UP*GP*UP*AP*CP*CP*A)-3'"
133
+ _entity.formula_weight 4447.691
134
+ _entity.pdbx_number_of_molecules 1
135
+ _entity.pdbx_ec ?
136
+ _entity.pdbx_mutation ?
137
+ _entity.pdbx_fragment ?
138
+ _entity.details 'HRV-14 stem loop d hairpin'
139
+ #
140
+ _entity_poly.entity_id 1
141
+ _entity_poly.type polyribonucleotide
142
+ _entity_poly.nstd_linkage no
143
+ _entity_poly.nstd_monomer no
144
+ _entity_poly.pdbx_seq_one_letter_code GGUACUAUGUACCA
145
+ _entity_poly.pdbx_seq_one_letter_code_can GGUACUAUGUACCA
146
+ _entity_poly.pdbx_strand_id A
147
+ _entity_poly.pdbx_target_identifier ?
148
+ #
149
+ loop_
150
+ _entity_poly_seq.entity_id
151
+ _entity_poly_seq.num
152
+ _entity_poly_seq.mon_id
153
+ _entity_poly_seq.hetero
154
+ 1 1 G n
155
+ 1 2 G n
156
+ 1 3 U n
157
+ 1 4 A n
158
+ 1 5 C n
159
+ 1 6 U n
160
+ 1 7 A n
161
+ 1 8 U n
162
+ 1 9 G n
163
+ 1 10 U n
164
+ 1 11 A n
165
+ 1 12 C n
166
+ 1 13 C n
167
+ 1 14 A n
168
+ #
169
+ loop_
170
+ _chem_comp.id
171
+ _chem_comp.type
172
+ _chem_comp.mon_nstd_flag
173
+ _chem_comp.name
174
+ _chem_comp.pdbx_synonyms
175
+ _chem_comp.formula
176
+ _chem_comp.formula_weight
177
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
178
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
179
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
180
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
181
+ #
182
+ loop_
183
+ _pdbx_poly_seq_scheme.asym_id
184
+ _pdbx_poly_seq_scheme.entity_id
185
+ _pdbx_poly_seq_scheme.seq_id
186
+ _pdbx_poly_seq_scheme.mon_id
187
+ _pdbx_poly_seq_scheme.ndb_seq_num
188
+ _pdbx_poly_seq_scheme.pdb_seq_num
189
+ _pdbx_poly_seq_scheme.auth_seq_num
190
+ _pdbx_poly_seq_scheme.pdb_mon_id
191
+ _pdbx_poly_seq_scheme.auth_mon_id
192
+ _pdbx_poly_seq_scheme.pdb_strand_id
193
+ _pdbx_poly_seq_scheme.pdb_ins_code
194
+ _pdbx_poly_seq_scheme.hetero
195
+ A 1 1 G 1 1 1 G G A . n
196
+ A 1 2 G 2 2 2 G G A . n
197
+ A 1 3 U 3 3 3 U U A . n
198
+ A 1 4 A 4 4 4 A A A . n
199
+ A 1 5 C 5 5 5 C C A . n
200
+ A 1 6 U 6 6 6 U U A . n
201
+ A 1 7 A 7 7 7 A A A . n
202
+ A 1 8 U 8 8 8 U U A . n
203
+ A 1 9 G 9 9 9 G G A . n
204
+ A 1 10 U 10 10 10 U U A . n
205
+ A 1 11 A 11 11 11 A A A . n
206
+ A 1 12 C 12 12 12 C C A . n
207
+ A 1 13 C 13 13 13 C C A . n
208
+ A 1 14 A 14 14 14 A A A . n
209
+ #
210
+ _cell.entry_id 1IK1
211
+ _cell.length_a ?
212
+ _cell.length_b ?
213
+ _cell.length_c ?
214
+ _cell.angle_alpha ?
215
+ _cell.angle_beta ?
216
+ _cell.angle_gamma ?
217
+ _cell.Z_PDB 1
218
+ _cell.pdbx_unique_axis ?
219
+ #
220
+ _exptl.entry_id 1IK1
221
+ _exptl.method 'SOLUTION NMR'
222
+ _exptl.crystals_number ?
223
+ #
224
+ _database_PDB_matrix.entry_id 1IK1
225
+ _database_PDB_matrix.origx[1][1] 1.000000
226
+ _database_PDB_matrix.origx[1][2] 0.000000
227
+ _database_PDB_matrix.origx[1][3] 0.000000
228
+ _database_PDB_matrix.origx[2][1] 0.000000
229
+ _database_PDB_matrix.origx[2][2] 1.000000
230
+ _database_PDB_matrix.origx[2][3] 0.000000
231
+ _database_PDB_matrix.origx[3][1] 0.000000
232
+ _database_PDB_matrix.origx[3][2] 0.000000
233
+ _database_PDB_matrix.origx[3][3] 1.000000
234
+ _database_PDB_matrix.origx_vector[1] 0.00000
235
+ _database_PDB_matrix.origx_vector[2] 0.00000
236
+ _database_PDB_matrix.origx_vector[3] 0.00000
237
+ #
238
+ _struct.entry_id 1IK1
239
+ _struct.title 'Solution Structure of an RNA Hairpin from HRV-14'
240
+ _struct.pdbx_model_details ?
241
+ _struct.pdbx_CASP_flag ?
242
+ _struct.pdbx_model_type_details ?
243
+ #
244
+ _struct_keywords.entry_id 1IK1
245
+ _struct_keywords.pdbx_keywords RNA
246
+ _struct_keywords.text 'A form helix, triloop, RNA'
247
+ #
248
+ _struct_asym.id A
249
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
250
+ _struct_asym.pdbx_modified N
251
+ _struct_asym.entity_id 1
252
+ _struct_asym.details ?
253
+ #
254
+ _struct_ref.id 1
255
+ _struct_ref.db_name GB
256
+ _struct_ref.db_code NC_001490
257
+ _struct_ref.entity_id 1
258
+ _struct_ref.pdbx_seq_one_letter_code GGUACUAUGUACC
259
+ _struct_ref.pdbx_align_begin 53
260
+ _struct_ref.pdbx_db_accession 9626735
261
+ _struct_ref.pdbx_db_isoform ?
262
+ #
263
+ _struct_ref_seq.align_id 1
264
+ _struct_ref_seq.ref_id 1
265
+ _struct_ref_seq.pdbx_PDB_id_code 1IK1
266
+ _struct_ref_seq.pdbx_strand_id A
267
+ _struct_ref_seq.seq_align_beg 1
268
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
269
+ _struct_ref_seq.seq_align_end 13
270
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
271
+ _struct_ref_seq.pdbx_db_accession 9626735
272
+ _struct_ref_seq.db_align_beg 53
273
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
274
+ _struct_ref_seq.db_align_end 65
275
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
276
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
277
+ _struct_ref_seq.pdbx_auth_seq_align_end 13
278
+ #
279
+ _pdbx_struct_assembly.id 1
280
+ _pdbx_struct_assembly.details author_defined_assembly
281
+ _pdbx_struct_assembly.method_details ?
282
+ _pdbx_struct_assembly.oligomeric_details monomeric
283
+ _pdbx_struct_assembly.oligomeric_count 1
284
+ #
285
+ _pdbx_struct_assembly_gen.assembly_id 1
286
+ _pdbx_struct_assembly_gen.oper_expression 1
287
+ _pdbx_struct_assembly_gen.asym_id_list A
288
+ #
289
+ _pdbx_struct_oper_list.id 1
290
+ _pdbx_struct_oper_list.type 'identity operation'
291
+ _pdbx_struct_oper_list.name 1_555
292
+ _pdbx_struct_oper_list.symmetry_operation ?
293
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
294
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
295
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
296
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
297
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
298
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
299
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
300
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
301
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
302
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
303
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
304
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
305
+ #
306
+ _struct_biol.id 1
307
+ #
308
+ loop_
309
+ _struct_conn.id
310
+ _struct_conn.conn_type_id
311
+ _struct_conn.pdbx_leaving_atom_flag
312
+ _struct_conn.pdbx_PDB_id
313
+ _struct_conn.ptnr1_label_asym_id
314
+ _struct_conn.ptnr1_label_comp_id
315
+ _struct_conn.ptnr1_label_seq_id
316
+ _struct_conn.ptnr1_label_atom_id
317
+ _struct_conn.pdbx_ptnr1_label_alt_id
318
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
319
+ _struct_conn.pdbx_ptnr1_standard_comp_id
320
+ _struct_conn.ptnr1_symmetry
321
+ _struct_conn.ptnr2_label_asym_id
322
+ _struct_conn.ptnr2_label_comp_id
323
+ _struct_conn.ptnr2_label_seq_id
324
+ _struct_conn.ptnr2_label_atom_id
325
+ _struct_conn.pdbx_ptnr2_label_alt_id
326
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
327
+ _struct_conn.ptnr1_auth_asym_id
328
+ _struct_conn.ptnr1_auth_comp_id
329
+ _struct_conn.ptnr1_auth_seq_id
330
+ _struct_conn.ptnr2_auth_asym_id
331
+ _struct_conn.ptnr2_auth_comp_id
332
+ _struct_conn.ptnr2_auth_seq_id
333
+ _struct_conn.ptnr2_symmetry
334
+ _struct_conn.pdbx_ptnr3_label_atom_id
335
+ _struct_conn.pdbx_ptnr3_label_seq_id
336
+ _struct_conn.pdbx_ptnr3_label_comp_id
337
+ _struct_conn.pdbx_ptnr3_label_asym_id
338
+ _struct_conn.pdbx_ptnr3_label_alt_id
339
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
340
+ _struct_conn.details
341
+ _struct_conn.pdbx_dist_value
342
+ _struct_conn.pdbx_value_order
343
+ _struct_conn.pdbx_role
344
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 13 N3 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
345
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 13 O2 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
346
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 13 N4 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
347
+ hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
348
+ hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
349
+ hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
350
+ hydrog7 hydrog ? ? A U 3 N3 ? ? ? 1_555 A A 11 N1 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
351
+ hydrog8 hydrog ? ? A U 3 O4 ? ? ? 1_555 A A 11 N6 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
352
+ hydrog9 hydrog ? ? A A 4 N1 ? ? ? 1_555 A U 10 N3 ? ? A A 4 A U 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
353
+ hydrog10 hydrog ? ? A A 4 N6 ? ? ? 1_555 A U 10 O4 ? ? A A 4 A U 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
354
+ hydrog11 hydrog ? ? A C 5 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
355
+ hydrog12 hydrog ? ? A C 5 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
356
+ hydrog13 hydrog ? ? A C 5 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
357
+ #
358
+ _struct_conn_type.id hydrog
359
+ _struct_conn_type.criteria ?
360
+ _struct_conn_type.reference ?
361
+ #
362
+ _pdbx_validate_rmsd_angle.id 1
363
+ _pdbx_validate_rmsd_angle.PDB_model_num 1
364
+ _pdbx_validate_rmsd_angle.auth_atom_id_1 "C5'"
365
+ _pdbx_validate_rmsd_angle.auth_asym_id_1 A
366
+ _pdbx_validate_rmsd_angle.auth_comp_id_1 C
367
+ _pdbx_validate_rmsd_angle.auth_seq_id_1 5
368
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
369
+ _pdbx_validate_rmsd_angle.label_alt_id_1 ?
370
+ _pdbx_validate_rmsd_angle.auth_atom_id_2 "C4'"
371
+ _pdbx_validate_rmsd_angle.auth_asym_id_2 A
372
+ _pdbx_validate_rmsd_angle.auth_comp_id_2 C
373
+ _pdbx_validate_rmsd_angle.auth_seq_id_2 5
374
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
375
+ _pdbx_validate_rmsd_angle.label_alt_id_2 ?
376
+ _pdbx_validate_rmsd_angle.auth_atom_id_3 "O4'"
377
+ _pdbx_validate_rmsd_angle.auth_asym_id_3 A
378
+ _pdbx_validate_rmsd_angle.auth_comp_id_3 C
379
+ _pdbx_validate_rmsd_angle.auth_seq_id_3 5
380
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
381
+ _pdbx_validate_rmsd_angle.label_alt_id_3 ?
382
+ _pdbx_validate_rmsd_angle.angle_value 116.39
383
+ _pdbx_validate_rmsd_angle.angle_target_value 109.80
384
+ _pdbx_validate_rmsd_angle.angle_deviation 6.59
385
+ _pdbx_validate_rmsd_angle.angle_standard_deviation 0.90
386
+ _pdbx_validate_rmsd_angle.linker_flag N
387
+ #
388
+ _pdbx_validate_planes.id 1
389
+ _pdbx_validate_planes.PDB_model_num 1
390
+ _pdbx_validate_planes.auth_comp_id A
391
+ _pdbx_validate_planes.auth_asym_id A
392
+ _pdbx_validate_planes.auth_seq_id 7
393
+ _pdbx_validate_planes.PDB_ins_code ?
394
+ _pdbx_validate_planes.label_alt_id ?
395
+ _pdbx_validate_planes.rmsd 0.083
396
+ _pdbx_validate_planes.type 'SIDE CHAIN'
397
+ #
398
+ _pdbx_nmr_ensemble.entry_id 1IK1
399
+ _pdbx_nmr_ensemble.conformers_calculated_total_number ?
400
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
401
+ _pdbx_nmr_ensemble.conformer_selection_criteria ?
402
+ #
403
+ loop_
404
+ _pdbx_nmr_sample_details.solution_id
405
+ _pdbx_nmr_sample_details.contents
406
+ _pdbx_nmr_sample_details.solvent_system
407
+ 1 '1.5 mM RNA 14mer; 10 mM NaPi, 90 mM NaCl, 0.1 mM EDTA, pH 7.0' '100% D2O'
408
+ 2 '0.5 mM RNA 14mer; 10 mM NaPi, 90 mM NaCl, 0.1 mM EDTA, pH 7.0' '90% H2O/10% D2O'
409
+ #
410
+ loop_
411
+ _pdbx_nmr_exptl_sample_conditions.conditions_id
412
+ _pdbx_nmr_exptl_sample_conditions.temperature
413
+ _pdbx_nmr_exptl_sample_conditions.pressure
414
+ _pdbx_nmr_exptl_sample_conditions.pH
415
+ _pdbx_nmr_exptl_sample_conditions.ionic_strength
416
+ _pdbx_nmr_exptl_sample_conditions.pressure_units
417
+ _pdbx_nmr_exptl_sample_conditions.temperature_units
418
+ 1 298 ambient 7.0 '100 mM' ? K
419
+ 2 273 ambient 7.0 '100 mM' ? K
420
+ #
421
+ loop_
422
+ _pdbx_nmr_exptl.experiment_id
423
+ _pdbx_nmr_exptl.solution_id
424
+ _pdbx_nmr_exptl.conditions_id
425
+ _pdbx_nmr_exptl.type
426
+ 1 1 1 '2D NOESY'
427
+ 2 1 1 DQF-COSY
428
+ 3 1 1 TOCSY
429
+ 4 1 1 1H,31P-Hetcor
430
+ 5 1 1 1H,13C-HMQC
431
+ 6 2 2 '2D NOESY'
432
+ #
433
+ _pdbx_nmr_refine.entry_id 1IK1
434
+ _pdbx_nmr_refine.method 'simulated annealing'
435
+ _pdbx_nmr_refine.details 'A total of 172 distance restraints and 40 dihedral angle restraints.'
436
+ _pdbx_nmr_refine.software_ordinal 1
437
+ #
438
+ loop_
439
+ _pdbx_nmr_software.name
440
+ _pdbx_nmr_software.version
441
+ _pdbx_nmr_software.classification
442
+ _pdbx_nmr_software.authors
443
+ _pdbx_nmr_software.ordinal
444
+ VNMR ? collection ? 1
445
+ NMRPipe ? processing ? 2
446
+ NMRDraw ? 'data analysis' ? 3
447
+ NMRView ? 'data analysis' ? 4
448
+ Discover ? 'structure solution' ? 5
449
+ Discover ? refinement ? 6
450
+ #
451
+ loop_
452
+ _chem_comp_atom.comp_id
453
+ _chem_comp_atom.atom_id
454
+ _chem_comp_atom.type_symbol
455
+ _chem_comp_atom.pdbx_aromatic_flag
456
+ _chem_comp_atom.pdbx_stereo_config
457
+ _chem_comp_atom.pdbx_ordinal
458
+ A OP3 O N N 1
459
+ A P P N N 2
460
+ A OP1 O N N 3
461
+ A OP2 O N N 4
462
+ A "O5'" O N N 5
463
+ A "C5'" C N N 6
464
+ A "C4'" C N R 7
465
+ A "O4'" O N N 8
466
+ A "C3'" C N S 9
467
+ A "O3'" O N N 10
468
+ A "C2'" C N R 11
469
+ A "O2'" O N N 12
470
+ A "C1'" C N R 13
471
+ A N9 N Y N 14
472
+ A C8 C Y N 15
473
+ A N7 N Y N 16
474
+ A C5 C Y N 17
475
+ A C6 C Y N 18
476
+ A N6 N N N 19
477
+ A N1 N Y N 20
478
+ A C2 C Y N 21
479
+ A N3 N Y N 22
480
+ A C4 C Y N 23
481
+ A HOP3 H N N 24
482
+ A HOP2 H N N 25
483
+ A "H5'" H N N 26
484
+ A "H5''" H N N 27
485
+ A "H4'" H N N 28
486
+ A "H3'" H N N 29
487
+ A "HO3'" H N N 30
488
+ A "H2'" H N N 31
489
+ A "HO2'" H N N 32
490
+ A "H1'" H N N 33
491
+ A H8 H N N 34
492
+ A H61 H N N 35
493
+ A H62 H N N 36
494
+ A H2 H N N 37
495
+ C OP3 O N N 38
496
+ C P P N N 39
497
+ C OP1 O N N 40
498
+ C OP2 O N N 41
499
+ C "O5'" O N N 42
500
+ C "C5'" C N N 43
501
+ C "C4'" C N R 44
502
+ C "O4'" O N N 45
503
+ C "C3'" C N S 46
504
+ C "O3'" O N N 47
505
+ C "C2'" C N R 48
506
+ C "O2'" O N N 49
507
+ C "C1'" C N R 50
508
+ C N1 N N N 51
509
+ C C2 C N N 52
510
+ C O2 O N N 53
511
+ C N3 N N N 54
512
+ C C4 C N N 55
513
+ C N4 N N N 56
514
+ C C5 C N N 57
515
+ C C6 C N N 58
516
+ C HOP3 H N N 59
517
+ C HOP2 H N N 60
518
+ C "H5'" H N N 61
519
+ C "H5''" H N N 62
520
+ C "H4'" H N N 63
521
+ C "H3'" H N N 64
522
+ C "HO3'" H N N 65
523
+ C "H2'" H N N 66
524
+ C "HO2'" H N N 67
525
+ C "H1'" H N N 68
526
+ C H41 H N N 69
527
+ C H42 H N N 70
528
+ C H5 H N N 71
529
+ C H6 H N N 72
530
+ G OP3 O N N 73
531
+ G P P N N 74
532
+ G OP1 O N N 75
533
+ G OP2 O N N 76
534
+ G "O5'" O N N 77
535
+ G "C5'" C N N 78
536
+ G "C4'" C N R 79
537
+ G "O4'" O N N 80
538
+ G "C3'" C N S 81
539
+ G "O3'" O N N 82
540
+ G "C2'" C N R 83
541
+ G "O2'" O N N 84
542
+ G "C1'" C N R 85
543
+ G N9 N Y N 86
544
+ G C8 C Y N 87
545
+ G N7 N Y N 88
546
+ G C5 C Y N 89
547
+ G C6 C N N 90
548
+ G O6 O N N 91
549
+ G N1 N N N 92
550
+ G C2 C N N 93
551
+ G N2 N N N 94
552
+ G N3 N N N 95
553
+ G C4 C Y N 96
554
+ G HOP3 H N N 97
555
+ G HOP2 H N N 98
556
+ G "H5'" H N N 99
557
+ G "H5''" H N N 100
558
+ G "H4'" H N N 101
559
+ G "H3'" H N N 102
560
+ G "HO3'" H N N 103
561
+ G "H2'" H N N 104
562
+ G "HO2'" H N N 105
563
+ G "H1'" H N N 106
564
+ G H8 H N N 107
565
+ G H1 H N N 108
566
+ G H21 H N N 109
567
+ G H22 H N N 110
568
+ U OP3 O N N 111
569
+ U P P N N 112
570
+ U OP1 O N N 113
571
+ U OP2 O N N 114
572
+ U "O5'" O N N 115
573
+ U "C5'" C N N 116
574
+ U "C4'" C N R 117
575
+ U "O4'" O N N 118
576
+ U "C3'" C N S 119
577
+ U "O3'" O N N 120
578
+ U "C2'" C N R 121
579
+ U "O2'" O N N 122
580
+ U "C1'" C N R 123
581
+ U N1 N N N 124
582
+ U C2 C N N 125
583
+ U O2 O N N 126
584
+ U N3 N N N 127
585
+ U C4 C N N 128
586
+ U O4 O N N 129
587
+ U C5 C N N 130
588
+ U C6 C N N 131
589
+ U HOP3 H N N 132
590
+ U HOP2 H N N 133
591
+ U "H5'" H N N 134
592
+ U "H5''" H N N 135
593
+ U "H4'" H N N 136
594
+ U "H3'" H N N 137
595
+ U "HO3'" H N N 138
596
+ U "H2'" H N N 139
597
+ U "HO2'" H N N 140
598
+ U "H1'" H N N 141
599
+ U H3 H N N 142
600
+ U H5 H N N 143
601
+ U H6 H N N 144
602
+ #
603
+ loop_
604
+ _chem_comp_bond.comp_id
605
+ _chem_comp_bond.atom_id_1
606
+ _chem_comp_bond.atom_id_2
607
+ _chem_comp_bond.value_order
608
+ _chem_comp_bond.pdbx_aromatic_flag
609
+ _chem_comp_bond.pdbx_stereo_config
610
+ _chem_comp_bond.pdbx_ordinal
611
+ A OP3 P sing N N 1
612
+ A OP3 HOP3 sing N N 2
613
+ A P OP1 doub N N 3
614
+ A P OP2 sing N N 4
615
+ A P "O5'" sing N N 5
616
+ A OP2 HOP2 sing N N 6
617
+ A "O5'" "C5'" sing N N 7
618
+ A "C5'" "C4'" sing N N 8
619
+ A "C5'" "H5'" sing N N 9
620
+ A "C5'" "H5''" sing N N 10
621
+ A "C4'" "O4'" sing N N 11
622
+ A "C4'" "C3'" sing N N 12
623
+ A "C4'" "H4'" sing N N 13
624
+ A "O4'" "C1'" sing N N 14
625
+ A "C3'" "O3'" sing N N 15
626
+ A "C3'" "C2'" sing N N 16
627
+ A "C3'" "H3'" sing N N 17
628
+ A "O3'" "HO3'" sing N N 18
629
+ A "C2'" "O2'" sing N N 19
630
+ A "C2'" "C1'" sing N N 20
631
+ A "C2'" "H2'" sing N N 21
632
+ A "O2'" "HO2'" sing N N 22
633
+ A "C1'" N9 sing N N 23
634
+ A "C1'" "H1'" sing N N 24
635
+ A N9 C8 sing Y N 25
636
+ A N9 C4 sing Y N 26
637
+ A C8 N7 doub Y N 27
638
+ A C8 H8 sing N N 28
639
+ A N7 C5 sing Y N 29
640
+ A C5 C6 sing Y N 30
641
+ A C5 C4 doub Y N 31
642
+ A C6 N6 sing N N 32
643
+ A C6 N1 doub Y N 33
644
+ A N6 H61 sing N N 34
645
+ A N6 H62 sing N N 35
646
+ A N1 C2 sing Y N 36
647
+ A C2 N3 doub Y N 37
648
+ A C2 H2 sing N N 38
649
+ A N3 C4 sing Y N 39
650
+ C OP3 P sing N N 40
651
+ C OP3 HOP3 sing N N 41
652
+ C P OP1 doub N N 42
653
+ C P OP2 sing N N 43
654
+ C P "O5'" sing N N 44
655
+ C OP2 HOP2 sing N N 45
656
+ C "O5'" "C5'" sing N N 46
657
+ C "C5'" "C4'" sing N N 47
658
+ C "C5'" "H5'" sing N N 48
659
+ C "C5'" "H5''" sing N N 49
660
+ C "C4'" "O4'" sing N N 50
661
+ C "C4'" "C3'" sing N N 51
662
+ C "C4'" "H4'" sing N N 52
663
+ C "O4'" "C1'" sing N N 53
664
+ C "C3'" "O3'" sing N N 54
665
+ C "C3'" "C2'" sing N N 55
666
+ C "C3'" "H3'" sing N N 56
667
+ C "O3'" "HO3'" sing N N 57
668
+ C "C2'" "O2'" sing N N 58
669
+ C "C2'" "C1'" sing N N 59
670
+ C "C2'" "H2'" sing N N 60
671
+ C "O2'" "HO2'" sing N N 61
672
+ C "C1'" N1 sing N N 62
673
+ C "C1'" "H1'" sing N N 63
674
+ C N1 C2 sing N N 64
675
+ C N1 C6 sing N N 65
676
+ C C2 O2 doub N N 66
677
+ C C2 N3 sing N N 67
678
+ C N3 C4 doub N N 68
679
+ C C4 N4 sing N N 69
680
+ C C4 C5 sing N N 70
681
+ C N4 H41 sing N N 71
682
+ C N4 H42 sing N N 72
683
+ C C5 C6 doub N N 73
684
+ C C5 H5 sing N N 74
685
+ C C6 H6 sing N N 75
686
+ G OP3 P sing N N 76
687
+ G OP3 HOP3 sing N N 77
688
+ G P OP1 doub N N 78
689
+ G P OP2 sing N N 79
690
+ G P "O5'" sing N N 80
691
+ G OP2 HOP2 sing N N 81
692
+ G "O5'" "C5'" sing N N 82
693
+ G "C5'" "C4'" sing N N 83
694
+ G "C5'" "H5'" sing N N 84
695
+ G "C5'" "H5''" sing N N 85
696
+ G "C4'" "O4'" sing N N 86
697
+ G "C4'" "C3'" sing N N 87
698
+ G "C4'" "H4'" sing N N 88
699
+ G "O4'" "C1'" sing N N 89
700
+ G "C3'" "O3'" sing N N 90
701
+ G "C3'" "C2'" sing N N 91
702
+ G "C3'" "H3'" sing N N 92
703
+ G "O3'" "HO3'" sing N N 93
704
+ G "C2'" "O2'" sing N N 94
705
+ G "C2'" "C1'" sing N N 95
706
+ G "C2'" "H2'" sing N N 96
707
+ G "O2'" "HO2'" sing N N 97
708
+ G "C1'" N9 sing N N 98
709
+ G "C1'" "H1'" sing N N 99
710
+ G N9 C8 sing Y N 100
711
+ G N9 C4 sing Y N 101
712
+ G C8 N7 doub Y N 102
713
+ G C8 H8 sing N N 103
714
+ G N7 C5 sing Y N 104
715
+ G C5 C6 sing N N 105
716
+ G C5 C4 doub Y N 106
717
+ G C6 O6 doub N N 107
718
+ G C6 N1 sing N N 108
719
+ G N1 C2 sing N N 109
720
+ G N1 H1 sing N N 110
721
+ G C2 N2 sing N N 111
722
+ G C2 N3 doub N N 112
723
+ G N2 H21 sing N N 113
724
+ G N2 H22 sing N N 114
725
+ G N3 C4 sing N N 115
726
+ U OP3 P sing N N 116
727
+ U OP3 HOP3 sing N N 117
728
+ U P OP1 doub N N 118
729
+ U P OP2 sing N N 119
730
+ U P "O5'" sing N N 120
731
+ U OP2 HOP2 sing N N 121
732
+ U "O5'" "C5'" sing N N 122
733
+ U "C5'" "C4'" sing N N 123
734
+ U "C5'" "H5'" sing N N 124
735
+ U "C5'" "H5''" sing N N 125
736
+ U "C4'" "O4'" sing N N 126
737
+ U "C4'" "C3'" sing N N 127
738
+ U "C4'" "H4'" sing N N 128
739
+ U "O4'" "C1'" sing N N 129
740
+ U "C3'" "O3'" sing N N 130
741
+ U "C3'" "C2'" sing N N 131
742
+ U "C3'" "H3'" sing N N 132
743
+ U "O3'" "HO3'" sing N N 133
744
+ U "C2'" "O2'" sing N N 134
745
+ U "C2'" "C1'" sing N N 135
746
+ U "C2'" "H2'" sing N N 136
747
+ U "O2'" "HO2'" sing N N 137
748
+ U "C1'" N1 sing N N 138
749
+ U "C1'" "H1'" sing N N 139
750
+ U N1 C2 sing N N 140
751
+ U N1 C6 sing N N 141
752
+ U C2 O2 doub N N 142
753
+ U C2 N3 sing N N 143
754
+ U N3 C4 sing N N 144
755
+ U N3 H3 sing N N 145
756
+ U C4 O4 doub N N 146
757
+ U C4 C5 sing N N 147
758
+ U C5 C6 doub N N 148
759
+ U C5 H5 sing N N 149
760
+ U C6 H6 sing N N 150
761
+ #
762
+ loop_
763
+ _ndb_struct_conf_na.entry_id
764
+ _ndb_struct_conf_na.feature
765
+ 1IK1 'a-form double helix'
766
+ 1IK1 'hairpin loop'
767
+ #
768
+ loop_
769
+ _ndb_struct_na_base_pair.model_number
770
+ _ndb_struct_na_base_pair.i_label_asym_id
771
+ _ndb_struct_na_base_pair.i_label_comp_id
772
+ _ndb_struct_na_base_pair.i_label_seq_id
773
+ _ndb_struct_na_base_pair.i_symmetry
774
+ _ndb_struct_na_base_pair.j_label_asym_id
775
+ _ndb_struct_na_base_pair.j_label_comp_id
776
+ _ndb_struct_na_base_pair.j_label_seq_id
777
+ _ndb_struct_na_base_pair.j_symmetry
778
+ _ndb_struct_na_base_pair.shear
779
+ _ndb_struct_na_base_pair.stretch
780
+ _ndb_struct_na_base_pair.stagger
781
+ _ndb_struct_na_base_pair.buckle
782
+ _ndb_struct_na_base_pair.propeller
783
+ _ndb_struct_na_base_pair.opening
784
+ _ndb_struct_na_base_pair.pair_number
785
+ _ndb_struct_na_base_pair.pair_name
786
+ _ndb_struct_na_base_pair.i_auth_asym_id
787
+ _ndb_struct_na_base_pair.i_auth_seq_id
788
+ _ndb_struct_na_base_pair.i_PDB_ins_code
789
+ _ndb_struct_na_base_pair.j_auth_asym_id
790
+ _ndb_struct_na_base_pair.j_auth_seq_id
791
+ _ndb_struct_na_base_pair.j_PDB_ins_code
792
+ _ndb_struct_na_base_pair.hbond_type_28
793
+ _ndb_struct_na_base_pair.hbond_type_12
794
+ 1 A G 1 1_555 A C 13 1_555 -0.463 -0.128 0.172 -5.777 -9.169 -2.488 1 A_G1:C13_A A 1 ? A 13 ? 19 1
795
+ 1 A G 2 1_555 A C 12 1_555 -0.599 -0.162 -0.119 -5.378 -20.752 0.679 2 A_G2:C12_A A 2 ? A 12 ? 19 1
796
+ 1 A U 3 1_555 A A 11 1_555 -0.045 -0.067 -0.203 2.449 -26.688 1.994 3 A_U3:A11_A A 3 ? A 11 ? 20 1
797
+ 1 A A 4 1_555 A U 10 1_555 0.070 -0.050 0.301 -1.067 -16.004 -1.983 4 A_A4:U10_A A 4 ? A 10 ? 20 1
798
+ 1 A C 5 1_555 A G 9 1_555 0.578 -0.170 0.113 15.334 -12.957 -3.510 5 A_C5:G9_A A 5 ? A 9 ? 19 1
799
+ #
800
+ loop_
801
+ _ndb_struct_na_base_pair_step.model_number
802
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
803
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
804
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
805
+ _ndb_struct_na_base_pair_step.i_symmetry_1
806
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
807
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
808
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
809
+ _ndb_struct_na_base_pair_step.j_symmetry_1
810
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
811
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
812
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
813
+ _ndb_struct_na_base_pair_step.i_symmetry_2
814
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
815
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
816
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
817
+ _ndb_struct_na_base_pair_step.j_symmetry_2
818
+ _ndb_struct_na_base_pair_step.shift
819
+ _ndb_struct_na_base_pair_step.slide
820
+ _ndb_struct_na_base_pair_step.rise
821
+ _ndb_struct_na_base_pair_step.tilt
822
+ _ndb_struct_na_base_pair_step.roll
823
+ _ndb_struct_na_base_pair_step.twist
824
+ _ndb_struct_na_base_pair_step.x_displacement
825
+ _ndb_struct_na_base_pair_step.y_displacement
826
+ _ndb_struct_na_base_pair_step.helical_rise
827
+ _ndb_struct_na_base_pair_step.inclination
828
+ _ndb_struct_na_base_pair_step.tip
829
+ _ndb_struct_na_base_pair_step.helical_twist
830
+ _ndb_struct_na_base_pair_step.step_number
831
+ _ndb_struct_na_base_pair_step.step_name
832
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
833
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
834
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
835
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
836
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
837
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
838
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
839
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
840
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
841
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
842
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
843
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
844
+ 1 A G 1 1_555 A C 13 1_555 A G 2 1_555 A C 12 1_555 0.071 -1.873 3.137 1.623 9.763 28.176 -5.402 0.155 2.370 19.315 -3.211
845
+ 29.831 1 AA_G1G2:C12C13_AA A 1 ? A 13 ? A 2 ? A 12 ?
