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structures/1efo.cif ADDED
@@ -0,0 +1,1537 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1EFO
2
+ #
3
+ _entry.id 1EFO
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.385
7
+ _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8
+ #
9
+ loop_
10
+ _database_2.database_id
11
+ _database_2.database_code
12
+ _database_2.pdbx_database_accession
13
+ _database_2.pdbx_DOI
14
+ PDB 1EFO pdb_00001efo 10.2210/pdb1efo/pdb
15
+ NDB AH0010 ? ?
16
+ RCSB RCSB010531 ? ?
17
+ WWPDB D_1000010531 ? ?
18
+ #
19
+ loop_
20
+ _pdbx_audit_revision_history.ordinal
21
+ _pdbx_audit_revision_history.data_content_type
22
+ _pdbx_audit_revision_history.major_revision
23
+ _pdbx_audit_revision_history.minor_revision
24
+ _pdbx_audit_revision_history.revision_date
25
+ 1 'Structure model' 1 0 2000-05-29
26
+ 2 'Structure model' 1 1 2008-04-27
27
+ 3 'Structure model' 1 2 2011-07-13
28
+ 4 'Structure model' 1 3 2017-10-04
29
+ 5 'Structure model' 1 4 2024-02-07
30
+ #
31
+ _pdbx_audit_revision_details.ordinal 1
32
+ _pdbx_audit_revision_details.revision_ordinal 1
33
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
34
+ _pdbx_audit_revision_details.provider repository
35
+ _pdbx_audit_revision_details.type 'Initial release'
36
+ _pdbx_audit_revision_details.description ?
37
+ _pdbx_audit_revision_details.details ?
38
+ #
39
+ loop_
40
+ _pdbx_audit_revision_group.ordinal
41
+ _pdbx_audit_revision_group.revision_ordinal
42
+ _pdbx_audit_revision_group.data_content_type
43
+ _pdbx_audit_revision_group.group
44
+ 1 2 'Structure model' 'Version format compliance'
45
+ 2 3 'Structure model' 'Version format compliance'
46
+ 3 4 'Structure model' 'Refinement description'
47
+ 4 5 'Structure model' 'Data collection'
48
+ 5 5 'Structure model' 'Database references'
49
+ #
50
+ loop_
51
+ _pdbx_audit_revision_category.ordinal
52
+ _pdbx_audit_revision_category.revision_ordinal
53
+ _pdbx_audit_revision_category.data_content_type
54
+ _pdbx_audit_revision_category.category
55
+ 1 4 'Structure model' software
56
+ 2 5 'Structure model' chem_comp_atom
57
+ 3 5 'Structure model' chem_comp_bond
58
+ 4 5 'Structure model' database_2
59
+ #
60
+ loop_
61
+ _pdbx_audit_revision_item.ordinal
62
+ _pdbx_audit_revision_item.revision_ordinal
63
+ _pdbx_audit_revision_item.data_content_type
64
+ _pdbx_audit_revision_item.item
65
+ 1 5 'Structure model' '_database_2.pdbx_DOI'
66
+ 2 5 'Structure model' '_database_2.pdbx_database_accession'
67
+ #
68
+ _pdbx_database_status.status_code REL
69
+ _pdbx_database_status.entry_id 1EFO
70
+ _pdbx_database_status.recvd_initial_deposition_date 2000-02-09
71
+ _pdbx_database_status.deposit_site RCSB
72
+ _pdbx_database_status.process_site RCSB
73
+ _pdbx_database_status.status_code_sf REL
74
+ _pdbx_database_status.SG_entry .
75
+ _pdbx_database_status.status_code_mr ?
76
+ _pdbx_database_status.pdb_format_compatible Y
77
+ _pdbx_database_status.status_code_cs ?
78
+ _pdbx_database_status.methods_development_category ?
79
+ _pdbx_database_status.status_code_nmr_data ?
80
+ #
81
+ loop_
82
+ _audit_author.name
83
+ _audit_author.pdbx_ordinal
84
+ 'Sudarsanakumar, C.' 1
85
+ 'Xiong, Y.' 2
86
+ 'Sundaralingam, M.' 3
87
+ #
88
+ _citation.id primary
89
+ _citation.title
90
+ 'Crystal structure of an adenine bulge in the RNA chain of a DNA.RNA hybrid, d(CTCCTCTTC).r(gaagagagag).'
91
+ _citation.journal_abbrev J.Mol.Biol.
92
+ _citation.journal_volume 299
93
+ _citation.page_first 103
94
+ _citation.page_last 112
95
+ _citation.year 2000
96
+ _citation.journal_id_ASTM JMOBAK
97
+ _citation.country UK
98
+ _citation.journal_id_ISSN 0022-2836
99
+ _citation.journal_id_CSD 0070
100
+ _citation.book_publisher ?
101
+ _citation.pdbx_database_id_PubMed 10860725
102
+ _citation.pdbx_database_id_DOI 10.1006/jmbi.2000.3730
103
+ #
104
+ loop_
105
+ _citation_author.citation_id
106
+ _citation_author.name
107
+ _citation_author.ordinal
108
+ _citation_author.identifier_ORCID
109
+ primary 'Sudarsanakumar, C.' 1 ?
110
+ primary 'Xiong, Y.' 2 ?
111
+ primary 'Sundaralingam, M.' 3 ?
112
+ #
113
+ loop_
114
+ _entity.id
115
+ _entity.type
116
+ _entity.src_method
117
+ _entity.pdbx_description
118
+ _entity.formula_weight
119
+ _entity.pdbx_number_of_molecules
120
+ _entity.pdbx_ec
121
+ _entity.pdbx_mutation
122
+ _entity.pdbx_fragment
123
+ _entity.details
124
+ 1 polymer syn
125
+ ;DNA (5'-D(*CP*TP*CP*CP*TP*CP*TP*TP*C)-3')
126
+ ;
127
+ 2617.723 1 ? ? ? ?
128
+ 2 polymer syn
129
+ ;RNA (5'-R(*GP*AP*AP*GP*AP*GP*AP*GP*AP*G)-3')
130
+ ;
131
+ 3327.100 1 ? ? ? ?
132
+ 3 water nat water 18.015 23 ? ? ? ?
133
+ #
134
+ loop_
135
+ _entity_poly.entity_id
136
+ _entity_poly.type
137
+ _entity_poly.nstd_linkage
138
+ _entity_poly.nstd_monomer
139
+ _entity_poly.pdbx_seq_one_letter_code
140
+ _entity_poly.pdbx_seq_one_letter_code_can
141
+ _entity_poly.pdbx_strand_id
142
+ _entity_poly.pdbx_target_identifier
143
+ 1 polydeoxyribonucleotide no no '(DC)(DT)(DC)(DC)(DT)(DC)(DT)(DT)(DC)' CTCCTCTTC A ?
144
+ 2 polyribonucleotide no no GAAGAGAGAG GAAGAGAGAG B ?
145
+ #
146
+ _pdbx_entity_nonpoly.entity_id 3
147
+ _pdbx_entity_nonpoly.name water
148
+ _pdbx_entity_nonpoly.comp_id HOH
149
+ #
150
+ loop_
151
+ _entity_poly_seq.entity_id
152
+ _entity_poly_seq.num
153
+ _entity_poly_seq.mon_id
154
+ _entity_poly_seq.hetero
155
+ 1 1 DC n
156
+ 1 2 DT n
157
+ 1 3 DC n
158
+ 1 4 DC n
159
+ 1 5 DT n
160
+ 1 6 DC n
161
+ 1 7 DT n
162
+ 1 8 DT n
163
+ 1 9 DC n
164
+ 2 1 G n
165
+ 2 2 A n
166
+ 2 3 A n
167
+ 2 4 G n
168
+ 2 5 A n
169
+ 2 6 G n
170
+ 2 7 A n
171
+ 2 8 G n
172
+ 2 9 A n
173
+ 2 10 G n
174
+ #
175
+ loop_
176
+ _chem_comp.id
177
+ _chem_comp.type
178
+ _chem_comp.mon_nstd_flag
179
+ _chem_comp.name
180
+ _chem_comp.pdbx_synonyms
181
+ _chem_comp.formula
182
+ _chem_comp.formula_weight
183
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
184
+ DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
185
+ DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208
186
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
187
+ HOH non-polymer . WATER ? 'H2 O' 18.015
188
+ #
189
+ loop_
190
+ _pdbx_poly_seq_scheme.asym_id
191
+ _pdbx_poly_seq_scheme.entity_id
192
+ _pdbx_poly_seq_scheme.seq_id
193
+ _pdbx_poly_seq_scheme.mon_id
194
+ _pdbx_poly_seq_scheme.ndb_seq_num
195
+ _pdbx_poly_seq_scheme.pdb_seq_num
196
+ _pdbx_poly_seq_scheme.auth_seq_num
197
+ _pdbx_poly_seq_scheme.pdb_mon_id
198
+ _pdbx_poly_seq_scheme.auth_mon_id
199
+ _pdbx_poly_seq_scheme.pdb_strand_id
200
+ _pdbx_poly_seq_scheme.pdb_ins_code
201
+ _pdbx_poly_seq_scheme.hetero
202
+ A 1 1 DC 1 1 1 DC C A . n
203
+ A 1 2 DT 2 2 2 DT T A . n
204
+ A 1 3 DC 3 3 3 DC C A . n
205
+ A 1 4 DC 4 4 4 DC C A . n
206
+ A 1 5 DT 5 5 5 DT T A . n
207
+ A 1 6 DC 6 6 6 DC C A . n
208
+ A 1 7 DT 7 7 7 DT T A . n
209
+ A 1 8 DT 8 8 8 DT T A . n
210
+ A 1 9 DC 9 9 9 DC C A . n
211
+ B 2 1 G 1 10 10 G G B . n
212
+ B 2 2 A 2 11 11 A A B . n
213
+ B 2 3 A 3 12 12 A A B . n
214
+ B 2 4 G 4 13 13 G G B . n
215
+ B 2 5 A 5 14 14 A A B . n
216
+ B 2 6 G 6 15 15 G G B . n
217
+ B 2 7 A 7 16 16 A A B . n
218
+ B 2 8 G 8 17 17 G G B . n
219
+ B 2 9 A 9 18 18 A A B . n
220
+ B 2 10 G 10 19 19 G G B . n
221
+ #
222
+ loop_
223
+ _pdbx_nonpoly_scheme.asym_id
224
+ _pdbx_nonpoly_scheme.entity_id
225
+ _pdbx_nonpoly_scheme.mon_id
226
+ _pdbx_nonpoly_scheme.ndb_seq_num
227
+ _pdbx_nonpoly_scheme.pdb_seq_num
228
+ _pdbx_nonpoly_scheme.auth_seq_num
229
+ _pdbx_nonpoly_scheme.pdb_mon_id
230
+ _pdbx_nonpoly_scheme.auth_mon_id
231
+ _pdbx_nonpoly_scheme.pdb_strand_id
232
+ _pdbx_nonpoly_scheme.pdb_ins_code
233
+ C 3 HOH 1 103 103 HOH WAT A .
234
+ C 3 HOH 2 106 106 HOH WAT A .
235
+ C 3 HOH 3 113 113 HOH WAT A .
236
+ C 3 HOH 4 117 117 HOH WAT A .
237
+ C 3 HOH 5 118 118 HOH WAT A .
238
+ C 3 HOH 6 120 120 HOH WAT A .
239
+ C 3 HOH 7 121 121 HOH WAT A .
240
+ D 3 HOH 1 101 101 HOH WAT B .
241
+ D 3 HOH 2 102 102 HOH WAT B .
242
+ D 3 HOH 3 104 104 HOH WAT B .
243
+ D 3 HOH 4 105 105 HOH WAT B .
244
+ D 3 HOH 5 107 107 HOH WAT B .
245
+ D 3 HOH 6 108 108 HOH WAT B .
246
+ D 3 HOH 7 109 109 HOH WAT B .
247
+ D 3 HOH 8 110 110 HOH WAT B .
248
+ D 3 HOH 9 111 111 HOH WAT B .
249
+ D 3 HOH 10 112 112 HOH WAT B .
250
+ D 3 HOH 11 114 114 HOH WAT B .
251
+ D 3 HOH 12 115 115 HOH WAT B .
252
+ D 3 HOH 13 116 116 HOH WAT B .
253
+ D 3 HOH 14 119 119 HOH WAT B .
254
+ D 3 HOH 15 122 122 HOH WAT B .
255
+ D 3 HOH 16 123 123 HOH WAT B .
256
+ #
257
+ loop_
258
+ _software.name
259
+ _software.classification
260
+ _software.version
261
+ _software.citation_id
262
+ _software.pdbx_ordinal
263
+ AMoRE phasing . ? 1
264
+ CNS refinement . ? 2
265
+ SCALEPACK 'data scaling' . ? 3
266
+ #
267
+ _cell.entry_id 1EFO
268
+ _cell.length_a 46.66
269
+ _cell.length_b 47.61
270
+ _cell.length_c 54.04
271
+ _cell.angle_alpha 90.0
272
+ _cell.angle_beta 90.0
273
+ _cell.angle_gamma 90.0
274
+ _cell.Z_PDB 8
275
+ _cell.pdbx_unique_axis ?
276
+ _cell.length_a_esd ?
277
+ _cell.length_b_esd ?
278
+ _cell.length_c_esd ?
279
+ _cell.angle_alpha_esd ?
280
+ _cell.angle_beta_esd ?
281
+ _cell.angle_gamma_esd ?
282
+ #
283
+ _symmetry.entry_id 1EFO
284
+ _symmetry.space_group_name_H-M 'I 2 2 2'
285
+ _symmetry.pdbx_full_space_group_name_H-M ?
286
+ _symmetry.cell_setting orthorhombic
287
+ _symmetry.Int_Tables_number 23
288
+ _symmetry.space_group_name_Hall ?
289
+ #
290
+ _exptl.entry_id 1EFO
291
+ _exptl.method 'X-RAY DIFFRACTION'
292
+ _exptl.crystals_number 1
293
+ #
294
+ _exptl_crystal.id 1
295
+ _exptl_crystal.density_meas ?
296
+ _exptl_crystal.density_percent_sol 50.62
297
+ _exptl_crystal.density_Matthews 2.49
298
+ _exptl_crystal.description ?
299
+ _exptl_crystal.F_000 ?
300
+ _exptl_crystal.preparation ?
301
+ #
302
+ _exptl_crystal_grow.crystal_id 1
303
+ _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
304
+ _exptl_crystal_grow.temp 293
305
+ _exptl_crystal_grow.temp_details ?
306
+ _exptl_crystal_grow.pH 6.0
307
+ _exptl_crystal_grow.pdbx_details
308
+ 'MPD, LITHIUM CHLORIDE, SPERMINE TETRACHLORIDE, CACODYLATE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K'
309
+ _exptl_crystal_grow.pdbx_pH_range ?
310
+ #
311
+ loop_
312
+ _exptl_crystal_grow_comp.crystal_id
313
+ _exptl_crystal_grow_comp.id
314
+ _exptl_crystal_grow_comp.sol_id
315
+ _exptl_crystal_grow_comp.name
316
+ _exptl_crystal_grow_comp.volume
317
+ _exptl_crystal_grow_comp.conc
318
+ _exptl_crystal_grow_comp.details
319
+ 1 1 1 'SPERMINE TETRACHLORIDE' ? ? ?
320
+ 1 2 1 CACODYLATE ? ? ?
321
+ 1 3 1 LICL ? ? ?
322
+ 1 4 1 MPD ? ? ?
323
+ 1 5 2 LICL ? ? ?
324
+ 1 6 2 MPD ? ? ?
325
+ #
326
+ _diffrn.id 1
327
+ _diffrn.ambient_temp 297
328
+ _diffrn.ambient_temp_details ?
329
+ _diffrn.crystal_id 1
330
+ #
331
+ _diffrn_detector.diffrn_id 1
332
+ _diffrn_detector.detector 'IMAGE PLATE'
333
+ _diffrn_detector.type 'RIGAKU RAXIS IIC'
334
+ _diffrn_detector.pdbx_collection_date 1999-07-22
335
+ _diffrn_detector.details ?
336
+ #
337
+ _diffrn_radiation.diffrn_id 1
338
+ _diffrn_radiation.wavelength_id 1
339
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
340
+ _diffrn_radiation.monochromator ?
341
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
342
+ _diffrn_radiation.pdbx_scattering_type x-ray
343
+ #
344
+ _diffrn_radiation_wavelength.id 1
345
+ _diffrn_radiation_wavelength.wavelength 1.5418
346
+ _diffrn_radiation_wavelength.wt 1.0
347
+ #
348
+ _diffrn_source.diffrn_id 1
349
+ _diffrn_source.source 'ROTATING ANODE'
350
+ _diffrn_source.type RIGAKU
351
+ _diffrn_source.pdbx_synchrotron_site ?
352
+ _diffrn_source.pdbx_synchrotron_beamline ?
353
+ _diffrn_source.pdbx_wavelength 1.5418
354
+ _diffrn_source.pdbx_wavelength_list ?
355
+ #
356
+ _reflns.entry_id 1EFO
357
+ _reflns.observed_criterion_sigma_I 1.0
358
+ _reflns.observed_criterion_sigma_F 2.0
359
+ _reflns.d_resolution_low 10.0
360
+ _reflns.d_resolution_high 2.3
361
+ _reflns.number_obs 2486
362
+ _reflns.number_all 2880
363
+ _reflns.percent_possible_obs 91.4
364
+ _reflns.pdbx_Rmerge_I_obs 0.0700000
365
+ _reflns.pdbx_Rsym_value ?
366
+ _reflns.pdbx_netI_over_sigmaI ?
367
+ _reflns.B_iso_Wilson_estimate ?
368
+ _reflns.pdbx_redundancy 5.6
369
+ _reflns.R_free_details ?
370
+ _reflns.pdbx_chi_squared ?
371
+ _reflns.pdbx_scaling_rejects ?
372
+ _reflns.pdbx_diffrn_id 1
373
+ _reflns.pdbx_ordinal 1
374
+ #
375
+ _reflns_shell.d_res_high 2.30
376
+ _reflns_shell.d_res_low 2.38
377
+ _reflns_shell.percent_possible_all 71.3
378
+ _reflns_shell.Rmerge_I_obs 0.0800000
379
+ _reflns_shell.pdbx_Rsym_value ?
380
+ _reflns_shell.meanI_over_sigI_obs ?
381
+ _reflns_shell.pdbx_redundancy 4.0
382
+ _reflns_shell.percent_possible_obs ?
383
+ _reflns_shell.number_unique_all ?
384
+ _reflns_shell.number_measured_all ?
385
+ _reflns_shell.number_measured_obs ?
386
+ _reflns_shell.number_unique_obs ?
387
+ _reflns_shell.pdbx_chi_squared ?
388
+ _reflns_shell.pdbx_diffrn_id ?
389
+ _reflns_shell.pdbx_ordinal 1
390
+ #
391
+ _refine.entry_id 1EFO
392
+ _refine.ls_number_reflns_obs 2486
393
+ _refine.ls_number_reflns_all 2578
394
+ _refine.pdbx_ls_sigma_I 1.0
395
+ _refine.pdbx_ls_sigma_F 2.0
396
+ _refine.pdbx_data_cutoff_high_absF ?
397
+ _refine.pdbx_data_cutoff_low_absF ?
398
+ _refine.pdbx_data_cutoff_high_rms_absF ?
399
+ _refine.ls_d_res_low 10.0
400
+ _refine.ls_d_res_high 2.30
401
+ _refine.ls_percent_reflns_obs 91.4
402
+ _refine.ls_R_factor_obs 0.1990000
403
+ _refine.ls_R_factor_all ?
404
+ _refine.ls_R_factor_R_work 0.1990000
405
+ _refine.ls_R_factor_R_free 0.2220000
406
+ _refine.ls_R_factor_R_free_error ?
407
+ _refine.ls_R_factor_R_free_error_details ?
408
+ _refine.ls_percent_reflns_R_free 9
409
+ _refine.ls_number_reflns_R_free 237
410
+ _refine.ls_number_parameters ?
411
+ _refine.ls_number_restraints ?
412
+ _refine.occupancy_min ?
413
+ _refine.occupancy_max ?
414
+ _refine.B_iso_mean ?
415
+ _refine.aniso_B[1][1] ?
416
+ _refine.aniso_B[2][2] ?
417
+ _refine.aniso_B[3][3] ?
418
+ _refine.aniso_B[1][2] ?
419
+ _refine.aniso_B[1][3] ?
420
+ _refine.aniso_B[2][3] ?
421
+ _refine.solvent_model_details ?
422
+ _refine.solvent_model_param_ksol ?
423
+ _refine.solvent_model_param_bsol ?
424
+ _refine.pdbx_ls_cross_valid_method THROUGHOUT
425
+ _refine.details ?
426
+ _refine.pdbx_starting_model ?
427
+ _refine.pdbx_method_to_determine_struct ?
428
+ _refine.pdbx_isotropic_thermal_model ?
429
+ _refine.pdbx_stereochemistry_target_values ?
430
+ _refine.pdbx_stereochem_target_val_spec_case ?
431
+ _refine.pdbx_R_Free_selection_details RANDOM
432
+ _refine.pdbx_overall_ESU_R ?
433
+ _refine.pdbx_overall_ESU_R_Free ?
434
+ _refine.overall_SU_ML ?
435
+ _refine.overall_SU_B ?
436
+ _refine.ls_redundancy_reflns_obs ?
437
+ _refine.correlation_coeff_Fo_to_Fc ?
438
+ _refine.correlation_coeff_Fo_to_Fc_free ?
439
+ _refine.overall_SU_R_Cruickshank_DPI ?
440
+ _refine.overall_SU_R_free ?
441
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
442
+ _refine.pdbx_overall_phase_error ?
443
+ _refine.pdbx_solvent_vdw_probe_radii ?
444
+ _refine.pdbx_solvent_ion_probe_radii ?
445
+ _refine.pdbx_solvent_shrinkage_radii ?
446
+ _refine.ls_wR_factor_R_free ?
447
+ _refine.ls_wR_factor_R_work ?
448
+ _refine.overall_FOM_free_R_set ?
449
+ _refine.overall_FOM_work_R_set ?
450
+ _refine.pdbx_diffrn_id 1
451
+ _refine.pdbx_TLS_residual_ADP_flag ?
452
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
453
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
454
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
455
+ #
456
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
457
+ _refine_hist.cycle_id LAST
458
+ _refine_hist.pdbx_number_atoms_protein 0
459
+ _refine_hist.pdbx_number_atoms_nucleic_acid 394
460
+ _refine_hist.pdbx_number_atoms_ligand 0
461
+ _refine_hist.number_atoms_solvent 23
462
+ _refine_hist.number_atoms_total 417
463
+ _refine_hist.d_res_high 2.30
464
+ _refine_hist.d_res_low 10.0
465
+ #
466
+ loop_
467
+ _refine_ls_restr.type
468
+ _refine_ls_restr.dev_ideal
469
+ _refine_ls_restr.dev_ideal_target
470
+ _refine_ls_restr.weight
471
+ _refine_ls_restr.number
472
+ _refine_ls_restr.pdbx_refine_id
473
+ _refine_ls_restr.pdbx_restraint_function
474
+ c_bond_d 0.007 ? ? ? 'X-RAY DIFFRACTION' ?
475
+ c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
476
+ c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
477
+ c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
478
+ c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
479
+ c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
480
+ c_angle_deg 1.2 ? ? ? 'X-RAY DIFFRACTION' ?
481
+ c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
482
+ c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
483
+ c_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
484
+ c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
485
+ c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
486
+ c_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
487
+ c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
488
+ c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
489
+ c_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
490
+ c_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
491
+ c_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
492
+ c_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
493
+ #
494
+ _database_PDB_matrix.entry_id 1EFO
495
+ _database_PDB_matrix.origx[1][1] 1.000000
496
+ _database_PDB_matrix.origx[1][2] 0.000000
497
+ _database_PDB_matrix.origx[1][3] 0.000000
498
+ _database_PDB_matrix.origx[2][1] 0.000000
499
+ _database_PDB_matrix.origx[2][2] 1.000000
500
+ _database_PDB_matrix.origx[2][3] 0.000000
501
+ _database_PDB_matrix.origx[3][1] 0.000000
502
+ _database_PDB_matrix.origx[3][2] 0.000000
503
+ _database_PDB_matrix.origx[3][3] 1.000000
504
+ _database_PDB_matrix.origx_vector[1] 0.00000
505
+ _database_PDB_matrix.origx_vector[2] 0.00000
506
+ _database_PDB_matrix.origx_vector[3] 0.00000
507
+ #
508
+ _struct.entry_id 1EFO
509
+ _struct.title
510
+ 'CRYSTAL STRUCTURE OF AN ADENINE BULGE IN THE RNA CHAIN OF A DNA/RNA HYBRID, D(CTCCTCTTC)/R(GAAGAGAGAG)'
511
+ _struct.pdbx_model_details ?
512
+ _struct.pdbx_CASP_flag ?
513
+ _struct.pdbx_model_type_details ?
514
+ #
515
+ _struct_keywords.entry_id 1EFO
516
+ _struct_keywords.pdbx_keywords 'DNA-RNA HYBRID'
517
+ _struct_keywords.text 'A-FORM CONFORMATION, HYBRID, ADENINE BULGE, LOOPED OUT, DNA-RNA COMPLEX, DNA-RNA HYBRID'
518
+ #
519
+ loop_
520
+ _struct_asym.id
521
+ _struct_asym.pdbx_blank_PDB_chainid_flag
522
+ _struct_asym.pdbx_modified
523
+ _struct_asym.entity_id
524
+ _struct_asym.details
525
+ A N N 1 ?
526
+ B N N 2 ?
527
+ C N N 3 ?
528
+ D N N 3 ?
529
+ #
530
+ loop_
531
+ _struct_ref.id
532
+ _struct_ref.entity_id
533
+ _struct_ref.db_name
534
+ _struct_ref.db_code
535
+ _struct_ref.pdbx_db_accession
536
+ _struct_ref.pdbx_align_begin
537
+ _struct_ref.pdbx_seq_one_letter_code
538
+ _struct_ref.pdbx_db_isoform
539
+ 1 1 PDB 1EFO 1EFO ? ? ?
540
+ 2 2 PDB 1EFO 1EFO ? ? ?
541
+ #
542
+ loop_
543
+ _struct_ref_seq.align_id
544
+ _struct_ref_seq.ref_id
545
+ _struct_ref_seq.pdbx_PDB_id_code
546
+ _struct_ref_seq.pdbx_strand_id
547
+ _struct_ref_seq.seq_align_beg
548
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code
549
+ _struct_ref_seq.seq_align_end
550
+ _struct_ref_seq.pdbx_seq_align_end_ins_code
551
+ _struct_ref_seq.pdbx_db_accession
552
+ _struct_ref_seq.db_align_beg
553
+ _struct_ref_seq.pdbx_db_align_beg_ins_code
554
+ _struct_ref_seq.db_align_end
555
+ _struct_ref_seq.pdbx_db_align_end_ins_code
556
+ _struct_ref_seq.pdbx_auth_seq_align_beg
557
+ _struct_ref_seq.pdbx_auth_seq_align_end
558
+ 1 1 1EFO A 1 ? 9 ? 1EFO 1 ? 9 ? 1 9
559
+ 2 2 1EFO B 1 ? 10 ? 1EFO 10 ? 19 ? 10 19
560
+ #
561
+ _pdbx_struct_assembly.id 1
562
+ _pdbx_struct_assembly.details author_defined_assembly
563
+ _pdbx_struct_assembly.method_details ?
564
+ _pdbx_struct_assembly.oligomeric_details dimeric
565
+ _pdbx_struct_assembly.oligomeric_count 2
566
+ #
567
+ _pdbx_struct_assembly_gen.assembly_id 1
568
+ _pdbx_struct_assembly_gen.oper_expression 1
569
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C,D
570
+ #
571
+ _pdbx_struct_oper_list.id 1
572
+ _pdbx_struct_oper_list.type 'identity operation'
573
+ _pdbx_struct_oper_list.name 1_555
574
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
575
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
576
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
577
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
578
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
579
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
580
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
581
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
582
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
583
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
584
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
585
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
586
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
587
+ #
588
+ _struct_biol.id 1
589
+ _struct_biol.pdbx_parent_biol_id ?
590
+ _struct_biol.details ?