846
+ 1 A G 2 1_555 A C 12 1_555 A U 3 1_555 A A 11 1_555 0.098 -1.201 2.949 1.897 4.712 34.894 -2.597 0.086 2.770 7.806 -3.143
847
+ 35.250 2 AA_G2U3:A11C12_AA A 2 ? A 12 ? A 3 ? A 11 ?
848
+ 1 A U 3 1_555 A A 11 1_555 A A 4 1_555 A U 10 1_555 -0.012 -1.608 3.076 -2.333 22.285 31.050 -4.706 -0.216 1.605 36.302 3.801
849
+ 38.128 3 AA_U3A4:U10A11_AA A 3 ? A 11 ? A 4 ? A 10 ?
850
+ 1 A A 4 1_555 A U 10 1_555 A C 5 1_555 A G 9 1_555 -0.251 -1.247 2.854 -1.739 1.287 33.657 -2.330 0.188 2.815 2.219 3.000
851
+ 33.725 4 AA_A4C5:G9U10_AA A 4 ? A 10 ? A 5 ? A 9 ?
852
+ #
853
+ _pdbx_nmr_spectrometer.spectrometer_id 1
854
+ _pdbx_nmr_spectrometer.type ?
855
+ _pdbx_nmr_spectrometer.manufacturer Varian
856
+ _pdbx_nmr_spectrometer.model INOVA
857
+ _pdbx_nmr_spectrometer.field_strength 600
858
+ #
859
+ _atom_sites.entry_id 1IK1
860
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
861
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
862
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
863
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
864
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
865
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
866
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
867
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
868
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
869
+ _atom_sites.fract_transf_vector[1] 0.00000
870
+ _atom_sites.fract_transf_vector[2] 0.00000
871
+ _atom_sites.fract_transf_vector[3] 0.00000
872
+ #
873
+ loop_
874
+ _atom_type.symbol
875
+ C
876
+ H
877
+ N
878
+ O
879
+ P
880
+ #
881
+ loop_
882
+ _atom_site.group_PDB
883
+ _atom_site.id
884
+ _atom_site.type_symbol
885
+ _atom_site.label_atom_id
886
+ _atom_site.label_alt_id
887
+ _atom_site.label_comp_id
888
+ _atom_site.label_asym_id
889
+ _atom_site.label_entity_id
890
+ _atom_site.label_seq_id
891
+ _atom_site.pdbx_PDB_ins_code
892
+ _atom_site.Cartn_x
893
+ _atom_site.Cartn_y
894
+ _atom_site.Cartn_z
895
+ _atom_site.occupancy
896
+ _atom_site.B_iso_or_equiv
897
+ _atom_site.pdbx_formal_charge
898
+ _atom_site.auth_seq_id
899
+ _atom_site.auth_comp_id
900
+ _atom_site.auth_asym_id
901
+ _atom_site.auth_atom_id
902
+ _atom_site.pdbx_PDB_model_num
903
+ ATOM 1 O "O5'" . G A 1 1 ? 9.134 -3.406 5.909 1.00 0.00 ? 1 G A "O5'" 1
904
+ ATOM 2 C "C5'" . G A 1 1 ? 10.486 -3.111 5.626 1.00 0.00 ? 1 G A "C5'" 1
905
+ ATOM 3 C "C4'" . G A 1 1 ? 10.641 -1.650 5.186 1.00 0.00 ? 1 G A "C4'" 1
906
+ ATOM 4 O "O4'" . G A 1 1 ? 9.941 -1.400 3.977 1.00 0.00 ? 1 G A "O4'" 1
907
+ ATOM 5 C "C3'" . G A 1 1 ? 10.107 -0.649 6.216 1.00 0.00 ? 1 G A "C3'" 1
908
+ ATOM 6 O "O3'" . G A 1 1 ? 11.047 -0.404 7.255 1.00 0.00 ? 1 G A "O3'" 1
909
+ ATOM 7 C "C2'" . G A 1 1 ? 9.876 0.560 5.314 1.00 0.00 ? 1 G A "C2'" 1
910
+ ATOM 8 O "O2'" . G A 1 1 ? 11.094 1.226 5.038 1.00 0.00 ? 1 G A "O2'" 1
911
+ ATOM 9 C "C1'" . G A 1 1 ? 9.358 -0.107 4.031 1.00 0.00 ? 1 G A "C1'" 1
912
+ ATOM 10 N N9 . G A 1 1 ? 7.874 -0.200 4.037 1.00 0.00 ? 1 G A N9 1
913
+ ATOM 11 C C8 . G A 1 1 ? 7.055 -1.292 4.201 1.00 0.00 ? 1 G A C8 1
914
+ ATOM 12 N N7 . G A 1 1 ? 5.781 -1.030 4.109 1.00 0.00 ? 1 G A N7 1
915
+ ATOM 13 C C5 . G A 1 1 ? 5.739 0.335 3.865 1.00 0.00 ? 1 G A C5 1
916
+ ATOM 14 C C6 . G A 1 1 ? 4.621 1.205 3.660 1.00 0.00 ? 1 G A C6 1
917
+ ATOM 15 O O6 . G A 1 1 ? 3.429 0.904 3.673 1.00 0.00 ? 1 G A O6 1
918
+ ATOM 16 N N1 . G A 1 1 ? 4.995 2.535 3.426 1.00 0.00 ? 1 G A N1 1
919
+ ATOM 17 C C2 . G A 1 1 ? 6.317 2.979 3.406 1.00 0.00 ? 1 G A C2 1
920
+ ATOM 18 N N2 . G A 1 1 ? 6.529 4.278 3.178 1.00 0.00 ? 1 G A N2 1
921
+ ATOM 19 N N3 . G A 1 1 ? 7.367 2.156 3.604 1.00 0.00 ? 1 G A N3 1
922
+ ATOM 20 C C4 . G A 1 1 ? 7.020 0.854 3.823 1.00 0.00 ? 1 G A C4 1
923
+ ATOM 21 H "H5'" . G A 1 1 ? 10.842 -3.774 4.836 1.00 0.00 ? 1 G A "H5'" 1
924
+ ATOM 22 H "H5''" . G A 1 1 ? 11.079 -3.280 6.525 1.00 0.00 ? 1 G A "H5''" 1
925
+ ATOM 23 H "H4'" . G A 1 1 ? 11.697 -1.445 4.995 1.00 0.00 ? 1 G A "H4'" 1
926
+ ATOM 24 H "H3'" . G A 1 1 ? 9.148 -0.995 6.610 1.00 0.00 ? 1 G A "H3'" 1
927
+ ATOM 25 H "H2'" . G A 1 1 ? 9.163 1.259 5.747 1.00 0.00 ? 1 G A "H2'" 1
928
+ ATOM 26 H "HO2'" . G A 1 1 ? 11.776 0.853 5.603 1.00 0.00 ? 1 G A "HO2'" 1
929
+ ATOM 27 H "H1'" . G A 1 1 ? 9.659 0.462 3.149 1.00 0.00 ? 1 G A "H1'" 1
930
+ ATOM 28 H H8 . G A 1 1 ? 7.419 -2.292 4.377 1.00 0.00 ? 1 G A H8 1
931
+ ATOM 29 H H1 . G A 1 1 ? 4.255 3.201 3.263 1.00 0.00 ? 1 G A H1 1
932
+ ATOM 30 H H21 . G A 1 1 ? 5.749 4.902 3.038 1.00 0.00 ? 1 G A H21 1
933
+ ATOM 31 H H22 . G A 1 1 ? 7.472 4.638 3.155 1.00 0.00 ? 1 G A H22 1
934
+ ATOM 32 H "HO5'" . G A 1 1 ? 9.075 -4.295 6.266 1.00 0.00 ? 1 G A "HO5'" 1
935
+ ATOM 33 P P . G A 1 2 ? 10.623 0.217 8.691 1.00 0.00 ? 2 G A P 1
936
+ ATOM 34 O OP1 . G A 1 2 ? 11.863 0.473 9.457 1.00 0.00 ? 2 G A OP1 1
937
+ ATOM 35 O OP2 . G A 1 2 ? 9.576 -0.653 9.271 1.00 0.00 ? 2 G A OP2 1
938
+ ATOM 36 O "O5'" . G A 1 2 ? 9.942 1.642 8.336 1.00 0.00 ? 2 G A "O5'" 1
939
+ ATOM 37 C "C5'" . G A 1 2 ? 10.710 2.800 8.049 1.00 0.00 ? 2 G A "C5'" 1
940
+ ATOM 38 C "C4'" . G A 1 2 ? 9.794 3.967 7.658 1.00 0.00 ? 2 G A "C4'" 1
941
+ ATOM 39 O "O4'" . G A 1 2 ? 8.937 3.626 6.584 1.00 0.00 ? 2 G A "O4'" 1
942
+ ATOM 40 C "C3'" . G A 1 2 ? 8.869 4.423 8.787 1.00 0.00 ? 2 G A "C3'" 1
943
+ ATOM 41 O "O3'" . G A 1 2 ? 9.572 5.199 9.750 1.00 0.00 ? 2 G A "O3'" 1
944
+ ATOM 42 C "C2'" . G A 1 2 ? 7.839 5.218 7.983 1.00 0.00 ? 2 G A "C2'" 1
945
+ ATOM 43 O "O2'" . G A 1 2 ? 8.291 6.532 7.715 1.00 0.00 ? 2 G A "O2'" 1
946
+ ATOM 44 C "C1'" . G A 1 2 ? 7.760 4.411 6.675 1.00 0.00 ? 2 G A "C1'" 1
947
+ ATOM 45 N N9 . G A 1 2 ? 6.540 3.565 6.668 1.00 0.00 ? 2 G A N9 1
948
+ ATOM 46 C C8 . G A 1 2 ? 6.377 2.226 6.936 1.00 0.00 ? 2 G A C8 1
949
+ ATOM 47 N N7 . G A 1 2 ? 5.143 1.810 6.848 1.00 0.00 ? 2 G A N7 1
950
+ ATOM 48 C C5 . G A 1 2 ? 4.426 2.950 6.504 1.00 0.00 ? 2 G A C5 1
951
+ ATOM 49 C C6 . G A 1 2 ? 3.028 3.134 6.241 1.00 0.00 ? 2 G A C6 1
952
+ ATOM 50 O O6 . G A 1 2 ? 2.139 2.285 6.265 1.00 0.00 ? 2 G A O6 1
953
+ ATOM 51 N N1 . G A 1 2 ? 2.701 4.461 5.931 1.00 0.00 ? 2 G A N1 1
954
+ ATOM 52 C C2 . G A 1 2 ? 3.625 5.502 5.880 1.00 0.00 ? 2 G A C2 1
955
+ ATOM 53 N N2 . G A 1 2 ? 3.165 6.728 5.604 1.00 0.00 ? 2 G A N2 1
956
+ ATOM 54 N N3 . G A 1 2 ? 4.940 5.321 6.109 1.00 0.00 ? 2 G A N3 1
957
+ ATOM 55 C C4 . G A 1 2 ? 5.278 4.033 6.411 1.00 0.00 ? 2 G A C4 1
958
+ ATOM 56 H "H5'" . G A 1 2 ? 11.404 2.605 7.230 1.00 0.00 ? 2 G A "H5'" 1
959
+ ATOM 57 H "H5''" . G A 1 2 ? 11.283 3.089 8.931 1.00 0.00 ? 2 G A "H5''" 1
960
+ ATOM 58 H "H4'" . G A 1 2 ? 10.414 4.807 7.337 1.00 0.00 ? 2 G A "H4'" 1
961
+ ATOM 59 H "H3'" . G A 1 2 ? 8.390 3.549 9.237 1.00 0.00 ? 2 G A "H3'" 1
962
+ ATOM 60 H "H2'" . G A 1 2 ? 6.883 5.274 8.498 1.00 0.00 ? 2 G A "H2'" 1
963
+ ATOM 61 H "HO2'" . G A 1 2 ? 9.242 6.561 7.836 1.00 0.00 ? 2 G A "HO2'" 1
964
+ ATOM 62 H "H1'" . G A 1 2 ? 7.723 5.077 5.811 1.00 0.00 ? 2 G A "H1'" 1
965
+ ATOM 63 H H8 . G A 1 2 ? 7.192 1.566 7.192 1.00 0.00 ? 2 G A H8 1
966
+ ATOM 64 H H1 . G A 1 2 ? 1.731 4.667 5.751 1.00 0.00 ? 2 G A H1 1
967
+ ATOM 65 H H21 . G A 1 2 ? 2.180 6.879 5.451 1.00 0.00 ? 2 G A H21 1
968
+ ATOM 66 H H22 . G A 1 2 ? 3.807 7.507 5.562 1.00 0.00 ? 2 G A H22 1
969
+ ATOM 67 P P . U A 1 3 ? 8.988 5.498 11.231 1.00 0.00 ? 3 U A P 1
970
+ ATOM 68 O OP1 . U A 1 3 ? 9.969 6.352 11.939 1.00 0.00 ? 3 U A OP1 1
971
+ ATOM 69 O OP2 . U A 1 3 ? 8.578 4.209 11.830 1.00 0.00 ? 3 U A OP2 1
972
+ ATOM 70 O "O5'" . U A 1 3 ? 7.653 6.370 10.969 1.00 0.00 ? 3 U A "O5'" 1
973
+ ATOM 71 C "C5'" . U A 1 3 ? 7.685 7.764 10.713 1.00 0.00 ? 3 U A "C5'" 1
974
+ ATOM 72 C "C4'" . U A 1 3 ? 6.282 8.267 10.343 1.00 0.00 ? 3 U A "C4'" 1
975
+ ATOM 73 O "O4'" . U A 1 3 ? 5.734 7.552 9.249 1.00 0.00 ? 3 U A "O4'" 1
976
+ ATOM 74 C "C3'" . U A 1 3 ? 5.261 8.127 11.474 1.00 0.00 ? 3 U A "C3'" 1
977
+ ATOM 75 O "O3'" . U A 1 3 ? 5.436 9.139 12.458 1.00 0.00 ? 3 U A "O3'" 1
978
+ ATOM 76 C "C2'" . U A 1 3 ? 3.960 8.257 10.681 1.00 0.00 ? 3 U A "C2'" 1
979
+ ATOM 77 O "O2'" . U A 1 3 ? 3.654 9.615 10.418 1.00 0.00 ? 3 U A "O2'" 1
980
+ ATOM 78 C "C1'" . U A 1 3 ? 4.317 7.528 9.373 1.00 0.00 ? 3 U A "C1'" 1
981
+ ATOM 79 N N1 . U A 1 3 ? 3.775 6.132 9.398 1.00 0.00 ? 3 U A N1 1
982
+ ATOM 80 C C2 . U A 1 3 ? 2.456 5.942 8.959 1.00 0.00 ? 3 U A C2 1
983
+ ATOM 81 O O2 . U A 1 3 ? 1.740 6.854 8.548 1.00 0.00 ? 3 U A O2 1
984
+ ATOM 82 N N3 . U A 1 3 ? 1.973 4.637 9.011 1.00 0.00 ? 3 U A N3 1
985
+ ATOM 83 C C4 . U A 1 3 ? 2.654 3.523 9.495 1.00 0.00 ? 3 U A C4 1
986
+ ATOM 84 O O4 . U A 1 3 ? 2.118 2.418 9.493 1.00 0.00 ? 3 U A O4 1
987
+ ATOM 85 C C5 . U A 1 3 ? 3.992 3.812 9.981 1.00 0.00 ? 3 U A C5 1
988
+ ATOM 86 C C6 . U A 1 3 ? 4.498 5.072 9.923 1.00 0.00 ? 3 U A C6 1
989
+ ATOM 87 H "H5'" . U A 1 3 ? 8.370 7.990 9.895 1.00 0.00 ? 3 U A "H5'" 1
990
+ ATOM 88 H "H5''" . U A 1 3 ? 8.022 8.291 11.608 1.00 0.00 ? 3 U A "H5''" 1
991
+ ATOM 89 H "H4'" . U A 1 3 ? 6.357 9.317 10.051 1.00 0.00 ? 3 U A "H4'" 1
992
+ ATOM 90 H "H3'" . U A 1 3 ? 5.332 7.125 11.903 1.00 0.00 ? 3 U A "H3'" 1
993
+ ATOM 91 H "H2'" . U A 1 3 ? 3.117 7.801 11.200 1.00 0.00 ? 3 U A "H2'" 1
994
+ ATOM 92 H "HO2'" . U A 1 3 ? 4.471 10.119 10.409 1.00 0.00 ? 3 U A "HO2'" 1
995
+ ATOM 93 H "H1'" . U A 1 3 ? 3.920 8.065 8.509 1.00 0.00 ? 3 U A "H1'" 1
996
+ ATOM 94 H H3 . U A 1 3 ? 1.040 4.488 8.665 1.00 0.00 ? 3 U A H3 1
997
+ ATOM 95 H H5 . U A 1 3 ? 4.590 3.012 10.396 1.00 0.00 ? 3 U A H5 1
998
+ ATOM 96 H H6 . U A 1 3 ? 5.487 5.235 10.316 1.00 0.00 ? 3 U A H6 1
999
+ ATOM 97 P P . A A 1 4 ? 4.919 8.971 13.982 1.00 0.00 ? 4 A A P 1
1000
+ ATOM 98 O OP1 . A A 1 4 ? 5.191 10.240 14.695 1.00 0.00 ? 4 A A OP1 1
1001
+ ATOM 99 O OP2 . A A 1 4 ? 5.468 7.704 14.514 1.00 0.00 ? 4 A A OP2 1
1002
+ ATOM 100 O "O5'" . A A 1 4 ? 3.319 8.801 13.841 1.00 0.00 ? 4 A A "O5'" 1
1003
+ ATOM 101 C "C5'" . A A 1 4 ? 2.452 9.907 13.653 1.00 0.00 ? 4 A A "C5'" 1
1004
+ ATOM 102 C "C4'" . A A 1 4 ? 1.010 9.420 13.476 1.00 0.00 ? 4 A A "C4'" 1
1005
+ ATOM 103 O "O4'" . A A 1 4 ? 0.893 8.484 12.423 1.00 0.00 ? 4 A A "O4'" 1
1006
+ ATOM 104 C "C3'" . A A 1 4 ? 0.477 8.700 14.709 1.00 0.00 ? 4 A A "C3'" 1
1007
+ ATOM 105 O "O3'" . A A 1 4 ? 0.166 9.643 15.723 1.00 0.00 ? 4 A A "O3'" 1
1008
+ ATOM 106 C "C2'" . A A 1 4 ? -0.715 7.950 14.104 1.00 0.00 ? 4 A A "C2'" 1
1009
+ ATOM 107 O "O2'" . A A 1 4 ? -1.896 8.731 14.077 1.00 0.00 ? 4 A A "O2'" 1
1010
+ ATOM 108 C "C1'" . A A 1 4 ? -0.247 7.677 12.666 1.00 0.00 ? 4 A A "C1'" 1
1011
+ ATOM 109 N N9 . A A 1 4 ? 0.076 6.243 12.469 1.00 0.00 ? 4 A A N9 1
1012
+ ATOM 110 C C8 . A A 1 4 ? 1.281 5.589 12.573 1.00 0.00 ? 4 A A C8 1
1013
+ ATOM 111 N N7 . A A 1 4 ? 1.235 4.327 12.249 1.00 0.00 ? 4 A A N7 1
1014
+ ATOM 112 C C5 . A A 1 4 ? -0.101 4.115 11.933 1.00 0.00 ? 4 A A C5 1
1015
+ ATOM 113 C C6 . A A 1 4 ? -0.835 2.980 11.500 1.00 0.00 ? 4 A A C6 1
1016
+ ATOM 114 N N6 . A A 1 4 ? -0.266 1.800 11.223 1.00 0.00 ? 4 A A N6 1
1017
+ ATOM 115 N N1 . A A 1 4 ? -2.176 3.100 11.345 1.00 0.00 ? 4 A A N1 1
1018
+ ATOM 116 C C2 . A A 1 4 ? -2.765 4.277 11.579 1.00 0.00 ? 4 A A C2 1
1019
+ ATOM 117 N N3 . A A 1 4 ? -2.182 5.418 11.960 1.00 0.00 ? 4 A A N3 1
1020
+ ATOM 118 C C4 . A A 1 4 ? -0.829 5.271 12.121 1.00 0.00 ? 4 A A C4 1
1021
+ ATOM 119 H "H5'" . A A 1 4 ? 2.743 10.480 12.773 1.00 0.00 ? 4 A A "H5'" 1
1022
+ ATOM 120 H "H5''" . A A 1 4 ? 2.492 10.558 14.528 1.00 0.00 ? 4 A A "H5''" 1
1023
+ ATOM 121 H "H4'" . A A 1 4 ? 0.364 10.272 13.250 1.00 0.00 ? 4 A A "H4'" 1
1024
+ ATOM 122 H "H3'" . A A 1 4 ? 1.214 7.975 15.065 1.00 0.00 ? 4 A A "H3'" 1
1025
+ ATOM 123 H "H2'" . A A 1 4 ? -0.909 7.033 14.652 1.00 0.00 ? 4 A A "H2'" 1
1026
+ ATOM 124 H "HO2'" . A A 1 4 ? -1.655 9.659 14.074 1.00 0.00 ? 4 A A "HO2'" 1
1027
+ ATOM 125 H "H1'" . A A 1 4 ? -1.020 7.963 11.950 1.00 0.00 ? 4 A A "H1'" 1
1028
+ ATOM 126 H H8 . A A 1 4 ? 2.195 6.075 12.880 1.00 0.00 ? 4 A A H8 1
1029
+ ATOM 127 H H61 . A A 1 4 ? -0.839 1.027 10.916 1.00 0.00 ? 4 A A H61 1
1030
+ ATOM 128 H H62 . A A 1 4 ? 0.739 1.702 11.259 1.00 0.00 ? 4 A A H62 1
1031
+ ATOM 129 H H2 . A A 1 4 ? -3.835 4.311 11.432 1.00 0.00 ? 4 A A H2 1
1032
+ ATOM 130 P P . C A 1 5 ? -0.347 9.197 17.182 1.00 0.00 ? 5 C A P 1
1033
+ ATOM 131 O OP1 . C A 1 5 ? -0.635 10.416 17.970 1.00 0.00 ? 5 C A OP1 1
1034
+ ATOM 132 O OP2 . C A 1 5 ? 0.570 8.165 17.718 1.00 0.00 ? 5 C A OP2 1
1035
+ ATOM 133 O "O5'" . C A 1 5 ? -1.743 8.500 16.799 1.00 0.00 ? 5 C A "O5'" 1
1036
+ ATOM 134 C "C5'" . C A 1 5 ? -2.660 8.091 17.780 1.00 0.00 ? 5 C A "C5'" 1
1037
+ ATOM 135 C "C4'" . C A 1 5 ? -3.838 7.310 17.171 1.00 0.00 ? 5 C A "C4'" 1
1038
+ ATOM 136 O "O4'" . C A 1 5 ? -3.692 6.900 15.815 1.00 0.00 ? 5 C A "O4'" 1
1039
+ ATOM 137 C "C3'" . C A 1 5 ? -4.033 6.011 17.940 1.00 0.00 ? 5 C A "C3'" 1
1040
+ ATOM 138 O "O3'" . C A 1 5 ? -4.554 6.238 19.232 1.00 0.00 ? 5 C A "O3'" 1
1041
+ ATOM 139 C "C2'" . C A 1 5 ? -4.924 5.237 16.982 1.00 0.00 ? 5 C A "C2'" 1
1042
+ ATOM 140 O "O2'" . C A 1 5 ? -6.264 5.686 17.020 1.00 0.00 ? 5 C A "O2'" 1
1043
+ ATOM 141 C "C1'" . C A 1 5 ? -4.254 5.597 15.649 1.00 0.00 ? 5 C A "C1'" 1
1044
+ ATOM 142 N N1 . C A 1 5 ? -3.203 4.580 15.318 1.00 0.00 ? 5 C A N1 1
1045
+ ATOM 143 C C2 . C A 1 5 ? -3.605 3.387 14.692 1.00 0.00 ? 5 C A C2 1
1046
+ ATOM 144 O O2 . C A 1 5 ? -4.785 3.185 14.413 1.00 0.00 ? 5 C A O2 1
1047
+ ATOM 145 N N3 . C A 1 5 ? -2.652 2.447 14.400 1.00 0.00 ? 5 C A N3 1
1048
+ ATOM 146 C C4 . C A 1 5 ? -1.353 2.641 14.703 1.00 0.00 ? 5 C A C4 1
1049
+ ATOM 147 N N4 . C A 1 5 ? -0.465 1.688 14.398 1.00 0.00 ? 5 C A N4 1
1050
+ ATOM 148 C C5 . C A 1 5 ? -0.920 3.843 15.371 1.00 0.00 ? 5 C A C5 1
1051
+ ATOM 149 C C6 . C A 1 5 ? -1.875 4.761 15.666 1.00 0.00 ? 5 C A C6 1
1052
+ ATOM 150 H "H5'" . C A 1 5 ? -3.048 8.970 18.296 1.00 0.00 ? 5 C A "H5'" 1
1053
+ ATOM 151 H "H5''" . C A 1 5 ? -2.130 7.474 18.508 1.00 0.00 ? 5 C A "H5''" 1
1054
+ ATOM 152 H "H4'" . C A 1 5 ? -4.741 7.923 17.227 1.00 0.00 ? 5 C A "H4'" 1
1055
+ ATOM 153 H "H3'" . C A 1 5 ? -3.074 5.494 18.026 1.00 0.00 ? 5 C A "H3'" 1
1056
+ ATOM 154 H "H2'" . C A 1 5 ? -4.901 4.175 17.196 1.00 0.00 ? 5 C A "H2'" 1
1057
+ ATOM 155 H "HO2'" . C A 1 5 ? -6.273 6.645 17.014 1.00 0.00 ? 5 C A "HO2'" 1
1058
+ ATOM 156 H "H1'" . C A 1 5 ? -4.997 5.643 14.848 1.00 0.00 ? 5 C A "H1'" 1
1059
+ ATOM 157 H H41 . C A 1 5 ? -0.776 0.846 13.936 1.00 0.00 ? 5 C A H41 1
1060
+ ATOM 158 H H42 . C A 1 5 ? 0.515 1.820 14.601 1.00 0.00 ? 5 C A H42 1
1061
+ ATOM 159 H H5 . C A 1 5 ? 0.108 4.036 15.642 1.00 0.00 ? 5 C A H5 1
1062
+ ATOM 160 H H6 . C A 1 5 ? -1.575 5.645 16.206 1.00 0.00 ? 5 C A H6 1
1063
+ ATOM 161 P P . U A 1 6 ? -4.803 5.026 20.257 1.00 0.00 ? 6 U A P 1
1064
+ ATOM 162 O OP1 . U A 1 6 ? -4.824 5.584 21.627 1.00 0.00 ? 6 U A OP1 1
1065
+ ATOM 163 O OP2 . U A 1 6 ? -3.893 3.905 19.925 1.00 0.00 ? 6 U A OP2 1
1066
+ ATOM 164 O "O5'" . U A 1 6 ? -6.299 4.591 19.871 1.00 0.00 ? 6 U A "O5'" 1
1067
+ ATOM 165 C "C5'" . U A 1 6 ? -6.956 3.569 20.582 1.00 0.00 ? 6 U A "C5'" 1
1068
+ ATOM 166 C "C4'" . U A 1 6 ? -8.471 3.710 20.450 1.00 0.00 ? 6 U A "C4'" 1
1069
+ ATOM 167 O "O4'" . U A 1 6 ? -8.898 5.009 20.816 1.00 0.00 ? 6 U A "O4'" 1
1070
+ ATOM 168 C "C3'" . U A 1 6 ? -9.037 3.417 19.050 1.00 0.00 ? 6 U A "C3'" 1
1071
+ ATOM 169 O "O3'" . U A 1 6 ? -10.180 2.642 19.343 1.00 0.00 ? 6 U A "O3'" 1
1072
+ ATOM 170 C "C2'" . U A 1 6 ? -9.401 4.802 18.514 1.00 0.00 ? 6 U A "C2'" 1
1073
+ ATOM 171 O "O2'" . U A 1 6 ? -10.464 4.859 17.584 1.00 0.00 ? 6 U A "O2'" 1
1074
+ ATOM 172 C "C1'" . U A 1 6 ? -9.765 5.512 19.814 1.00 0.00 ? 6 U A "C1'" 1
1075
+ ATOM 173 N N1 . U A 1 6 ? -9.557 6.971 19.650 1.00 0.00 ? 6 U A N1 1
1076
+ ATOM 174 C C2 . U A 1 6 ? -10.673 7.818 19.601 1.00 0.00 ? 6 U A C2 1
1077
+ ATOM 175 O O2 . U A 1 6 ? -11.831 7.420 19.716 1.00 0.00 ? 6 U A O2 1
1078
+ ATOM 176 N N3 . U A 1 6 ? -10.400 9.173 19.404 1.00 0.00 ? 6 U A N3 1
1079
+ ATOM 177 C C4 . U A 1 6 ? -9.131 9.732 19.225 1.00 0.00 ? 6 U A C4 1
1080
+ ATOM 178 O O4 . U A 1 6 ? -9.004 10.944 19.074 1.00 0.00 ? 6 U A O4 1
1081
+ ATOM 179 C C5 . U A 1 6 ? -8.038 8.771 19.236 1.00 0.00 ? 6 U A C5 1
1082
+ ATOM 180 C C6 . U A 1 6 ? -8.279 7.455 19.447 1.00 0.00 ? 6 U A C6 1
1083
+ ATOM 181 H "H5'" . U A 1 6 ? -6.720 3.634 21.647 1.00 0.00 ? 6 U A "H5'" 1
1084
+ ATOM 182 H "H5''" . U A 1 6 ? -6.633 2.597 20.207 1.00 0.00 ? 6 U A "H5''" 1
1085
+ ATOM 183 H "H4'" . U A 1 6 ? -8.874 3.016 21.193 1.00 0.00 ? 6 U A "H4'" 1
1086
+ ATOM 184 H "H3'" . U A 1 6 ? -8.312 2.914 18.412 1.00 0.00 ? 6 U A "H3'" 1
1087
+ ATOM 185 H "H2'" . U A 1 6 ? -8.525 5.238 18.036 1.00 0.00 ? 6 U A "H2'" 1
1088
+ ATOM 186 H "HO2'" . U A 1 6 ? -10.725 5.774 17.456 1.00 0.00 ? 6 U A "HO2'" 1
1089
+ ATOM 187 H "H1'" . U A 1 6 ? -10.786 5.239 20.095 1.00 0.00 ? 6 U A "H1'" 1
1090
+ ATOM 188 H H3 . U A 1 6 ? -11.191 9.799 19.388 1.00 0.00 ? 6 U A H3 1
1091
+ ATOM 189 H H5 . U A 1 6 ? -7.020 9.097 19.076 1.00 0.00 ? 6 U A H5 1
1092
+ ATOM 190 H H6 . U A 1 6 ? -7.445 6.771 19.436 1.00 0.00 ? 6 U A H6 1
1093
+ ATOM 191 P P . A A 1 7 ? -10.927 1.685 18.310 1.00 0.00 ? 7 A A P 1
1094
+ ATOM 192 O OP1 . A A 1 7 ? -11.243 2.422 17.068 1.00 0.00 ? 7 A A OP1 1
1095
+ ATOM 193 O OP2 . A A 1 7 ? -12.014 1.027 19.065 1.00 0.00 ? 7 A A OP2 1
1096
+ ATOM 194 O "O5'" . A A 1 7 ? -9.864 0.553 17.921 1.00 0.00 ? 7 A A "O5'" 1