591
+ #
592
+ loop_
593
+ _struct_conn.id
594
+ _struct_conn.conn_type_id
595
+ _struct_conn.pdbx_leaving_atom_flag
596
+ _struct_conn.pdbx_PDB_id
597
+ _struct_conn.ptnr1_label_asym_id
598
+ _struct_conn.ptnr1_label_comp_id
599
+ _struct_conn.ptnr1_label_seq_id
600
+ _struct_conn.ptnr1_label_atom_id
601
+ _struct_conn.pdbx_ptnr1_label_alt_id
602
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
603
+ _struct_conn.pdbx_ptnr1_standard_comp_id
604
+ _struct_conn.ptnr1_symmetry
605
+ _struct_conn.ptnr2_label_asym_id
606
+ _struct_conn.ptnr2_label_comp_id
607
+ _struct_conn.ptnr2_label_seq_id
608
+ _struct_conn.ptnr2_label_atom_id
609
+ _struct_conn.pdbx_ptnr2_label_alt_id
610
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
611
+ _struct_conn.ptnr1_auth_asym_id
612
+ _struct_conn.ptnr1_auth_comp_id
613
+ _struct_conn.ptnr1_auth_seq_id
614
+ _struct_conn.ptnr2_auth_asym_id
615
+ _struct_conn.ptnr2_auth_comp_id
616
+ _struct_conn.ptnr2_auth_seq_id
617
+ _struct_conn.ptnr2_symmetry
618
+ _struct_conn.pdbx_ptnr3_label_atom_id
619
+ _struct_conn.pdbx_ptnr3_label_seq_id
620
+ _struct_conn.pdbx_ptnr3_label_comp_id
621
+ _struct_conn.pdbx_ptnr3_label_asym_id
622
+ _struct_conn.pdbx_ptnr3_label_alt_id
623
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
624
+ _struct_conn.details
625
+ _struct_conn.pdbx_dist_value
626
+ _struct_conn.pdbx_value_order
627
+ _struct_conn.pdbx_role
628
+ hydrog1 hydrog ? ? A DC 1 N3 ? ? ? 1_555 B G 10 N1 ? ? A DC 1 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
629
+ hydrog2 hydrog ? ? A DC 1 N4 ? ? ? 1_555 B G 10 O6 ? ? A DC 1 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
630
+ hydrog3 hydrog ? ? A DC 1 O2 ? ? ? 1_555 B G 10 N2 ? ? A DC 1 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
631
+ hydrog4 hydrog ? ? A DT 2 N3 ? ? ? 1_555 B A 9 N1 ? ? A DT 2 B A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
632
+ hydrog5 hydrog ? ? A DT 2 O4 ? ? ? 1_555 B A 9 N6 ? ? A DT 2 B A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
633
+ hydrog6 hydrog ? ? A DC 3 N3 ? ? ? 1_555 B G 8 N1 ? ? A DC 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
634
+ hydrog7 hydrog ? ? A DC 3 N4 ? ? ? 1_555 B G 8 O6 ? ? A DC 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
635
+ hydrog8 hydrog ? ? A DC 3 O2 ? ? ? 1_555 B G 8 N2 ? ? A DC 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
636
+ hydrog9 hydrog ? ? A DC 4 N3 ? ? ? 1_555 B G 6 N1 ? ? A DC 4 B G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
637
+ hydrog10 hydrog ? ? A DC 4 N4 ? ? ? 1_555 B G 6 O6 ? ? A DC 4 B G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
638
+ hydrog11 hydrog ? ? A DC 4 O2 ? ? ? 1_555 B G 6 N2 ? ? A DC 4 B G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
639
+ hydrog12 hydrog ? ? A DT 5 N3 ? ? ? 1_555 B A 5 N1 ? ? A DT 5 B A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
640
+ hydrog13 hydrog ? ? A DT 5 O4 ? ? ? 1_555 B A 5 N6 ? ? A DT 5 B A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
641
+ hydrog14 hydrog ? ? A DC 6 N3 ? ? ? 1_555 B G 4 N1 ? ? A DC 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
642
+ hydrog15 hydrog ? ? A DC 6 N4 ? ? ? 1_555 B G 4 O6 ? ? A DC 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
643
+ hydrog16 hydrog ? ? A DC 6 O2 ? ? ? 1_555 B G 4 N2 ? ? A DC 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
644
+ hydrog17 hydrog ? ? A DT 7 N3 ? ? ? 1_555 B A 3 N1 ? ? A DT 7 B A 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
645
+ hydrog18 hydrog ? ? A DT 7 O4 ? ? ? 1_555 B A 3 N6 ? ? A DT 7 B A 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
646
+ hydrog19 hydrog ? ? A DT 8 N3 ? ? ? 1_555 B A 2 N1 ? ? A DT 8 B A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
647
+ hydrog20 hydrog ? ? A DT 8 O4 ? ? ? 1_555 B A 2 N6 ? ? A DT 8 B A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
648
+ hydrog21 hydrog ? ? A DC 9 N3 ? ? ? 1_555 B G 1 N1 ? ? A DC 9 B G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
649
+ hydrog22 hydrog ? ? A DC 9 N4 ? ? ? 1_555 B G 1 O6 ? ? A DC 9 B G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
650
+ hydrog23 hydrog ? ? A DC 9 O2 ? ? ? 1_555 B G 1 N2 ? ? A DC 9 B G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
651
+ #
652
+ _struct_conn_type.id hydrog
653
+ _struct_conn_type.criteria ?
654
+ _struct_conn_type.reference ?
655
+ #
656
+ loop_
657
+ _chem_comp_atom.comp_id
658
+ _chem_comp_atom.atom_id
659
+ _chem_comp_atom.type_symbol
660
+ _chem_comp_atom.pdbx_aromatic_flag
661
+ _chem_comp_atom.pdbx_stereo_config
662
+ _chem_comp_atom.pdbx_ordinal
663
+ A OP3 O N N 1
664
+ A P P N N 2
665
+ A OP1 O N N 3
666
+ A OP2 O N N 4
667
+ A "O5'" O N N 5
668
+ A "C5'" C N N 6
669
+ A "C4'" C N R 7
670
+ A "O4'" O N N 8
671
+ A "C3'" C N S 9
672
+ A "O3'" O N N 10
673
+ A "C2'" C N R 11
674
+ A "O2'" O N N 12
675
+ A "C1'" C N R 13
676
+ A N9 N Y N 14
677
+ A C8 C Y N 15
678
+ A N7 N Y N 16
679
+ A C5 C Y N 17
680
+ A C6 C Y N 18
681
+ A N6 N N N 19
682
+ A N1 N Y N 20
683
+ A C2 C Y N 21
684
+ A N3 N Y N 22
685
+ A C4 C Y N 23
686
+ A HOP3 H N N 24
687
+ A HOP2 H N N 25
688
+ A "H5'" H N N 26
689
+ A "H5''" H N N 27
690
+ A "H4'" H N N 28
691
+ A "H3'" H N N 29
692
+ A "HO3'" H N N 30
693
+ A "H2'" H N N 31
694
+ A "HO2'" H N N 32
695
+ A "H1'" H N N 33
696
+ A H8 H N N 34
697
+ A H61 H N N 35
698
+ A H62 H N N 36
699
+ A H2 H N N 37
700
+ DC OP3 O N N 38
701
+ DC P P N N 39
702
+ DC OP1 O N N 40
703
+ DC OP2 O N N 41
704
+ DC "O5'" O N N 42
705
+ DC "C5'" C N N 43
706
+ DC "C4'" C N R 44
707
+ DC "O4'" O N N 45
708
+ DC "C3'" C N S 46
709
+ DC "O3'" O N N 47
710
+ DC "C2'" C N N 48
711
+ DC "C1'" C N R 49
712
+ DC N1 N N N 50
713
+ DC C2 C N N 51
714
+ DC O2 O N N 52
715
+ DC N3 N N N 53
716
+ DC C4 C N N 54
717
+ DC N4 N N N 55
718
+ DC C5 C N N 56
719
+ DC C6 C N N 57
720
+ DC HOP3 H N N 58
721
+ DC HOP2 H N N 59
722
+ DC "H5'" H N N 60
723
+ DC "H5''" H N N 61
724
+ DC "H4'" H N N 62
725
+ DC "H3'" H N N 63
726
+ DC "HO3'" H N N 64
727
+ DC "H2'" H N N 65
728
+ DC "H2''" H N N 66
729
+ DC "H1'" H N N 67
730
+ DC H41 H N N 68
731
+ DC H42 H N N 69
732
+ DC H5 H N N 70
733
+ DC H6 H N N 71
734
+ DT OP3 O N N 72
735
+ DT P P N N 73
736
+ DT OP1 O N N 74
737
+ DT OP2 O N N 75
738
+ DT "O5'" O N N 76
739
+ DT "C5'" C N N 77
740
+ DT "C4'" C N R 78
741
+ DT "O4'" O N N 79
742
+ DT "C3'" C N S 80
743
+ DT "O3'" O N N 81
744
+ DT "C2'" C N N 82
745
+ DT "C1'" C N R 83
746
+ DT N1 N N N 84
747
+ DT C2 C N N 85
748
+ DT O2 O N N 86
749
+ DT N3 N N N 87
750
+ DT C4 C N N 88
751
+ DT O4 O N N 89
752
+ DT C5 C N N 90
753
+ DT C7 C N N 91
754
+ DT C6 C N N 92
755
+ DT HOP3 H N N 93
756
+ DT HOP2 H N N 94
757
+ DT "H5'" H N N 95
758
+ DT "H5''" H N N 96
759
+ DT "H4'" H N N 97
760
+ DT "H3'" H N N 98
761
+ DT "HO3'" H N N 99
762
+ DT "H2'" H N N 100
763
+ DT "H2''" H N N 101
764
+ DT "H1'" H N N 102
765
+ DT H3 H N N 103
766
+ DT H71 H N N 104
767
+ DT H72 H N N 105
768
+ DT H73 H N N 106
769
+ DT H6 H N N 107
770
+ G OP3 O N N 108
771
+ G P P N N 109
772
+ G OP1 O N N 110
773
+ G OP2 O N N 111
774
+ G "O5'" O N N 112
775
+ G "C5'" C N N 113
776
+ G "C4'" C N R 114
777
+ G "O4'" O N N 115
778
+ G "C3'" C N S 116
779
+ G "O3'" O N N 117
780
+ G "C2'" C N R 118
781
+ G "O2'" O N N 119
782
+ G "C1'" C N R 120
783
+ G N9 N Y N 121
784
+ G C8 C Y N 122
785
+ G N7 N Y N 123
786
+ G C5 C Y N 124
787
+ G C6 C N N 125
788
+ G O6 O N N 126
789
+ G N1 N N N 127
790
+ G C2 C N N 128
791
+ G N2 N N N 129
792
+ G N3 N N N 130
793
+ G C4 C Y N 131
794
+ G HOP3 H N N 132
795
+ G HOP2 H N N 133
796
+ G "H5'" H N N 134
797
+ G "H5''" H N N 135
798
+ G "H4'" H N N 136
799
+ G "H3'" H N N 137
800
+ G "HO3'" H N N 138
801
+ G "H2'" H N N 139
802
+ G "HO2'" H N N 140
803
+ G "H1'" H N N 141
804
+ G H8 H N N 142
805
+ G H1 H N N 143
806
+ G H21 H N N 144
807
+ G H22 H N N 145
808
+ HOH O O N N 146
809
+ HOH H1 H N N 147
810
+ HOH H2 H N N 148
811
+ #
812
+ loop_
813
+ _chem_comp_bond.comp_id
814
+ _chem_comp_bond.atom_id_1
815
+ _chem_comp_bond.atom_id_2
816
+ _chem_comp_bond.value_order
817
+ _chem_comp_bond.pdbx_aromatic_flag
818
+ _chem_comp_bond.pdbx_stereo_config
819
+ _chem_comp_bond.pdbx_ordinal
820
+ A OP3 P sing N N 1
821
+ A OP3 HOP3 sing N N 2
822
+ A P OP1 doub N N 3
823
+ A P OP2 sing N N 4
824
+ A P "O5'" sing N N 5
825
+ A OP2 HOP2 sing N N 6
826
+ A "O5'" "C5'" sing N N 7
827
+ A "C5'" "C4'" sing N N 8
828
+ A "C5'" "H5'" sing N N 9
829
+ A "C5'" "H5''" sing N N 10
830
+ A "C4'" "O4'" sing N N 11
831
+ A "C4'" "C3'" sing N N 12
832
+ A "C4'" "H4'" sing N N 13
833
+ A "O4'" "C1'" sing N N 14
834
+ A "C3'" "O3'" sing N N 15
835
+ A "C3'" "C2'" sing N N 16
836
+ A "C3'" "H3'" sing N N 17
837
+ A "O3'" "HO3'" sing N N 18
838
+ A "C2'" "O2'" sing N N 19
839
+ A "C2'" "C1'" sing N N 20
840
+ A "C2'" "H2'" sing N N 21
841
+ A "O2'" "HO2'" sing N N 22
842
+ A "C1'" N9 sing N N 23
843
+ A "C1'" "H1'" sing N N 24
844
+ A N9 C8 sing Y N 25
845
+ A N9 C4 sing Y N 26
846
+ A C8 N7 doub Y N 27
847
+ A C8 H8 sing N N 28
848
+ A N7 C5 sing Y N 29
849
+ A C5 C6 sing Y N 30
850
+ A C5 C4 doub Y N 31
851
+ A C6 N6 sing N N 32
852
+ A C6 N1 doub Y N 33
853
+ A N6 H61 sing N N 34
854
+ A N6 H62 sing N N 35
855
+ A N1 C2 sing Y N 36
856
+ A C2 N3 doub Y N 37
857
+ A C2 H2 sing N N 38
858
+ A N3 C4 sing Y N 39
859
+ DC OP3 P sing N N 40
860
+ DC OP3 HOP3 sing N N 41
861
+ DC P OP1 doub N N 42
862
+ DC P OP2 sing N N 43
863
+ DC P "O5'" sing N N 44
864
+ DC OP2 HOP2 sing N N 45
865
+ DC "O5'" "C5'" sing N N 46
866
+ DC "C5'" "C4'" sing N N 47
867
+ DC "C5'" "H5'" sing N N 48
868
+ DC "C5'" "H5''" sing N N 49
869
+ DC "C4'" "O4'" sing N N 50
870
+ DC "C4'" "C3'" sing N N 51
871
+ DC "C4'" "H4'" sing N N 52
872
+ DC "O4'" "C1'" sing N N 53
873
+ DC "C3'" "O3'" sing N N 54
874
+ DC "C3'" "C2'" sing N N 55
875
+ DC "C3'" "H3'" sing N N 56
876
+ DC "O3'" "HO3'" sing N N 57
877
+ DC "C2'" "C1'" sing N N 58
878
+ DC "C2'" "H2'" sing N N 59
879
+ DC "C2'" "H2''" sing N N 60
880
+ DC "C1'" N1 sing N N 61
881
+ DC "C1'" "H1'" sing N N 62
882
+ DC N1 C2 sing N N 63
883
+ DC N1 C6 sing N N 64
884
+ DC C2 O2 doub N N 65
885
+ DC C2 N3 sing N N 66
886
+ DC N3 C4 doub N N 67
887
+ DC C4 N4 sing N N 68
888
+ DC C4 C5 sing N N 69
889
+ DC N4 H41 sing N N 70
890
+ DC N4 H42 sing N N 71
891
+ DC C5 C6 doub N N 72
892
+ DC C5 H5 sing N N 73
893
+ DC C6 H6 sing N N 74
894
+ DT OP3 P sing N N 75
895
+ DT OP3 HOP3 sing N N 76
896
+ DT P OP1 doub N N 77
897
+ DT P OP2 sing N N 78
898
+ DT P "O5'" sing N N 79
899
+ DT OP2 HOP2 sing N N 80
900
+ DT "O5'" "C5'" sing N N 81
901
+ DT "C5'" "C4'" sing N N 82
902
+ DT "C5'" "H5'" sing N N 83
903
+ DT "C5'" "H5''" sing N N 84
904
+ DT "C4'" "O4'" sing N N 85
905
+ DT "C4'" "C3'" sing N N 86
906
+ DT "C4'" "H4'" sing N N 87
907
+ DT "O4'" "C1'" sing N N 88
908
+ DT "C3'" "O3'" sing N N 89
909
+ DT "C3'" "C2'" sing N N 90
910
+ DT "C3'" "H3'" sing N N 91
911
+ DT "O3'" "HO3'" sing N N 92
912
+ DT "C2'" "C1'" sing N N 93
913
+ DT "C2'" "H2'" sing N N 94
914
+ DT "C2'" "H2''" sing N N 95
915
+ DT "C1'" N1 sing N N 96
916
+ DT "C1'" "H1'" sing N N 97
917
+ DT N1 C2 sing N N 98
918
+ DT N1 C6 sing N N 99
919
+ DT C2 O2 doub N N 100
920
+ DT C2 N3 sing N N 101
921
+ DT N3 C4 sing N N 102
922
+ DT N3 H3 sing N N 103
923
+ DT C4 O4 doub N N 104
924
+ DT C4 C5 sing N N 105
925
+ DT C5 C7 sing N N 106
926
+ DT C5 C6 doub N N 107
927
+ DT C7 H71 sing N N 108
928
+ DT C7 H72 sing N N 109
929
+ DT C7 H73 sing N N 110
930
+ DT C6 H6 sing N N 111
931
+ G OP3 P sing N N 112
932
+ G OP3 HOP3 sing N N 113
933
+ G P OP1 doub N N 114
934
+ G P OP2 sing N N 115
935
+ G P "O5'" sing N N 116
936
+ G OP2 HOP2 sing N N 117
937
+ G "O5'" "C5'" sing N N 118
938
+ G "C5'" "C4'" sing N N 119
939
+ G "C5'" "H5'" sing N N 120
940
+ G "C5'" "H5''" sing N N 121
941
+ G "C4'" "O4'" sing N N 122
942
+ G "C4'" "C3'" sing N N 123
943
+ G "C4'" "H4'" sing N N 124
944
+ G "O4'" "C1'" sing N N 125
945
+ G "C3'" "O3'" sing N N 126
946
+ G "C3'" "C2'" sing N N 127
947
+ G "C3'" "H3'" sing N N 128
948
+ G "O3'" "HO3'" sing N N 129
949
+ G "C2'" "O2'" sing N N 130
950
+ G "C2'" "C1'" sing N N 131
951
+ G "C2'" "H2'" sing N N 132
952
+ G "O2'" "HO2'" sing N N 133
953
+ G "C1'" N9 sing N N 134
954
+ G "C1'" "H1'" sing N N 135
955
+ G N9 C8 sing Y N 136
956
+ G N9 C4 sing Y N 137
957
+ G C8 N7 doub Y N 138
958
+ G C8 H8 sing N N 139
959
+ G N7 C5 sing Y N 140
960
+ G C5 C6 sing N N 141
961
+ G C5 C4 doub Y N 142
962
+ G C6 O6 doub N N 143
963
+ G C6 N1 sing N N 144
964
+ G N1 C2 sing N N 145
965
+ G N1 H1 sing N N 146
966
+ G C2 N2 sing N N 147
967
+ G C2 N3 doub N N 148
968
+ G N2 H21 sing N N 149
969
+ G N2 H22 sing N N 150
970
+ G N3 C4 sing N N 151
971
+ HOH O H1 sing N N 152
972
+ HOH O H2 sing N N 153
973
+ #
974
+ loop_
975
+ _ndb_struct_conf_na.entry_id
976
+ _ndb_struct_conf_na.feature
977
+ 1EFO 'a-form double helix'
978
+ 1EFO 'bulge loop'
979
+ #
980
+ loop_
981
+ _ndb_struct_na_base_pair.model_number
982
+ _ndb_struct_na_base_pair.i_label_asym_id
983
+ _ndb_struct_na_base_pair.i_label_comp_id
984
+ _ndb_struct_na_base_pair.i_label_seq_id
985
+ _ndb_struct_na_base_pair.i_symmetry
986
+ _ndb_struct_na_base_pair.j_label_asym_id
987
+ _ndb_struct_na_base_pair.j_label_comp_id
988
+ _ndb_struct_na_base_pair.j_label_seq_id
989
+ _ndb_struct_na_base_pair.j_symmetry
990
+ _ndb_struct_na_base_pair.shear
991
+ _ndb_struct_na_base_pair.stretch
992
+ _ndb_struct_na_base_pair.stagger
993
+ _ndb_struct_na_base_pair.buckle
994
+ _ndb_struct_na_base_pair.propeller
995
+ _ndb_struct_na_base_pair.opening
996
+ _ndb_struct_na_base_pair.pair_number
997
+ _ndb_struct_na_base_pair.pair_name
998
+ _ndb_struct_na_base_pair.i_auth_asym_id
999
+ _ndb_struct_na_base_pair.i_auth_seq_id
1000
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1001
+ _ndb_struct_na_base_pair.j_auth_asym_id
1002
+ _ndb_struct_na_base_pair.j_auth_seq_id
1003
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1004
+ _ndb_struct_na_base_pair.hbond_type_28
1005
+ _ndb_struct_na_base_pair.hbond_type_12
1006
+ 1 A DC 1 1_555 B G 10 1_555 0.463 -0.357 0.245 -9.099 0.527 0.561 1 A_DC1:G19_B A 1 ? B 19 ? 19 1
1007
+ 1 A DT 2 1_555 B A 9 1_555 0.248 -0.240 -0.035 10.510 -5.910 2.003 2 A_DT2:A18_B A 2 ? B 18 ? 20 1
1008
+ 1 A DC 3 1_555 B G 8 1_555 1.077 -0.279 -0.201 11.155 -9.044 7.133 3 A_DC3:G17_B A 3 ? B 17 ? 19 1
1009
+ 1 A DC 4 1_555 B G 6 1_555 0.071 0.010 -0.052 3.697 -7.725 5.100 4 A_DC4:G15_B A 4 ? B 15 ? 19 1
1010
+ 1 A DT 5 1_555 B A 5 1_555 -0.397 -0.027 -0.060 12.821 -11.543 7.429 5 A_DT5:A14_B A 5 ? B 14 ? 20 1
1011
+ 1 A DC 6 1_555 B G 4 1_555 0.903 -0.400 -0.060 10.339 -10.329 0.974 6 A_DC6:G13_B A 6 ? B 13 ? 19 1
1012
+ 1 A DT 7 1_555 B A 3 1_555 0.198 -0.362 -0.052 6.136 -17.095 10.038 7 A_DT7:A12_B A 7 ? B 12 ? 20 1
1013
+ 1 A DT 8 1_555 B A 2 1_555 0.287 -0.285 0.186 6.486 -11.057 3.365 8 A_DT8:A11_B A 8 ? B 11 ? 20 1
1014
+ 1 A DC 9 1_555 B G 1 1_555 0.382 -0.146 0.098 5.302 -13.089 7.221 9 A_DC9:G10_B A 9 ? B 10 ? 19 1
1015
+ #
1016
+ loop_
1017
+ _ndb_struct_na_base_pair_step.model_number
1018
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1019
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1020
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1021
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1022
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1023
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1024
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1025
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1026
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1027
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1028
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1029
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1030
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1031
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1032
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1033
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1034
+ _ndb_struct_na_base_pair_step.shift
1035
+ _ndb_struct_na_base_pair_step.slide
1036
+ _ndb_struct_na_base_pair_step.rise
1037
+ _ndb_struct_na_base_pair_step.tilt
1038
+ _ndb_struct_na_base_pair_step.roll
1039
+ _ndb_struct_na_base_pair_step.twist
1040
+ _ndb_struct_na_base_pair_step.x_displacement
1041
+ _ndb_struct_na_base_pair_step.y_displacement
1042
+ _ndb_struct_na_base_pair_step.helical_rise
1043
+ _ndb_struct_na_base_pair_step.inclination
1044
+ _ndb_struct_na_base_pair_step.tip
1045
+ _ndb_struct_na_base_pair_step.helical_twist
1046
+ _ndb_struct_na_base_pair_step.step_number
1047
+ _ndb_struct_na_base_pair_step.step_name
1048
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1049
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1050
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1051
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1052
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1053
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1054
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1055
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1056
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1057
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1058
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1059
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1060
+ 1 A DC 1 1_555 B G 10 1_555 A DT 2 1_555 B A 9 1_555 -0.393 -1.882 2.870 0.465 -1.046 25.036 -4.061 1.027 2.937 -2.410 -1.071
1061
+ 25.062 1 AA_DC1DT2:A18G19_BB A 1 ? B 19 ? A 2 ? B 18 ?
1062
+ 1 A DT 2 1_555 B A 9 1_555 A DC 3 1_555 B G 8 1_555 0.443 -1.736 3.422 -0.739 0.909 35.261 -3.005 -0.845 3.368 1.500 1.219
1063
+ 35.280 2 AA_DT2DC3:G17A18_BB A 2 ? B 18 ? A 3 ? B 17 ?
1064
+ 1 A DC 3 1_555 B G 8 1_555 A DC 4 1_555 B G 6 1_555 -0.451 -1.953 3.512 -1.448 3.575 27.493 -4.966 0.577 3.256 7.474 3.028
1065
+ 27.757 3 AA_DC3DC4:G15G17_BB A 3 ? B 17 ? A 4 ? B 15 ?
1066
+ 1 A DC 4 1_555 B G 6 1_555 A DT 5 1_555 B A 5 1_555 -0.173 -1.585 3.233 -3.242 4.504 27.754 -4.238 -0.363 2.944 9.272 6.675
1067
+ 28.292 4 AA_DC4DT5:A14G15_BB A 4 ? B 15 ? A 5 ? B 14 ?
1068
+ 1 A DT 5 1_555 B A 5 1_555 A DC 6 1_555 B G 4 1_555 -0.888 -1.615 3.413 -3.984 10.475 33.689 -4.172 0.881 2.882 17.484 6.650
1069
+ 35.453 5 AA_DT5DC6:G13A14_BB A 5 ? B 14 ? A 6 ? B 13 ?
1070
+ 1 A DC 6 1_555 B G 4 1_555 A DT 7 1_555 B A 3 1_555 1.025 -1.673 3.304 3.975 9.182 30.795 -4.561 -1.167 2.809 16.745 -7.250
1071
+ 32.343 6 AA_DC6DT7:A12G13_BB A 6 ? B 13 ? A 7 ? B 12 ?
1072
+ 1 A DT 7 1_555 B A 3 1_555 A DT 8 1_555 B A 2 1_555 -0.962 -1.888 3.351 -1.546 9.043 27.681 -5.619 1.594 2.662 18.275 3.124
1073
+ 29.133 7 AA_DT7DT8:A11A12_BB A 7 ? B 12 ? A 8 ? B 11 ?
1074
+ 1 A DT 8 1_555 B A 2 1_555 A DC 9 1_555 B G 1 1_555 0.086 -1.337 3.300 -2.053 0.250 35.186 -2.245 -0.450 3.280 0.413 3.392
1075
+ 35.245 8 AA_DT8DC9:G10A11_BB A 8 ? B 11 ? A 9 ? B 10 ?