1097
+ ATOM 195 C "C5'" . A A 1 7 ? -10.336 -0.526 17.148 1.00 0.00 ? 7 A A "C5'" 1
1098
+ ATOM 196 C "C4'" . A A 1 7 ? -9.234 -1.418 16.602 1.00 0.00 ? 7 A A "C4'" 1
1099
+ ATOM 197 O "O4'" . A A 1 7 ? -8.166 -0.683 16.033 1.00 0.00 ? 7 A A "O4'" 1
1100
+ ATOM 198 C "C3'" . A A 1 7 ? -8.669 -2.317 17.703 1.00 0.00 ? 7 A A "C3'" 1
1101
+ ATOM 199 O "O3'" . A A 1 7 ? -8.649 -3.625 17.197 1.00 0.00 ? 7 A A "O3'" 1
1102
+ ATOM 200 C "C2'" . A A 1 7 ? -7.241 -1.832 17.876 1.00 0.00 ? 7 A A "C2'" 1
1103
+ ATOM 201 O "O2'" . A A 1 7 ? -6.356 -2.881 18.228 1.00 0.00 ? 7 A A "O2'" 1
1104
+ ATOM 202 C "C1'" . A A 1 7 ? -6.945 -1.227 16.502 1.00 0.00 ? 7 A A "C1'" 1
1105
+ ATOM 203 N N9 . A A 1 7 ? -5.951 -0.155 16.681 1.00 0.00 ? 7 A A N9 1
1106
+ ATOM 204 C C8 . A A 1 7 ? -6.171 1.117 17.142 1.00 0.00 ? 7 A A C8 1
1107
+ ATOM 205 N N7 . A A 1 7 ? -5.092 1.756 17.483 1.00 0.00 ? 7 A A N7 1
1108
+ ATOM 206 C C5 . A A 1 7 ? -4.073 0.864 17.187 1.00 0.00 ? 7 A A C5 1
1109
+ ATOM 207 C C6 . A A 1 7 ? -2.662 0.923 17.321 1.00 0.00 ? 7 A A C6 1
1110
+ ATOM 208 N N6 . A A 1 7 ? -2.035 1.978 17.858 1.00 0.00 ? 7 A A N6 1
1111
+ ATOM 209 N N1 . A A 1 7 ? -1.925 -0.141 16.909 1.00 0.00 ? 7 A A N1 1
1112
+ ATOM 210 C C2 . A A 1 7 ? -2.557 -1.217 16.419 1.00 0.00 ? 7 A A C2 1
1113
+ ATOM 211 N N3 . A A 1 7 ? -3.874 -1.404 16.274 1.00 0.00 ? 7 A A N3 1
1114
+ ATOM 212 C C4 . A A 1 7 ? -4.588 -0.306 16.674 1.00 0.00 ? 7 A A C4 1
1115
+ ATOM 213 H "H5'" . A A 1 7 ? -10.906 -0.146 16.298 1.00 0.00 ? 7 A A "H5'" 1
1116
+ ATOM 214 H "H5''" . A A 1 7 ? -10.997 -1.125 17.777 1.00 0.00 ? 7 A A "H5''" 1
1117
+ ATOM 215 H "H4'" . A A 1 7 ? -9.695 -2.009 15.806 1.00 0.00 ? 7 A A "H4'" 1
1118
+ ATOM 216 H "H3'" . A A 1 7 ? -9.199 -2.249 18.657 1.00 0.00 ? 7 A A "H3'" 1
1119
+ ATOM 217 H "H2'" . A A 1 7 ? -7.230 -1.072 18.660 1.00 0.00 ? 7 A A "H2'" 1
1120
+ ATOM 218 H "HO2'" . A A 1 7 ? -6.879 -3.678 18.353 1.00 0.00 ? 7 A A "HO2'" 1
1121
+ ATOM 219 H "H1'" . A A 1 7 ? -6.601 -1.995 15.806 1.00 0.00 ? 7 A A "H1'" 1
1122
+ ATOM 220 H H8 . A A 1 7 ? -7.161 1.527 17.250 1.00 0.00 ? 7 A A H8 1
1123
+ ATOM 221 H H61 . A A 1 7 ? -1.027 1.986 17.919 1.00 0.00 ? 7 A A H61 1
1124
+ ATOM 222 H H62 . A A 1 7 ? -2.572 2.754 18.219 1.00 0.00 ? 7 A A H62 1
1125
+ ATOM 223 H H2 . A A 1 7 ? -1.930 -2.041 16.111 1.00 0.00 ? 7 A A H2 1
1126
+ ATOM 224 P P . U A 1 8 ? -9.738 -4.710 17.621 1.00 0.00 ? 8 U A P 1
1127
+ ATOM 225 O OP1 . U A 1 8 ? -11.096 -4.239 17.272 1.00 0.00 ? 8 U A OP1 1
1128
+ ATOM 226 O OP2 . U A 1 8 ? -9.422 -5.175 18.991 1.00 0.00 ? 8 U A OP2 1
1129
+ ATOM 227 O "O5'" . U A 1 8 ? -9.259 -5.794 16.555 1.00 0.00 ? 8 U A "O5'" 1
1130
+ ATOM 228 C "C5'" . U A 1 8 ? -8.139 -6.606 16.818 1.00 0.00 ? 8 U A "C5'" 1
1131
+ ATOM 229 C "C4'" . U A 1 8 ? -7.211 -6.680 15.598 1.00 0.00 ? 8 U A "C4'" 1
1132
+ ATOM 230 O "O4'" . U A 1 8 ? -5.978 -6.031 15.882 1.00 0.00 ? 8 U A "O4'" 1
1133
+ ATOM 231 C "C3'" . U A 1 8 ? -6.862 -8.147 15.367 1.00 0.00 ? 8 U A "C3'" 1
1134
+ ATOM 232 O "O3'" . U A 1 8 ? -6.324 -8.211 14.069 1.00 0.00 ? 8 U A "O3'" 1
1135
+ ATOM 233 C "C2'" . U A 1 8 ? -5.804 -8.326 16.455 1.00 0.00 ? 8 U A "C2'" 1
1136
+ ATOM 234 O "O2'" . U A 1 8 ? -5.002 -9.475 16.291 1.00 0.00 ? 8 U A "O2'" 1
1137
+ ATOM 235 C "C1'" . U A 1 8 ? -5.024 -7.023 16.241 1.00 0.00 ? 8 U A "C1'" 1
1138
+ ATOM 236 N N1 . U A 1 8 ? -4.152 -6.538 17.349 1.00 0.00 ? 8 U A N1 1
1139
+ ATOM 237 C C2 . U A 1 8 ? -3.161 -5.607 16.991 1.00 0.00 ? 8 U A C2 1
1140
+ ATOM 238 O O2 . U A 1 8 ? -2.989 -5.215 15.839 1.00 0.00 ? 8 U A O2 1
1141
+ ATOM 239 N N3 . U A 1 8 ? -2.363 -5.123 18.027 1.00 0.00 ? 8 U A N3 1
1142
+ ATOM 240 C C4 . U A 1 8 ? -2.487 -5.463 19.373 1.00 0.00 ? 8 U A C4 1
1143
+ ATOM 241 O O4 . U A 1 8 ? -1.736 -4.959 20.207 1.00 0.00 ? 8 U A O4 1
1144
+ ATOM 242 C C5 . U A 1 8 ? -3.544 -6.419 19.664 1.00 0.00 ? 8 U A C5 1
1145
+ ATOM 243 C C6 . U A 1 8 ? -4.329 -6.919 18.668 1.00 0.00 ? 8 U A C6 1
1146
+ ATOM 244 H "H5'" . U A 1 8 ? -8.570 -7.574 17.065 1.00 0.00 ? 8 U A "H5'" 1
1147
+ ATOM 245 H "H5''" . U A 1 8 ? -7.552 -6.276 17.680 1.00 0.00 ? 8 U A "H5''" 1
1148
+ ATOM 246 H "H4'" . U A 1 8 ? -7.676 -6.227 14.719 1.00 0.00 ? 8 U A "H4'" 1
1149
+ ATOM 247 H "H3'" . U A 1 8 ? -7.730 -8.799 15.486 1.00 0.00 ? 8 U A "H3'" 1
1150
+ ATOM 248 H "H2'" . U A 1 8 ? -6.317 -8.374 17.415 1.00 0.00 ? 8 U A "H2'" 1
1151
+ ATOM 249 H "HO2'" . U A 1 8 ? -5.573 -10.217 16.078 1.00 0.00 ? 8 U A "HO2'" 1
1152
+ ATOM 250 H "H1'" . U A 1 8 ? -4.397 -7.197 15.363 1.00 0.00 ? 8 U A "H1'" 1
1153
+ ATOM 251 H H3 . U A 1 8 ? -1.642 -4.466 17.772 1.00 0.00 ? 8 U A H3 1
1154
+ ATOM 252 H H5 . U A 1 8 ? -3.714 -6.737 20.682 1.00 0.00 ? 8 U A H5 1
1155
+ ATOM 253 H H6 . U A 1 8 ? -5.097 -7.619 18.954 1.00 0.00 ? 8 U A H6 1
1156
+ ATOM 254 P P . G A 1 9 ? -6.429 -9.508 13.153 1.00 0.00 ? 9 G A P 1
1157
+ ATOM 255 O OP1 . G A 1 9 ? -7.859 -9.831 12.943 1.00 0.00 ? 9 G A OP1 1
1158
+ ATOM 256 O OP2 . G A 1 9 ? -5.504 -10.531 13.689 1.00 0.00 ? 9 G A OP2 1
1159
+ ATOM 257 O "O5'" . G A 1 9 ? -5.778 -8.897 11.810 1.00 0.00 ? 9 G A "O5'" 1
1160
+ ATOM 258 C "C5'" . G A 1 9 ? -6.324 -7.851 11.012 1.00 0.00 ? 9 G A "C5'" 1
1161
+ ATOM 259 C "C4'" . G A 1 9 ? -6.862 -6.553 11.666 1.00 0.00 ? 9 G A "C4'" 1
1162
+ ATOM 260 O "O4'" . G A 1 9 ? -5.960 -5.917 12.552 1.00 0.00 ? 9 G A "O4'" 1
1163
+ ATOM 261 C "C3'" . G A 1 9 ? -7.030 -5.515 10.556 1.00 0.00 ? 9 G A "C3'" 1
1164
+ ATOM 262 O "O3'" . G A 1 9 ? -8.172 -5.808 9.763 1.00 0.00 ? 9 G A "O3'" 1
1165
+ ATOM 263 C "C2'" . G A 1 9 ? -7.053 -4.184 11.312 1.00 0.00 ? 9 G A "C2'" 1
1166
+ ATOM 264 O "O2'" . G A 1 9 ? -8.364 -3.803 11.686 1.00 0.00 ? 9 G A "O2'" 1
1167
+ ATOM 265 C "C1'" . G A 1 9 ? -6.209 -4.513 12.557 1.00 0.00 ? 9 G A "C1'" 1
1168
+ ATOM 266 N N9 . G A 1 9 ? -4.919 -3.779 12.554 1.00 0.00 ? 9 G A N9 1
1169
+ ATOM 267 C C8 . G A 1 9 ? -3.651 -4.251 12.312 1.00 0.00 ? 9 G A C8 1
1170
+ ATOM 268 N N7 . G A 1 9 ? -2.714 -3.351 12.404 1.00 0.00 ? 9 G A N7 1
1171
+ ATOM 269 C C5 . G A 1 9 ? -3.400 -2.189 12.729 1.00 0.00 ? 9 G A C5 1
1172
+ ATOM 270 C C6 . G A 1 9 ? -2.910 -0.863 12.962 1.00 0.00 ? 9 G A C6 1
1173
+ ATOM 271 O O6 . G A 1 9 ? -1.748 -0.474 12.892 1.00 0.00 ? 9 G A O6 1
1174
+ ATOM 272 N N1 . G A 1 9 ? -3.924 0.044 13.296 1.00 0.00 ? 9 G A N1 1
1175
+ ATOM 273 C C2 . G A 1 9 ? -5.275 -0.288 13.359 1.00 0.00 ? 9 G A C2 1
1176
+ ATOM 274 N N2 . G A 1 9 ? -6.133 0.688 13.679 1.00 0.00 ? 9 G A N2 1
1177
+ ATOM 275 N N3 . G A 1 9 ? -5.736 -1.535 13.121 1.00 0.00 ? 9 G A N3 1
1178
+ ATOM 276 C C4 . G A 1 9 ? -4.756 -2.439 12.819 1.00 0.00 ? 9 G A C4 1
1179
+ ATOM 277 H "H5'" . G A 1 9 ? -7.091 -8.247 10.345 1.00 0.00 ? 9 G A "H5'" 1
1180
+ ATOM 278 H "H5''" . G A 1 9 ? -5.467 -7.567 10.402 1.00 0.00 ? 9 G A "H5''" 1
1181
+ ATOM 279 H "H4'" . G A 1 9 ? -7.817 -6.716 12.173 1.00 0.00 ? 9 G A "H4'" 1
1182
+ ATOM 280 H "H3'" . G A 1 9 ? -6.128 -5.517 9.938 1.00 0.00 ? 9 G A "H3'" 1
1183
+ ATOM 281 H "H2'" . G A 1 9 ? -6.616 -3.394 10.699 1.00 0.00 ? 9 G A "H2'" 1
1184
+ ATOM 282 H "HO2'" . G A 1 9 ? -8.395 -2.845 11.747 1.00 0.00 ? 9 G A "HO2'" 1
1185
+ ATOM 283 H "H1'" . G A 1 9 ? -6.756 -4.246 13.465 1.00 0.00 ? 9 G A "H1'" 1
1186
+ ATOM 284 H H8 . G A 1 9 ? -3.442 -5.283 12.071 1.00 0.00 ? 9 G A H8 1
1187
+ ATOM 285 H H1 . G A 1 9 ? -3.643 0.992 13.499 1.00 0.00 ? 9 G A H1 1
1188
+ ATOM 286 H H21 . G A 1 9 ? -5.793 1.621 13.861 1.00 0.00 ? 9 G A H21 1
1189
+ ATOM 287 H H22 . G A 1 9 ? -7.118 0.486 13.760 1.00 0.00 ? 9 G A H22 1
1190
+ ATOM 288 P P . U A 1 10 ? -8.464 -5.053 8.368 1.00 0.00 ? 10 U A P 1
1191
+ ATOM 289 O OP1 . U A 1 10 ? -9.722 -5.582 7.798 1.00 0.00 ? 10 U A OP1 1
1192
+ ATOM 290 O OP2 . U A 1 10 ? -7.224 -5.057 7.559 1.00 0.00 ? 10 U A OP2 1
1193
+ ATOM 291 O "O5'" . U A 1 10 ? -8.743 -3.560 8.892 1.00 0.00 ? 10 U A "O5'" 1
1194
+ ATOM 292 C "C5'" . U A 1 10 ? -8.756 -2.456 8.019 1.00 0.00 ? 10 U A "C5'" 1
1195
+ ATOM 293 C "C4'" . U A 1 10 ? -8.882 -1.157 8.824 1.00 0.00 ? 10 U A "C4'" 1
1196
+ ATOM 294 O "O4'" . U A 1 10 ? -8.069 -1.135 9.989 1.00 0.00 ? 10 U A "O4'" 1
1197
+ ATOM 295 C "C3'" . U A 1 10 ? -8.422 0.022 7.970 1.00 0.00 ? 10 U A "C3'" 1
1198
+ ATOM 296 O "O3'" . U A 1 10 ? -9.436 0.429 7.063 1.00 0.00 ? 10 U A "O3'" 1
1199
+ ATOM 297 C "C2'" . U A 1 10 ? -8.085 1.043 9.048 1.00 0.00 ? 10 U A "C2'" 1
1200
+ ATOM 298 O "O2'" . U A 1 10 ? -9.262 1.642 9.561 1.00 0.00 ? 10 U A "O2'" 1
1201
+ ATOM 299 C "C1'" . U A 1 10 ? -7.444 0.136 10.112 1.00 0.00 ? 10 U A "C1'" 1
1202
+ ATOM 300 N N1 . U A 1 10 ? -5.960 0.041 9.926 1.00 0.00 ? 10 U A N1 1
1203
+ ATOM 301 C C2 . U A 1 10 ? -5.184 1.117 10.381 1.00 0.00 ? 10 U A C2 1
1204
+ ATOM 302 O O2 . U A 1 10 ? -5.666 2.140 10.866 1.00 0.00 ? 10 U A O2 1
1205
+ ATOM 303 N N3 . U A 1 10 ? -3.804 0.975 10.263 1.00 0.00 ? 10 U A N3 1
1206
+ ATOM 304 C C4 . U A 1 10 ? -3.132 -0.115 9.715 1.00 0.00 ? 10 U A C4 1
1207
+ ATOM 305 O O4 . U A 1 10 ? -1.905 -0.132 9.672 1.00 0.00 ? 10 U A O4 1
1208
+ ATOM 306 C C5 . U A 1 10 ? -4.006 -1.167 9.225 1.00 0.00 ? 10 U A C5 1
1209
+ ATOM 307 C C6 . U A 1 10 ? -5.356 -1.063 9.339 1.00 0.00 ? 10 U A C6 1
1210
+ ATOM 308 H "H5'" . U A 1 10 ? -9.604 -2.540 7.338 1.00 0.00 ? 10 U A "H5'" 1
1211
+ ATOM 309 H "H5''" . U A 1 10 ? -7.833 -2.446 7.436 1.00 0.00 ? 10 U A "H5''" 1
1212
+ ATOM 310 H "H4'" . U A 1 10 ? -9.916 -1.019 9.150 1.00 0.00 ? 10 U A "H4'" 1
1213
+ ATOM 311 H "H3'" . U A 1 10 ? -7.497 -0.248 7.452 1.00 0.00 ? 10 U A "H3'" 1
1214
+ ATOM 312 H "H2'" . U A 1 10 ? -7.408 1.812 8.678 1.00 0.00 ? 10 U A "H2'" 1
1215
+ ATOM 313 H "HO2'" . U A 1 10 ? -9.133 2.592 9.596 1.00 0.00 ? 10 U A "HO2'" 1
1216
+ ATOM 314 H "H1'" . U A 1 10 ? -7.653 0.513 11.116 1.00 0.00 ? 10 U A "H1'" 1
1217
+ ATOM 315 H H3 . U A 1 10 ? -3.241 1.736 10.603 1.00 0.00 ? 10 U A H3 1
1218
+ ATOM 316 H H5 . U A 1 10 ? -3.572 -2.043 8.766 1.00 0.00 ? 10 U A H5 1
1219
+ ATOM 317 H H6 . U A 1 10 ? -5.955 -1.873 8.953 1.00 0.00 ? 10 U A H6 1
1220
+ ATOM 318 P P . A A 1 11 ? -9.096 1.089 5.627 1.00 0.00 ? 11 A A P 1
1221
+ ATOM 319 O OP1 . A A 1 11 ? -10.375 1.467 4.984 1.00 0.00 ? 11 A A OP1 1
1222
+ ATOM 320 O OP2 . A A 1 11 ? -8.159 0.189 4.917 1.00 0.00 ? 11 A A OP2 1
1223
+ ATOM 321 O "O5'" . A A 1 11 ? -8.298 2.439 6.016 1.00 0.00 ? 11 A A "O5'" 1
1224
+ ATOM 322 C "C5'" . A A 1 11 ? -8.965 3.600 6.480 1.00 0.00 ? 11 A A "C5'" 1
1225
+ ATOM 323 C "C4'" . A A 1 11 ? -7.952 4.682 6.871 1.00 0.00 ? 11 A A "C4'" 1
1226
+ ATOM 324 O "O4'" . A A 1 11 ? -7.083 4.227 7.893 1.00 0.00 ? 11 A A "O4'" 1
1227
+ ATOM 325 C "C3'" . A A 1 11 ? -7.040 5.123 5.724 1.00 0.00 ? 11 A A "C3'" 1
1228
+ ATOM 326 O "O3'" . A A 1 11 ? -7.707 6.002 4.827 1.00 0.00 ? 11 A A "O3'" 1
1229
+ ATOM 327 C "C2'" . A A 1 11 ? -5.915 5.787 6.517 1.00 0.00 ? 11 A A "C2'" 1
1230
+ ATOM 328 O "O2'" . A A 1 11 ? -6.257 7.111 6.884 1.00 0.00 ? 11 A A "O2'" 1
1231
+ ATOM 329 C "C1'" . A A 1 11 ? -5.840 4.897 7.767 1.00 0.00 ? 11 A A "C1'" 1
1232
+ ATOM 330 N N9 . A A 1 11 ? -4.726 3.924 7.655 1.00 0.00 ? 11 A A N9 1
1233
+ ATOM 331 C C8 . A A 1 11 ? -4.722 2.613 7.235 1.00 0.00 ? 11 A A C8 1
1234
+ ATOM 332 N N7 . A A 1 11 ? -3.560 2.026 7.320 1.00 0.00 ? 11 A A N7 1
1235
+ ATOM 333 C C5 . A A 1 11 ? -2.723 3.019 7.816 1.00 0.00 ? 11 A A C5 1
1236
+ ATOM 334 C C6 . A A 1 11 ? -1.345 3.062 8.161 1.00 0.00 ? 11 A A C6 1
1237
+ ATOM 335 N N6 . A A 1 11 ? -0.533 1.998 8.115 1.00 0.00 ? 11 A A N6 1
1238
+ ATOM 336 N N1 . A A 1 11 ? -0.822 4.242 8.569 1.00 0.00 ? 11 A A N1 1
1239
+ ATOM 337 C C2 . A A 1 11 ? -1.605 5.321 8.653 1.00 0.00 ? 11 A A C2 1
1240
+ ATOM 338 N N3 . A A 1 11 ? -2.912 5.399 8.389 1.00 0.00 ? 11 A A N3 1
1241
+ ATOM 339 C C4 . A A 1 11 ? -3.420 4.197 7.972 1.00 0.00 ? 11 A A C4 1
1242
+ ATOM 340 H "H5'" . A A 1 11 ? -9.582 3.363 7.348 1.00 0.00 ? 11 A A "H5'" 1
1243
+ ATOM 341 H "H5''" . A A 1 11 ? -9.605 3.992 5.687 1.00 0.00 ? 11 A A "H5''" 1
1244
+ ATOM 342 H "H4'" . A A 1 11 ? -8.493 5.549 7.257 1.00 0.00 ? 11 A A "H4'" 1
1245
+ ATOM 343 H "H3'" . A A 1 11 ? -6.650 4.240 5.211 1.00 0.00 ? 11 A A "H3'" 1
1246
+ ATOM 344 H "H2'" . A A 1 11 ? -4.985 5.801 5.955 1.00 0.00 ? 11 A A "H2'" 1
1247
+ ATOM 345 H "HO2'" . A A 1 11 ? -5.463 7.650 6.858 1.00 0.00 ? 11 A A "HO2'" 1
1248
+ ATOM 346 H "H1'" . A A 1 11 ? -5.683 5.500 8.665 1.00 0.00 ? 11 A A "H1'" 1
1249
+ ATOM 347 H H8 . A A 1 11 ? -5.603 2.100 6.877 1.00 0.00 ? 11 A A H8 1
1250
+ ATOM 348 H H61 . A A 1 11 ? 0.438 2.099 8.375 1.00 0.00 ? 11 A A H61 1
1251
+ ATOM 349 H H62 . A A 1 11 ? -0.900 1.088 7.873 1.00 0.00 ? 11 A A H62 1
1252
+ ATOM 350 H H2 . A A 1 11 ? -1.130 6.230 8.992 1.00 0.00 ? 11 A A H2 1
1253
+ ATOM 351 P P . C A 1 12 ? -7.147 6.330 3.341 1.00 0.00 ? 12 C A P 1
1254
+ ATOM 352 O OP1 . C A 1 12 ? -8.066 7.310 2.719 1.00 0.00 ? 12 C A OP1 1
1255
+ ATOM 353 O OP2 . C A 1 12 ? -6.886 5.042 2.660 1.00 0.00 ? 12 C A OP2 1
1256
+ ATOM 354 O "O5'" . C A 1 12 ? -5.722 7.057 3.585 1.00 0.00 ? 12 C A "O5'" 1
1257
+ ATOM 355 C "C5'" . C A 1 12 ? -5.601 8.436 3.898 1.00 0.00 ? 12 C A "C5'" 1
1258
+ ATOM 356 C "C4'" . C A 1 12 ? -4.136 8.777 4.209 1.00 0.00 ? 12 C A "C4'" 1
1259
+ ATOM 357 O "O4'" . C A 1 12 ? -3.626 7.931 5.225 1.00 0.00 ? 12 C A "O4'" 1
1260
+ ATOM 358 C "C3'" . C A 1 12 ? -3.197 8.600 3.013 1.00 0.00 ? 12 C A "C3'" 1
1261
+ ATOM 359 O "O3'" . C A 1 12 ? -3.261 9.709 2.124 1.00 0.00 ? 12 C A "O3'" 1
1262
+ ATOM 360 C "C2'" . C A 1 12 ? -1.849 8.468 3.722 1.00 0.00 ? 12 C A "C2'" 1
1263
+ ATOM 361 O "O2'" . C A 1 12 ? -1.287 9.736 4.005 1.00 0.00 ? 12 C A "O2'" 1
1264
+ ATOM 362 C "C1'" . C A 1 12 ? -2.229 7.761 5.034 1.00 0.00 ? 12 C A "C1'" 1
1265
+ ATOM 363 N N1 . C A 1 12 ? -1.833 6.319 4.991 1.00 0.00 ? 12 C A N1 1
1266
+ ATOM 364 C C2 . C A 1 12 ? -0.535 5.983 5.410 1.00 0.00 ? 12 C A C2 1
1267
+ ATOM 365 O O2 . C A 1 12 ? 0.259 6.848 5.770 1.00 0.00 ? 12 C A O2 1
1268
+ ATOM 366 N N3 . C A 1 12 ? -0.171 4.664 5.411 1.00 0.00 ? 12 C A N3 1
1269
+ ATOM 367 C C4 . C A 1 12 ? -1.011 3.698 4.997 1.00 0.00 ? 12 C A C4 1
1270
+ ATOM 368 N N4 . C A 1 12 ? -0.603 2.425 5.064 1.00 0.00 ? 12 C A N4 1
1271
+ ATOM 369 C C5 . C A 1 12 ? -2.327 4.022 4.500 1.00 0.00 ? 12 C A C5 1
1272
+ ATOM 370 C C6 . C A 1 12 ? -2.682 5.335 4.511 1.00 0.00 ? 12 C A C6 1
1273
+ ATOM 371 H "H5'" . C A 1 12 ? -6.216 8.686 4.764 1.00 0.00 ? 12 C A "H5'" 1
1274
+ ATOM 372 H "H5''" . C A 1 12 ? -5.931 9.037 3.049 1.00 0.00 ? 12 C A "H5''" 1
1275
+ ATOM 373 H "H4'" . C A 1 12 ? -4.072 9.808 4.566 1.00 0.00 ? 12 C A "H4'" 1
1276
+ ATOM 374 H "H3'" . C A 1 12 ? -3.436 7.663 2.505 1.00 0.00 ? 12 C A "H3'" 1
1277
+ ATOM 375 H "H2'" . C A 1 12 ? -1.145 7.894 3.121 1.00 0.00 ? 12 C A "H2'" 1
1278
+ ATOM 376 H "HO2'" . C A 1 12 ? -0.341 9.692 3.847 1.00 0.00 ? 12 C A "HO2'" 1
1279
+ ATOM 377 H "H1'" . C A 1 12 ? -1.752 8.253 5.885 1.00 0.00 ? 12 C A "H1'" 1
1280
+ ATOM 378 H H41 . C A 1 12 ? 0.324 2.220 5.411 1.00 0.00 ? 12 C A H41 1
1281
+ ATOM 379 H H42 . C A 1 12 ? -1.218 1.673 4.790 1.00 0.00 ? 12 C A H42 1
1282
+ ATOM 380 H H5 . C A 1 12 ? -3.022 3.281 4.133 1.00 0.00 ? 12 C A H5 1
1283
+ ATOM 381 H H6 . C A 1 12 ? -3.652 5.602 4.125 1.00 0.00 ? 12 C A H6 1
1284
+ ATOM 382 P P . C A 1 13 ? -2.672 9.657 0.615 1.00 0.00 ? 13 C A P 1
1285
+ ATOM 383 O OP1 . C A 1 13 ? -2.805 11.012 0.033 1.00 0.00 ? 13 C A OP1 1
1286
+ ATOM 384 O OP2 . C A 1 13 ? -3.297 8.506 -0.073 1.00 0.00 ? 13 C A OP2 1
1287
+ ATOM 385 O "O5'" . C A 1 13 ? -1.096 9.330 0.787 1.00 0.00 ? 13 C A "O5'" 1
1288
+ ATOM 386 C "C5'" . C A 1 13 ? -0.110 10.334 0.988 1.00 0.00 ? 13 C A "C5'" 1
1289
+ ATOM 387 C "C4'" . C A 1 13 ? 1.276 9.682 1.113 1.00 0.00 ? 13 C A "C4'" 1
1290
+ ATOM 388 O "O4'" . C A 1 13 ? 1.281 8.709 2.140 1.00 0.00 ? 13 C A "O4'" 1
1291
+ ATOM 389 C "C3'" . C A 1 13 ? 1.694 8.923 -0.149 1.00 0.00 ? 13 C A "C3'" 1
1292
+ ATOM 390 O "O3'" . C A 1 13 ? 2.178 9.796 -1.163 1.00 0.00 ? 13 C A "O3'" 1
1293
+ ATOM 391 C "C2'" . C A 1 13 ? 2.730 7.941 0.402 1.00 0.00 ? 13 C A "C2'" 1
1294
+ ATOM 392 O "O2'" . C A 1 13 ? 4.054 8.427 0.314 1.00 0.00 ? 13 C A "O2'" 1
1295
+ ATOM 393 C "C1'" . C A 1 13 ? 2.336 7.796 1.883 1.00 0.00 ? 13 C A "C1'" 1
1296
+ ATOM 394 N N1 . C A 1 13 ? 1.950 6.382 2.164 1.00 0.00 ? 13 C A N1 1
1297
+ ATOM 395 C C2 . C A 1 13 ? 2.970 5.479 2.505 1.00 0.00 ? 13 C A C2 1
1298
+ ATOM 396 O O2 . C A 1 13 ? 4.129 5.860 2.653 1.00 0.00 ? 13 C A O2 1
1299
+ ATOM 397 N N3 . C A 1 13 ? 2.649 4.158 2.656 1.00 0.00 ? 13 C A N3 1
1300
+ ATOM 398 C C4 . C A 1 13 ? 1.395 3.712 2.449 1.00 0.00 ? 13 C A C4 1
1301
+ ATOM 399 N N4 . C A 1 13 ? 1.144 2.407 2.603 1.00 0.00 ? 13 C A N4 1
1302
+ ATOM 400 C C5 . C A 1 13 ? 0.344 4.611 2.034 1.00 0.00 ? 13 C A C5 1
1303
+ ATOM 401 C C6 . C A 1 13 ? 0.671 5.923 1.905 1.00 0.00 ? 13 C A C6 1
1304
+ ATOM 402 H "H5'" . C A 1 13 ? -0.322 10.908 1.891 1.00 0.00 ? 13 C A "H5'" 1
1305
+ ATOM 403 H "H5''" . C A 1 13 ? -0.095 11.014 0.135 1.00 0.00 ? 13 C A "H5''" 1
1306
+ ATOM 404 H "H4'" . C A 1 13 ? 2.025 10.441 1.348 1.00 0.00 ? 13 C A "H4'" 1
1307
+ ATOM 405 H "H3'" . C A 1 13 ? 0.835 8.354 -0.510 1.00 0.00 ? 13 C A "H3'" 1
1308
+ ATOM 406 H "H2'" . C A 1 13 ? 2.654 7.002 -0.145 1.00 0.00 ? 13 C A "H2'" 1
1309
+ ATOM 407 H "HO2'" . C A 1 13 ? 4.646 7.743 0.638 1.00 0.00 ? 13 C A "HO2'" 1
1310
+ ATOM 408 H "H1'" . C A 1 13 ? 3.156 8.111 2.533 1.00 0.00 ? 13 C A "H1'" 1
1311
+ ATOM 409 H H41 . C A 1 13 ? 1.887 1.787 2.886 1.00 0.00 ? 13 C A H41 1
1312
+ ATOM 410 H H42 . C A 1 13 ? 0.213 2.046 2.455 1.00 0.00 ? 13 C A H42 1
1313
+ ATOM 411 H H5 . C A 1 13 ? -0.665 4.289 1.821 1.00 0.00 ? 13 C A H5 1
1314
+ ATOM 412 H H6 . C A 1 13 ? -0.085 6.611 1.558 1.00 0.00 ? 13 C A H6 1
1315
+ ATOM 413 P P . A A 1 14 ? 2.458 9.303 -2.684 1.00 0.00 ? 14 A A P 1
1316
+ ATOM 414 O OP1 . A A 1 14 ? 2.669 10.509 -3.517 1.00 0.00 ? 14 A A OP1 1
1317
+ ATOM 415 O OP2 . A A 1 14 ? 1.400 8.338 -3.059 1.00 0.00 ? 14 A A OP2 1
1318
+ ATOM 416 O "O5'" . A A 1 14 ? 3.855 8.492 -2.607 1.00 0.00 ? 14 A A "O5'" 1
1319
+ ATOM 417 C "C5'" . A A 1 14 ? 5.120 9.131 -2.678 1.00 0.00 ? 14 A A "C5'" 1
1320
+ ATOM 418 C "C4'" . A A 1 14 ? 6.242 8.089 -2.582 1.00 0.00 ? 14 A A "C4'" 1
1321
+ ATOM 419 O "O4'" . A A 1 14 ? 6.184 7.365 -1.366 1.00 0.00 ? 14 A A "O4'" 1
1322
+ ATOM 420 C "C3'" . A A 1 14 ? 6.200 7.038 -3.695 1.00 0.00 ? 14 A A "C3'" 1
1323
+ ATOM 421 O "O3'" . A A 1 14 ? 6.706 7.526 -4.924 1.00 0.00 ? 14 A A "O3'" 1
1324
+ ATOM 422 C "C2'" . A A 1 14 ? 7.043 5.928 -3.069 1.00 0.00 ? 14 A A "C2'" 1
1325
+ ATOM 423 O "O2'" . A A 1 14 ? 8.424 6.204 -3.229 1.00 0.00 ? 14 A A "O2'" 1
1326
+ ATOM 424 C "C1'" . A A 1 14 ? 6.656 6.042 -1.583 1.00 0.00 ? 14 A A "C1'" 1
1327
+ ATOM 425 N N9 . A A 1 14 ? 5.597 5.066 -1.212 1.00 0.00 ? 14 A A N9 1
1328
+ ATOM 426 C C8 . A A 1 14 ? 4.235 5.155 -1.373 1.00 0.00 ? 14 A A C8 1
1329
+ ATOM 427 N N7 . A A 1 14 ? 3.564 4.151 -0.879 1.00 0.00 ? 14 A A N7 1
1330
+ ATOM 428 C C5 . A A 1 14 ? 4.550 3.304 -0.390 1.00 0.00 ? 14 A A C5 1
1331
+ ATOM 429 C C6 . A A 1 14 ? 4.519 2.028 0.235 1.00 0.00 ? 14 A A C6 1
1332
+ ATOM 430 N N6 . A A 1 14 ? 3.381 1.392 0.544 1.00 0.00 ? 14 A A N6 1
1333
+ ATOM 431 N N1 . A A 1 14 ? 5.696 1.421 0.537 1.00 0.00 ? 14 A A N1 1
1334
+ ATOM 432 C C2 . A A 1 14 ? 6.842 2.054 0.257 1.00 0.00 ? 14 A A C2 1
1335
+ ATOM 433 N N3 . A A 1 14 ? 7.000 3.260 -0.301 1.00 0.00 ? 14 A A N3 1
1336
+ ATOM 434 C C4 . A A 1 14 ? 5.800 3.843 -0.613 1.00 0.00 ? 14 A A C4 1
1337
+ ATOM 435 H "H5'" . A A 1 14 ? 5.229 9.856 -1.869 1.00 0.00 ? 14 A A "H5'" 1
1338
+ ATOM 436 H "H5''" . A A 1 14 ? 5.217 9.650 -3.634 1.00 0.00 ? 14 A A "H5''" 1
1339
+ ATOM 437 H "H4'" . A A 1 14 ? 7.207 8.603 -2.610 1.00 0.00 ? 14 A A "H4'" 1
1340
+ ATOM 438 H "H3'" . A A 1 14 ? 5.184 6.671 -3.851 1.00 0.00 ? 14 A A "H3'" 1
1341
+ ATOM 439 H "HO3'" . A A 1 14 ? 7.285 8.272 -4.745 1.00 0.00 ? 14 A A "HO3'" 1
1342
+ ATOM 440 H "H2'" . A A 1 14 ? 6.812 4.948 -3.493 1.00 0.00 ? 14 A A "H2'" 1
1343
+ ATOM 441 H "HO2'" . A A 1 14 ? 8.896 5.894 -2.453 1.00 0.00 ? 14 A A "HO2'" 1
1344
+ ATOM 442 H "H1'" . A A 1 14 ? 7.523 5.878 -0.940 1.00 0.00 ? 14 A A "H1'" 1
1345
+ ATOM 443 H H8 . A A 1 14 ? 3.752 5.988 -1.858 1.00 0.00 ? 14 A A H8 1
1346
+ ATOM 444 H H61 . A A 1 14 ? 3.418 0.498 1.011 1.00 0.00 ? 14 A A H61 1
1347
+ ATOM 445 H H62 . A A 1 14 ? 2.490 1.824 0.345 1.00 0.00 ? 14 A A H62 1
1348
+ ATOM 446 H H2 . A A 1 14 ? 7.750 1.530 0.519 1.00 0.00 ? 14 A A H2 1
1349
+ #
structures/1lu3.cif ADDED
@@ -0,0 +1,1814 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1LU3
2
+ #
3
+ _entry.id 1LU3
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.386
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 1LU3 pdb_00001lu3 10.2210/pdb1lu3/pdb
15
+ RCSB RCSB016269 ? ?
16
+ WWPDB D_1000016269 ? ?
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 2002-06-26
25
+ 2 'Structure model' 1 1 2008-04-28
26
+ 3 'Structure model' 1 2 2011-07-13
27
+ 4 'Structure model' 1 3 2018-07-18
28
+ 5 'Structure model' 1 4 2024-02-14
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 5 'Structure model' 'Data collection'
47
+ 5 5 'Structure model' 'Database references'
48
+ 6 5 'Structure model' 'Derived calculations'
49
+ 7 5 'Structure model' 'Refinement description'
50
+ #
51
+ loop_
52
+ _pdbx_audit_revision_category.ordinal
53
+ _pdbx_audit_revision_category.revision_ordinal
54
+ _pdbx_audit_revision_category.data_content_type
55
+ _pdbx_audit_revision_category.category
56
+ 1 4 'Structure model' em_image_scans
57
+ 2 4 'Structure model' em_software
58
+ 3 5 'Structure model' chem_comp_atom
59
+ 4 5 'Structure model' chem_comp_bond
60
+ 5 5 'Structure model' database_2
61
+ 6 5 'Structure model' em_3d_fitting_list
62
+ 7 5 'Structure model' pdbx_initial_refinement_model
63
+ 8 5 'Structure model' struct_conn
64
+ #
65
+ loop_
66
+ _pdbx_audit_revision_item.ordinal
67
+ _pdbx_audit_revision_item.revision_ordinal
68
+ _pdbx_audit_revision_item.data_content_type
69
+ _pdbx_audit_revision_item.item
70
+ 1 4 'Structure model' '_em_software.image_processing_id'
71
+ 2 5 'Structure model' '_database_2.pdbx_DOI'
72
+ 3 5 'Structure model' '_database_2.pdbx_database_accession'
73
+ 4 5 'Structure model' '_em_3d_fitting_list.accession_code'
74
+ 5 5 'Structure model' '_em_3d_fitting_list.initial_refinement_model_id'
75
+ 6 5 'Structure model' '_em_3d_fitting_list.source_name'
76
+ 7 5 'Structure model' '_em_3d_fitting_list.type'
77
+ 8 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'
78
+ #
79
+ _pdbx_database_status.status_code REL
80
+ _pdbx_database_status.entry_id 1LU3
81
+ _pdbx_database_status.recvd_initial_deposition_date 2002-05-21
82
+ _pdbx_database_status.deposit_site RCSB
83
+ _pdbx_database_status.process_site RCSB
84
+ _pdbx_database_status.SG_entry .
85
+ _pdbx_database_status.status_code_sf ?
86
+ _pdbx_database_status.status_code_mr ?
87
+ _pdbx_database_status.pdb_format_compatible Y
88
+ _pdbx_database_status.status_code_cs ?
89
+ _pdbx_database_status.methods_development_category ?
90
+ _pdbx_database_status.status_code_nmr_data ?
91
+ #
92
+ loop_
93
+ _pdbx_database_related.db_name
94
+ _pdbx_database_related.db_id
95
+ _pdbx_database_related.details
96
+ _pdbx_database_related.content_type
97
+ PDB 1LS2
98
+ ;1ls2 is Fitting of EF-Tu and tRNA in the low resolution cryo-EM map of an EF-Tu ternary complex (GDP and Kirromycin) bound to E.coli 70S ribosome
99
+ ;
100
+ unspecified
101
+ PDB 1EFC '1efc is Intact Elongation Factor from E.coli' unspecified
102
+ PDB 1TTT '1ttt is Phe-tRNA, Elongation Factor EF-Tu: GDPNP Ternary Complex' unspecified
103
+ PDB 1EXM
104
+ '1exm is Crystal Structure of Thermus Thermophilus Elongation Factor Tu(EF-Tu) in complex with the GTP Analog GPPNHP' unspecified
105
+ EMDB EMD-1045 . 'associated EM volume'
106
+ #
107
+ loop_
108
+ _audit_author.name
109
+ _audit_author.pdbx_ordinal
110
+ 'Valle, M.' 1
111
+ 'Sengupta, J.' 2
112
+ 'Swami, N.K.' 3
113
+ 'Grassucci, R.A.' 4
114
+ 'Burkhardt, N.' 5
115
+ 'Nierhaus, K.H.' 6
116
+ 'Agrawal, R.K.' 7
117
+ 'Frank, J.' 8
118
+ #
119
+ loop_
120
+ _citation.id
121
+ _citation.title
122
+ _citation.journal_abbrev
123
+ _citation.journal_volume
124
+ _citation.page_first
125
+ _citation.page_last
126
+ _citation.year
127
+ _citation.journal_id_ASTM
128
+ _citation.country
129
+ _citation.journal_id_ISSN
130
+ _citation.journal_id_CSD
131
+ _citation.book_publisher
132
+ _citation.pdbx_database_id_PubMed
133
+ _citation.pdbx_database_id_DOI
134
+ primary 'Cryo-EM reveals an active role for aminoacyl-tRNA in the accommodation process.' 'EMBO J.' 21
135
+ 3557 3567 2002 EMJODG UK 0261-4189 0897 ? 12093756 10.1093/emboj/cdf326
136
+ 1 'Crystal structure of intact elongation factor EF-Tu from E.coli in GDP conformation at 2.05A resolution' J.Mol.Biol. 285
137
+ 1245 1256 1999 JMOBAK UK 0022-2836 0070 ? ? ?
138
+ 2 'Crystal structure of the ternary complex of the Phe-tRNAPhe, EF-Tu, and a GTP analog' Science 270
139
+ 1464 1472 1995 SCIEAS US 0036-8075 0038 ? ? ?
140
+ 3 'Visualization of elongation factor Tu on E.coli ribosome' Nature 389
141
+ 403 406 1997 NATUAS UK 0028-0836 0006 ? ? ?
142
+ 4 'The crystal structure of elongation factor EF-Tu from Thermus aquaticus in the GTP conformation' Structure 1
143
+ 35 50 1993 STRUE6 UK 0969-2126 2005 ? ? ?
144
+ 5 'Helix unwinding in the effector region of elongation factor EF-Tu-GDP' Structure 4
145
+ 1141 1151 1996 STRUE6 UK 0969-2126 2005 ? ? ?
146
+ #
147
+ loop_
148
+ _citation_author.citation_id
149
+ _citation_author.name
150
+ _citation_author.ordinal
151
+ _citation_author.identifier_ORCID
152
+ primary 'Valle, M.' 1 ?
153
+ primary 'Sengupta, J.' 2 ?
154
+ primary 'Swami, N.K.' 3 ?
155
+ primary 'Grassucci, R.A.' 4 ?
156
+ primary 'Burkhardt, N.' 5 ?
157
+ primary 'Nierhaus, K.H.' 6 ?
158
+ primary 'Agrawal, R.K.' 7 ?
159
+ primary 'Frank, J.' 8 ?
160
+ 1 'Song, H.' 9 ?
161
+ 1 'Parsons, M.R.' 10 ?
162
+ 1 'Rowsell, S.' 11 ?
163
+ 1 'Leonard, G.' 12 ?
164
+ 1 'Phillips, S.E.' 13 ?
165
+ 2 'Nissen, P.' 14 ?
166
+ 2 'Kjeldgaard, M.' 15 ?
167
+ 2 'Thirup, S.' 16 ?
168
+ 2 'Polekhina, G.' 17 ?
169
+ 2 'Reshetnikova, L.' 18 ?
170
+ 2 'Clark, B.F.C.' 19 ?
171
+ 2 'Nyborg, J.' 20 ?
172
+ 3 'Stark, H.' 21 ?
173
+ 3 'Rodnina, M.V.' 22 ?
174
+ 3 'Rinke-Appel, J.' 23 ?
175
+ 3 'Brimacombe, R.' 24 ?
176
+ 3 'Wintermeyer, W.' 25 ?
177
+ 3 'van Heel, M.' 26 ?
178
+ 4 'Kjeldgaard, M.' 27 ?
179
+ 4 'Nissen, P.' 28 ?
180
+ 4 'Thirup, S.' 29 ?
181
+ 4 'Nyborg, J.' 30 ?
182
+ 5 'Polekhina, G.' 31 ?
183
+ 5 'Thirup, S.' 32 ?
184
+ 5 'Kjeldgaard, M.' 33 ?
185
+ 5 'Nissen, P.' 34 ?
186
+ 5 'Lippmann, C.' 35 ?
187
+ 5 'Nyborg, J.' 36 ?
188
+ #
189
+ _entity.id 1
190
+ _entity.type polymer
191
+ _entity.src_method nat
192
+ _entity.pdbx_description 'PHENYLALANINE TRANSFER RNA'
193
+ _entity.formula_weight 5466.326
194
+ _entity.pdbx_number_of_molecules 1
195
+ _entity.pdbx_ec ?
196
+ _entity.pdbx_mutation ?
197
+ _entity.pdbx_fragment 'anticodon loop region'
198
+ _entity.details ?
199
+ #
200
+ _entity_poly.entity_id 1
201
+ _entity_poly.type polyribonucleotide
202
+ _entity_poly.nstd_linkage no
203
+ _entity_poly.nstd_monomer yes
204
+ _entity_poly.pdbx_seq_one_letter_code 'GCCAGACUGAAGA(PSU)CUG'
205
+ _entity_poly.pdbx_seq_one_letter_code_can GCCAGACUGAAGAUCUG
206
+ _entity_poly.pdbx_strand_id A
207
+ _entity_poly.pdbx_target_identifier ?
208
+ #
209
+ loop_
210
+ _entity_poly_seq.entity_id
211
+ _entity_poly_seq.num
212
+ _entity_poly_seq.mon_id
213
+ _entity_poly_seq.hetero
214
+ 1 1 G n
215
+ 1 2 C n
216
+ 1 3 C n
217
+ 1 4 A n
218
+ 1 5 G n
219
+ 1 6 A n
220
+ 1 7 C n
221
+ 1 8 U n
222
+ 1 9 G n
223
+ 1 10 A n
224
+ 1 11 A n
225
+ 1 12 G n
226
+ 1 13 A n
227
+ 1 14 PSU n
228
+ 1 15 C n
229
+ 1 16 U n
230
+ 1 17 G n
231
+ #
232
+ _entity_src_nat.entity_id 1
233
+ _entity_src_nat.pdbx_src_id 1
234
+ _entity_src_nat.pdbx_alt_source_flag sample
235
+ _entity_src_nat.pdbx_beg_seq_num ?
236
+ _entity_src_nat.pdbx_end_seq_num ?
237
+ _entity_src_nat.common_name
238
+ ;baker's yeast
239
+ ;
240
+ _entity_src_nat.pdbx_organism_scientific 'Saccharomyces cerevisiae'
241
+ _entity_src_nat.pdbx_ncbi_taxonomy_id 4932
242
+ _entity_src_nat.genus Saccharomyces
243
+ _entity_src_nat.species ?
244
+ _entity_src_nat.strain ?
245
+ _entity_src_nat.tissue ?
246
+ _entity_src_nat.tissue_fraction ?
247
+ _entity_src_nat.pdbx_secretion ?
248
+ _entity_src_nat.pdbx_fragment ?
249
+ _entity_src_nat.pdbx_variant ?
250
+ _entity_src_nat.pdbx_cell_line ?
251
+ _entity_src_nat.pdbx_atcc ?
252
+ _entity_src_nat.pdbx_cellular_location ?
253
+ _entity_src_nat.pdbx_organ ?
254
+ _entity_src_nat.pdbx_organelle ?
255
+ _entity_src_nat.pdbx_cell ?
256
+ _entity_src_nat.pdbx_plasmid_name ?
257
+ _entity_src_nat.pdbx_plasmid_details ?
258
+ _entity_src_nat.details ?
259
+ #
260
+ loop_
261
+ _chem_comp.id
262
+ _chem_comp.type
263
+ _chem_comp.mon_nstd_flag
264
+ _chem_comp.name
265
+ _chem_comp.pdbx_synonyms
266
+ _chem_comp.formula
267
+ _chem_comp.formula_weight
268
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
269
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
270
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
271
+ PSU 'RNA linking' n "PSEUDOURIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
272
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
273
+ #
274
+ loop_
275
+ _pdbx_poly_seq_scheme.asym_id
276
+ _pdbx_poly_seq_scheme.entity_id
277
+ _pdbx_poly_seq_scheme.seq_id
278
+ _pdbx_poly_seq_scheme.mon_id
279
+ _pdbx_poly_seq_scheme.ndb_seq_num
280
+ _pdbx_poly_seq_scheme.pdb_seq_num
281
+ _pdbx_poly_seq_scheme.auth_seq_num
282
+ _pdbx_poly_seq_scheme.pdb_mon_id
283
+ _pdbx_poly_seq_scheme.auth_mon_id
284
+ _pdbx_poly_seq_scheme.pdb_strand_id
285
+ _pdbx_poly_seq_scheme.pdb_ins_code
286
+ _pdbx_poly_seq_scheme.hetero
287
+ A 1 1 G 1 26 26 G G A . n
288
+ A 1 2 C 2 27 27 C C A . n
289
+ A 1 3 C 3 28 28 C C A . n
290
+ A 1 4 A 4 29 29 A A A . n
291
+ A 1 5 G 5 30 30 G G A . n
292
+ A 1 6 A 6 31 31 A A A . n
293
+ A 1 7 C 7 32 32 C C A . n
294
+ A 1 8 U 8 33 33 U U A . n
295
+ A 1 9 G 9 34 34 G G A . n
296
+ A 1 10 A 10 35 35 A A A . n
297
+ A 1 11 A 11 36 36 A A A . n
298
+ A 1 12 G 12 37 37 G G A . n
299
+ A 1 13 A 13 38 38 A A A . n
300
+ A 1 14 PSU 14 39 39 PSU PSU A . n
301
+ A 1 15 C 15 40 40 C C A . n
302
+ A 1 16 U 16 41 41 U U A . n
303
+ A 1 17 G 17 42 42 G G A . n
304
+ #
305
+ _exptl.entry_id 1LU3
306
+ _exptl.method 'ELECTRON MICROSCOPY'
307
+ _exptl.crystals_number ?
308
+ #
309
+ _refine.entry_id 1LU3
310
+ _refine.ls_R_factor_all ?
311
+ _refine.ls_R_factor_obs ?
312
+ _refine.ls_R_factor_R_work ?
313
+ _refine.ls_d_res_high 16.8
314
+ _refine.ls_d_res_low ?
315
+ _refine.ls_number_reflns_obs ?
316
+ _refine.ls_percent_reflns_obs ?
317
+ _refine.ls_number_reflns_all ?
318
+ _refine.pdbx_ls_sigma_F ?
319
+ _refine.pdbx_ls_sigma_I ?
320
+ _refine.ls_redundancy_reflns_obs ?
321
+ _refine.pdbx_data_cutoff_high_absF ?
322
+ _refine.pdbx_data_cutoff_low_absF ?
323
+ _refine.ls_number_parameters ?
324
+ _refine.ls_number_restraints ?
325
+ _refine.ls_R_factor_R_free ?
326
+ _refine.ls_number_reflns_R_free ?
327
+ _refine.ls_percent_reflns_R_free ?
328
+ _refine.ls_R_factor_R_free_error ?
329
+ _refine.ls_R_factor_R_free_error_details ?
330
+ _refine.pdbx_method_to_determine_struct ?
331
+ _refine.pdbx_starting_model ?
332
+ _refine.pdbx_isotropic_thermal_model ?
333
+ _refine.B_iso_mean ?
334
+ _refine.aniso_B[1][1] ?
335
+ _refine.aniso_B[1][2] ?
336
+ _refine.aniso_B[1][3] ?
337
+ _refine.aniso_B[2][2] ?
338
+ _refine.aniso_B[2][3] ?
339
+ _refine.aniso_B[3][3] ?
340
+ _refine.pdbx_ls_cross_valid_method ?
341
+ _refine.pdbx_R_Free_selection_details ?
342
+ _refine.pdbx_stereochem_target_val_spec_case ?
343
+ _refine.pdbx_stereochemistry_target_values ?
344
+ _refine.solvent_model_details ?
345
+ _refine.solvent_model_param_bsol ?
346
+ _refine.solvent_model_param_ksol ?
347
+ _refine.occupancy_max ?
348
+ _refine.occupancy_min ?
349
+ _refine.overall_SU_B ?
350
+ _refine.overall_SU_ML ?
351
+ _refine.pdbx_overall_ESU_R ?
352
+ _refine.pdbx_overall_ESU_R_Free ?
353
+ _refine.pdbx_data_cutoff_high_rms_absF ?
354
+ _refine.details ?
355
+ _refine.B_iso_min ?
356
+ _refine.B_iso_max ?
357
+ _refine.correlation_coeff_Fo_to_Fc ?
358
+ _refine.correlation_coeff_Fo_to_Fc_free ?
359
+ _refine.overall_SU_R_Cruickshank_DPI ?
360
+ _refine.overall_SU_R_free ?
361
+ _refine.pdbx_overall_phase_error ?
362
+ _refine.pdbx_solvent_vdw_probe_radii ?
363
+ _refine.pdbx_solvent_ion_probe_radii ?
364
+ _refine.pdbx_solvent_shrinkage_radii ?
365
+ _refine.pdbx_refine_id 'ELECTRON MICROSCOPY'
366
+ _refine.pdbx_diffrn_id ?
367
+ _refine.pdbx_TLS_residual_ADP_flag ?
368
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
369
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
370
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
371
+ #
372
+ _refine_hist.pdbx_refine_id 'ELECTRON MICROSCOPY'
373
+ _refine_hist.cycle_id LAST
374
+ _refine_hist.pdbx_number_atoms_protein 0
375
+ _refine_hist.pdbx_number_atoms_nucleic_acid 365
376
+ _refine_hist.pdbx_number_atoms_ligand 0
377
+ _refine_hist.number_atoms_solvent 0
378
+ _refine_hist.number_atoms_total 365
379
+ _refine_hist.d_res_high 16.8
380
+ _refine_hist.d_res_low .
381
+ #
382
+ _database_PDB_matrix.entry_id 1LU3
383
+ _database_PDB_matrix.origx[1][1] 1.000000
384
+ _database_PDB_matrix.origx[1][2] 0.000000
385
+ _database_PDB_matrix.origx[1][3] 0.000000
386
+ _database_PDB_matrix.origx[2][1] 0.000000
387
+ _database_PDB_matrix.origx[2][2] 1.000000
388
+ _database_PDB_matrix.origx[2][3] 0.000000
389
+ _database_PDB_matrix.origx[3][1] 0.000000
390
+ _database_PDB_matrix.origx[3][2] 0.000000
391
+ _database_PDB_matrix.origx[3][3] 1.000000
392
+ _database_PDB_matrix.origx_vector[1] 0.00000
393
+ _database_PDB_matrix.origx_vector[2] 0.00000
394
+ _database_PDB_matrix.origx_vector[3] 0.00000
395
+ #
396
+ _struct.entry_id 1LU3
397
+ _struct.title
398
+ ;Separate Fitting of the Anticodon Loop Region of tRNA (nucleotide 26-42) in the Low Resolution Cryo-EM Map of an EF-Tu Ternary Complex (GDP and Kirromycin) Bound to E. coli 70S Ribosome
399
+ ;
400
+ _struct.pdbx_model_details ?
401
+ _struct.pdbx_CASP_flag ?
402
+ _struct.pdbx_model_type_details ?
403
+ #
404
+ _struct_keywords.entry_id 1LU3
405
+ _struct_keywords.pdbx_keywords RNA
406
+ _struct_keywords.text 'tRNA, ternary complex, cryo-EM, 70S E.coli ribosome, conformational change, RNA'
407
+ #
408
+ _struct_asym.id A
409
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
410
+ _struct_asym.pdbx_modified N
411
+ _struct_asym.entity_id 1
412
+ _struct_asym.details ?