1076
+ #
1077
+ _atom_sites.entry_id 1EFO
1078
+ _atom_sites.fract_transf_matrix[1][1] 0.021432
1079
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
1080
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
1081
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1082
+ _atom_sites.fract_transf_matrix[2][2] 0.021004
1083
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1084
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1085
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1086
+ _atom_sites.fract_transf_matrix[3][3] 0.018505
1087
+ _atom_sites.fract_transf_vector[1] 0.00000
1088
+ _atom_sites.fract_transf_vector[2] 0.00000
1089
+ _atom_sites.fract_transf_vector[3] 0.00000
1090
+ #
1091
+ loop_
1092
+ _atom_type.symbol
1093
+ C
1094
+ N
1095
+ O
1096
+ P
1097
+ #
1098
+ loop_
1099
+ _atom_site.group_PDB
1100
+ _atom_site.id
1101
+ _atom_site.type_symbol
1102
+ _atom_site.label_atom_id
1103
+ _atom_site.label_alt_id
1104
+ _atom_site.label_comp_id
1105
+ _atom_site.label_asym_id
1106
+ _atom_site.label_entity_id
1107
+ _atom_site.label_seq_id
1108
+ _atom_site.pdbx_PDB_ins_code
1109
+ _atom_site.Cartn_x
1110
+ _atom_site.Cartn_y
1111
+ _atom_site.Cartn_z
1112
+ _atom_site.occupancy
1113
+ _atom_site.B_iso_or_equiv
1114
+ _atom_site.pdbx_formal_charge
1115
+ _atom_site.auth_seq_id
1116
+ _atom_site.auth_comp_id
1117
+ _atom_site.auth_asym_id
1118
+ _atom_site.auth_atom_id
1119
+ _atom_site.pdbx_PDB_model_num
1120
+ ATOM 1 O "O5'" . DC A 1 1 ? -4.137 16.256 21.211 1.00 66.06 ? 1 DC A "O5'" 1
1121
+ ATOM 2 C "C5'" . DC A 1 1 ? -5.291 17.110 21.036 1.00 63.56 ? 1 DC A "C5'" 1
1122
+ ATOM 3 C "C4'" . DC A 1 1 ? -6.255 16.514 20.036 1.00 62.61 ? 1 DC A "C4'" 1
1123
+ ATOM 4 O "O4'" . DC A 1 1 ? -6.633 17.520 19.068 1.00 61.19 ? 1 DC A "O4'" 1
1124
+ ATOM 5 C "C3'" . DC A 1 1 ? -5.653 15.387 19.207 1.00 62.89 ? 1 DC A "C3'" 1
1125
+ ATOM 6 O "O3'" . DC A 1 1 ? -5.825 14.142 19.886 1.00 64.44 ? 1 DC A "O3'" 1
1126
+ ATOM 7 C "C2'" . DC A 1 1 ? -6.456 15.458 17.922 1.00 60.62 ? 1 DC A "C2'" 1
1127
+ ATOM 8 C "C1'" . DC A 1 1 ? -6.646 16.962 17.757 1.00 58.69 ? 1 DC A "C1'" 1
1128
+ ATOM 9 N N1 . DC A 1 1 ? -5.575 17.609 16.992 1.00 57.08 ? 1 DC A N1 1
1129
+ ATOM 10 C C2 . DC A 1 1 ? -5.450 17.319 15.634 1.00 56.50 ? 1 DC A C2 1
1130
+ ATOM 11 O O2 . DC A 1 1 ? -6.268 16.553 15.112 1.00 56.33 ? 1 DC A O2 1
1131
+ ATOM 12 N N3 . DC A 1 1 ? -4.446 17.886 14.924 1.00 55.91 ? 1 DC A N3 1
1132
+ ATOM 13 C C4 . DC A 1 1 ? -3.603 18.733 15.521 1.00 55.82 ? 1 DC A C4 1
1133
+ ATOM 14 N N4 . DC A 1 1 ? -2.642 19.282 14.781 1.00 56.12 ? 1 DC A N4 1
1134
+ ATOM 15 C C5 . DC A 1 1 ? -3.716 19.057 16.904 1.00 55.50 ? 1 DC A C5 1
1135
+ ATOM 16 C C6 . DC A 1 1 ? -4.706 18.475 17.595 1.00 55.78 ? 1 DC A C6 1
1136
+ ATOM 17 P P . DT A 1 2 ? -4.692 13.002 19.771 1.00 68.05 ? 2 DT A P 1
1137
+ ATOM 18 O OP1 . DT A 1 2 ? -5.010 11.977 20.805 1.00 68.41 ? 2 DT A OP1 1
1138
+ ATOM 19 O OP2 . DT A 1 2 ? -3.352 13.677 19.786 1.00 67.37 ? 2 DT A OP2 1
1139
+ ATOM 20 O "O5'" . DT A 1 2 ? -4.938 12.325 18.340 1.00 63.81 ? 2 DT A "O5'" 1
1140
+ ATOM 21 C "C5'" . DT A 1 2 ? -6.172 11.690 18.050 1.00 58.35 ? 2 DT A "C5'" 1
1141
+ ATOM 22 C "C4'" . DT A 1 2 ? -6.361 11.565 16.559 1.00 57.14 ? 2 DT A "C4'" 1
1142
+ ATOM 23 O "O4'" . DT A 1 2 ? -6.311 12.865 15.929 1.00 57.15 ? 2 DT A "O4'" 1
1143
+ ATOM 24 C "C3'" . DT A 1 2 ? -5.271 10.783 15.855 1.00 57.10 ? 2 DT A "C3'" 1
1144
+ ATOM 25 O "O3'" . DT A 1 2 ? -5.493 9.385 15.988 1.00 58.00 ? 2 DT A "O3'" 1
1145
+ ATOM 26 C "C2'" . DT A 1 2 ? -5.444 11.244 14.424 1.00 55.39 ? 2 DT A "C2'" 1
1146
+ ATOM 27 C "C1'" . DT A 1 2 ? -5.748 12.722 14.618 1.00 54.06 ? 2 DT A "C1'" 1
1147
+ ATOM 28 N N1 . DT A 1 2 ? -4.546 13.582 14.522 1.00 52.07 ? 2 DT A N1 1
1148
+ ATOM 29 C C2 . DT A 1 2 ? -4.082 13.861 13.255 1.00 50.95 ? 2 DT A C2 1
1149
+ ATOM 30 O O2 . DT A 1 2 ? -4.580 13.391 12.244 1.00 52.61 ? 2 DT A O2 1
1150
+ ATOM 31 N N3 . DT A 1 2 ? -2.999 14.703 13.213 1.00 48.85 ? 2 DT A N3 1
1151
+ ATOM 32 C C4 . DT A 1 2 ? -2.333 15.262 14.279 1.00 47.60 ? 2 DT A C4 1
1152
+ ATOM 33 O O4 . DT A 1 2 ? -1.381 16.012 14.077 1.00 45.98 ? 2 DT A O4 1
1153
+ ATOM 34 C C5 . DT A 1 2 ? -2.845 14.899 15.582 1.00 47.85 ? 2 DT A C5 1
1154
+ ATOM 35 C C7 . DT A 1 2 ? -2.160 15.437 16.796 1.00 45.27 ? 2 DT A C7 1
1155
+ ATOM 36 C C6 . DT A 1 2 ? -3.917 14.091 15.640 1.00 48.89 ? 2 DT A C6 1
1156
+ ATOM 37 P P . DC A 1 3 ? -4.238 8.387 16.005 1.00 56.75 ? 3 DC A P 1
1157
+ ATOM 38 O OP1 . DC A 1 3 ? -4.786 7.064 16.401 1.00 59.07 ? 3 DC A OP1 1
1158
+ ATOM 39 O OP2 . DC A 1 3 ? -3.176 9.026 16.825 1.00 56.98 ? 3 DC A OP2 1
1159
+ ATOM 40 O "O5'" . DC A 1 3 ? -3.765 8.325 14.478 1.00 56.57 ? 3 DC A "O5'" 1
1160
+ ATOM 41 C "C5'" . DC A 1 3 ? -4.681 7.950 13.454 1.00 55.01 ? 3 DC A "C5'" 1
1161
+ ATOM 42 C "C4'" . DC A 1 3 ? -4.137 8.323 12.094 1.00 56.48 ? 3 DC A "C4'" 1
1162
+ ATOM 43 O "O4'" . DC A 1 3 ? -4.001 9.759 11.976 1.00 56.59 ? 3 DC A "O4'" 1
1163
+ ATOM 44 C "C3'" . DC A 1 3 ? -2.748 7.788 11.787 1.00 57.47 ? 3 DC A "C3'" 1
1164
+ ATOM 45 O "O3'" . DC A 1 3 ? -2.818 6.427 11.335 1.00 60.79 ? 3 DC A "O3'" 1
1165
+ ATOM 46 C "C2'" . DC A 1 3 ? -2.294 8.730 10.687 1.00 56.23 ? 3 DC A "C2'" 1
1166
+ ATOM 47 C "C1'" . DC A 1 3 ? -2.884 10.070 11.135 1.00 55.32 ? 3 DC A "C1'" 1
1167
+ ATOM 48 N N1 . DC A 1 3 ? -1.942 10.916 11.906 1.00 53.09 ? 3 DC A N1 1
1168
+ ATOM 49 C C2 . DC A 1 3 ? -0.998 11.686 11.208 1.00 51.54 ? 3 DC A C2 1
1169
+ ATOM 50 O O2 . DC A 1 3 ? -0.990 11.642 9.969 1.00 48.91 ? 3 DC A O2 1
1170
+ ATOM 51 N N3 . DC A 1 3 ? -0.123 12.462 11.902 1.00 50.04 ? 3 DC A N3 1
1171
+ ATOM 52 C C4 . DC A 1 3 ? -0.183 12.500 13.233 1.00 50.76 ? 3 DC A C4 1
1172
+ ATOM 53 N N4 . DC A 1 3 ? 0.672 13.293 13.869 1.00 50.40 ? 3 DC A N4 1
1173
+ ATOM 54 C C5 . DC A 1 3 ? -1.130 11.726 13.971 1.00 51.12 ? 3 DC A C5 1
1174
+ ATOM 55 C C6 . DC A 1 3 ? -1.979 10.951 13.274 1.00 52.33 ? 3 DC A C6 1
1175
+ ATOM 56 P P . DC A 1 4 ? -1.538 5.452 11.502 1.00 62.92 ? 4 DC A P 1
1176
+ ATOM 57 O OP1 . DC A 1 4 ? -2.000 4.064 11.211 1.00 63.76 ? 4 DC A OP1 1
1177
+ ATOM 58 O OP2 . DC A 1 4 ? -0.882 5.761 12.820 1.00 60.76 ? 4 DC A OP2 1
1178
+ ATOM 59 O "O5'" . DC A 1 4 ? -0.583 5.848 10.287 1.00 60.13 ? 4 DC A "O5'" 1
1179
+ ATOM 60 C "C5'" . DC A 1 4 ? -1.025 5.661 8.939 1.00 57.32 ? 4 DC A "C5'" 1
1180
+ ATOM 61 C "C4'" . DC A 1 4 ? -0.078 6.333 7.971 1.00 56.39 ? 4 DC A "C4'" 1
1181
+ ATOM 62 O "O4'" . DC A 1 4 ? -0.047 7.763 8.209 1.00 55.04 ? 4 DC A "O4'" 1
1182
+ ATOM 63 C "C3'" . DC A 1 4 ? 1.375 5.895 8.090 1.00 56.51 ? 4 DC A "C3'" 1
1183
+ ATOM 64 O "O3'" . DC A 1 4 ? 1.602 4.686 7.353 1.00 59.76 ? 4 DC A "O3'" 1
1184
+ ATOM 65 C "C2'" . DC A 1 4 ? 2.106 7.079 7.485 1.00 54.24 ? 4 DC A "C2'" 1
1185
+ ATOM 66 C "C1'" . DC A 1 4 ? 1.273 8.261 7.982 1.00 50.82 ? 4 DC A "C1'" 1
1186
+ ATOM 67 N N1 . DC A 1 4 ? 1.765 8.881 9.236 1.00 46.43 ? 4 DC A N1 1
1187
+ ATOM 68 C C2 . DC A 1 4 ? 2.859 9.741 9.159 1.00 42.89 ? 4 DC A C2 1
1188
+ ATOM 69 O O2 . DC A 1 4 ? 3.375 9.944 8.058 1.00 45.46 ? 4 DC A O2 1
1189
+ ATOM 70 N N3 . DC A 1 4 ? 3.323 10.332 10.274 1.00 41.12 ? 4 DC A N3 1
1190
+ ATOM 71 C C4 . DC A 1 4 ? 2.726 10.100 11.445 1.00 42.04 ? 4 DC A C4 1
1191
+ ATOM 72 N N4 . DC A 1 4 ? 3.210 10.730 12.529 1.00 39.64 ? 4 DC A N4 1
1192
+ ATOM 73 C C5 . DC A 1 4 ? 1.607 9.218 11.560 1.00 40.36 ? 4 DC A C5 1
1193
+ ATOM 74 C C6 . DC A 1 4 ? 1.167 8.631 10.441 1.00 42.17 ? 4 DC A C6 1
1194
+ ATOM 75 P P . DT A 1 5 ? 2.727 3.634 7.849 1.00 61.38 ? 5 DT A P 1
1195
+ ATOM 76 O OP1 . DT A 1 5 ? 2.525 2.414 7.007 1.00 60.79 ? 5 DT A OP1 1
1196
+ ATOM 77 O OP2 . DT A 1 5 ? 2.710 3.528 9.355 1.00 57.16 ? 5 DT A OP2 1
1197
+ ATOM 78 O "O5'" . DT A 1 5 ? 4.096 4.296 7.374 1.00 58.88 ? 5 DT A "O5'" 1
1198
+ ATOM 79 C "C5'" . DT A 1 5 ? 4.309 4.582 5.992 1.00 56.37 ? 5 DT A "C5'" 1
1199
+ ATOM 80 C "C4'" . DT A 1 5 ? 5.550 5.425 5.821 1.00 55.73 ? 5 DT A "C4'" 1
1200
+ ATOM 81 O "O4'" . DT A 1 5 ? 5.350 6.728 6.414 1.00 55.23 ? 5 DT A "O4'" 1
1201
+ ATOM 82 C "C3'" . DT A 1 5 ? 6.774 4.892 6.545 1.00 57.04 ? 5 DT A "C3'" 1
1202
+ ATOM 83 O "O3'" . DT A 1 5 ? 7.411 3.852 5.804 1.00 59.02 ? 5 DT A "O3'" 1
1203
+ ATOM 84 C "C2'" . DT A 1 5 ? 7.640 6.132 6.648 1.00 54.84 ? 5 DT A "C2'" 1
1204