413
+ #
414
+ _struct_ref.id 1
415
+ _struct_ref.entity_id 1
416
+ _struct_ref.db_name PDB
417
+ _struct_ref.db_code 1LU3
418
+ _struct_ref.pdbx_db_accession 1LU3
419
+ _struct_ref.pdbx_db_isoform ?
420
+ _struct_ref.pdbx_seq_one_letter_code ?
421
+ _struct_ref.pdbx_align_begin ?
422
+ #
423
+ _struct_ref_seq.align_id 1
424
+ _struct_ref_seq.ref_id 1
425
+ _struct_ref_seq.pdbx_PDB_id_code 1LU3
426
+ _struct_ref_seq.pdbx_strand_id A
427
+ _struct_ref_seq.seq_align_beg 1
428
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
429
+ _struct_ref_seq.seq_align_end 17
430
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
431
+ _struct_ref_seq.pdbx_db_accession 1LU3
432
+ _struct_ref_seq.db_align_beg 26
433
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
434
+ _struct_ref_seq.db_align_end 42
435
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
436
+ _struct_ref_seq.pdbx_auth_seq_align_beg 26
437
+ _struct_ref_seq.pdbx_auth_seq_align_end 42
438
+ #
439
+ _pdbx_struct_assembly.id 1
440
+ _pdbx_struct_assembly.details author_defined_assembly
441
+ _pdbx_struct_assembly.method_details ?
442
+ _pdbx_struct_assembly.oligomeric_details monomeric
443
+ _pdbx_struct_assembly.oligomeric_count 1
444
+ #
445
+ _pdbx_struct_assembly_gen.assembly_id 1
446
+ _pdbx_struct_assembly_gen.oper_expression 1
447
+ _pdbx_struct_assembly_gen.asym_id_list A
448
+ #
449
+ _pdbx_struct_oper_list.id 1
450
+ _pdbx_struct_oper_list.type 'identity operation'
451
+ _pdbx_struct_oper_list.name 1_555
452
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
453
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
454
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
455
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
456
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
457
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
458
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
459
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
460
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
461
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
462
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
463
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
464
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
465
+ #
466
+ _struct_biol.id 1
467
+ _struct_biol.pdbx_parent_biol_id ?
468
+ _struct_biol.details ?
469
+ #
470
+ loop_
471
+ _struct_conn.id
472
+ _struct_conn.conn_type_id
473
+ _struct_conn.pdbx_leaving_atom_flag
474
+ _struct_conn.pdbx_PDB_id
475
+ _struct_conn.ptnr1_label_asym_id
476
+ _struct_conn.ptnr1_label_comp_id
477
+ _struct_conn.ptnr1_label_seq_id
478
+ _struct_conn.ptnr1_label_atom_id
479
+ _struct_conn.pdbx_ptnr1_label_alt_id
480
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
481
+ _struct_conn.pdbx_ptnr1_standard_comp_id
482
+ _struct_conn.ptnr1_symmetry
483
+ _struct_conn.ptnr2_label_asym_id
484
+ _struct_conn.ptnr2_label_comp_id
485
+ _struct_conn.ptnr2_label_seq_id
486
+ _struct_conn.ptnr2_label_atom_id
487
+ _struct_conn.pdbx_ptnr2_label_alt_id
488
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
489
+ _struct_conn.ptnr1_auth_asym_id
490
+ _struct_conn.ptnr1_auth_comp_id
491
+ _struct_conn.ptnr1_auth_seq_id
492
+ _struct_conn.ptnr2_auth_asym_id
493
+ _struct_conn.ptnr2_auth_comp_id
494
+ _struct_conn.ptnr2_auth_seq_id
495
+ _struct_conn.ptnr2_symmetry
496
+ _struct_conn.pdbx_ptnr3_label_atom_id
497
+ _struct_conn.pdbx_ptnr3_label_seq_id
498
+ _struct_conn.pdbx_ptnr3_label_comp_id
499
+ _struct_conn.pdbx_ptnr3_label_asym_id
500
+ _struct_conn.pdbx_ptnr3_label_alt_id
501
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
502
+ _struct_conn.details
503
+ _struct_conn.pdbx_dist_value
504
+ _struct_conn.pdbx_value_order
505
+ _struct_conn.pdbx_role
506
+ covale1 covale both ? A A 13 "O3'" ? ? ? 1_555 A PSU 14 P ? ? A A 38 A PSU 39 1_555 ? ? ? ? ? ? ?
507
+ 1.599 ? ?
508
+ covale2 covale both ? A PSU 14 "O3'" ? ? ? 1_555 A C 15 P ? ? A PSU 39 A C 40 1_555 ? ? ? ? ? ? ?
509
+ 1.600 ? ?
510
+ hydrog1 hydrog ? ? A C 3 N3 ? ? ? 1_555 A G 17 N1 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
511
+ ?
512
+ hydrog2 hydrog ? ? A C 3 N4 ? ? ? 1_555 A G 17 O6 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
513
+ ?
514
+ hydrog3 hydrog ? ? A C 3 O2 ? ? ? 1_555 A G 17 N2 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
515
+ ?
516
+ hydrog4 hydrog ? ? A A 4 N1 ? ? ? 1_555 A U 16 N3 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
517
+ ?
518
+ hydrog5 hydrog ? ? A A 4 N6 ? ? ? 1_555 A U 16 O4 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
519
+ ?
520
+ hydrog6 hydrog ? ? A G 5 N1 ? ? ? 1_555 A C 15 N3 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
521
+ ?
522
+ hydrog7 hydrog ? ? A G 5 N2 ? ? ? 1_555 A C 15 O2 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
523
+ ?
524
+ hydrog8 hydrog ? ? A G 5 O6 ? ? ? 1_555 A C 15 N4 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
525
+ ?
526
+ hydrog9 hydrog ? ? A A 6 N1 ? ? ? 1_555 A PSU 14 N3 ? ? A A 31 A PSU 39 1_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ?
527
+ ?
528
+ hydrog10 hydrog ? ? A A 6 N6 ? ? ? 1_555 A PSU 14 O2 ? ? A A 31 A PSU 39 1_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ?
529
+ ?
530
+ #
531
+ loop_
532
+ _struct_conn_type.id
533
+ _struct_conn_type.criteria
534
+ _struct_conn_type.reference
535
+ covale ? ?
536
+ hydrog ? ?
537
+ #
538
+ loop_
539
+ _pdbx_validate_rmsd_bond.id
540
+ _pdbx_validate_rmsd_bond.PDB_model_num
541
+ _pdbx_validate_rmsd_bond.auth_atom_id_1
542
+ _pdbx_validate_rmsd_bond.auth_asym_id_1
543
+ _pdbx_validate_rmsd_bond.auth_comp_id_1
544
+ _pdbx_validate_rmsd_bond.auth_seq_id_1
545
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1
546
+ _pdbx_validate_rmsd_bond.label_alt_id_1
547
+ _pdbx_validate_rmsd_bond.auth_atom_id_2
548
+ _pdbx_validate_rmsd_bond.auth_asym_id_2
549
+ _pdbx_validate_rmsd_bond.auth_comp_id_2
550
+ _pdbx_validate_rmsd_bond.auth_seq_id_2
551
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2
552
+ _pdbx_validate_rmsd_bond.label_alt_id_2
553
+ _pdbx_validate_rmsd_bond.bond_value
554
+ _pdbx_validate_rmsd_bond.bond_target_value
555
+ _pdbx_validate_rmsd_bond.bond_deviation
556
+ _pdbx_validate_rmsd_bond.bond_standard_deviation
557
+ _pdbx_validate_rmsd_bond.linker_flag
558
+ 1 1 N3 A G 26 ? ? C4 A G 26 ? ? 1.440 1.350 0.090 0.007 N
559
+ 2 1 C4 A G 26 ? ? C5 A G 26 ? ? 1.332 1.379 -0.047 0.007 N
560
+ 3 1 C5 A G 26 ? ? N7 A G 26 ? ? 1.437 1.388 0.049 0.006 N
561
+ 4 1 N7 A G 26 ? ? C8 A G 26 ? ? 1.262 1.305 -0.043 0.006 N
562
+ 5 1 C8 A G 26 ? ? N9 A G 26 ? ? 1.303 1.374 -0.071 0.007 N
563
+ 6 1 N9 A G 26 ? ? C4 A G 26 ? ? 1.309 1.375 -0.066 0.008 N
564
+ 7 1 C2 A C 27 ? ? N3 A C 27 ? ? 1.445 1.353 0.092 0.008 N
565
+ 8 1 N3 A C 27 ? ? C4 A C 27 ? ? 1.271 1.335 -0.064 0.007 N
566
+ 9 1 C4 A C 27 ? ? C5 A C 27 ? ? 1.475 1.425 0.050 0.008 N
567
+ 10 1 C2 A C 28 ? ? N3 A C 28 ? ? 1.443 1.353 0.090 0.008 N
568
+ 11 1 N3 A C 28 ? ? C4 A C 28 ? ? 1.270 1.335 -0.065 0.007 N
569
+ 12 1 C4 A C 28 ? ? C5 A C 28 ? ? 1.475 1.425 0.050 0.008 N
570
+ 13 1 C5 A A 29 ? ? N7 A A 29 ? ? 1.340 1.388 -0.048 0.006 N
571
+ 14 1 N7 A A 29 ? ? C8 A A 29 ? ? 1.267 1.311 -0.044 0.007 N
572
+ 15 1 C8 A A 29 ? ? N9 A A 29 ? ? 1.306 1.373 -0.067 0.008 N
573
+ 16 1 N3 A G 30 ? ? C4 A G 30 ? ? 1.440 1.350 0.090 0.007 N
574
+ 17 1 C4 A G 30 ? ? C5 A G 30 ? ? 1.332 1.379 -0.047 0.007 N
575
+ 18 1 C5 A G 30 ? ? N7 A G 30 ? ? 1.436 1.388 0.048 0.006 N
576
+ 19 1 N7 A G 30 ? ? C8 A G 30 ? ? 1.262 1.305 -0.043 0.006 N
577
+ 20 1 C8 A G 30 ? ? N9 A G 30 ? ? 1.303 1.374 -0.071 0.007 N
578
+ 21 1 N9 A G 30 ? ? C4 A G 30 ? ? 1.309 1.375 -0.066 0.008 N
579
+ 22 1 C5 A A 31 ? ? N7 A A 31 ? ? 1.340 1.388 -0.048 0.006 N
580
+ 23 1 N7 A A 31 ? ? C8 A A 31 ? ? 1.268 1.311 -0.043 0.007 N
581
+ 24 1 C8 A A 31 ? ? N9 A A 31 ? ? 1.308 1.373 -0.065 0.008 N
582
+ 25 1 C2 A C 32 ? ? N3 A C 32 ? ? 1.445 1.353 0.092 0.008 N
583
+ 26 1 N3 A C 32 ? ? C4 A C 32 ? ? 1.270 1.335 -0.065 0.007 N
584
+ 27 1 C4 A C 32 ? ? C5 A C 32 ? ? 1.475 1.425 0.050 0.008 N
585
+ 28 1 N3 A G 34 ? ? C4 A G 34 ? ? 1.441 1.350 0.091 0.007 N
586
+ 29 1 C4 A G 34 ? ? C5 A G 34 ? ? 1.331 1.379 -0.048 0.007 N
587
+ 30 1 C5 A G 34 ? ? N7 A G 34 ? ? 1.435 1.388 0.047 0.006 N
588
+ 31 1 N7 A G 34 ? ? C8 A G 34 ? ? 1.262 1.305 -0.043 0.006 N
589
+ 32 1 C8 A G 34 ? ? N9 A G 34 ? ? 1.302 1.374 -0.072 0.007 N
590
+ 33 1 N9 A G 34 ? ? C4 A G 34 ? ? 1.310 1.375 -0.065 0.008 N
591
+ 34 1 C5 A A 35 ? ? N7 A A 35 ? ? 1.338 1.388 -0.050 0.006 N
592
+ 35 1 N7 A A 35 ? ? C8 A A 35 ? ? 1.267 1.311 -0.044 0.007 N
593
+ 36 1 C8 A A 35 ? ? N9 A A 35 ? ? 1.307 1.373 -0.066 0.008 N
594
+ 37 1 C5 A A 36 ? ? N7 A A 36 ? ? 1.338 1.388 -0.050 0.006 N
595
+ 38 1 N7 A A 36 ? ? C8 A A 36 ? ? 1.268 1.311 -0.043 0.007 N
596
+ 39 1 C8 A A 36 ? ? N9 A A 36 ? ? 1.308 1.373 -0.065 0.008 N
597
+ 40 1 C2 A G 37 ? ? N3 A G 37 ? ? 1.273 1.323 -0.050 0.008 N
598
+ 41 1 N3 A G 37 ? ? C4 A G 37 ? ? 1.439 1.350 0.089 0.007 N
599
+ 42 1 C4 A G 37 ? ? C5 A G 37 ? ? 1.332 1.379 -0.047 0.007 N
600
+ 43 1 C5 A G 37 ? ? N7 A G 37 ? ? 1.436 1.388 0.048 0.006 N
601
+ 44 1 N7 A G 37 ? ? C8 A G 37 ? ? 1.261 1.305 -0.044 0.006 N
602
+ 45 1 C8 A G 37 ? ? N9 A G 37 ? ? 1.302 1.374 -0.072 0.007 N
603
+ 46 1 N9 A G 37 ? ? C4 A G 37 ? ? 1.310 1.375 -0.065 0.008 N
604
+ 47 1 C5 A A 38 ? ? N7 A A 38 ? ? 1.340 1.388 -0.048 0.006 N
605
+ 48 1 N7 A A 38 ? ? C8 A A 38 ? ? 1.269 1.311 -0.042 0.007 N
606
+ 49 1 C8 A A 38 ? ? N9 A A 38 ? ? 1.308 1.373 -0.065 0.008 N
607
+ 50 1 C2 A C 40 ? ? N3 A C 40 ? ? 1.445 1.353 0.092 0.008 N
608
+ 51 1 N3 A C 40 ? ? C4 A C 40 ? ? 1.271 1.335 -0.064 0.007 N
609
+ 52 1 C4 A C 40 ? ? C5 A C 40 ? ? 1.474 1.425 0.049 0.008 N
610
+ 53 1 N3 A G 42 ? ? C4 A G 42 ? ? 1.442 1.350 0.092 0.007 N
611
+ 54 1 C4 A G 42 ? ? C5 A G 42 ? ? 1.332 1.379 -0.047 0.007 N
612
+ 55 1 C5 A G 42 ? ? N7 A G 42 ? ? 1.437 1.388 0.049 0.006 N
613
+ 56 1 N7 A G 42 ? ? C8 A G 42 ? ? 1.261 1.305 -0.044 0.006 N
614
+ 57 1 C8 A G 42 ? ? N9 A G 42 ? ? 1.302 1.374 -0.072 0.007 N
615
+ 58 1 N9 A G 42 ? ? C4 A G 42 ? ? 1.309 1.375 -0.066 0.008 N
616
+ #
617
+ loop_
618
+ _pdbx_validate_rmsd_angle.id
619
+ _pdbx_validate_rmsd_angle.PDB_model_num
620
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
621
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
622
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
623
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
624
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
625
+ _pdbx_validate_rmsd_angle.label_alt_id_1
626
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
627
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
628
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
629
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
630
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
631
+ _pdbx_validate_rmsd_angle.label_alt_id_2
632
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
633
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
634
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
635
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
636
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
637
+ _pdbx_validate_rmsd_angle.label_alt_id_3
638
+ _pdbx_validate_rmsd_angle.angle_value
639
+ _pdbx_validate_rmsd_angle.angle_target_value
640
+ _pdbx_validate_rmsd_angle.angle_deviation
641
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
642
+ _pdbx_validate_rmsd_angle.linker_flag
643
+ 1 1 OP1 A G 26 ? ? P A G 26 ? ? OP2 A G 26 ? ? 109.39 119.60 -10.21 1.50 N
644
+ 2 1 C2 A G 26 ? ? N3 A G 26 ? ? C4 A G 26 ? ? 120.25 111.90 8.35 0.50 N
645
+ 3 1 N3 A G 26 ? ? C4 A G 26 ? ? C5 A G 26 ? ? 119.09 128.60 -9.51 0.50 N
646
+ 4 1 C5 A G 26 ? ? C6 A G 26 ? ? N1 A G 26 ? ? 115.09 111.50 3.59 0.50 N
647
+ 5 1 C4 A G 26 ? ? C5 A G 26 ? ? N7 A G 26 ? ? 101.17 110.80 -9.63 0.40 N
648
+ 6 1 C5 A G 26 ? ? N7 A G 26 ? ? C8 A G 26 ? ? 109.49 104.30 5.19 0.50 N
649
+ 7 1 N7 A G 26 ? ? C8 A G 26 ? ? N9 A G 26 ? ? 109.56 113.10 -3.54 0.50 N
650
+ 8 1 N9 A G 26 ? ? C4 A G 26 ? ? C5 A G 26 ? ? 111.32 105.40 5.92 0.40 N
651
+ 9 1 C6 A G 26 ? ? C5 A G 26 ? ? N7 A G 26 ? ? 138.28 130.40 7.88 0.60 N
652
+ 10 1 N1 A G 26 ? ? C6 A G 26 ? ? O6 A G 26 ? ? 124.23 119.90 4.33 0.60 N
653
+ 11 1 C5 A G 26 ? ? C6 A G 26 ? ? O6 A G 26 ? ? 120.68 128.60 -7.92 0.60 N
654
+ 12 1 OP1 A C 27 ? ? P A C 27 ? ? OP2 A C 27 ? ? 109.22 119.60 -10.38 1.50 N
655
+ 13 1 N3 A C 27 ? ? C4 A C 27 ? ? C5 A C 27 ? ? 117.70 121.90 -4.20 0.40 N
656
+ 14 1 C4 A C 27 ? ? C5 A C 27 ? ? C6 A C 27 ? ? 120.46 117.40 3.06 0.50 N
657
+ 15 1 N3 A C 27 ? ? C2 A C 27 ? ? O2 A C 27 ? ? 117.69 121.90 -4.21 0.70 N
658
+ 16 1 N3 A C 27 ? ? C4 A C 27 ? ? N4 A C 27 ? ? 123.02 118.00 5.02 0.70 N
659
+ 17 1 OP1 A C 28 ? ? P A C 28 ? ? OP2 A C 28 ? ? 109.48 119.60 -10.12 1.50 N
660
+ 18 1 N3 A C 28 ? ? C4 A C 28 ? ? C5 A C 28 ? ? 117.64 121.90 -4.26 0.40 N
661
+ 19 1 C4 A C 28 ? ? C5 A C 28 ? ? C6 A C 28 ? ? 120.44 117.40 3.04 0.50 N
662
+ 20 1 N3 A C 28 ? ? C4 A C 28 ? ? N4 A C 28 ? ? 122.98 118.00 4.98 0.70 N
663
+ 21 1 OP1 A A 29 ? ? P A A 29 ? ? OP2 A A 29 ? ? 109.35 119.60 -10.25 1.50 N
664
+ 22 1 N1 A A 29 ? ? C2 A A 29 ? ? N3 A A 29 ? ? 122.63 129.30 -6.67 0.50 N
665
+ 23 1 C2 A A 29 ? ? N3 A A 29 ? ? C4 A A 29 ? ? 117.85 110.60 7.25 0.50 N
666
+ 24 1 N3 A A 29 ? ? C4 A A 29 ? ? C5 A A 29 ? ? 119.86 126.80 -6.94 0.70 N
667
+ 25 1 C4 A A 29 ? ? C5 A A 29 ? ? C6 A A 29 ? ? 122.35 117.00 5.35 0.50 N
668
+ 26 1 C4 A A 29 ? ? C5 A A 29 ? ? N7 A A 29 ? ? 105.51 110.70 -5.19 0.50 N
669
+ 27 1 C5 A A 29 ? ? N7 A A 29 ? ? C8 A A 29 ? ? 109.88 103.90 5.98 0.50 N
670
+ 28 1 N3 A A 29 ? ? C4 A A 29 ? ? N9 A A 29 ? ? 134.01 127.40 6.61 0.80 N
671
+ 29 1 N1 A A 29 ? ? C6 A A 29 ? ? N6 A A 29 ? ? 122.99 118.60 4.39 0.60 N
672
+ 30 1 OP1 A G 30 ? ? P A G 30 ? ? OP2 A G 30 ? ? 109.47 119.60 -10.13 1.50 N
673
+ 31 1 C2 A G 30 ? ? N3 A G 30 ? ? C4 A G 30 ? ? 120.33 111.90 8.43 0.50 N
674
+ 32 1 N3 A G 30 ? ? C4 A G 30 ? ? C5 A G 30 ? ? 118.92 128.60 -9.68 0.50 N
675
+ 33 1 C5 A G 30 ? ? C6 A G 30 ? ? N1 A G 30 ? ? 115.22 111.50 3.72 0.50 N
676
+ 34 1 C4 A G 30 ? ? C5 A G 30 ? ? N7 A G 30 ? ? 101.27 110.80 -9.53 0.40 N
677
+ 35 1 C5 A G 30 ? ? N7 A G 30 ? ? C8 A G 30 ? ? 109.42 104.30 5.12 0.50 N
678
+ 36 1 N7 A G 30 ? ? C8 A G 30 ? ? N9 A G 30 ? ? 109.60 113.10 -3.50 0.50 N
679
+ 37 1 N9 A G 30 ? ? C4 A G 30 ? ? C5 A G 30 ? ? 111.26 105.40 5.86 0.40 N
680
+ 38 1 N3 A G 30 ? ? C4 A G 30 ? ? N9 A G 30 ? ? 129.83 126.00 3.83 0.60 N
681
+ 39 1 C6 A G 30 ? ? C5 A G 30 ? ? N7 A G 30 ? ? 138.10 130.40 7.70 0.60 N
682
+ 40 1 N1 A G 30 ? ? C6 A G 30 ? ? O6 A G 30 ? ? 124.32 119.90 4.42 0.60 N
683
+ 41 1 C5 A G 30 ? ? C6 A G 30 ? ? O6 A G 30 ? ? 120.46 128.60 -8.14 0.60 N
684
+ 42 1 OP1 A A 31 ? ? P A A 31 ? ? OP2 A A 31 ? ? 109.50 119.60 -10.10 1.50 N
685
+ 43 1 N1 A A 31 ? ? C2 A A 31 ? ? N3 A A 31 ? ? 122.66 129.30 -6.64 0.50 N
686
+ 44 1 C2 A A 31 ? ? N3 A A 31 ? ? C4 A A 31 ? ? 117.83 110.60 7.23 0.50 N
687
+ 45 1 N3 A A 31 ? ? C4 A A 31 ? ? C5 A A 31 ? ? 119.88 126.80 -6.92 0.70 N
688
+ 46 1 C4 A A 31 ? ? C5 A A 31 ? ? C6 A A 31 ? ? 122.27 117.00 5.27 0.50 N
689
+ 47 1 C4 A A 31 ? ? C5 A A 31 ? ? N7 A A 31 ? ? 105.51 110.70 -5.19 0.50 N
690
+ 48 1 C5 A A 31 ? ? N7 A A 31 ? ? C8 A A 31 ? ? 109.94 103.90 6.04 0.50 N
691
+ 49 1 N3 A A 31 ? ? C4 A A 31 ? ? N9 A A 31 ? ? 133.95 127.40 6.55 0.80 N
692
+ 50 1 N1 A A 31 ? ? C6 A A 31 ? ? N6 A A 31 ? ? 122.84 118.60 4.24 0.60 N
693
+ 51 1 OP1 A C 32 ? ? P A C 32 ? ? OP2 A C 32 ? ? 109.55 119.60 -10.05 1.50 N
694
+ 52 1 N3 A C 32 ? ? C4 A C 32 ? ? C5 A C 32 ? ? 117.48 121.90 -4.42 0.40 N
695
+ 53 1 C4 A C 32 ? ? C5 A C 32 ? ? C6 A C 32 ? ? 120.66 117.40 3.26 0.50 N
696
+ 54 1 N1 A C 32 ? ? C2 A C 32 ? ? O2 A C 32 ? ? 122.51 118.90 3.61 0.60 N
697
+ 55 1 N3 A C 32 ? ? C4 A C 32 ? ? N4 A C 32 ? ? 122.90 118.00 4.90 0.70 N
698
+ 56 1 OP1 A U 33 ? ? P A U 33 ? ? OP2 A U 33 ? ? 109.40 119.60 -10.20 1.50 N
699
+ 57 1 N1 A U 33 ? ? C2 A U 33 ? ? N3 A U 33 ? ? 118.70 114.90 3.80 0.60 N
700
+ 58 1 C2 A U 33 ? ? N3 A U 33 ? ? C4 A U 33 ? ? 122.13 127.00 -4.87 0.60 N
701
+ 59 1 C5 A U 33 ? ? C4 A U 33 ? ? O4 A U 33 ? ? 119.45 125.90 -6.45 0.60 N
702
+ 60 1 OP1 A G 34 ? ? P A G 34 ? ? OP2 A G 34 ? ? 109.46 119.60 -10.14 1.50 N
703
+ 61 1 C2 A G 34 ? ? N3 A G 34 ? ? C4 A G 34 ? ? 120.31 111.90 8.41 0.50 N
704
+ 62 1 N3 A G 34 ? ? C4 A G 34 ? ? C5 A G 34 ? ? 118.95 128.60 -9.65 0.50 N
705
+ 63 1 C5 A G 34 ? ? C6 A G 34 ? ? N1 A G 34 ? ? 115.37 111.50 3.87 0.50 N
706
+ 64 1 C4 A G 34 ? ? C5 A G 34 ? ? N7 A G 34 ? ? 101.19 110.80 -9.61 0.40 N
707
+ 65 1 C5 A G 34 ? ? N7 A G 34 ? ? C8 A G 34 ? ? 109.47 104.30 5.17 0.50 N
708
+ 66 1 N7 A G 34 ? ? C8 A G 34 ? ? N9 A G 34 ? ? 109.63 113.10 -3.47 0.50 N
709
+ 67 1 N9 A G 34 ? ? C4 A G 34 ? ? C5 A G 34 ? ? 111.36 105.40 5.96 0.40 N
710
+ 68 1 N3 A G 34 ? ? C4 A G 34 ? ? N9 A G 34 ? ? 129.69 126.00 3.69 0.60 N
711
+ 69 1 C6 A G 34 ? ? C5 A G 34 ? ? N7 A G 34 ? ? 138.17 130.40 7.77 0.60 N
712
+ 70 1 N1 A G 34 ? ? C6 A G 34 ? ? O6 A G 34 ? ? 124.32 119.90 4.42 0.60 N
713
+ 71 1 C5 A G 34 ? ? C6 A G 34 ? ? O6 A G 34 ? ? 120.30 128.60 -8.30 0.60 N
714
+ 72 1 OP1 A A 35 ? ? P A A 35 ? ? OP2 A A 35 ? ? 109.40 119.60 -10.20 1.50 N
715
+ 73 1 N1 A A 35 ? ? C2 A A 35 ? ? N3 A A 35 ? ? 122.64 129.30 -6.66 0.50 N
716
+ 74 1 C2 A A 35 ? ? N3 A A 35 ? ? C4 A A 35 ? ? 118.02 110.60 7.42 0.50 N
717
+ 75 1 N3 A A 35 ? ? C4 A A 35 ? ? C5 A A 35 ? ? 119.58 126.80 -7.22 0.70 N
718
+ 76 1 C4 A A 35 ? ? C5 A A 35 ? ? C6 A A 35 ? ? 122.50 117.00 5.50 0.50 N
719
+ 77 1 C4 A A 35 ? ? C5 A A 35 ? ? N7 A A 35 ? ? 105.41 110.70 -5.29 0.50 N
720
+ 78 1 C5 A A 35 ? ? N7 A A 35 ? ? C8 A A 35 ? ? 110.05 103.90 6.15 0.50 N
721
+ 79 1 N3 A A 35 ? ? C4 A A 35 ? ? N9 A A 35 ? ? 134.15 127.40 6.75 0.80 N
722
+ 80 1 N1 A A 35 ? ? C6 A A 35 ? ? N6 A A 35 ? ? 122.86 118.60 4.26 0.60 N
723
+ 81 1 OP1 A A 36 ? ? P A A 36 ? ? OP2 A A 36 ? ? 109.17 119.60 -10.43 1.50 N
724
+ 82 1 N1 A A 36 ? ? C2 A A 36 ? ? N3 A A 36 ? ? 122.57 129.30 -6.73 0.50 N
725
+ 83 1 C2 A A 36 ? ? N3 A A 36 ? ? C4 A A 36 ? ? 117.81 110.60 7.21 0.50 N
726
+ 84 1 N3 A A 36 ? ? C4 A A 36 ? ? C5 A A 36 ? ? 120.01 126.80 -6.79 0.70 N
727
+ 85 1 C4 A A 36 ? ? C5 A A 36 ? ? C6 A A 36 ? ? 122.21 117.00 5.21 0.50 N
728
+ 86 1 C4 A A 36 ? ? C5 A A 36 ? ? N7 A A 36 ? ? 105.45 110.70 -5.25 0.50 N
729
+ 87 1 C5 A A 36 ? ? N7 A A 36 ? ? C8 A A 36 ? ? 110.00 103.90 6.10 0.50 N
730
+ 88 1 N3 A A 36 ? ? C4 A A 36 ? ? N9 A A 36 ? ? 133.75 127.40 6.35 0.80 N
731
+ 89 1 N1 A A 36 ? ? C6 A A 36 ? ? N6 A A 36 ? ? 122.71 118.60 4.11 0.60 N
732
+ 90 1 OP1 A G 37 ? ? P A G 37 ? ? OP2 A G 37 ? ? 109.24 119.60 -10.36 1.50 N
733
+ 91 1 C2 A G 37 ? ? N3 A G 37 ? ? C4 A G 37 ? ? 120.30 111.90 8.40 0.50 N
734
+ 92 1 N3 A G 37 ? ? C4 A G 37 ? ? C5 A G 37 ? ? 119.29 128.60 -9.31 0.50 N
735
+ 93 1 C5 A G 37 ? ? C6 A G 37 ? ? N1 A G 37 ? ? 115.23 111.50 3.73 0.50 N
736
+ 94 1 C4 A G 37 ? ? C5 A G 37 ? ? N7 A G 37 ? ? 101.13 110.80 -9.67 0.40 N
737
+ 95 1 C5 A G 37 ? ? N7 A G 37 ? ? C8 A G 37 ? ? 109.57 104.30 5.27 0.50 N
738
+ 96 1 N7 A G 37 ? ? C8 A G 37 ? ? N9 A G 37 ? ? 109.52 113.10 -3.58 0.50 N
739
+ 97 1 N9 A G 37 ? ? C4 A G 37 ? ? C5 A G 37 ? ? 111.33 105.40 5.93 0.40 N
740
+ 98 1 C6 A G 37 ? ? C5 A G 37 ? ? N7 A G 37 ? ? 138.55 130.40 8.15 0.60 N
741
+ 99 1 N1 A G 37 ? ? C6 A G 37 ? ? O6 A G 37 ? ? 123.83 119.90 3.93 0.60 N
742
+ 100 1 C5 A G 37 ? ? C6 A G 37 ? ? O6 A G 37 ? ? 120.94 128.60 -7.66 0.60 N
743
+ 101 1 OP1 A A 38 ? ? P A A 38 ? ? OP2 A A 38 ? ? 109.43 119.60 -10.17 1.50 N
744
+ 102 1 N1 A A 38 ? ? C2 A A 38 ? ? N3 A A 38 ? ? 122.78 129.30 -6.52 0.50 N
745
+ 103 1 C2 A A 38 ? ? N3 A A 38 ? ? C4 A A 38 ? ? 117.81 110.60 7.21 0.50 N
746
+ 104 1 N3 A A 38 ? ? C4 A A 38 ? ? C5 A A 38 ? ? 119.87 126.80 -6.93 0.70 N
747
+ 105 1 C4 A A 38 ? ? C5 A A 38 ? ? C6 A A 38 ? ? 122.33 117.00 5.33 0.50 N
748
+ 106 1 C4 A A 38 ? ? C5 A A 38 ? ? N7 A A 38 ? ? 105.38 110.70 -5.32 0.50 N
749
+ 107 1 C5 A A 38 ? ? N7 A A 38 ? ? C8 A A 38 ? ? 109.98 103.90 6.08 0.50 N
750
+ 108 1 N3 A A 38 ? ? C4 A A 38 ? ? N9 A A 38 ? ? 133.82 127.40 6.42 0.80 N
751
+ 109 1 N1 A A 38 ? ? C6 A A 38 ? ? N6 A A 38 ? ? 122.71 118.60 4.11 0.60 N
752
+ 110 1 OP1 A C 40 ? ? P A C 40 ? ? OP2 A C 40 ? ? 109.28 119.60 -10.32 1.50 N
753
+ 111 1 N3 A C 40 ? ? C4 A C 40 ? ? C5 A C 40 ? ? 117.75 121.90 -4.15 0.40 N
754
+ 112 1 N1 A C 40 ? ? C2 A C 40 ? ? O2 A C 40 ? ? 122.53 118.90 3.63 0.60 N
755
+ 113 1 N3 A C 40 ? ? C2 A C 40 ? ? O2 A C 40 ? ? 117.67 121.90 -4.23 0.70 N
756
+ 114 1 N3 A C 40 ? ? C4 A C 40 ? ? N4 A C 40 ? ? 123.04 118.00 5.04 0.70 N
757
+ 115 1 OP1 A U 41 ? ? P A U 41 ? ? OP2 A U 41 ? ? 109.38 119.60 -10.22 1.50 N
758
+ 116 1 N1 A U 41 ? ? C2 A U 41 ? ? N3 A U 41 ? ? 118.74 114.90 3.84 0.60 N
759
+ 117 1 C2 A U 41 ? ? N3 A U 41 ? ? C4 A U 41 ? ? 121.95 127.00 -5.05 0.60 N
760
+ 118 1 C5 A U 41 ? ? C4 A U 41 ? ? O4 A U 41 ? ? 119.16 125.90 -6.74 0.60 N
761
+ 119 1 OP1 A G 42 ? ? P A G 42 ? ? OP2 A G 42 ? ? 109.39 119.60 -10.21 1.50 N
762
+ 120 1 C2 A G 42 ? ? N3 A G 42 ? ? C4 A G 42 ? ? 120.10 111.90 8.20 0.50 N
763
+ 121 1 N3 A G 42 ? ? C4 A G 42 ? ? C5 A G 42 ? ? 119.16 128.60 -9.44 0.50 N
764
+ 122 1 C5 A G 42 ? ? C6 A G 42 ? ? N1 A G 42 ? ? 115.10 111.50 3.60 0.50 N
765
+ 123 1 C4 A G 42 ? ? C5 A G 42 ? ? N7 A G 42 ? ? 101.13 110.80 -9.67 0.40 N
766
+ 124 1 C5 A G 42 ? ? N7 A G 42 ? ? C8 A G 42 ? ? 109.50 104.30 5.20 0.50 N
767
+ 125 1 N7 A G 42 ? ? C8 A G 42 ? ? N9 A G 42 ? ? 109.56 113.10 -3.54 0.50 N
768
+ 126 1 N9 A G 42 ? ? C4 A G 42 ? ? C5 A G 42 ? ? 111.36 105.40 5.96 0.40 N
769
+ 127 1 C6 A G 42 ? ? C5 A G 42 ? ? N7 A G 42 ? ? 138.31 130.40 7.91 0.60 N
770
+ 128 1 N1 A G 42 ? ? C6 A G 42 ? ? O6 A G 42 ? ? 124.19 119.90 4.29 0.60 N
771
+ 129 1 C5 A G 42 ? ? C6 A G 42 ? ? O6 A G 42 ? ? 120.71 128.60 -7.89 0.60 N
772
+ #
773
+ _pdbx_struct_mod_residue.id 1
774
+ _pdbx_struct_mod_residue.label_asym_id A
775
+ _pdbx_struct_mod_residue.label_comp_id PSU
776
+ _pdbx_struct_mod_residue.label_seq_id 14
777
+ _pdbx_struct_mod_residue.auth_asym_id A
778
+ _pdbx_struct_mod_residue.auth_comp_id PSU
779
+ _pdbx_struct_mod_residue.auth_seq_id 39
780
+ _pdbx_struct_mod_residue.PDB_ins_code ?