+ ATOM 85 C "C1'" . DT A 1 5 ? 6.602 7.221 6.909 1.00 52.32 ? 5 DT A "C1'" 1
1205
+ ATOM 86 N N1 . DT A 1 5 ? 6.431 7.549 8.337 1.00 47.82 ? 5 DT A N1 1
1206
+ ATOM 87 C C2 . DT A 1 5 ? 7.289 8.481 8.904 1.00 45.07 ? 5 DT A C2 1
1207
+ ATOM 88 O O2 . DT A 1 5 ? 8.181 9.042 8.282 1.00 42.51 ? 5 DT A O2 1
1208
+ ATOM 89 N N3 . DT A 1 5 ? 7.063 8.734 10.233 1.00 43.76 ? 5 DT A N3 1
1209
+ ATOM 90 C C4 . DT A 1 5 ? 6.091 8.165 11.025 1.00 45.43 ? 5 DT A C4 1
1210
+ ATOM 91 O O4 . DT A 1 5 ? 5.992 8.505 12.198 1.00 48.29 ? 5 DT A O4 1
1211
+ ATOM 92 C C5 . DT A 1 5 ? 5.237 7.188 10.370 1.00 45.84 ? 5 DT A C5 1
1212
+ ATOM 93 C C7 . DT A 1 5 ? 4.177 6.506 11.173 1.00 43.73 ? 5 DT A C7 1
1213
+ ATOM 94 C C6 . DT A 1 5 ? 5.443 6.937 9.074 1.00 45.36 ? 5 DT A C6 1
1214
+ ATOM 95 P P . DC A 1 6 ? 8.228 2.710 6.590 1.00 60.32 ? 6 DC A P 1
1215
+ ATOM 96 O OP1 . DC A 1 6 ? 8.532 1.655 5.588 1.00 61.15 ? 6 DC A OP1 1
1216
+ ATOM 97 O OP2 . DC A 1 6 ? 7.524 2.354 7.875 1.00 58.89 ? 6 DC A OP2 1
1217
+ ATOM 98 O "O5'" . DC A 1 6 ? 9.582 3.431 7.022 1.00 59.32 ? 6 DC A "O5'" 1
1218
+ ATOM 99 C "C5'" . DC A 1 6 ? 10.556 3.819 6.064 1.00 56.39 ? 6 DC A "C5'" 1
1219
+ ATOM 100 C "C4'" . DC A 1 6 ? 11.645 4.607 6.750 1.00 55.49 ? 6 DC A "C4'" 1
1220
+ ATOM 101 O "O4'" . DC A 1 6 ? 11.080 5.830 7.281 1.00 54.68 ? 6 DC A "O4'" 1
1221
+ ATOM 102 C "C3'" . DC A 1 6 ? 12.250 3.942 7.984 1.00 56.04 ? 6 DC A "C3'" 1
1222
+ ATOM 103 O "O3'" . DC A 1 6 ? 13.238 2.953 7.644 1.00 58.48 ? 6 DC A "O3'" 1
1223
+ ATOM 104 C "C2'" . DC A 1 6 ? 12.873 5.135 8.681 1.00 53.64 ? 6 DC A "C2'" 1
1224
+ ATOM 105 C "C1'" . DC A 1 6 ? 11.834 6.227 8.434 1.00 51.04 ? 6 DC A "C1'" 1
1225
+ ATOM 106 N N1 . DC A 1 6 ? 10.919 6.361 9.574 1.00 46.61 ? 6 DC A N1 1
1226
+ ATOM 107 C C2 . DC A 1 6 ? 11.339 7.127 10.667 1.00 44.24 ? 6 DC A C2 1
1227
+ ATOM 108 O O2 . DC A 1 6 ? 12.439 7.706 10.596 1.00 43.14 ? 6 DC A O2 1
1228
+ ATOM 109 N N3 . DC A 1 6 ? 10.545 7.219 11.765 1.00 41.24 ? 6 DC A N3 1
1229
+ ATOM 110 C C4 . DC A 1 6 ? 9.374 6.578 11.794 1.00 42.60 ? 6 DC A C4 1
1230
+ ATOM 111 N N4 . DC A 1 6 ? 8.639 6.661 12.913 1.00 43.10 ? 6 DC A N4 1
1231
+ ATOM 112 C C5 . DC A 1 6 ? 8.905 5.811 10.679 1.00 44.40 ? 6 DC A C5 1
1232
+ ATOM 113 C C6 . DC A 1 6 ? 9.703 5.736 9.596 1.00 45.07 ? 6 DC A C6 1
1233
+ ATOM 114 P P . DT A 1 7 ? 13.443 1.652 8.593 1.00 58.33 ? 7 DT A P 1
1234
+ ATOM 115 O OP1 . DT A 1 7 ? 14.330 0.730 7.823 1.00 56.83 ? 7 DT A OP1 1
1235
+ ATOM 116 O OP2 . DT A 1 7 ? 12.103 1.184 9.049 1.00 57.28 ? 7 DT A OP2 1
1236
+ ATOM 117 O "O5'" . DT A 1 7 ? 14.240 2.198 9.871 1.00 55.35 ? 7 DT A "O5'" 1
1237
+ ATOM 118 C "C5'" . DT A 1 7 ? 15.552 2.742 9.715 1.00 50.61 ? 7 DT A "C5'" 1
1238
+ ATOM 119 C "C4'" . DT A 1 7 ? 15.949 3.556 10.923 1.00 49.05 ? 7 DT A "C4'" 1
1239
+ ATOM 120 O "O4'" . DT A 1 7 ? 15.003 4.619 11.171 1.00 48.64 ? 7 DT A "O4'" 1
1240
+ ATOM 121 C "C3'" . DT A 1 7 ? 16.003 2.794 12.237 1.00 49.23 ? 7 DT A "C3'" 1
1241
+ ATOM 122 O "O3'" . DT A 1 7 ? 17.249 2.100 12.330 1.00 49.14 ? 7 DT A "O3'" 1
1242
+ ATOM 123 C "C2'" . DT A 1 7 ? 15.909 3.920 13.254 1.00 46.94 ? 7 DT A "C2'" 1
1243
+ ATOM 124 C "C1'" . DT A 1 7 ? 14.947 4.896 12.575 1.00 45.43 ? 7 DT A "C1'" 1
1244
+ ATOM 125 N N1 . DT A 1 7 ? 13.562 4.710 13.018 1.00 42.62 ? 7 DT A N1 1
1245
+ ATOM 126 C C2 . DT A 1 7 ? 13.182 5.299 14.204 1.00 40.86 ? 7 DT A C2 1
1246
+ ATOM 127 O O2 . DT A 1 7 ? 13.925 6.012 14.861 1.00 41.78 ? 7 DT A O2 1
1247
+ ATOM 128 N N3 . DT A 1 7 ? 11.896 5.035 14.591 1.00 37.79 ? 7 DT A N3 1
1248
+ ATOM 129 C C4 . DT A 1 7 ? 10.964 4.285 13.920 1.00 39.62 ? 7 DT A C4 1
1249
+ ATOM 130 O O4 . DT A 1 7 ? 9.832 4.146 14.394 1.00 40.58 ? 7 DT A O4 1
1250
+ ATOM 131 C C5 . DT A 1 7 ? 11.420 3.716 12.660 1.00 41.37 ? 7 DT A C5 1
1251
+ ATOM 132 C C7 . DT A 1 7 ? 10.467 2.897 11.845 1.00 39.01 ? 7 DT A C7 1
1252
+ ATOM 133 C C6 . DT A 1 7 ? 12.683 3.953 12.280 1.00 41.28 ? 7 DT A C6 1
1253
+ ATOM 134 P P . DT A 1 8 ? 17.339 0.734 13.171 1.00 51.09 ? 8 DT A P 1
1254
+ ATOM 135 O OP1 . DT A 1 8 ? 18.616 0.079 12.777 1.00 50.75 ? 8 DT A OP1 1
1255
+ ATOM 136 O OP2 . DT A 1 8 ? 16.042 0.002 12.999 1.00 45.81 ? 8 DT A OP2 1
1256
+ ATOM 137 O "O5'" . DT A 1 8 ? 17.488 1.232 14.684 1.00 49.29 ? 8 DT A "O5'" 1
1257
+ ATOM 138 C "C5'" . DT A 1 8 ? 18.578 2.060 15.063 1.00 47.19 ? 8 DT A "C5'" 1
1258
+ ATOM 139 C "C4'" . DT A 1 8 ? 18.342 2.603 16.448 1.00 48.76 ? 8 DT A "C4'" 1
1259
+ ATOM 140 O "O4'" . DT A 1 8 ? 17.050 3.221 16.447 1.00 49.03 ? 8 DT A "O4'" 1
1260
+ ATOM 141 C "C3'" . DT A 1 8 ? 18.282 1.558 17.558 1.00 49.30 ? 8 DT A "C3'" 1
1261
+ ATOM 142 O "O3'" . DT A 1 8 ? 19.588 1.471 18.144 1.00 52.31 ? 8 DT A "O3'" 1
1262
+ ATOM 143 C "C2'" . DT A 1 8 ? 17.330 2.176 18.564 1.00 47.87 ? 8 DT A "C2'" 1
1263
+ ATOM 144 C "C1'" . DT A 1 8 ? 16.469 3.116 17.736 1.00 47.13 ? 8 DT A "C1'" 1
1264
+ ATOM 145 N N1 . DT A 1 8 ? 15.061 2.755 17.566 1.00 43.96 ? 8 DT A N1 1
1265
+ ATOM 146 C C2 . DT A 1 8 ? 14.209 3.108 18.571 1.00 42.98 ? 8 DT A C2 1
1266
+ ATOM 147 O O2 . DT A 1 8 ? 14.594 3.605 19.612 1.00 43.22 ? 8 DT A O2 1
1267
+ ATOM 148 N N3 . DT A 1 8 ? 12.886 2.859 18.315 1.00 42.10 ? 8 DT A N3 1
1268
+ ATOM 149 C C4 . DT A 1 8 ? 12.353 2.290 17.178 1.00 41.63 ? 8 DT A C4 1
1269
+ ATOM 150 O O4 . DT A 1 8 ? 11.136 2.162 17.067 1.00 40.59 ? 8 DT A O4 1
1270
+ ATOM 151 C C5 . DT A 1 8 ? 13.318 1.892 16.179 1.00 42.07 ? 8 DT A C5 1
1271
+ ATOM 152 C C7 . DT A 1 8 ? 12.833 1.236 14.925 1.00 39.96 ? 8 DT A C7 1
1272
+ ATOM 153 C C6 . DT A 1 8 ? 14.613 2.136 16.423 1.00 42.64 ? 8 DT A C6 1
1273
+ ATOM 154 P P . DC A 1 9 ? 19.888 0.386 19.292 1.00 54.45 ? 9 DC A P 1
1274
+ ATOM 155 O OP1 . DC A 1 9 ? 21.270 0.584 19.837 1.00 53.69 ? 9 DC A OP1 1
1275
+ ATOM 156 O OP2 . DC A 1 9 ? 19.510 -0.906 18.662 1.00 53.53 ? 9 DC A OP2 1
1276
+ ATOM 157 O "O5'" . DC A 1 9 ? 18.843 0.710 20.458 1.00 54.25 ? 9 DC A "O5'" 1
1277
+ ATOM 158 C "C5'" . DC A 1 9 ? 19.102 1.719 21.436 1.00 53.48 ? 9 DC A "C5'" 1
1278
+ ATOM 159 C "C4'" . DC A 1 9 ? 18.004 1.727 22.477 1.00 53.16 ? 9 DC A "C4'" 1
1279
+ ATOM 160 O "O4'" . DC A 1 9 ? 16.749 2.045 21.853 1.00 54.31 ? 9 DC A "O4'" 1
1280
+ ATOM 161 C "C3'" . DC A 1 9 ? 17.752 0.392 23.168 1.00 52.69 ? 9 DC A "C3'" 1
1281
+ ATOM 162 O "O3'" . DC A 1 9 ? 18.578 0.374 24.321 1.00 53.58 ? 9 DC A "O3'" 1
1282
+ ATOM 163 C "C2'" . DC A 1 9 ? 16.305 0.493 23.605 1.00 52.94 ? 9 DC A "C2'" 1
1283
+ ATOM 164 C "C1'" . DC A 1 9 ? 15.689 1.467 22.608 1.00 52.02 ? 9 DC A "C1'" 1
1284
+ ATOM 165 N N1 . DC A 1 9 ? 14.718 0.893 21.671 1.00 51.19 ? 9 DC A N1 1
1285
+ ATOM 166 C C2 . DC A 1 9 ? 13.369 0.935 22.021 1.00 49.41 ? 9 DC A C2 1
1286
+ ATOM 167 O O2 . DC A 1 9 ? 13.060 1.412 23.118 1.00 49.80 ? 9 DC A O2 1
1287
+ ATOM 168 N N3 . DC A 1 9 ? 12.439 0.465 21.160 1.00 49.16 ? 9 DC A N3 1
1288
+ ATOM 169 C C4 . DC A 1 9 ? 12.818 -0.029 19.980 1.00 49.30 ? 9 DC A C4 1
1289
+ ATOM 170 N N4 . DC A 1 9 ? 11.859 -0.425 19.140 1.00 47.78 ? 9 DC A N4 1
1290
+ ATOM 171 C C5 . DC A 1 9 ? 14.198 -0.122 19.605 1.00 50.21 ? 9 DC A C5 1
1291
+ ATOM 172 C C6 . DC A 1 9 ? 15.108 0.348 20.477 1.00 50.54 ? 9 DC A C6 1
1292
+ ATOM 173 O "O5'" . G B 2 1 ? 2.401 1.380 23.390 1.00 63.29 ? 10 G B "O5'" 1
1293
+ ATOM 174 C "C5'" . G B 2 1 ? 2.242 1.265 24.819 1.00 60.19 ? 10 G B "C5'" 1
1294
+ ATOM 175 C "C4'" . G B 2 1 ? 3.547 1.466 25.548 1.00 58.43 ? 10 G B "C4'" 1
1295
+ ATOM 176 O "O4'" . G B 2 1 ? 4.424 0.331 25.316 1.00 56.50 ? 10 G B "O4'" 1
1296
+ ATOM 177 C "C3'" . G B 2 1 ? 4.353 2.664 25.081 1.00 57.87 ? 10 G B "C3'" 1
1297
+ ATOM 178 O "O3'" . G B 2 1 ? 3.904 3.844 25.719 1.00 58.61 ? 10 G B "O3'" 1
1298
+ ATOM 179 C "C2'" . G B 2 1 ? 5.764 2.281 25.506 1.00 56.95 ? 10 G B "C2'" 1
1299
+ ATOM 180 O "O2'" . G B 2 1 ? 6.028 2.511 26.880 1.00 58.56 ? 10 G B "O2'" 1
1300
+ ATOM 181 C "C1'" . G B 2 1 ? 5.764 0.781 25.208 1.00 54.64 ? 10 G B "C1'" 1
1301
+ ATOM 182 N N9 . G B 2 1 ? 6.248 0.507 23.857 1.00 51.42 ? 10 G B N9 1
1302
+ ATOM 183 C C8 . G B 2 1 ? 5.514 0.185 22.743 1.00 50.44 ? 10 G B C8 1
1303
+ ATOM 184 N N7 . G B 2 1 ? 6.247 0.054 21.671 1.00 49.26 ? 10 G B N7 1
1304
+ ATOM 185 C C5 . G B 2 1 ? 7.541 0.297 22.111 1.00 47.88 ? 10 G B C5 1
1305
+ ATOM 186 C C6 . G B 2 1 ? 8.766 0.321 21.403 1.00 47.31 ? 10 G B C6 1
1306