781
+ _pdbx_struct_mod_residue.parent_comp_id U
782
+ _pdbx_struct_mod_residue.details "PSEUDOURIDINE-5'-MONOPHOSPHATE"
783
+ #
784
+ _em_3d_fitting.id 1
785
+ _em_3d_fitting.entry_id 1LU3
786
+ _em_3d_fitting.ref_protocol OTHER
787
+ _em_3d_fitting.ref_space ?
788
+ _em_3d_fitting.overall_b_value ?
789
+ _em_3d_fitting.target_criteria ?
790
+ _em_3d_fitting.details METHOD--Manual
791
+ _em_3d_fitting.method ?
792
+ #
793
+ _em_3d_fitting_list.id 1
794
+ _em_3d_fitting_list.pdb_entry_id 1TTT
795
+ _em_3d_fitting_list.3d_fitting_id 1
796
+ _em_3d_fitting_list.pdb_chain_id ?
797
+ _em_3d_fitting_list.initial_refinement_model_id 1
798
+ _em_3d_fitting_list.chain_id ?
799
+ _em_3d_fitting_list.chain_residue_range ?
800
+ _em_3d_fitting_list.pdb_chain_residue_range ?
801
+ _em_3d_fitting_list.source_name PDB
802
+ _em_3d_fitting_list.type 'experimental model'
803
+ _em_3d_fitting_list.accession_code 1TTT
804
+ _em_3d_fitting_list.details ?
805
+ #
806
+ _em_3d_reconstruction.entry_id 1LU3
807
+ _em_3d_reconstruction.id 1
808
+ _em_3d_reconstruction.symmetry_type POINT
809
+ _em_3d_reconstruction.num_particles 7985
810
+ _em_3d_reconstruction.image_processing_id 1
811
+ _em_3d_reconstruction.method 'reference based alignment'
812
+ _em_3d_reconstruction.nominal_pixel_size ?
813
+ _em_3d_reconstruction.actual_pixel_size 2.69
814
+ _em_3d_reconstruction.resolution 16.8
815
+ _em_3d_reconstruction.magnification_calibration TMV
816
+ _em_3d_reconstruction.details 'SPIDER package'
817
+ _em_3d_reconstruction.resolution_method ?
818
+ _em_3d_reconstruction.num_class_averages ?
819
+ _em_3d_reconstruction.algorithm ?
820
+ #
821
+ _em_buffer.id 1
822
+ _em_buffer.specimen_id 1
823
+ _em_buffer.name 'Hepes-KOH buffer at pH 7.5'
824
+ _em_buffer.pH 7.5
825
+ _em_buffer.details 'Hepes-KOH buffer at pH 7.5'
826
+ #
827
+ _em_entity_assembly.id 1
828
+ _em_entity_assembly.name 'E.coli 70S ribosome-Ternary complex-GDP-Kirromycin'
829
+ _em_entity_assembly.type RIBOSOME
830
+ _em_entity_assembly.parent_id 0
831
+ _em_entity_assembly.synonym ?
832
+ _em_entity_assembly.details 'E.coli 70S ribosome-Ternary complex-GDP-Kirromycin'
833
+ _em_entity_assembly.oligomeric_details ?
834
+ #
835
+ _em_imaging.entry_id 1LU3
836
+ _em_imaging.id 1
837
+ _em_imaging.microscope_model 'FEI/PHILIPS EM420'
838
+ _em_imaging.specimen_id 1
839
+ _em_imaging.date 2001-03-01
840
+ _em_imaging.temperature 93
841
+ _em_imaging.nominal_defocus_min 1000
842
+ _em_imaging.nominal_defocus_max 3500
843
+ _em_imaging.tilt_angle_min 0
844
+ _em_imaging.tilt_angle_max 0
845
+ _em_imaging.nominal_cs 2
846
+ _em_imaging.mode 'BRIGHT FIELD'
847
+ _em_imaging.illumination_mode 'FLOOD BEAM'
848
+ _em_imaging.nominal_magnification 50000
849
+ _em_imaging.calibrated_magnification 52000
850
+ _em_imaging.electron_source LAB6
851
+ _em_imaging.accelerating_voltage 100
852
+ _em_imaging.details ?
853
+ _em_imaging.specimen_holder_type ?
854
+ _em_imaging.specimen_holder_model ?
855
+ _em_imaging.citation_id ?
856
+ _em_imaging.detector_distance ?
857
+ _em_imaging.recording_temperature_maximum ?
858
+ _em_imaging.recording_temperature_minimum ?
859
+ _em_imaging.astigmatism ?
860
+ _em_imaging.electron_beam_tilt_params ?
861
+ #
862
+ _em_vitrification.entry_id 1LU3
863
+ _em_vitrification.id 1
864
+ _em_vitrification.instrument 'HOMEMADE PLUNGER'
865
+ _em_vitrification.cryogen_name ETHANE
866
+ _em_vitrification.specimen_id 1
867
+ _em_vitrification.details 'Rapid-freezing in liquid ethane'
868
+ _em_vitrification.citation_id ?
869
+ _em_vitrification.humidity ?
870
+ _em_vitrification.method ?
871
+ _em_vitrification.temp ?
872
+ _em_vitrification.time_resolved_state ?
873
+ #
874
+ _em_experiment.entry_id 1LU3
875
+ _em_experiment.id 1
876
+ _em_experiment.aggregation_state PARTICLE
877
+ _em_experiment.entity_assembly_id 1
878
+ _em_experiment.reconstruction_method 'SINGLE PARTICLE'
879
+ #
880
+ _em_single_particle_entity.entry_id 1LU3
881
+ _em_single_particle_entity.id 1
882
+ _em_single_particle_entity.point_symmetry C1
883
+ _em_single_particle_entity.image_processing_id 1
884
+ #
885
+ loop_
886
+ _chem_comp_atom.comp_id
887
+ _chem_comp_atom.atom_id
888
+ _chem_comp_atom.type_symbol
889
+ _chem_comp_atom.pdbx_aromatic_flag
890
+ _chem_comp_atom.pdbx_stereo_config
891
+ _chem_comp_atom.pdbx_ordinal
892
+ A OP3 O N N 1
893
+ A P P N N 2
894
+ A OP1 O N N 3
895
+ A OP2 O N N 4
896
+ A "O5'" O N N 5
897
+ A "C5'" C N N 6
898
+ A "C4'" C N R 7
899
+ A "O4'" O N N 8
900
+ A "C3'" C N S 9
901
+ A "O3'" O N N 10
902
+ A "C2'" C N R 11
903
+ A "O2'" O N N 12
904
+ A "C1'" C N R 13
905
+ A N9 N Y N 14
906
+ A C8 C Y N 15
907
+ A N7 N Y N 16
908
+ A C5 C Y N 17
909
+ A C6 C Y N 18
910
+ A N6 N N N 19
911
+ A N1 N Y N 20
912
+ A C2 C Y N 21
913
+ A N3 N Y N 22
914
+ A C4 C Y N 23
915
+ A HOP3 H N N 24
916
+ A HOP2 H N N 25
917
+ A "H5'" H N N 26
918
+ A "H5''" H N N 27
919
+ A "H4'" H N N 28
920
+ A "H3'" H N N 29
921
+ A "HO3'" H N N 30
922
+ A "H2'" H N N 31
923
+ A "HO2'" H N N 32
924
+ A "H1'" H N N 33
925
+ A H8 H N N 34
926
+ A H61 H N N 35
927
+ A H62 H N N 36
928
+ A H2 H N N 37
929
+ C OP3 O N N 38
930
+ C P P N N 39
931
+ C OP1 O N N 40
932
+ C OP2 O N N 41
933
+ C "O5'" O N N 42
934
+ C "C5'" C N N 43
935
+ C "C4'" C N R 44
936
+ C "O4'" O N N 45
937
+ C "C3'" C N S 46
938
+ C "O3'" O N N 47
939
+ C "C2'" C N R 48
940
+ C "O2'" O N N 49
941
+ C "C1'" C N R 50
942
+ C N1 N N N 51
943
+ C C2 C N N 52
944
+ C O2 O N N 53
945
+ C N3 N N N 54
946
+ C C4 C N N 55
947
+ C N4 N N N 56
948
+ C C5 C N N 57
949
+ C C6 C N N 58
950
+ C HOP3 H N N 59
951
+ C HOP2 H N N 60
952
+ C "H5'" H N N 61
953
+ C "H5''" H N N 62
954
+ C "H4'" H N N 63
955
+ C "H3'" H N N 64
956
+ C "HO3'" H N N 65
957
+ C "H2'" H N N 66
958
+ C "HO2'" H N N 67
959
+ C "H1'" H N N 68
960
+ C H41 H N N 69
961
+ C H42 H N N 70
962
+ C H5 H N N 71
963
+ C H6 H N N 72
964
+ G OP3 O N N 73
965
+ G P P N N 74
966
+ G OP1 O N N 75
967
+ G OP2 O N N 76
968
+ G "O5'" O N N 77
969
+ G "C5'" C N N 78
970
+ G "C4'" C N R 79
971
+ G "O4'" O N N 80
972
+ G "C3'" C N S 81
973
+ G "O3'" O N N 82
974
+ G "C2'" C N R 83
975
+ G "O2'" O N N 84
976
+ G "C1'" C N R 85
977
+ G N9 N Y N 86
978
+ G C8 C Y N 87
979
+ G N7 N Y N 88
980
+ G C5 C Y N 89
981
+ G C6 C N N 90
982
+ G O6 O N N 91
983
+ G N1 N N N 92
984
+ G C2 C N N 93
985
+ G N2 N N N 94
986
+ G N3 N N N 95
987
+ G C4 C Y N 96
988
+ G HOP3 H N N 97
989
+ G HOP2 H N N 98
990
+ G "H5'" H N N 99
991
+ G "H5''" H N N 100
992
+ G "H4'" H N N 101
993
+ G "H3'" H N N 102
994
+ G "HO3'" H N N 103
995
+ G "H2'" H N N 104
996
+ G "HO2'" H N N 105
997
+ G "H1'" H N N 106
998
+ G H8 H N N 107
999
+ G H1 H N N 108
1000
+ G H21 H N N 109
1001
+ G H22 H N N 110
1002
+ PSU N1 N N N 111
1003
+ PSU C2 C N N 112
1004
+ PSU N3 N N N 113
1005
+ PSU C4 C N N 114
1006
+ PSU C5 C N N 115
1007
+ PSU C6 C N N 116
1008
+ PSU O2 O N N 117
1009
+ PSU O4 O N N 118
1010
+ PSU "C1'" C N S 119
1011
+ PSU "C2'" C N R 120
1012
+ PSU "O2'" O N N 121
1013
+ PSU "C3'" C N S 122
1014
+ PSU "C4'" C N R 123
1015
+ PSU "O3'" O N N 124
1016
+ PSU "O4'" O N N 125
1017
+ PSU "C5'" C N N 126
1018
+ PSU "O5'" O N N 127
1019
+ PSU P P N N 128
1020
+ PSU OP1 O N N 129
1021
+ PSU OP2 O N N 130
1022
+ PSU OP3 O N N 131
1023
+ PSU HN1 H N N 132
1024
+ PSU HN3 H N N 133
1025
+ PSU H6 H N N 134
1026
+ PSU "H1'" H N N 135
1027
+ PSU "H2'" H N N 136
1028
+ PSU "HO2'" H N N 137
1029
+ PSU "H3'" H N N 138
1030
+ PSU "H4'" H N N 139
1031
+ PSU "HO3'" H N N 140
1032
+ PSU "H5'" H N N 141
1033
+ PSU "H5''" H N N 142
1034
+ PSU HOP2 H N N 143
1035
+ PSU HOP3 H N N 144
1036
+ U OP3 O N N 145
1037
+ U P P N N 146
1038
+ U OP1 O N N 147
1039
+ U OP2 O N N 148
1040
+ U "O5'" O N N 149
1041
+ U "C5'" C N N 150
1042
+ U "C4'" C N R 151
1043
+ U "O4'" O N N 152
1044
+ U "C3'" C N S 153
1045
+ U "O3'" O N N 154
1046
+ U "C2'" C N R 155
1047
+ U "O2'" O N N 156
1048
+ U "C1'" C N R 157
1049
+ U N1 N N N 158
1050
+ U C2 C N N 159
1051
+ U O2 O N N 160
1052
+ U N3 N N N 161
1053
+ U C4 C N N 162
1054
+ U O4 O N N 163
1055
+ U C5 C N N 164
1056
+ U C6 C N N 165
1057
+ U HOP3 H N N 166
1058
+ U HOP2 H N N 167
1059
+ U "H5'" H N N 168
1060
+ U "H5''" H N N 169
1061
+ U "H4'" H N N 170
1062
+ U "H3'" H N N 171
1063
+ U "HO3'" H N N 172
1064
+ U "H2'" H N N 173
1065
+ U "HO2'" H N N 174
1066
+ U "H1'" H N N 175
1067
+ U H3 H N N 176
1068
+ U H5 H N N 177
1069
+ U H6 H N N 178
1070
+ #
1071
+ loop_
1072
+ _chem_comp_bond.comp_id
1073
+ _chem_comp_bond.atom_id_1
1074
+ _chem_comp_bond.atom_id_2
1075
+ _chem_comp_bond.value_order
1076
+ _chem_comp_bond.pdbx_aromatic_flag
1077
+ _chem_comp_bond.pdbx_stereo_config
1078
+ _chem_comp_bond.pdbx_ordinal
1079
+ A OP3 P sing N N 1
1080
+ A OP3 HOP3 sing N N 2
1081
+ A P OP1 doub N N 3
1082
+ A P OP2 sing N N 4
1083
+ A P "O5'" sing N N 5
1084
+ A OP2 HOP2 sing N N 6
1085
+ A "O5'" "C5'" sing N N 7
1086
+ A "C5'" "C4'" sing N N 8
1087
+ A "C5'" "H5'" sing N N 9
1088
+ A "C5'" "H5''" sing N N 10
1089
+ A "C4'" "O4'" sing N N 11
1090
+ A "C4'" "C3'" sing N N 12
1091
+ A "C4'" "H4'" sing N N 13
1092
+ A "O4'" "C1'" sing N N 14
1093
+ A "C3'" "O3'" sing N N 15
1094
+ A "C3'" "C2'" sing N N 16
1095
+ A "C3'" "H3'" sing N N 17
1096
+ A "O3'" "HO3'" sing N N 18
1097
+ A "C2'" "O2'" sing N N 19
1098
+ A "C2'" "C1'" sing N N 20
1099
+ A "C2'" "H2'" sing N N 21
1100
+ A "O2'" "HO2'" sing N N 22
1101
+ A "C1'" N9 sing N N 23
1102
+ A "C1'" "H1'" sing N N 24
1103
+ A N9 C8 sing Y N 25
1104
+ A N9 C4 sing Y N 26
1105
+ A C8 N7 doub Y N 27
1106
+ A C8 H8 sing N N 28
1107
+ A N7 C5 sing Y N 29
1108
+ A C5 C6 sing Y N 30
1109
+ A C5 C4 doub Y N 31
1110
+ A C6 N6 sing N N 32
1111
+ A C6 N1 doub Y N 33
1112
+ A N6 H61 sing N N 34
1113
+ A N6 H62 sing N N 35
1114
+ A N1 C2 sing Y N 36
1115
+ A C2 N3 doub Y N 37
1116
+ A C2 H2 sing N N 38
1117
+ A N3 C4 sing Y N 39
1118
+ C OP3 P sing N N 40
1119
+ C OP3 HOP3 sing N N 41
1120
+ C P OP1 doub N N 42
1121
+ C P OP2 sing N N 43
1122
+ C P "O5'" sing N N 44
1123
+ C OP2 HOP2 sing N N 45
1124
+ C "O5'" "C5'" sing N N 46
1125
+ C "C5'" "C4'" sing N N 47
1126
+ C "C5'" "H5'" sing N N 48
1127
+ C "C5'" "H5''" sing N N 49
1128
+ C "C4'" "O4'" sing N N 50
1129
+ C "C4'" "C3'" sing N N 51
1130
+ C "C4'" "H4'" sing N N 52
1131
+ C "O4'" "C1'" sing N N 53
1132
+ C "C3'" "O3'" sing N N 54
1133
+ C "C3'" "C2'" sing N N 55
1134
+ C "C3'" "H3'" sing N N 56
1135
+ C "O3'" "HO3'" sing N N 57
1136
+ C "C2'" "O2'" sing N N 58
1137
+ C "C2'" "C1'" sing N N 59
1138
+ C "C2'" "H2'" sing N N 60
1139
+ C "O2'" "HO2'" sing N N 61
1140
+ C "C1'" N1 sing N N 62
1141
+ C "C1'" "H1'" sing N N 63
1142
+ C N1 C2 sing N N 64
1143
+ C N1 C6 sing N N 65
1144
+ C C2 O2 doub N N 66
1145
+ C C2 N3 sing N N 67
1146
+ C N3 C4 doub N N 68
1147
+ C C4 N4 sing N N 69
1148
+ C C4 C5 sing N N 70
1149
+ C N4 H41 sing N N 71
1150
+ C N4 H42 sing N N 72
1151
+ C C5 C6 doub N N 73
1152
+ C C5 H5 sing N N 74
1153
+ C C6 H6 sing N N 75
1154
+ G OP3 P sing N N 76
1155
+ G OP3 HOP3 sing N N 77
1156
+ G P OP1 doub N N 78
1157
+ G P OP2 sing N N 79
1158
+ G P "O5'" sing N N 80
1159
+ G OP2 HOP2 sing N N 81
1160
+ G "O5'" "C5'" sing N N 82
1161
+ G "C5'" "C4'" sing N N 83
1162
+ G "C5'" "H5'" sing N N 84
1163
+ G "C5'" "H5''" sing N N 85
1164
+ G "C4'" "O4'" sing N N 86
1165
+ G "C4'" "C3'" sing N N 87
1166
+ G "C4'" "H4'" sing N N 88
1167
+ G "O4'" "C1'" sing N N 89
1168
+ G "C3'" "O3'" sing N N 90
1169
+ G "C3'" "C2'" sing N N 91
1170
+ G "C3'" "H3'" sing N N 92
1171
+ G "O3'" "HO3'" sing N N 93
1172
+ G "C2'" "O2'" sing N N 94
1173
+ G "C2'" "C1'" sing N N 95
1174
+ G "C2'" "H2'" sing N N 96
1175
+ G "O2'" "HO2'" sing N N 97
1176
+ G "C1'" N9 sing N N 98
1177
+ G "C1'" "H1'" sing N N 99
1178
+ G N9 C8 sing Y N 100
1179
+ G N9 C4 sing Y N 101
1180
+ G C8 N7 doub Y N 102
1181
+ G C8 H8 sing N N 103
1182
+ G N7 C5 sing Y N 104
1183
+ G C5 C6 sing N N 105
1184
+ G C5 C4 doub Y N 106
1185
+ G C6 O6 doub N N 107
1186
+ G C6 N1 sing N N 108
1187
+ G N1 C2 sing N N 109
1188
+ G N1 H1 sing N N 110
1189
+ G C2 N2 sing N N 111
1190
+ G C2 N3 doub N N 112
1191
+ G N2 H21 sing N N 113
1192
+ G N2 H22 sing N N 114
1193
+ G N3 C4 sing N N 115
1194
+ PSU N1 C2 sing N N 116
1195
+ PSU N1 C6 sing N N 117
1196
+ PSU N1 HN1 sing N N 118
1197
+ PSU C2 N3 sing N N 119
1198
+ PSU C2 O2 doub N N 120
1199
+ PSU N3 C4 sing N N 121
1200
+ PSU N3 HN3 sing N N 122
1201
+ PSU C4 C5 sing N N 123
1202
+ PSU C4 O4 doub N N 124
1203
+ PSU C5 C6 doub N N 125
1204
+ PSU C5 "C1'" sing N N 126
1205
+ PSU C6 H6 sing N N 127
1206
+ PSU "C1'" "C2'" sing N N 128
1207
+ PSU "C1'" "O4'" sing N N 129
1208
+ PSU "C1'" "H1'" sing N N 130
1209
+ PSU "C2'" "O2'" sing N N 131
1210
+ PSU "C2'" "C3'" sing N N 132
1211
+ PSU "C2'" "H2'" sing N N 133
1212
+ PSU "O2'" "HO2'" sing N N 134
1213
+ PSU "C3'" "C4'" sing N N 135
1214
+ PSU "C3'" "O3'" sing N N 136
1215
+ PSU "C3'" "H3'" sing N N 137
1216
+ PSU "C4'" "O4'" sing N N 138
1217
+ PSU "C4'" "C5'" sing N N 139
1218
+ PSU "C4'" "H4'" sing N N 140
1219
+ PSU "O3'" "HO3'" sing N N 141
1220
+ PSU "C5'" "O5'" sing N N 142
1221
+ PSU "C5'" "H5'" sing N N 143
1222
+ PSU "C5'" "H5''" sing N N 144
1223
+ PSU "O5'" P sing N N 145
1224
+ PSU P OP1 doub N N 146
1225
+ PSU P OP2 sing N N 147
1226
+ PSU P OP3 sing N N 148
1227
+ PSU OP2 HOP2 sing N N 149
1228
+ PSU OP3 HOP3 sing N N 150
1229
+ U OP3 P sing N N 151
1230
+ U OP3 HOP3 sing N N 152
1231
+ U P OP1 doub N N 153
1232
+ U P OP2 sing N N 154
1233
+ U P "O5'" sing N N 155
1234
+ U OP2 HOP2 sing N N 156
1235
+ U "O5'" "C5'" sing N N 157
1236
+ U "C5'" "C4'" sing N N 158
1237
+ U "C5'" "H5'" sing N N 159
1238
+ U "C5'" "H5''" sing N N 160
1239
+ U "C4'" "O4'" sing N N 161
1240
+ U "C4'" "C3'" sing N N 162
1241
+ U "C4'" "H4'" sing N N 163
1242
+ U "O4'" "C1'" sing N N 164
1243
+ U "C3'" "O3'" sing N N 165
1244
+ U "C3'" "C2'" sing N N 166
1245
+ U "C3'" "H3'" sing N N 167
1246
+ U "O3'" "HO3'" sing N N 168
1247
+ U "C2'" "O2'" sing N N 169
1248
+ U "C2'" "C1'" sing N N 170
1249
+ U "C2'" "H2'" sing N N 171
1250
+ U "O2'" "HO2'" sing N N 172
1251
+ U "C1'" N1 sing N N 173
1252
+ U "C1'" "H1'" sing N N 174
1253
+ U N1 C2 sing N N 175
1254
+ U N1 C6 sing N N 176
1255
+ U C2 O2 doub N N 177
1256
+ U C2 N3 sing N N 178
1257
+ U N3 C4 sing N N 179
1258
+ U N3 H3 sing N N 180
1259
+ U C4 O4 doub N N 181
1260
+ U C4 C5 sing N N 182
1261
+ U C5 C6 doub N N 183
1262
+ U C5 H5 sing N N 184
1263
+ U C6 H6 sing N N 185
1264
+ #
1265
+ _em_ctf_correction.id 1
1266
+ _em_ctf_correction.details 'CTF correction of 3D-maps'
1267
+ _em_ctf_correction.type .
1268
+ #
1269
+ _em_image_processing.id 1
1270
+ _em_image_processing.image_recording_id 1
1271
+ _em_image_processing.details ?
1272
+ #
1273
+ _em_image_recording.details ?
1274
+ _em_image_recording.id 1
1275
+ _em_image_recording.avg_electron_dose_per_image 10
1276
+ _em_image_recording.film_or_detector_model 'KODAK SO-163 FILM'
1277
+ _em_image_recording.imaging_id 1
1278
+ _em_image_recording.detector_mode ?
1279
+ _em_image_recording.average_exposure_time ?
1280
+ _em_image_recording.num_diffraction_images ?
1281
+ _em_image_recording.num_grids_imaged ?
1282
+ _em_image_recording.num_real_images ?
1283
+ #
1284
+ loop_
1285
+ _em_software.id
1286
+ _em_software.name
1287
+ _em_software.version
1288
+ _em_software.category
1289
+ _em_software.details
1290
+ _em_software.image_processing_id
1291
+ 1 O ? 'MODEL FITTING' Manual ?
1292
+ 2 SPIDER ? RECONSTRUCTION ? 1
1293
+ #
1294
+ _em_specimen.experiment_id 1
1295
+ _em_specimen.id 1
1296
+ _em_specimen.concentration ?
1297
+ _em_specimen.vitrification_applied YES
1298
+ _em_specimen.staining_applied NO
1299
+ _em_specimen.embedding_applied NO
1300
+ _em_specimen.shadowing_applied NO
1301
+ _em_specimen.details ?