+ ATOM 187 O O6 . G B 2 1 ? 8.968 0.130 20.197 1.00 48.04 ? 10 G B O6 1
1307
+ ATOM 188 N N1 . G B 2 1 ? 9.833 0.609 22.244 1.00 45.45 ? 10 G B N1 1
1308
+ ATOM 189 C C2 . G B 2 1 ? 9.733 0.848 23.588 1.00 46.70 ? 10 G B C2 1
1309
+ ATOM 190 N N2 . G B 2 1 ? 10.876 1.114 24.245 1.00 48.12 ? 10 G B N2 1
1310
+ ATOM 191 N N3 . G B 2 1 ? 8.603 0.833 24.250 1.00 48.09 ? 10 G B N3 1
1311
+ ATOM 192 C C4 . G B 2 1 ? 7.555 0.557 23.457 1.00 48.72 ? 10 G B C4 1
1312
+ ATOM 193 P P . A B 2 2 ? 4.347 5.277 25.148 1.00 61.46 ? 11 A B P 1
1313
+ ATOM 194 O OP1 . A B 2 2 ? 3.765 6.303 26.069 1.00 62.02 ? 11 A B OP1 1
1314
+ ATOM 195 O OP2 . A B 2 2 ? 4.067 5.346 23.677 1.00 60.55 ? 11 A B OP2 1
1315
+ ATOM 196 O "O5'" . A B 2 2 ? 5.928 5.308 25.346 1.00 60.25 ? 11 A B "O5'" 1
1316
+ ATOM 197 C "C5'" . A B 2 2 ? 6.492 5.549 26.629 1.00 57.50 ? 11 A B "C5'" 1
1317
+ ATOM 198 C "C4'" . A B 2 2 ? 7.985 5.657 26.513 1.00 55.71 ? 11 A B "C4'" 1
1318
+ ATOM 199 O "O4'" . A B 2 2 ? 8.475 4.431 25.911 1.00 52.33 ? 11 A B "O4'" 1
1319
+ ATOM 200 C "C3'" . A B 2 2 ? 8.491 6.734 25.567 1.00 56.54 ? 11 A B "C3'" 1
1320
+ ATOM 201 O "O3'" . A B 2 2 ? 8.534 8.031 26.160 1.00 60.05 ? 11 A B "O3'" 1
1321
+ ATOM 202 C "C2'" . A B 2 2 ? 9.879 6.212 25.225 1.00 53.81 ? 11 A B "C2'" 1
1322
+ ATOM 203 O "O2'" . A B 2 2 ? 10.845 6.430 26.235 1.00 52.14 ? 11 A B "O2'" 1
1323
+ ATOM 204 C "C1'" . A B 2 2 ? 9.594 4.718 25.093 1.00 50.26 ? 11 A B "C1'" 1
1324
+ ATOM 205 N N9 . A B 2 2 ? 9.253 4.383 23.717 1.00 44.99 ? 11 A B N9 1
1325
+ ATOM 206 C C8 . A B 2 2 ? 8.018 4.214 23.157 1.00 42.02 ? 11 A B C8 1
1326
+ ATOM 207 N N7 . A B 2 2 ? 8.056 3.931 21.883 1.00 41.01 ? 11 A B N7 1
1327
+ ATOM 208 C C5 . A B 2 2 ? 9.415 3.901 21.589 1.00 39.48 ? 11 A B C5 1
1328
+ ATOM 209 C C6 . A B 2 2 ? 10.126 3.639 20.395 1.00 37.22 ? 11 A B C6 1
1329
+ ATOM 210 N N6 . A B 2 2 ? 9.547 3.309 19.258 1.00 36.15 ? 11 A B N6 1
1330
+ ATOM 211 N N1 . A B 2 2 ? 11.467 3.713 20.429 1.00 38.02 ? 11 A B N1 1
1331
+ ATOM 212 C C2 . A B 2 2 ? 12.057 4.003 21.606 1.00 41.12 ? 11 A B C2 1
1332
+ ATOM 213 N N3 . A B 2 2 ? 11.496 4.244 22.798 1.00 39.43 ? 11 A B N3 1
1333
+ ATOM 214 C C4 . A B 2 2 ? 10.157 4.180 22.710 1.00 40.02 ? 11 A B C4 1
1334
+ ATOM 215 P P . A B 2 3 ? 8.635 9.335 25.212 1.00 63.37 ? 12 A B P 1
1335
+ ATOM 216 O OP1 . A B 2 3 ? 8.314 10.534 26.033 1.00 62.69 ? 12 A B OP1 1
1336
+ ATOM 217 O OP2 . A B 2 3 ? 7.882 9.072 23.937 1.00 61.72 ? 12 A B OP2 1
1337
+ ATOM 218 O "O5'" . A B 2 3 ? 10.181 9.422 24.838 1.00 62.49 ? 12 A B "O5'" 1
1338
+ ATOM 219 C "C5'" . A B 2 3 ? 10.600 10.058 23.643 1.00 58.21 ? 12 A B "C5'" 1
1339
+ ATOM 220 C "C4'" . A B 2 3 ? 11.866 9.426 23.138 1.00 56.15 ? 12 A B "C4'" 1
1340
+ ATOM 221 O "O4'" . A B 2 3 ? 11.660 8.011 22.865 1.00 54.79 ? 12 A B "O4'" 1
1341
+ ATOM 222 C "C3'" . A B 2 3 ? 12.295 9.986 21.803 1.00 56.57 ? 12 A B "C3'" 1
1342
+ ATOM 223 O "O3'" . A B 2 3 ? 12.989 11.192 22.020 1.00 58.85 ? 12 A B "O3'" 1
1343
+ ATOM 224 C "C2'" . A B 2 3 ? 13.158 8.870 21.238 1.00 53.79 ? 12 A B "C2'" 1
1344
+ ATOM 225 O "O2'" . A B 2 3 ? 14.460 8.857 21.794 1.00 53.07 ? 12 A B "O2'" 1
1345
+ ATOM 226 C "C1'" . A B 2 3 ? 12.359 7.644 21.681 1.00 51.38 ? 12 A B "C1'" 1
1346
+ ATOM 227 N N9 . A B 2 3 ? 11.362 7.243 20.689 1.00 47.72 ? 12 A B N9 1
1347
+ ATOM 228 C C8 . A B 2 3 ? 10.003 7.216 20.835 1.00 46.41 ? 12 A B C8 1
1348
+ ATOM 229 N N7 . A B 2 3 ? 9.370 6.791 19.772 1.00 45.13 ? 12 A B N7 1
1349
+ ATOM 230 C C5 . A B 2 3 ? 10.381 6.534 18.868 1.00 43.96 ? 12 A B C5 1
1350
+ ATOM 231 C C6 . A B 2 3 ? 10.368 6.058 17.540 1.00 44.51 ? 12 A B C6 1
1351
+ ATOM 232 N N6 . A B 2 3 ? 9.254 5.736 16.872 1.00 40.67 ? 12 A B N6 1
1352
+ ATOM 233 N N1 . A B 2 3 ? 11.555 5.915 16.919 1.00 44.75 ? 12 A B N1 1
1353
+ ATOM 234 C C2 . A B 2 3 ? 12.670 6.221 17.595 1.00 45.37 ? 12 A B C2 1
1354
+ ATOM 235 N N3 . A B 2 3 ? 12.804 6.670 18.842 1.00 44.41 ? 12 A B N3 1
1355
+ ATOM 236 C C4 . A B 2 3 ? 11.612 6.806 19.421 1.00 43.14 ? 12 A B C4 1
1356
+ ATOM 237 P P . G B 2 4 ? 12.485 12.521 21.291 1.00 58.59 ? 13 G B P 1
1357
+ ATOM 238 O OP1 . G B 2 4 ? 12.814 13.630 22.223 1.00 59.81 ? 13 G B OP1 1
1358
+ ATOM 239 O OP2 . G B 2 4 ? 11.076 12.296 20.874 1.00 59.05 ? 13 G B OP2 1
1359
+ ATOM 240 O "O5'" . G B 2 4 ? 13.418 12.594 20.007 1.00 55.62 ? 13 G B "O5'" 1
1360
+ ATOM 241 C "C5'" . G B 2 4 ? 14.826 12.546 20.175 1.00 55.33 ? 13 G B "C5'" 1
1361
+ ATOM 242 C "C4'" . G B 2 4 ? 15.504 12.077 18.915 1.00 55.17 ? 13 G B "C4'" 1
1362
+ ATOM 243 O "O4'" . G B 2 4 ? 15.243 10.665 18.657 1.00 53.71 ? 13 G B "O4'" 1
1363
+ ATOM 244 C "C3'" . G B 2 4 ? 15.020 12.746 17.649 1.00 56.77 ? 13 G B "C3'" 1
1364
+ ATOM 245 O "O3'" . G B 2 4 ? 15.489 14.083 17.556 1.00 56.94 ? 13 G B "O3'" 1
1365
+ ATOM 246 C "C2'" . G B 2 4 ? 15.552 11.782 16.596 1.00 54.57 ? 13 G B "C2'" 1
1366
+ ATOM 247 O "O2'" . G B 2 4 ? 16.964 11.877 16.453 1.00 55.36 ? 13 G B "O2'" 1
1367
+ ATOM 248 C "C1'" . G B 2 4 ? 15.185 10.446 17.249 1.00 52.08 ? 13 G B "C1'" 1
1368
+ ATOM 249 N N9 . G B 2 4 ? 13.832 10.007 16.903 1.00 48.56 ? 13 G B N9 1
1369
+ ATOM 250 C C8 . G B 2 4 ? 12.711 9.983 17.710 1.00 46.96 ? 13 G B C8 1
1370
+ ATOM 251 N N7 . G B 2 4 ? 11.648 9.517 17.101 1.00 45.29 ? 13 G B N7 1
1371
+ ATOM 252 C C5 . G B 2 4 ? 12.091 9.224 15.812 1.00 44.14 ? 13 G B C5 1
1372
+ ATOM 253 C C6 . G B 2 4 ? 11.392 8.695 14.679 1.00 41.53 ? 13 G B C6 1
1373
+ ATOM 254 O O6 . G B 2 4 ? 10.201 8.373 14.579 1.00 41.58 ? 13 G B O6 1
1374
+ ATOM 255 N N1 . G B 2 4 ? 12.230 8.560 13.578 1.00 39.21 ? 13 G B N1 1
1375
+ ATOM 256 C C2 . G B 2 4 ? 13.562 8.894 13.549 1.00 42.54 ? 13 G B C2 1
1376
+ ATOM 257 N N2 . G B 2 4 ? 14.204 8.713 12.375 1.00 41.55 ? 13 G B N2 1
1377
+ ATOM 258 N N3 . G B 2 4 ? 14.226 9.379 14.591 1.00 44.87 ? 13 G B N3 1
1378
+ ATOM 259 C C4 . G B 2 4 ? 13.435 9.521 15.678 1.00 46.32 ? 13 G B C4 1
1379
+ ATOM 260 P P . A B 2 5 ? 14.449 15.253 17.163 1.00 59.65 ? 14 A B P 1
1380
+ ATOM 261 O OP1 . A B 2 5 ? 15.284 16.499 17.167 1.00 61.05 ? 14 A B OP1 1
1381
+ ATOM 262 O OP2 . A B 2 5 ? 13.187 15.177 17.985 1.00 55.72 ? 14 A B OP2 1
1382
+ ATOM 263 O "O5'" . A B 2 5 ? 14.076 14.929 15.643 1.00 55.18 ? 14 A B "O5'" 1
1383
+ ATOM 264 C "C5'" . A B 2 5 ? 15.094 14.985 14.664 1.00 49.68 ? 14 A B "C5'" 1
1384
+ ATOM 265 C "C4'" . A B 2 5 ? 14.630 14.389 13.371 1.00 47.11 ? 14 A B "C4'" 1
1385
+ ATOM 266 O "O4'" . A B 2 5 ? 14.229 13.010 13.557 1.00 45.02 ? 14 A B "O4'" 1
1386
+ ATOM 267 C "C3'" . A B 2 5 ? 13.402 14.965 12.708 1.00 45.61 ? 14 A B "C3'" 1
1387
+ ATOM 268 O "O3'" . A B 2 5 ? 13.675 16.222 12.124 1.00 46.42 ? 14 A B "O3'" 1
1388
+ ATOM 269 C "C2'" . A B 2 5 ? 13.183 13.893 11.653 1.00 45.37 ? 14 A B "C2'" 1
1389
+ ATOM 270 O "O2'" . A B 2 5 ? 14.253 13.893 10.720 1.00 44.46 ? 14 A B "O2'" 1
1390
+ ATOM 271 C "C1'" . A B 2 5 ? 13.328 12.642 12.514 1.00 41.47 ? 14 A B "C1'" 1
1391
+ ATOM 272 N N9 . A B 2 5 ? 12.049 12.273 13.112 1.00 36.76 ? 14 A B N9 1
1392
+ ATOM 273 C C8 . A B 2 5 ? 11.608 12.521 14.394 1.00 35.34 ? 14 A B C8 1
1393
+ ATOM 274 N N7 . A B 2 5 ? 10.395 12.072 14.632 1.00 34.54 ? 14 A B N7 1
1394
+ ATOM 275 C C5 . A B 2 5 ? 10.010 11.490 13.430 1.00 32.73 ? 14 A B C5 1
1395
+ ATOM 276 C C6 . A B 2 5 ? 8.835 10.841 13.022 1.00 31.90 ? 14 A B C6 1
1396
+ ATOM 277 N N6 . A B 2 5 ? 7.787 10.642 13.821 1.00 31.09 ? 14 A B N6 1
1397
+ ATOM 278 N N1 . A B 2 5 ? 8.774 10.385 11.738 1.00 30.77 ? 14 A B N1 1
1398
+ ATOM 279 C C2 . A B 2 5 ? 9.838 10.562 10.952 1.00 26.29 ? 14 A B C2 1
1399
+ ATOM 280 N N3 . A B 2 5 ? 10.996 11.149 11.220 1.00 29.32 ? 14 A B N3 1
1400
+ ATOM 281 C C4 . A B 2 5 ? 11.022 11.604 12.483 1.00 34.75 ? 14 A B C4 1
1401
+ ATOM 282 P P . G B 2 6 ? 12.501 17.316 12.014 1.00 46.80 ? 15 G B P 1
1402
+ ATOM 283 O OP1 . G B 2 6 ? 13.203 18.609 11.798 1.00 47.04 ? 15 G B OP1 1
1403
+ ATOM 284 O OP2 . G B 2 6 ? 11.564 17.166 13.156 1.00 41.84 ? 15 G B OP2 1
1404
+ ATOM 285 O "O5'" . G B 2 6 ? 11.733 16.907 10.672 1.00 43.82 ? 15 G B "O5'" 1
1405
+ ATOM 286 C "C5'" . G B 2 6 ? 12.463 16.676 9.471 1.00 42.61 ? 15 G B "C5'" 1
1406
+ ATOM 287 C "C4'" . G B 2 6 ? 11.595 15.987 8.441 1.00 43.36 ? 15 G B "C4'" 1
1407
+ ATOM 288 O "O4'" . G B 2 6 ? 11.212 14.666 8.896 1.00 41.06 ? 15 G B "O4'" 1
1408
+ ATOM 289 C "C3'" . G B 2 6 ? 10.278 16.667 8.124 1.00 44.16 ? 15 G B "C3'" 1