1302
+ #
1303
+ loop_
1304
+ _ndb_struct_conf_na.entry_id
1305
+ _ndb_struct_conf_na.feature
1306
+ 1LU3 'a-form double helix'
1307
+ 1LU3 'hairpin loop'
1308
+ 1LU3 'mismatched base pair'
1309
+ #
1310
+ loop_
1311
+ _ndb_struct_na_base_pair.model_number
1312
+ _ndb_struct_na_base_pair.i_label_asym_id
1313
+ _ndb_struct_na_base_pair.i_label_comp_id
1314
+ _ndb_struct_na_base_pair.i_label_seq_id
1315
+ _ndb_struct_na_base_pair.i_symmetry
1316
+ _ndb_struct_na_base_pair.j_label_asym_id
1317
+ _ndb_struct_na_base_pair.j_label_comp_id
1318
+ _ndb_struct_na_base_pair.j_label_seq_id
1319
+ _ndb_struct_na_base_pair.j_symmetry
1320
+ _ndb_struct_na_base_pair.shear
1321
+ _ndb_struct_na_base_pair.stretch
1322
+ _ndb_struct_na_base_pair.stagger
1323
+ _ndb_struct_na_base_pair.buckle
1324
+ _ndb_struct_na_base_pair.propeller
1325
+ _ndb_struct_na_base_pair.opening
1326
+ _ndb_struct_na_base_pair.pair_number
1327
+ _ndb_struct_na_base_pair.pair_name
1328
+ _ndb_struct_na_base_pair.i_auth_asym_id
1329
+ _ndb_struct_na_base_pair.i_auth_seq_id
1330
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1331
+ _ndb_struct_na_base_pair.j_auth_asym_id
1332
+ _ndb_struct_na_base_pair.j_auth_seq_id
1333
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1334
+ _ndb_struct_na_base_pair.hbond_type_28
1335
+ _ndb_struct_na_base_pair.hbond_type_12
1336
+ 1 A C 3 1_555 A G 17 1_555 -0.155 -0.336 -1.123 18.124 -5.261 -1.690 1 A_C28:G42_A A 28 ? A 42 ? 19 1
1337
+ 1 A A 4 1_555 A U 16 1_555 0.424 -0.356 -0.944 -11.369 9.170 -9.272 2 A_A29:U41_A A 29 ? A 41 ? 20 1
1338
+ 1 A G 5 1_555 A C 15 1_555 -0.328 -0.183 -0.522 -18.822 -5.476 -9.858 3 A_G30:C40_A A 30 ? A 40 ? 19 1
1339
+ 1 A A 6 1_555 A PSU 14 1_555 1.382 -0.235 -0.303 -11.199 -2.069 -10.542 4 A_A31:PSU39_A A 31 ? A 39 ? 21 1
1340
+ #
1341
+ loop_
1342
+ _ndb_struct_na_base_pair_step.model_number
1343
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1344
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1345
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1346
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1347
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1348
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1349
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1350
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1351
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1352
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1353
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1354
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1355
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1356
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1357
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1358
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1359
+ _ndb_struct_na_base_pair_step.shift
1360
+ _ndb_struct_na_base_pair_step.slide
1361
+ _ndb_struct_na_base_pair_step.rise
1362
+ _ndb_struct_na_base_pair_step.tilt
1363
+ _ndb_struct_na_base_pair_step.roll
1364
+ _ndb_struct_na_base_pair_step.twist
1365
+ _ndb_struct_na_base_pair_step.x_displacement
1366
+ _ndb_struct_na_base_pair_step.y_displacement
1367
+ _ndb_struct_na_base_pair_step.helical_rise
1368
+ _ndb_struct_na_base_pair_step.inclination
1369
+ _ndb_struct_na_base_pair_step.tip
1370
+ _ndb_struct_na_base_pair_step.helical_twist
1371
+ _ndb_struct_na_base_pair_step.step_number
1372
+ _ndb_struct_na_base_pair_step.step_name
1373
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1374
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1375
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1376
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1377
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1378
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1379
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1380
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1381
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1382
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1383
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1384
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1385
+ 1 A C 3 1_555 A G 17 1_555 A A 4 1_555 A U 16 1_555 -0.304 -1.568 4.300 -4.602 13.459 33.490 -4.843 -0.308 3.450 22.156 7.575
1386
+ 36.305 1 AA_C28A29:U41G42_AA A 28 ? A 42 ? A 29 ? A 41 ?
1387
+ 1 A A 4 1_555 A U 16 1_555 A G 5 1_555 A C 15 1_555 -0.096 -2.220 3.468 0.074 4.955 26.379 -6.060 0.225 3.007 10.737 -0.161
1388
+ 26.832 2 AA_A29G30:C40U41_AA A 29 ? A 41 ? A 30 ? A 40 ?
1389
+ 1 A G 5 1_555 A C 15 1_555 A A 6 1_555 A PSU 14 1_555 0.315 -1.474 2.922 2.339 1.905 40.349 -2.320 -0.223 2.866 2.757 -3.385
1390
+ 40.457 3 AA_G30A31:PSU39C40_AA A 30 ? A 40 ? A 31 ? A 39 ?
1391
+ #
1392
+ _pdbx_initial_refinement_model.id 1
1393
+ _pdbx_initial_refinement_model.type 'experimental model'
1394
+ _pdbx_initial_refinement_model.source_name PDB
1395
+ _pdbx_initial_refinement_model.accession_code 1TTT
1396
+ #
1397
+ _pdbx_struct_chem_comp_diagnostics.ordinal 1
1398
+ _pdbx_struct_chem_comp_diagnostics.asym_id A
1399
+ _pdbx_struct_chem_comp_diagnostics.auth_comp_id PSU
1400
+ _pdbx_struct_chem_comp_diagnostics.auth_seq_id 39
1401
+ _pdbx_struct_chem_comp_diagnostics.pdb_ins_code ?
1402
+ _pdbx_struct_chem_comp_diagnostics.pdb_strand_id A
1403
+ _pdbx_struct_chem_comp_diagnostics.seq_num 14
1404
+ _pdbx_struct_chem_comp_diagnostics.type GEOMETRY
1405
+ #
1406
+ _atom_sites.entry_id 1LU3
1407
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
1408
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
1409
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
1410
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1411
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
1412
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1413
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1414
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1415
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
1416
+ _atom_sites.fract_transf_vector[1] 0.00000
1417
+ _atom_sites.fract_transf_vector[2] 0.00000
1418
+ _atom_sites.fract_transf_vector[3] 0.00000
1419
+ #
1420
+ loop_
1421
+ _atom_type.symbol
1422
+ C
1423
+ N
1424
+ O
1425
+ P
1426
+ #
1427
+ loop_
1428
+ _atom_site.group_PDB
1429
+ _atom_site.id
1430
+ _atom_site.type_symbol
1431
+ _atom_site.label_atom_id
1432
+ _atom_site.label_alt_id
1433
+ _atom_site.label_comp_id
1434
+ _atom_site.label_asym_id
1435
+ _atom_site.label_entity_id
1436
+ _atom_site.label_seq_id
1437
+ _atom_site.pdbx_PDB_ins_code
1438
+ _atom_site.Cartn_x
1439
+ _atom_site.Cartn_y
1440
+ _atom_site.Cartn_z
1441
+ _atom_site.occupancy
1442
+ _atom_site.B_iso_or_equiv
1443
+ _atom_site.pdbx_formal_charge
1444
+ _atom_site.auth_seq_id
1445
+ _atom_site.auth_comp_id
1446
+ _atom_site.auth_asym_id
1447
+ _atom_site.auth_atom_id
1448
+ _atom_site.pdbx_PDB_model_num
1449
+ ATOM 1 P P . G A 1 1 ? -44.216 6.557 -12.679 1.00 0.00 ? 26 G A P 1
1450
+ ATOM 2 O OP1 . G A 1 1 ? -45.545 7.032 -13.155 1.00 0.00 ? 26 G A OP1 1
1451
+ ATOM 3 O OP2 . G A 1 1 ? -44.068 6.872 -11.230 1.00 0.00 ? 26 G A OP2 1
1452
+ ATOM 4 O "O5'" . G A 1 1 ? -43.073 7.300 -13.515 1.00 0.00 ? 26 G A "O5'" 1
1453
+ ATOM 5 C "C5'" . G A 1 1 ? -41.681 7.159 -13.220 1.00 0.00 ? 26 G A "C5'" 1
1454
+ ATOM 6 C "C4'" . G A 1 1 ? -40.883 7.757 -14.394 1.00 0.00 ? 26 G A "C4'" 1
1455
+ ATOM 7 O "O4'" . G A 1 1 ? -41.298 7.126 -15.606 1.00 0.00 ? 26 G A "O4'" 1
1456
+ ATOM 8 C "C3'" . G A 1 1 ? -41.306 9.218 -14.602 1.00 0.00 ? 26 G A "C3'" 1
1457
+ ATOM 9 O "O3'" . G A 1 1 ? -40.568 10.092 -13.742 1.00 0.00 ? 26 G A "O3'" 1
1458
+ ATOM 10 C "C2'" . G A 1 1 ? -41.047 9.452 -16.100 1.00 0.00 ? 26 G A "C2'" 1
1459
+ ATOM 11 O "O2'" . G A 1 1 ? -39.750 10.021 -16.300 1.00 0.00 ? 26 G A "O2'" 1
1460
+ ATOM 12 C "C1'" . G A 1 1 ? -41.030 8.025 -16.690 1.00 0.00 ? 26 G A "C1'" 1
1461
+ ATOM 13 N N9 . G A 1 1 ? -42.076 7.897 -17.686 1.00 0.00 ? 26 G A N9 1
1462
+ ATOM 14 C C8 . G A 1 1 ? -43.293 7.487 -17.466 1.00 0.00 ? 26 G A C8 1
1463
+ ATOM 15 N N7 . G A 1 1 ? -43.940 7.484 -18.549 1.00 0.00 ? 26 G A N7 1
1464
+ ATOM 16 C C5 . G A 1 1 ? -43.089 7.930 -19.617 1.00 0.00 ? 26 G A C5 1
1465
+ ATOM 17 C C6 . G A 1 1 ? -43.176 8.160 -21.061 1.00 0.00 ? 26 G A C6 1
1466
+ ATOM 18 O O6 . G A 1 1 ? -44.218 7.960 -21.661 1.00 0.00 ? 26 G A O6 1
1467
+ ATOM 19 N N1 . G A 1 1 ? -42.031 8.600 -21.644 1.00 0.00 ? 26 G A N1 1
1468
+ ATOM 20 C C2 . G A 1 1 ? -40.879 8.818 -20.954 1.00 0.00 ? 26 G A C2 1
1469
+ ATOM 21 N N2 . G A 1 1 ? -39.861 9.235 -21.646 1.00 0.00 ? 26 G A N2 1
1470
+ ATOM 22 N N3 . G A 1 1 ? -40.802 8.622 -19.696 1.00 0.00 ? 26 G A N3 1
1471
+ ATOM 23 C C4 . G A 1 1 ? -41.950 8.154 -18.963 1.00 0.00 ? 26 G A C4 1
1472
+ ATOM 24 P P . C A 1 2 ? -41.021 11.616 -13.574 1.00 0.00 ? 27 C A P 1
1473
+ ATOM 25 O OP1 . C A 1 2 ? -40.169 12.288 -12.553 1.00 0.00 ? 27 C A OP1 1
1474
+ ATOM 26 O OP2 . C A 1 2 ? -42.443 11.650 -13.126 1.00 0.00 ? 27 C A OP2 1
1475
+ ATOM 27 O "O5'" . C A 1 2 ? -40.901 12.387 -14.967 1.00 0.00 ? 27 C A "O5'" 1
1476
+ ATOM 28 C "C5'" . C A 1 2 ? -39.654 12.800 -15.539 1.00 0.00 ? 27 C A "C5'" 1
1477
+ ATOM 29 C "C4'" . C A 1 2 ? -39.957 13.502 -16.878 1.00 0.00 ? 27 C A "C4'" 1
1478
+ ATOM 30 O "O4'" . C A 1 2 ? -40.480 12.537 -17.793 1.00 0.00 ? 27 C A "O4'" 1
1479
+ ATOM 31 C "C3'" . C A 1 2 ? -41.119 14.482 -16.669 1.00 0.00 ? 27 C A "C3'" 1
1480
+ ATOM 32 O "O3'" . C A 1 2 ? -40.639 15.743 -16.194 1.00 0.00 ? 27 C A "O3'" 1
1481
+ ATOM 33 C "C2'" . C A 1 2 ? -41.798 14.537 -18.047 1.00 0.00 ? 27 C A "C2'" 1
1482
+ ATOM 34 O "O2'" . C A 1 2 ? -41.226 15.587 -18.832 1.00 0.00 ? 27 C A "O2'" 1
1483
+ ATOM 35 C "C1'" . C A 1 2 ? -41.388 13.194 -18.691 1.00 0.00 ? 27 C A "C1'" 1
1484
+ ATOM 36 N N1 . C A 1 2 ? -42.547 12.335 -18.876 1.00 0.00 ? 27 C A N1 1
1485
+ ATOM 37 C C2 . C A 1 2 ? -43.213 12.325 -20.048 1.00 0.00 ? 27 C A C2 1
1486
+ ATOM 38 O O2 . C A 1 2 ? -42.899 13.040 -20.986 1.00 0.00 ? 27 C A O2 1
1487
+ ATOM 39 N N3 . C A 1 2 ? -44.342 11.441 -20.226 1.00 0.00 ? 27 C A N3 1
1488
+ ATOM 40 C C4 . C A 1 2 ? -44.729 10.668 -19.294 1.00 0.00 ? 27 C A C4 1
1489
+ ATOM 41 N N4 . C A 1 2 ? -45.729 9.849 -19.423 1.00 0.00 ? 27 C A N4 1
1490
+ ATOM 42 C C5 . C A 1 2 ? -44.000 10.720 -18.013 1.00 0.00 ? 27 C A C5 1
1491
+ ATOM 43 C C6 . C A 1 2 ? -42.954 11.539 -17.861 1.00 0.00 ? 27 C A C6 1
1492
+ ATOM 44 P P . C A 1 3 ? -41.663 16.852 -15.668 1.00 0.00 ? 28 C A P 1
1493
+ ATOM 45 O OP1 . C A 1 3 ? -40.912 17.982 -15.054 1.00 0.00 ? 28 C A OP1 1
1494
+ ATOM 46 O OP2 . C A 1 3 ? -42.562 16.241 -14.649 1.00 0.00 ? 28 C A OP2 1
1495
+ ATOM 47 O "O5'" . C A 1 3 ? -42.544 17.395 -16.886 1.00 0.00 ? 28 C A "O5'" 1
1496
+ ATOM 48 C "C5'" . C A 1 3 ? -41.987 18.239 -17.899 1.00 0.00 ? 28 C A "C5'" 1
1497
+ ATOM 49 C "C4'" . C A 1 3 ? -43.081 18.512 -18.946 1.00 0.00 ? 28 C A "C4'" 1
1498
+ ATOM 50 O "O4'" . C A 1 3 ? -43.402 17.291 -19.618 1.00 0.00 ? 28 C A "O4'" 1
1499
+ ATOM 51 C "C3'" . C A 1 3 ? -44.383 18.902 -18.236 1.00 0.00 ? 28 C A "C3'" 1
1500
+ ATOM 52 O "O3'" . C A 1 3 ? -44.390 20.293 -17.905 1.00 0.00 ? 28 C A "O3'" 1
1501
+ ATOM 53 C "C2'" . C A 1 3 ? -45.450 18.501 -19.266 1.00 0.00 ? 28 C A "C2'" 1
1502
+ ATOM 54 O "O2'" . C A 1 3 ? -45.599 19.555 -20.221 1.00 0.00 ? 28 C A "O2'" 1
1503
+ ATOM 55 C "C1'" . C A 1 3 ? -44.787 17.317 -19.995 1.00 0.00 ? 28 C A "C1'" 1
1504
+ ATOM 56 N N1 . C A 1 3 ? -45.396 16.057 -19.604 1.00 0.00 ? 28 C A N1 1
1505
+ ATOM 57 C C2 . C A 1 3 ? -46.339 15.486 -20.382 1.00 0.00 ? 28 C A C2 1
1506
+ ATOM 58 O O2 . C A 1 3 ? -46.723 15.999 -21.420 1.00 0.00 ? 28 C A O2 1
1507
+ ATOM 59 N N3 . C A 1 3 ? -46.920 14.223 -19.996 1.00 0.00 ? 28 C A N3 1
1508
+ ATOM 60 C C4 . C A 1 3 ? -46.569 13.630 -18.929 1.00 0.00 ? 28 C A C4 1
1509
+ ATOM 61 N N4 . C A 1 3 ? -47.069 12.490 -18.556 1.00 0.00 ? 28 C A N4 1
1510
+ ATOM 62 C C5 . C A 1 3 ? -45.547 14.282 -18.088 1.00 0.00 ? 28 C A C5 1
1511
+ ATOM 63 C C6 . C A 1 3 ? -45.012 15.453 -18.456 1.00 0.00 ? 28 C A C6 1
1512
+ ATOM 64 P P . A A 1 4 ? -45.550 20.915 -16.997 1.00 0.00 ? 29 A A P 1
1513
+ ATOM 65 O OP1 . A A 1 4 ? -45.249 22.346 -16.707 1.00 0.00 ? 29 A A OP1 1
1514
+ ATOM 66 O OP2 . A A 1 4 ? -45.628 20.158 -15.717 1.00 0.00 ? 29 A A OP2 1
1515
+ ATOM 67 O "O5'" . A A 1 4 ? -46.951 20.804 -17.761 1.00 0.00 ? 29 A A "O5'" 1
1516
+ ATOM 68 C "C5'" . A A 1 4 ? -47.207 21.576 -18.939 1.00 0.00 ? 29 A A "C5'" 1
1517
+ ATOM 69 C "C4'" . A A 1 4 ? -48.474 21.025 -19.615 1.00 0.00 ? 29 A A "C4'" 1
1518
+ ATOM 70 O "O4'" . A A 1 4 ? -48.297 19.635 -19.893 1.00 0.00 ? 29 A A "O4'" 1
1519
+ ATOM 71 C "C3'" . A A 1 4 ? -49.651 21.033 -18.631 1.00 0.00 ? 29 A A "C3'" 1
1520
+ ATOM 72 O "O3'" . A A 1 4 ? -50.250 22.330 -18.554 1.00 0.00 ? 29 A A "O3'" 1
1521
+ ATOM 73 C "C2'" . A A 1 4 ? -50.573 19.957 -19.229 1.00 0.00 ? 29 A A "C2'" 1
1522
+ ATOM 74 O "O2'" . A A 1 4 ? -51.397 20.540 -20.243 1.00 0.00 ? 29 A A "O2'" 1
1523
+ ATOM 75 C "C1'" . A A 1 4 ? -49.588 19.013 -19.948 1.00 0.00 ? 29 A A "C1'" 1
1524
+ ATOM 76 N N9 . A A 1 4 ? -49.534 17.740 -19.250 1.00 0.00 ? 29 A A N9 1
1525
+ ATOM 77 C C8 . A A 1 4 ? -48.517 17.262 -18.585 1.00 0.00 ? 29 A A C8 1
1526
+ ATOM 78 N N7 . A A 1 4 ? -48.800 16.140 -18.068 1.00 0.00 ? 29 A A N7 1
1527
+ ATOM 79 C C5 . A A 1 4 ? -50.062 15.805 -18.369 1.00 0.00 ? 29 A A C5 1
1528
+ ATOM 80 C C6 . A A 1 4 ? -50.841 14.704 -18.031 1.00 0.00 ? 29 A A C6 1
1529
+ ATOM 81 N N6 . A A 1 4 ? -50.366 13.722 -17.236 1.00 0.00 ? 29 A A N6 1
1530
+ ATOM 82 N N1 . A A 1 4 ? -52.090 14.691 -18.552 1.00 0.00 ? 29 A A N1 1
1531
+ ATOM 83 C C2 . A A 1 4 ? -52.545 15.696 -19.340 1.00 0.00 ? 29 A A C2 1
1532
+ ATOM 84 N N3 . A A 1 4 ? -51.795 16.784 -19.643 1.00 0.00 ? 29 A A N3 1
1533
+ ATOM 85 C C4 . A A 1 4 ? -50.542 16.839 -19.156 1.00 0.00 ? 29 A A C4 1
1534
+ ATOM 86 P P . G A 1 5 ? -51.400 22.655 -17.490 1.00 0.00 ? 30 G A P 1
1535
+ ATOM 87 O OP1 . G A 1 5 ? -51.751 24.101 -17.556 1.00 0.00 ? 30 G A OP1 1
1536
+ ATOM 88 O OP2 . G A 1 5 ? -50.911 22.325 -16.123 1.00 0.00 ? 30 G A OP2 1
1537
+ ATOM 89 O "O5'" . G A 1 5 ? -52.697 21.778 -17.811 1.00 0.00 ? 30 G A "O5'" 1
1538
+ ATOM 90 C "C5'" . G A 1 5 ? -53.441 21.956 -19.019 1.00 0.00 ? 30 G A "C5'" 1
1539
+ ATOM 91 C "C4'" . G A 1 5 ? -54.457 20.806 -19.129 1.00 0.00 ? 30 G A "C4'" 1
1540
+ ATOM 92 O "O4'" . G A 1 5 ? -53.782 19.559 -18.951 1.00 0.00 ? 30 G A "O4'" 1
1541
+ ATOM 93 C "C3'" . G A 1 5 ? -55.409 20.861 -17.926 1.00 0.00 ? 30 G A "C3'" 1
1542
+ ATOM 94 O "O3'" . G A 1 5 ? -56.472 21.788 -18.171 1.00 0.00 ? 30 G A "O3'" 1
1543
+ ATOM 95 C "C2'" . G A 1 5 ? -55.875 19.400 -17.796 1.00 0.00 ? 30 G A "C2'" 1
1544
+ ATOM 96 O "O2'" . G A 1 5 ? -57.035 19.187 -18.601 1.00 0.00 ? 30 G A "O2'" 1
1545
+ ATOM 97 C "C1'" . G A 1 5 ? -54.726 18.602 -18.451 1.00 0.00 ? 30 G A "C1'" 1
1546
+ ATOM 98 N N9 . G A 1 5 ? -54.074 17.749 -17.473 1.00 0.00 ? 30 G A N9 1
1547
+ ATOM 99 C C8 . G A 1 5 ? -52.873 17.918 -16.998 1.00 0.00 ? 30 G A C8 1
1548
+ ATOM 100 N N7 . G A 1 5 ? -52.609 16.997 -16.177 1.00 0.00 ? 30 G A N7 1
1549
+ ATOM 101 C C5 . G A 1 5 ? -53.735 16.111 -16.075 1.00 0.00 ? 30 G A C5 1
1550
+ ATOM 102 C C6 . G A 1 5 ? -54.102 14.895 -15.348 1.00 0.00 ? 30 G A C6 1
1551
+ ATOM 103 O O6 . G A 1 5 ? -53.322 14.386 -14.562 1.00 0.00 ? 30 G A O6 1
1552
+ ATOM 104 N N1 . G A 1 5 ? -55.342 14.414 -15.615 1.00 0.00 ? 30 G A N1 1
1553
+ ATOM 105 C C2 . G A 1 5 ? -56.197 15.009 -16.490 1.00 0.00 ? 30 G A C2 1
1554
+ ATOM 106 N N2 . G A 1 5 ? -57.353 14.436 -16.645 1.00 0.00 ? 30 G A N2 1
1555
+ ATOM 107 N N3 . G A 1 5 ? -55.880 16.069 -17.124 1.00 0.00 ? 30 G A N3 1
1556
+ ATOM 108 C C4 . G A 1 5 ? -54.588 16.675 -16.928 1.00 0.00 ? 30 G A C4 1
1557
+ ATOM 109 P P . A A 1 6 ? -57.441 22.260 -16.989 1.00 0.00 ? 31 A A P 1
1558
+ ATOM 110 O OP1 . A A 1 6 ? -58.457 23.211 -17.521 1.00 0.00 ? 31 A A OP1 1
1559
+ ATOM 111 O OP2 . A A 1 6 ? -56.631 22.935 -15.936 1.00 0.00 ? 31 A A OP2 1
1560
+ ATOM 112 O "O5'" . A A 1 6 ? -58.171 20.991 -16.353 1.00 0.00 ? 31 A A "O5'" 1
1561
+ ATOM 113 C "C5'" . A A 1 6 ? -59.127 20.232 -17.099 1.00 0.00 ? 31 A A "C5'" 1
1562
+ ATOM 114 C "C4'" . A A 1 6 ? -59.409 18.930 -16.332 1.00 0.00 ? 31 A A "C4'" 1
1563
+ ATOM 115 O "O4'" . A A 1 6 ? -58.190 18.213 -16.129 1.00 0.00 ? 31 A A "O4'" 1
1564
+ ATOM 116 C "C3'" . A A 1 6 ? -59.830 19.264 -14.896 1.00 0.00 ? 31 A A "C3'" 1
1565
+ ATOM 117 O "O3'" . A A 1 6 ? -61.219 19.592 -14.817 1.00 0.00 ? 31 A A "O3'" 1
1566
+ ATOM 118 C "C2'" . A A 1 6 ? -59.451 17.987 -14.121 1.00 0.00 ? 31 A A "C2'" 1
1567
+ ATOM 119 O "O2'" . A A 1 6 ? -60.571 17.100 -14.051 1.00 0.00 ? 31 A A "O2'" 1
1568
+ ATOM 120 C "C1'" . A A 1 6 ? -58.399 17.320 -15.029 1.00 0.00 ? 31 A A "C1'" 1
1569
+ ATOM 121 N N9 . A A 1 6 ? -57.167 17.119 -14.293 1.00 0.00 ? 31 A A N9 1
1570
+ ATOM 122 C C8 . A A 1 6 ? -56.143 17.931 -14.249 1.00 0.00 ? 31 A A C8 1
1571
+ ATOM 123 N N7 . A A 1 6 ? -55.220 17.454 -13.522 1.00 0.00 ? 31 A A N7 1
1572
+ ATOM 124 C C5 . A A 1 6 ? -55.592 16.263 -13.034 1.00 0.00 ? 31 A A C5 1
1573
+ ATOM 125 C C6 . A A 1 6 ? -54.950 15.352 -12.202 1.00 0.00 ? 31 A A C6 1
1574
+ ATOM 126 N N6 . A A 1 6 ? -53.719 15.596 -11.703 1.00 0.00 ? 31 A A N6 1
1575
+ ATOM 127 N N1 . A A 1 6 ? -55.639 14.222 -11.932 1.00 0.00 ? 31 A A N1 1
1576
+ ATOM 128 C C2 . A A 1 6 ? -56.878 14.003 -12.439 1.00 0.00 ? 31 A A C2 1
1577
+ ATOM 129 N N3 . A A 1 6 ? -57.508 14.895 -13.240 1.00 0.00 ? 31 A A N3 1
1578
+ ATOM 130 C C4 . A A 1 6 ? -56.861 16.035 -13.541 1.00 0.00 ? 31 A A C4 1
1579
+ ATOM 131 P P . C A 1 7 ? -61.768 20.361 -13.526 1.00 0.00 ? 32 C A P 1
1580
+ ATOM 132 O OP1 . C A 1 7 ? -63.252 20.471 -13.594 1.00 0.00 ? 32 C A OP1 1
1581
+ ATOM 133 O OP2 . C A 1 7 ? -61.169 21.723 -13.486 1.00 0.00 ? 32 C A OP2 1
1582
+ ATOM 134 O "O5'" . C A 1 7 ? -61.341 19.571 -12.204 1.00 0.00 ? 32 C A "O5'" 1
1583
+ ATOM 135 C "C5'" . C A 1 7 ? -61.874 18.286 -11.883 1.00 0.00 ? 32 C A "C5'" 1
1584
+ ATOM 136 C "C4'" . C A 1 7 ? -61.061 17.698 -10.715 1.00 0.00 ? 32 C A "C4'" 1
1585
+ ATOM 137 O "O4'" . C A 1 7 ? -59.684 17.597 -11.080 1.00 0.00 ? 32 C A "O4'" 1
1586
+ ATOM 138 C "C3'" . C A 1 7 ? -61.016 18.707 -9.560 1.00 0.00 ? 32 C A "C3'" 1
1587
+ ATOM 139 O "O3'" . C A 1 7 ? -62.207 18.650 -8.769 1.00 0.00 ? 32 C A "O3'" 1
1588
+ ATOM 140 C "C2'" . C A 1 7 ? -59.739 18.305 -8.802 1.00 0.00 ? 32 C A "C2'" 1
1589
+ ATOM 141 O "O2'" . C A 1 7 ? -60.052 17.370 -7.768 1.00 0.00 ? 32 C A "O2'" 1
1590
+ ATOM 142 C "C1'" . C A 1 7 ? -58.919 17.549 -9.869 1.00 0.00 ? 32 C A "C1'" 1
1591
+ ATOM 143 N N1 . C A 1 7 ? -57.603 18.147 -10.037 1.00 0.00 ? 32 C A N1 1
1592
+ ATOM 144 C C2 . C A 1 7 ? -56.660 17.991 -9.085 1.00 0.00 ? 32 C A C2 1
1593
+ ATOM 145 O O2 . C A 1 7 ? -56.860 17.359 -8.062 1.00 0.00 ? 32 C A O2 1
1594
+ ATOM 146 N N3 . C A 1 7 ? -55.359 18.595 -9.258 1.00 0.00 ? 32 C A N3 1
1595
+ ATOM 147 C C4 . C A 1 7 ? -55.075 19.277 -10.291 1.00 0.00 ? 32 C A C4 1
1596
+ ATOM 148 N N4 . C A 1 7 ? -53.913 19.829 -10.475 1.00 0.00 ? 32 C A N4 1
1597
+ ATOM 149 C C5 . C A 1 7 ? -56.128 19.437 -11.312 1.00 0.00 ? 32 C A C5 1
1598
+ ATOM 150 C C6 . C A 1 7 ? -57.331 18.874 -11.146 1.00 0.00 ? 32 C A C6 1
1599
+ ATOM 151 P P . U A 1 8 ? -62.475 19.774 -7.663 1.00 0.00 ? 33 U A P 1
1600
+ ATOM 152 O OP1 . U A 1 8 ? -63.826 19.584 -7.065 1.00 0.00 ? 33 U A OP1 1
1601
+ ATOM 153 O OP2 . U A 1 8 ? -62.403 21.115 -8.306 1.00 0.00 ? 33 U A OP2 1
1602
+ ATOM 154 O "O5'" . U A 1 8 ? -61.363 19.685 -6.520 1.00 0.00 ? 33 U A "O5'" 1
1603
+ ATOM 155 C "C5'" . U A 1 8 ? -61.322 18.630 -5.553 1.00 0.00 ? 33 U A "C5'" 1
1604
+ ATOM 156 C "C4'" . U A 1 8 ? -60.066 18.827 -4.686 1.00 0.00 ? 33 U A "C4'" 1
1605
+ ATOM 157 O "O4'" . U A 1 8 ? -58.902 18.578 -5.481 1.00 0.00 ? 33 U A "O4'" 1
1606
+ ATOM 158 C "C3'" . U A 1 8 ? -59.959 20.308 -4.301 1.00 0.00 ? 33 U A "C3'" 1
1607
+ ATOM 159 O "O3'" . U A 1 8 ? -60.740 20.584 -3.134 1.00 0.00 ? 33 U A "O3'" 1
1608
+ ATOM 160 C "C2'" . U A 1 8 ? -58.448 20.495 -4.095 1.00 0.00 ? 33 U A "C2'" 1
1609
+ ATOM 161 O "O2'" . U A 1 8 ? -58.108 20.165 -2.747 1.00 0.00 ? 33 U A "O2'" 1
1610
+ ATOM 162 C "C1'" . U A 1 8 ? -57.838 19.432 -5.036 1.00 0.00 ? 33 U A "C1'" 1
1611
+ ATOM 163 N N1 . U A 1 8 ? -57.235 20.090 -6.187 1.00 0.00 ? 33 U A N1 1
1612
+ ATOM 164 C C2 . U A 1 8 ? -55.943 20.486 -6.115 1.00 0.00 ? 33 U A C2 1
1613
+ ATOM 165 O O2 . U A 1 8 ? -55.255 20.247 -5.136 1.00 0.00 ? 33 U A O2 1
1614
+ ATOM 166 N N3 . U A 1 8 ? -55.414 21.162 -7.155 1.00 0.00 ? 33 U A N3 1
1615
+ ATOM 167 C C4 . U A 1 8 ? -56.126 21.445 -8.261 1.00 0.00 ? 33 U A C4 1
1616
+ ATOM 168 O O4 . U A 1 8 ? -55.659 22.074 -9.197 1.00 0.00 ? 33 U A O4 1
1617
+ ATOM 169 C C5 . U A 1 8 ? -57.515 20.970 -8.331 1.00 0.00 ? 33 U A C5 1
1618
+ ATOM 170 C C6 . U A 1 8 ? -58.004 20.314 -7.277 1.00 0.00 ? 33 U A C6 1
1619
+ ATOM 171 P P . G A 1 9 ? -61.281 22.060 -2.834 1.00 0.00 ? 34 G A P 1
1620
+ ATOM 172 O OP1 . G A 1 9 ? -62.059 22.054 -1.565 1.00 0.00 ? 34 G A OP1 1
1621
+ ATOM 173 O OP2 . G A 1 9 ? -62.167 22.479 -3.958 1.00 0.00 ? 34 G A OP2 1
1622
+ ATOM 174 O "O5'" . G A 1 9 ? -60.068 23.091 -2.708 1.00 0.00 ? 34 G A "O5'" 1
1623
+ ATOM 175 C "C5'" . G A 1 9 ? -60.297 24.505 -2.645 1.00 0.00 ? 34 G A "C5'" 1
1624
+ ATOM 176 C "C4'" . G A 1 9 ? -58.941 25.237 -2.651 1.00 0.00 ? 34 G A "C4'" 1
1625
+ ATOM 177 O "O4'" . G A 1 9 ? -58.327 25.114 -1.364 1.00 0.00 ? 34 G A "O4'" 1
1626
+ ATOM 178 C "C3'" . G A 1 9 ? -57.984 24.489 -3.584 1.00 0.00 ? 34 G A "C3'" 1
1627
+ ATOM 179 O "O3'" . G A 1 9 ? -58.155 24.883 -4.947 1.00 0.00 ? 34 G A "O3'" 1
1628
+ ATOM 180 C "C2'" . G A 1 9 ? -56.605 24.845 -3.018 1.00 0.00 ? 34 G A "C2'" 1
1629
+ ATOM 181 O "O2'" . G A 1 9 ? -56.142 26.067 -3.598 1.00 0.00 ? 34 G A "O2'" 1
1630
+ ATOM 182 C "C1'" . G A 1 9 ? -56.900 25.091 -1.526 1.00 0.00 ? 34 G A "C1'" 1
1631
+ ATOM 183 N N9 . G A 1 9 ? -56.387 23.967 -0.764 1.00 0.00 ? 34 G A N9 1
1632
+ ATOM 184 C C8 . G A 1 9 ? -57.035 22.869 -0.500 1.00 0.00 ? 34 G A C8 1
1633
+ ATOM 185 N N7 . G A 1 9 ? -56.312 22.108 0.200 1.00 0.00 ? 34 G A N7 1
1634
+ ATOM 186 C C5 . G A 1 9 ? -55.047 22.741 0.444 1.00 0.00 ? 34 G A C5 1
1635
+ ATOM 187 C C6 . G A 1 9 ? -53.795 22.444 1.143 1.00 0.00 ? 34 G A C6 1
1636
+ ATOM 188 O O6 . G A 1 9 ? -53.645 21.374 1.709 1.00 0.00 ? 34 G A O6 1
1637
+ ATOM 189 N N1 . G A 1 9 ? -52.858 23.425 1.100 1.00 0.00 ? 34 G A N1 1
1638
+ ATOM 190 C C2 . G A 1 9 ? -53.047 24.600 0.435 1.00 0.00 ? 34 G A C2 1
1639
+ ATOM 191 N N2 . G A 1 9 ? -52.069 25.453 0.476 1.00 0.00 ? 34 G A N2 1
1640
+ ATOM 192 N N3 . G A 1 9 ? -54.132 24.854 -0.190 1.00 0.00 ? 34 G A N3 1
1641
+ ATOM 193 C C4 . G A 1 9 ? -55.207 23.895 -0.200 1.00 0.00 ? 34 G A C4 1
1642
+ ATOM 194 P P . A A 1 10 ? -57.613 23.870 -6.057 1.00 0.00 ? 35 A A P 1
1643
+ ATOM 195 O OP1 . A A 1 10 ? -57.731 24.468 -7.416 1.00 0.00 ? 35 A A OP1 1
1644
+ ATOM 196 O OP2 . A A 1 10 ? -58.463 22.649 -5.978 1.00 0.00 ? 35 A A OP2 1
1645
+ ATOM 197 O "O5'" . A A 1 10 ? -56.088 23.507 -5.747 1.00 0.00 ? 35 A A "O5'" 1
1646
+ ATOM 198 C "C5'" . A A 1 10 ? -55.076 24.501 -5.931 1.00 0.00 ? 35 A A "C5'" 1
1647
+ ATOM 199 C "C4'" . A A 1 10 ? -53.805 24.096 -5.160 1.00 0.00 ? 35 A A "C4'" 1
1648
+ ATOM 200 O "O4'" . A A 1 10 ? -54.095 23.934 -3.769 1.00 0.00 ? 35 A A "O4'" 1
1649
+ ATOM 201 C "C3'" . A A 1 10 ? -53.282 22.722 -5.598 1.00 0.00 ? 35 A A "C3'" 1
1650
+ ATOM 202 O "O3'" . A A 1 10 ? -52.531 22.818 -6.813 1.00 0.00 ? 35 A A "O3'" 1
1651
+ ATOM 203 C "C2'" . A A 1 10 ? -52.403 22.361 -4.392 1.00 0.00 ? 35 A A "C2'" 1
1652
+ ATOM 204 O "O2'" . A A 1 10 ? -51.160 23.064 -4.483 1.00 0.00 ? 35 A A "O2'" 1
1653
+ ATOM 205 C "C1'" . A A 1 10 ? -53.177 22.979 -3.211 1.00 0.00 ? 35 A A "C1'" 1
1654
+ ATOM 206 N N9 . A A 1 10 ? -53.921 21.916 -2.564 1.00 0.00 ? 35 A A N9 1
1655
+ ATOM 207 C C8 . A A 1 10 ? -55.189 21.645 -2.728 1.00 0.00 ? 35 A A C8 1
1656
+ ATOM 208 N N7 . A A 1 10 ? -55.529 20.643 -2.031 1.00 0.00 ? 35 A A N7 1
1657
+ ATOM 209 C C5 . A A 1 10 ? -54.478 20.187 -1.340 1.00 0.00 ? 35 A A C5 1
1658
+ ATOM 210 C C6 . A A 1 10 ? -54.336 19.127 -0.450 1.00 0.00 ? 35 A A C6 1
1659
+ ATOM 211 N N6 . A A 1 10 ? -55.378 18.330 -0.131 1.00 0.00 ? 35 A A N6 1
1660
+ ATOM 212 N N1 . A A 1 10 ? -53.099 18.958 0.066 1.00 0.00 ? 35 A A N1 1
1661
+ ATOM 213 C C2 . A A 1 10 ? -52.071 19.780 -0.267 1.00 0.00 ? 35 A A C2 1
1662
+ ATOM 214 N N3 . A A 1 10 ? -52.212 20.813 -1.133 1.00 0.00 ? 35 A A N3 1
1663
+ ATOM 215 C C4 . A A 1 10 ? -53.425 21.018 -1.681 1.00 0.00 ? 35 A A C4 1
1664
+ ATOM 216 P P . A A 1 11 ? -51.887 21.530 -7.519 1.00 0.00 ? 36 A A P 1
1665
+ ATOM 217 O OP1 . A A 1 11 ? -51.147 21.951 -8.740 1.00 0.00 ? 36 A A OP1 1
1666
+ ATOM 218 O OP2 . A A 1 11 ? -52.961 20.571 -7.904 1.00 0.00 ? 36 A A OP2 1
1667
+ ATOM 219 O "O5'" . A A 1 11 ? -50.889 20.791 -6.513 1.00 0.00 ? 36 A A "O5'" 1
1668
+ ATOM 220 C "C5'" . A A 1 11 ? -49.647 21.360 -6.092 1.00 0.00 ? 36 A A "C5'" 1
1669
+ ATOM 221 C "C4'" . A A 1 11 ? -49.126 20.540 -4.900 1.00 0.00 ? 36 A A "C4'" 1
1670
+ ATOM 222 O "O4'" . A A 1 11 ? -50.157 20.444 -3.912 1.00 0.00 ? 36 A A "O4'" 1
1671
+ ATOM 223 C "C3'" . A A 1 11 ? -48.908 19.082 -5.327 1.00 0.00 ? 36 A A "C3'" 1
1672
+ ATOM 224 O "O3'" . A A 1 11 ? -47.625 18.906 -5.935 1.00 0.00 ? 36 A A "O3'" 1
1673
+ ATOM 225 C "C2'" . A A 1 11 ? -49.034 18.334 -3.992 1.00 0.00 ? 36 A A "C2'" 1
1674
+ ATOM 226 O "O2'" . A A 1 11 ? -47.763 18.253 -3.342 1.00 0.00 ? 36 A A "O2'" 1
1675
+ ATOM 227 C "C1'" . A A 1 11 ? -49.958 19.240 -3.157 1.00 0.00 ? 36 A A "C1'" 1
1676
+ ATOM 228 N N9 . A A 1 11 ? -51.226 18.554 -2.998 1.00 0.00 ? 36 A A N9 1
1677
+ ATOM 229 C C8 . A A 1 11 ? -52.369 18.884 -3.541 1.00 0.00 ? 36 A A C8 1
1678
+ ATOM 230 N N7 . A A 1 11 ? -53.281 18.070 -3.203 1.00 0.00 ? 36 A A N7 1
1679
+ ATOM 231 C C5 . A A 1 11 ? -52.777 17.126 -2.399 1.00 0.00 ? 36 A A C5 1
1680
+ ATOM 232 C C6 . A A 1 11 ? -53.351 16.025 -1.772 1.00 0.00 ? 36 A A C6 1
1681
+ ATOM 233 N N6 . A A 1 11 ? -54.667 15.747 -1.887 1.00 0.00 ? 36 A A N6 1
1682
+ ATOM 234 N N1 . A A 1 11 ? -52.503 15.260 -1.048 1.00 0.00 ? 36 A A N1 1
1683
+ ATOM 235 C C2 . A A 1 11 ? -51.189 15.574 -0.916 1.00 0.00 ? 36 A A C2 1
1684
+ ATOM 236 N N3 . A A 1 11 ? -50.636 16.658 -1.508 1.00 0.00 ? 36 A A N3 1
1685
+ ATOM 237 C C4 . A A 1 11 ? -51.433 17.436 -2.263 1.00 0.00 ? 36 A A C4 1
1686
+ ATOM 238 P P . G A 1 12 ? -47.217 17.555 -6.692 1.00 0.00 ? 37 G A P 1
1687
+ ATOM 239 O OP1 . G A 1 12 ? -45.798 17.662 -7.132 1.00 0.00 ? 37 G A OP1 1
1688
+ ATOM 240 O OP2 . G A 1 12 ? -48.089 17.383 -7.886 1.00 0.00 ? 37 G A OP2 1
1689
+ ATOM 241 O "O5'" . G A 1 12 ? -47.373 16.277 -5.742 1.00 0.00 ? 37 G A "O5'" 1
1690
+ ATOM 242 C "C5'" . G A 1 12 ? -48.649 15.832 -5.281 1.00 0.00 ? 37 G A "C5'" 1
1691
+ ATOM 243 C "C4'" . G A 1 12 ? -48.474 14.469 -4.591 1.00 0.00 ? 37 G A "C4'" 1
1692
+ ATOM 244 O "O4'" . G A 1 12 ? -49.235 14.383 -3.378 1.00 0.00 ? 37 G A "O4'" 1
1693
+ ATOM 245 C "C3'" . G A 1 12 ? -48.991 13.372 -5.535 1.00 0.00 ? 37 G A "C3'" 1
1694
+ ATOM 246 O "O3'" . G A 1 12 ? -47.914 12.743 -6.234 1.00 0.00 ? 37 G A "O3'" 1
1695
+ ATOM 247 C "C2'" . G A 1 12 ? -49.740 12.414 -4.599 1.00 0.00 ? 37 G A "C2'" 1
1696
+ ATOM 248 O "O2'" . G A 1 12 ? -48.817 11.513 -3.981 1.00 0.00 ? 37 G A "O2'" 1
1697
+ ATOM 249 C "C1'" . G A 1 12 ? -50.261 13.389 -3.528 1.00 0.00 ? 37 G A "C1'" 1
1698
+ ATOM 250 N N9 . G A 1 12 ? -51.506 13.963 -4.000 1.00 0.00 ? 37 G A N9 1
1699
+ ATOM 251 C C8 . G A 1 12 ? -51.653 15.099 -4.620 1.00 0.00 ? 37 G A C8 1
1700
+ ATOM 252 N N7 . G A 1 12 ? -52.874 15.285 -4.875 1.00 0.00 ? 37 G A N7 1
1701
+ ATOM 253 C C5 . G A 1 12 ? -53.643 14.177 -4.381 1.00 0.00 ? 37 G A C5 1
1702
+ ATOM 254 C C6 . G A 1 12 ? -55.043 13.747 -4.331 1.00 0.00 ? 37 G A C6 1
1703
+ ATOM 255 O O6 . G A 1 12 ? -55.927 14.432 -4.817 1.00 0.00 ? 37 G A O6 1
1704
+ ATOM 256 N N1 . G A 1 12 ? -55.261 12.555 -3.717 1.00 0.00 ? 37 G A N1 1
1705
+ ATOM 257 C C2 . G A 1 12 ? -54.261 11.800 -3.181 1.00 0.00 ? 37 G A C2 1
1706
+ ATOM 258 N N2 . G A 1 12 ? -54.618 10.683 -2.622 1.00 0.00 ? 37 G A N2 1
1707
+ ATOM 259 N N3 . G A 1 12 ? -53.044 12.171 -3.225 1.00 0.00 ? 37 G A N3 1
1708
+ ATOM 260 C C4 . G A 1 12 ? -52.687 13.417 -3.850 1.00 0.00 ? 37 G A C4 1
1709
+ ATOM 261 P P . A A 1 13 ? -48.224 11.793 -7.484 1.00 0.00 ? 38 A A P 1
1710
+ ATOM 262 O OP1 . A A 1 13 ? -46.956 11.197 -7.992 1.00 0.00 ? 38 A A OP1 1
1711
+ ATOM 263 O OP2 . A A 1 13 ? -48.856 12.606 -8.561 1.00 0.00 ? 38 A A OP2 1
1712
+ ATOM 264 O "O5'" . A A 1 13 ? -49.235 10.634 -7.053 1.00 0.00 ? 38 A A "O5'" 1
1713
+ ATOM 265 C "C5'" . A A 1 13 ? -48.863 9.574 -6.169 1.00 0.00 ? 38 A A "C5'" 1
1714
+ ATOM 266 C "C4'" . A A 1 13 ? -50.135 8.784 -5.810 1.00 0.00 ? 38 A A "C4'" 1
1715
+ ATOM 267 O "O4'" . A A 1 13 ? -51.041 9.658 -5.123 1.00 0.00 ? 38 A A "O4'" 1
1716
+ ATOM 268 C "C3'" . A A 1 13 ? -50.857 8.363 -7.097 1.00 0.00 ? 38 A A "C3'" 1
1717
+ ATOM 269 O "O3'" . A A 1 13 ? -50.385 7.094 -7.558 1.00 0.00 ? 38 A A "O3'" 1
1718
+ ATOM 270 C "C2'" . A A 1 13 ? -52.325 8.313 -6.654 1.00 0.00 ? 38 A A "C2'" 1
1719
+ ATOM 271 O "O2'" . A A 1 13 ? -52.612 7.046 -6.053 1.00 0.00 ? 38 A A "O2'" 1
1720
+ ATOM 272 C "C1'" . A A 1 13 ? -52.384 9.390 -5.554 1.00 0.00 ? 38 A A "C1'" 1
1721
+ ATOM 273 N N9 . A A 1 13 ? -52.954 10.592 -6.132 1.00 0.00 ? 38 A A N9 1
1722
+ ATOM 274 C C8 . A A 1 13 ? -52.320 11.700 -6.415 1.00 0.00 ? 38 A A C8 1
1723
+ ATOM 275 N N7 . A A 1 13 ? -53.111 12.559 -6.911 1.00 0.00 ? 38 A A N7 1
1724
+ ATOM 276 C C5 . A A 1 13 ? -54.349 12.052 -6.986 1.00 0.00 ? 38 A A C5 1
1725
+ ATOM 277 C C6 . A A 1 13 ? -55.549 12.578 -7.453 1.00 0.00 ? 38 A A C6 1
1726
+ ATOM 278 N N6 . A A 1 13 ? -55.630 13.832 -7.947 1.00 0.00 ? 38 A A N6 1
1727
+ ATOM 279 N N1 . A A 1 13 ? -56.617 11.750 -7.381 1.00 0.00 ? 38 A A N1 1
1728
+ ATOM 280 C C2 . A A 1 13 ? -56.511 10.494 -6.879 1.00 0.00 ? 38 A A C2 1
1729
+ ATOM 281 N N3 . A A 1 13 ? -55.345 9.986 -6.415 1.00 0.00 ? 38 A A N3 1
1730
+ ATOM 282 C C4 . A A 1 13 ? -54.252 10.768 -6.474 1.00 0.00 ? 38 A A C4 1
1731
+ HETATM 283 N N1 . PSU A 1 14 ? -53.384 10.983 -9.651 1.00 0.00 ? 39 PSU A N1 1
1732
+ HETATM 284 C C2 . PSU A 1 14 ? -54.091 11.986 -10.215 1.00 0.00 ? 39 PSU A C2 1
1733
+ HETATM 285 N N3 . PSU A 1 14 ? -55.375 11.768 -10.568 1.00 0.00 ? 39 PSU A N3 1
1734
+ HETATM 286 C C4 . PSU A 1 14 ? -55.971 10.576 -10.367 1.00 0.00 ? 39 PSU A C4 1
1735
+ HETATM 287 C C5 . PSU A 1 14 ? -55.189 9.508 -9.725 1.00 0.00 ? 39 PSU A C5 1
1736
+ HETATM 288 C C6 . PSU A 1 14 ? -53.916 9.769 -9.406 1.00 0.00 ? 39 PSU A C6 1
1737
+ HETATM 289 O O2 . PSU A 1 14 ? -53.572 13.074 -10.399 1.00 0.00 ? 39 PSU A O2 1
1738
+ HETATM 290 O O4 . PSU A 1 14 ? -57.126 10.363 -10.699 1.00 0.00 ? 39 PSU A O4 1
1739
+ HETATM 291 C "C1'" . PSU A 1 14 ? -55.795 8.163 -9.435 1.00 0.00 ? 39 PSU A "C1'" 1
1740
+ HETATM 292 C "C2'" . PSU A 1 14 ? -55.856 7.335 -10.731 1.00 0.00 ? 39 PSU A "C2'" 1
1741
+ HETATM 293 O "O2'" . PSU A 1 14 ? -57.147 6.723 -10.797 1.00 0.00 ? 39 PSU A "O2'" 1
1742
+ HETATM 294 C "C3'" . PSU A 1 14 ? -54.778 6.263 -10.510 1.00 0.00 ? 39 PSU A "C3'" 1
1743
+ HETATM 295 C "C4'" . PSU A 1 14 ? -54.714 6.142 -8.979 1.00 0.00 ? 39 PSU A "C4'" 1
1744
+ HETATM 296 O "O3'" . PSU A 1 14 ? -55.093 5.003 -11.110 1.00 0.00 ? 39 PSU A "O3'" 1
1745
+ HETATM 297 O "O4'" . PSU A 1 14 ? -54.955 7.470 -8.501 1.00 0.00 ? 39 PSU A "O4'" 1
1746
+ HETATM 298 C "C5'" . PSU A 1 14 ? -53.290 5.726 -8.568 1.00 0.00 ? 39 PSU A "C5'" 1
1747
+ HETATM 299 O "O5'" . PSU A 1 14 ? -52.373 6.617 -9.210 1.00 0.00 ? 39 PSU A "O5'" 1
1748
+ HETATM 300 P P . PSU A 1 14 ? -50.787 6.569 -9.014 1.00 0.00 ? 39 PSU A P 1
1749
+ HETATM 301 O OP1 . PSU A 1 14 ? -50.299 5.175 -9.204 1.00 0.00 ? 39 PSU A OP1 1
1750
+ HETATM 302 O OP2 . PSU A 1 14 ? -50.156 7.455 -10.034 1.00 0.00 ? 39 PSU A OP2 1
1751
+ ATOM 303 P P . C A 1 15 ? -54.999 4.816 -12.696 1.00 0.00 ? 40 C A P 1
1752
+ ATOM 304 O OP1 . C A 1 15 ? -55.278 3.397 -13.053 1.00 0.00 ? 40 C A OP1 1
1753
+ ATOM 305 O OP2 . C A 1 15 ? -53.623 5.175 -13.144 1.00 0.00 ? 40 C A OP2 1
1754
+ ATOM 306 O "O5'" . C A 1 15 ? -56.051 5.771 -13.428 1.00 0.00 ? 40 C A "O5'" 1
1755
+ ATOM 307 C "C5'" . C A 1 15 ? -57.462 5.532 -13.400 1.00 0.00 ? 40 C A "C5'" 1
1756
+ ATOM 308 C "C4'" . C A 1 15 ? -58.162 6.707 -14.106 1.00 0.00 ? 40 C A "C4'" 1
1757
+ ATOM 309 O "O4'" . C A 1 15 ? -57.895 7.911 -13.379 1.00 0.00 ? 40 C A "O4'" 1
1758
+ ATOM 310 C "C3'" . C A 1 15 ? -57.512 6.940 -15.475 1.00 0.00 ? 40 C A "C3'" 1
1759
+ ATOM 311 O "O3'" . C A 1 15 ? -58.086 6.083 -16.467 1.00 0.00 ? 40 C A "O3'" 1
1760
+ ATOM 312 C "C2'" . C A 1 15 ? -57.779 8.433 -15.726 1.00 0.00 ? 40 C A "C2'" 1
1761
+ ATOM 313 O "O2'" . C A 1 15 ? -59.071 8.599 -16.316 1.00 0.00 ? 40 C A "O2'" 1
1762
+ ATOM 314 C "C1'" . C A 1 15 ? -57.853 9.014 -14.301 1.00 0.00 ? 40 C A "C1'" 1
1763
+ ATOM 315 N N1 . C A 1 15 ? -56.675 9.823 -14.027 1.00 0.00 ? 40 C A N1 1
1764
+ ATOM 316 C C2 . C A 1 15 ? -56.641 11.122 -14.389 1.00 0.00 ? 40 C A C2 1
1765
+ ATOM 317 O O2 . C A 1 15 ? -57.571 11.669 -14.957 1.00 0.00 ? 40 C A O2 1
1766
+ ATOM 318 N N3 . C A 1 15 ? -55.468 11.916 -14.105 1.00 0.00 ? 40 C A N3 1
1767
+ ATOM 319 C C4 . C A 1 15 ? -54.457 11.416 -13.520 1.00 0.00 ? 40 C A C4 1
1768
+ ATOM 320 N N4 . C A 1 15 ? -53.391 12.103 -13.236 1.00 0.00 ? 40 C A N4 1
1769
+ ATOM 321 C C5 . C A 1 15 ? -54.512 9.989 -13.154 1.00 0.00 ? 40 C A C5 1
1770
+ ATOM 322 C C6 . C A 1 15 ? -55.605 9.263 -13.421 1.00 0.00 ? 40 C A C6 1
1771
+ ATOM 323 P P . U A 1 16 ? -57.440 5.983 -17.926 1.00 0.00 ? 41 U A P 1
1772
+ ATOM 324 O OP1 . U A 1 16 ? -58.203 5.005 -18.751 1.00 0.00 ? 41 U A OP1 1
1773
+ ATOM 325 O OP2 . U A 1 16 ? -56.024 5.528 -17.802 1.00 0.00 ? 41 U A OP2 1
1774
+ ATOM 326 O "O5'" . U A 1 16 ? -57.465 7.416 -18.633 1.00 0.00 ? 41 U A "O5'" 1
1775
+ ATOM 327 C "C5'" . U A 1 16 ? -58.689 8.038 -19.036 1.00 0.00 ? 41 U A "C5'" 1
1776
+ ATOM 328 C "C4'" . U A 1 16 ? -58.364 9.454 -19.542 1.00 0.00 ? 41 U A "C4'" 1
1777
+ ATOM 329 O "O4'" . U A 1 16 ? -57.731 10.203 -18.503 1.00 0.00 ? 41 U A "O4'" 1
1778
+ ATOM 330 C "C3'" . U A 1 16 ? -57.268 9.372 -20.614 1.00 0.00 ? 41 U A "C3'" 1
1779
+ ATOM 331 O "O3'" . U A 1 16 ? -57.828 9.047 -21.890 1.00 0.00 ? 41 U A "O3'" 1
1780
+ ATOM 332 C "C2'" . U A 1 16 ? -56.610 10.761 -20.543 1.00 0.00 ? 41 U A "C2'" 1
1781
+ ATOM 333 O "O2'" . U A 1 16 ? -57.253 11.650 -21.458 1.00 0.00 ? 41 U A "O2'" 1
1782
+ ATOM 334 C "C1'" . U A 1 16 ? -56.958 11.243 -19.120 1.00 0.00 ? 41 U A "C1'" 1
1783
+ ATOM 335 N N1 . U A 1 16 ? -55.759 11.526 -18.345 1.00 0.00 ? 41 U A N1 1
1784
+ ATOM 336 C C2 . U A 1 16 ? -55.132 12.714 -18.515 1.00 0.00 ? 41 U A C2 1
1785
+ ATOM 337 O O2 . U A 1 16 ? -55.551 13.550 -19.300 1.00 0.00 ? 41 U A O2 1
1786
+ ATOM 338 N N3 . U A 1 16 ? -54.018 12.969 -17.796 1.00 0.00 ? 41 U A N3 1
1787
+ ATOM 339 C C4 . U A 1 16 ? -53.514 12.077 -16.923 1.00 0.00 ? 41 U A C4 1
1788
+ ATOM 340 O O4 . U A 1 16 ? -52.513 12.296 -16.262 1.00 0.00 ? 41 U A O4 1
1789
+ ATOM 341 C C5 . U A 1 16 ? -54.208 10.791 -16.767 1.00 0.00 ? 41 U A C5 1
1790
+ ATOM 342 C C6 . U A 1 16 ? -55.306 10.579 -17.495 1.00 0.00 ? 41 U A C6 1
1791
+ ATOM 343 P P . G A 1 17 ? -56.884 8.676 -23.128 1.00 0.00 ? 42 G A P 1
1792
+ ATOM 344 O OP1 . G A 1 17 ? -57.717 8.204 -24.268 1.00 0.00 ? 42 G A OP1 1
1793
+ ATOM 345 O OP2 . G A 1 17 ? -55.946 7.593 -22.719 1.00 0.00 ? 42 G A OP2 1
1794
+ ATOM 346 O "O5'" . G A 1 17 ? -56.045 9.960 -23.574 1.00 0.00 ? 42 G A "O5'" 1
1795
+ ATOM 347 C "C5'" . G A 1 17 ? -56.682 11.068 -24.213 1.00 0.00 ? 42 G A "C5'" 1
1796
+ ATOM 348 C "C4'" . G A 1 17 ? -55.661 12.211 -24.351 1.00 0.00 ? 42 G A "C4'" 1
1797
+ ATOM 349 O "O4'" . G A 1 17 ? -55.240 12.636 -23.052 1.00 0.00 ? 42 G A "O4'" 1
1798
+ ATOM 350 C "C3'" . G A 1 17 ? -54.367 11.690 -24.987 1.00 0.00 ? 42 G A "C3'" 1
1799
+ ATOM 351 O "O3'" . G A 1 17 ? -54.485 11.594 -26.410 1.00 0.00 ? 42 G A "O3'" 1
1800
+ ATOM 352 C "C2'" . G A 1 17 ? -53.343 12.734 -24.518 1.00 0.00 ? 42 G A "C2'" 1
1801
+ ATOM 353 O "O2'" . G A 1 17 ? -53.386 13.872 -25.382 1.00 0.00 ? 42 G A "O2'" 1
1802
+ ATOM 354 C "C1'" . G A 1 17 ? -53.910 13.169 -23.151 1.00 0.00 ? 42 G A "C1'" 1
1803
+ ATOM 355 N N9 . G A 1 17 ? -53.088 12.587 -22.106 1.00 0.00 ? 42 G A N9 1
1804
+ ATOM 356 C C8 . G A 1 17 ? -53.371 11.524 -21.409 1.00 0.00 ? 42 G A C8 1
1805
+ ATOM 357 N N7 . G A 1 17 ? -52.438 11.294 -20.592 1.00 0.00 ? 42 G A N7 1
1806
+ ATOM 358 C C5 . G A 1 17 ? -51.415 12.292 -20.739 1.00 0.00 ? 42 G A C5 1
1807
+ ATOM 359 C C6 . G A 1 17 ? -50.114 12.619 -20.152 1.00 0.00 ? 42 G A C6 1
1808
+ ATOM 360 O O6 . G A 1 17 ? -49.630 11.917 -19.282 1.00 0.00 ? 42 G A O6 1
1809
+ ATOM 361 N N1 . G A 1 17 ? -49.520 13.733 -20.652 1.00 0.00 ? 42 G A N1 1
1810
+ ATOM 362 C C2 . G A 1 17 ? -50.073 14.497 -21.633 1.00 0.00 ? 42 G A C2 1
1811
+ ATOM 363 N N2 . G A 1 17 ? -49.393 15.538 -22.008 1.00 0.00 ? 42 G A N2 1
1812
+ ATOM 364 N N3 . G A 1 17 ? -51.200 14.207 -22.157 1.00 0.00 ? 42 G A N3 1
1813
+ ATOM 365 C C4 . G A 1 17 ? -51.932 13.050 -21.704 1.00 0.00 ? 42 G A C4 1
1814
+ #
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