1409
+ ATOM 290 O "O3'" . G B 2 6 ? 10.504 17.684 7.156 1.00 47.24 ? 15 G B "O3'" 1
1410
+ ATOM 291 C "C2'" . G B 2 6 ? 9.475 15.520 7.525 1.00 41.99 ? 15 G B "C2'" 1
1411
+ ATOM 292 O "O2'" . G B 2 6 ? 9.850 15.292 6.178 1.00 40.56 ? 15 G B "O2'" 1
1412
+ ATOM 293 C "C1'" . G B 2 6 ? 9.928 14.345 8.398 1.00 39.64 ? 15 G B "C1'" 1
1413
+ ATOM 294 N N9 . G B 2 6 ? 9.059 14.108 9.540 1.00 38.36 ? 15 G B N9 1
1414
+ ATOM 295 C C8 . G B 2 6 ? 9.187 14.646 10.800 1.00 36.84 ? 15 G B C8 1
1415
+ ATOM 296 N N7 . G B 2 6 ? 8.232 14.277 11.613 1.00 36.41 ? 15 G B N7 1
1416
+ ATOM 297 C C5 . G B 2 6 ? 7.435 13.428 10.849 1.00 35.88 ? 15 G B C5 1
1417
+ ATOM 298 C C6 . G B 2 6 ? 6.245 12.733 11.184 1.00 36.20 ? 15 G B C6 1
1418
+ ATOM 299 O O6 . G B 2 6 ? 5.645 12.713 12.267 1.00 39.54 ? 15 G B O6 1
1419
+ ATOM 300 N N1 . G B 2 6 ? 5.744 12.012 10.102 1.00 35.14 ? 15 G B N1 1
1420
+ ATOM 301 C C2 . G B 2 6 ? 6.325 11.966 8.856 1.00 36.98 ? 15 G B C2 1
1421
+ ATOM 302 N N2 . G B 2 6 ? 5.703 11.228 7.928 1.00 37.00 ? 15 G B N2 1
1422
+ ATOM 303 N N3 . G B 2 6 ? 7.441 12.602 8.535 1.00 38.04 ? 15 G B N3 1
1423
+ ATOM 304 C C4 . G B 2 6 ? 7.935 13.313 9.569 1.00 37.91 ? 15 G B C4 1
1424
+ ATOM 305 P P . A B 2 7 ? 10.347 19.228 7.571 1.00 49.14 ? 16 A B P 1
1425
+ ATOM 306 O OP1 . A B 2 7 ? 11.705 19.672 8.014 1.00 48.97 ? 16 A B OP1 1
1426
+ ATOM 307 O OP2 . A B 2 7 ? 9.175 19.385 8.481 1.00 44.39 ? 16 A B OP2 1
1427
+ ATOM 308 O "O5'" . A B 2 7 ? 10.036 19.956 6.185 1.00 45.69 ? 16 A B "O5'" 1
1428
+ ATOM 309 C "C5'" . A B 2 7 ? 8.709 20.171 5.740 1.00 43.04 ? 16 A B "C5'" 1
1429
+ ATOM 310 C "C4'" . A B 2 7 ? 8.732 20.514 4.272 1.00 42.59 ? 16 A B "C4'" 1
1430
+ ATOM 311 O "O4'" . A B 2 7 ? 9.549 21.698 4.086 1.00 41.49 ? 16 A B "O4'" 1
1431
+ ATOM 312 C "C3'" . A B 2 7 ? 9.418 19.465 3.414 1.00 44.38 ? 16 A B "C3'" 1
1432
+ ATOM 313 O "O3'" . A B 2 7 ? 8.496 18.451 3.043 1.00 45.10 ? 16 A B "O3'" 1
1433
+ ATOM 314 C "C2'" . A B 2 7 ? 9.895 20.289 2.221 1.00 43.21 ? 16 A B "C2'" 1
1434
+ ATOM 315 O "O2'" . A B 2 7 ? 8.873 20.647 1.317 1.00 43.61 ? 16 A B "O2'" 1
1435
+ ATOM 316 C "C1'" . A B 2 7 ? 10.361 21.554 2.929 1.00 42.83 ? 16 A B "C1'" 1
1436
+ ATOM 317 N N9 . A B 2 7 ? 11.749 21.416 3.357 1.00 43.12 ? 16 A B N9 1
1437
+ ATOM 318 C C8 . A B 2 7 ? 12.234 21.116 4.605 1.00 41.84 ? 16 A B C8 1
1438
+ ATOM 319 N N7 . A B 2 7 ? 13.537 21.002 4.649 1.00 42.80 ? 16 A B N7 1
1439
+ ATOM 320 C C5 . A B 2 7 ? 13.942 21.263 3.344 1.00 44.42 ? 16 A B C5 1
1440
+ ATOM 321 C C6 . A B 2 7 ? 15.213 21.307 2.728 1.00 46.39 ? 16 A B C6 1
1441
+ ATOM 322 N N6 . A B 2 7 ? 16.359 21.085 3.368 1.00 46.68 ? 16 A B N6 1
1442
+ ATOM 323 N N1 . A B 2 7 ? 15.265 21.600 1.412 1.00 46.29 ? 16 A B N1 1
1443
+ ATOM 324 C C2 . A B 2 7 ? 14.118 21.848 0.769 1.00 46.98 ? 16 A B C2 1
1444
+ ATOM 325 N N3 . A B 2 7 ? 12.868 21.845 1.237 1.00 45.49 ? 16 A B N3 1
1445
+ ATOM 326 C C4 . A B 2 7 ? 12.851 21.534 2.545 1.00 43.89 ? 16 A B C4 1
1446
+ ATOM 327 P P . G B 2 8 ? 8.812 16.912 3.379 1.00 45.40 ? 17 G B P 1
1447
+ ATOM 328 O OP1 . G B 2 8 ? 10.239 16.715 3.740 1.00 45.64 ? 17 G B OP1 1
1448
+ ATOM 329 O OP2 . G B 2 8 ? 8.221 16.154 2.234 1.00 46.50 ? 17 G B OP2 1
1449
+ ATOM 330 O "O5'" . G B 2 8 ? 7.954 16.638 4.685 1.00 42.95 ? 17 G B "O5'" 1
1450
+ ATOM 331 C "C5'" . G B 2 8 ? 6.599 17.041 4.739 1.00 41.93 ? 17 G B "C5'" 1
1451
+ ATOM 332 C "C4'" . G B 2 8 ? 5.717 15.844 4.603 1.00 40.72 ? 17 G B "C4'" 1
1452
+ ATOM 333 O "O4'" . G B 2 8 ? 6.026 14.916 5.665 1.00 41.32 ? 17 G B "O4'" 1
1453
+ ATOM 334 C "C3'" . G B 2 8 ? 4.253 16.094 4.818 1.00 42.64 ? 17 G B "C3'" 1
1454
+ ATOM 335 O "O3'" . G B 2 8 ? 3.706 16.659 3.653 1.00 46.50 ? 17 G B "O3'" 1
1455
+ ATOM 336 C "C2'" . G B 2 8 ? 3.761 14.689 5.085 1.00 41.95 ? 17 G B "C2'" 1
1456
+ ATOM 337 O "O2'" . G B 2 8 ? 3.749 13.900 3.918 1.00 45.44 ? 17 G B "O2'" 1
1457
+ ATOM 338 C "C1'" . G B 2 8 ? 4.877 14.179 5.990 1.00 40.12 ? 17 G B "C1'" 1
1458
+ ATOM 339 N N9 . G B 2 8 ? 4.561 14.428 7.386 1.00 39.05 ? 17 G B N9 1
1459
+ ATOM 340 C C8 . G B 2 8 ? 5.235 15.210 8.298 1.00 35.78 ? 17 G B C8 1
1460
+ ATOM 341 N N7 . G B 2 8 ? 4.664 15.224 9.476 1.00 35.02 ? 17 G B N7 1
1461
+ ATOM 342 C C5 . G B 2 8 ? 3.557 14.394 9.328 1.00 35.09 ? 17 G B C5 1
1462
+ ATOM 343 C C6 . G B 2 8 ? 2.561 14.016 10.261 1.00 35.34 ? 17 G B C6 1
1463
+ ATOM 344 O O6 . G B 2 8 ? 2.473 14.337 11.456 1.00 38.59 ? 17 G B O6 1
1464
+ ATOM 345 N N1 . G B 2 8 ? 1.600 13.180 9.680 1.00 34.21 ? 17 G B N1 1
1465
+ ATOM 346 C C2 . G B 2 8 ? 1.610 12.770 8.352 1.00 37.14 ? 17 G B C2 1
1466
+ ATOM 347 N N2 . G B 2 8 ? 0.591 12.007 7.932 1.00 38.23 ? 17 G B N2 1
1467
+ ATOM 348 N N3 . G B 2 8 ? 2.554 13.098 7.487 1.00 35.41 ? 17 G B N3 1
1468
+ ATOM 349 C C4 . G B 2 8 ? 3.481 13.906 8.039 1.00 36.68 ? 17 G B C4 1
1469
+ ATOM 350 P P . A B 2 9 ? 2.655 17.855 3.792 1.00 45.39 ? 18 A B P 1
1470
+ ATOM 351 O OP1 . A B 2 9 ? 2.539 18.482 2.450 1.00 48.11 ? 18 A B OP1 1
1471
+ ATOM 352 O OP2 . A B 2 9 ? 3.068 18.670 4.962 1.00 50.32 ? 18 A B OP2 1
1472
+ ATOM 353 O "O5'" . A B 2 9 ? 1.297 17.103 4.136 1.00 46.44 ? 18 A B "O5'" 1
1473
+ ATOM 354 C "C5'" . A B 2 9 ? 0.712 16.280 3.145 1.00 47.58 ? 18 A B "C5'" 1
1474
+ ATOM 355 C "C4'" . A B 2 9 ? -0.449 15.514 3.693 1.00 45.91 ? 18 A B "C4'" 1
1475
+ ATOM 356 O "O4'" . A B 2 9 ? 0.004 14.642 4.755 1.00 44.17 ? 18 A B "O4'" 1
1476
+ ATOM 357 C "C3'" . A B 2 9 ? -1.550 16.331 4.332 1.00 47.39 ? 18 A B "C3'" 1
1477
+ ATOM 358 O "O3'" . A B 2 9 ? -2.397 16.929 3.349 1.00 47.80 ? 18 A B "O3'" 1
1478
+ ATOM 359 C "C2'" . A B 2 9 ? -2.249 15.259 5.155 1.00 46.12 ? 18 A B "C2'" 1
1479
+ ATOM 360 O "O2'" . A B 2 9 ? -3.103 14.426 4.391 1.00 49.19 ? 18 A B "O2'" 1
1480
+ ATOM 361 C "C1'" . A B 2 9 ? -1.042 14.474 5.684 1.00 44.36 ? 18 A B "C1'" 1
1481
+ ATOM 362 N N9 . A B 2 9 ? -0.616 15.071 6.935 1.00 42.08 ? 18 A B N9 1
1482
+ ATOM 363 C C8 . A B 2 9 ? 0.428 15.930 7.186 1.00 40.96 ? 18 A B C8 1
1483
+ ATOM 364 N N7 . A B 2 9 ? 0.474 16.349 8.430 1.00 41.26 ? 18 A B N7 1
1484
+ ATOM 365 C C5 . A B 2 9 ? -0.600 15.699 9.037 1.00 41.21 ? 18 A B C5 1
1485
+ ATOM 366 C C6 . A B 2 9 ? -1.110 15.724 10.350 1.00 40.32 ? 18 A B C6 1
1486
+ ATOM 367 N N6 . A B 2 9 ? -0.565 16.440 11.342 1.00 41.18 ? 18 A B N6 1
1487
+ ATOM 368 N N1 . A B 2 9 ? -2.214 14.978 10.610 1.00 39.23 ? 18 A B N1 1
1488
+ ATOM 369 C C2 . A B 2 9 ? -2.752 14.253 9.615 1.00 40.09 ? 18 A B C2 1
1489
+ ATOM 370 N N3 . A B 2 9 ? -2.356 14.140 8.348 1.00 40.55 ? 18 A B N3 1
1490
+ ATOM 371 C C4 . A B 2 9 ? -1.268 14.901 8.125 1.00 40.95 ? 18 A B C4 1
1491
+ ATOM 372 P P . G B 2 10 ? -2.986 18.407 3.595 1.00 47.68 ? 19 G B P 1
1492
+ ATOM 373 O OP1 . G B 2 10 ? -3.439 18.917 2.269 1.00 50.72 ? 19 G B OP1 1
1493
+ ATOM 374 O OP2 . G B 2 10 ? -2.059 19.229 4.423 1.00 49.43 ? 19 G B OP2 1
1494
+ ATOM 375 O "O5'" . G B 2 10 ? -4.257 18.151 4.510 1.00 48.49 ? 19 G B "O5'" 1
1495
+ ATOM 376 C "C5'" . G B 2 10 ? -5.297 17.306 4.068 1.00 46.35 ? 19 G B "C5'" 1
1496
+ ATOM 377 C "C4'" . G B 2 10 ? -6.107 16.867 5.237 1.00 45.43 ? 19 G B "C4'" 1
1497
+ ATOM 378 O "O4'" . G B 2 10 ? -5.241 16.178 6.174 1.00 44.25 ? 19 G B "O4'" 1
1498
+ ATOM 379 C "C3'" . G B 2 10 ? -6.651 17.989 6.100 1.00 46.01 ? 19 G B "C3'" 1
1499
+ ATOM 380 O "O3'" . G B 2 10 ? -7.758 18.712 5.573 1.00 47.39 ? 19 G B "O3'" 1
1500
+ ATOM 381 C "C2'" . G B 2 10 ? -7.007 17.225 7.360 1.00 44.86 ? 19 G B "C2'" 1
1501
+ ATOM 382 O "O2'" . G B 2 10 ? -8.210 16.499 7.204 1.00 46.09 ? 19 G B "O2'" 1
1502
+ ATOM 383 C "C1'" . G B 2 10 ? -5.805 16.282 7.471 1.00 42.66 ? 19 G B "C1'" 1
1503
+ ATOM 384 N N9 . G B 2 10 ? -4.846 16.921 8.355 1.00 41.29 ? 19 G B N9 1
1504
+ ATOM 385 C C8 . G B 2 10 ? -3.757 17.692 8.024 1.00 40.20 ? 19 G B C8 1
1505
+ ATOM 386 N N7 . G B 2 10 ? -3.180 18.231 9.069 1.00 37.03 ? 19 G B N7 1
1506
+ ATOM 387 C C5 . G B 2 10 ? -3.917 17.763 10.143 1.00 38.06 ? 19 G B C5 1
1507
+ ATOM 388 C C6 . G B 2 10 ? -3.779 18.014 11.528 1.00 37.65 ? 19 G B C6 1
1508
+ ATOM 389 O O6 . G B 2 10 ? -2.953 18.739 12.104 1.00 37.86 ? 19 G B O6 1
1509
+ ATOM 390 N N1 . G B 2 10 ? -4.735 17.320 12.267 1.00 37.36 ? 19 G B N1 1
1510
+ ATOM 391 C C2 . G B 2 10 ? -5.694 16.489 11.739 1.00 37.81 ? 19 G B C2 1
1511
+ ATOM 392 N N2 . G B 2 10 ? -6.513 15.905 12.616 1.00 36.81 ? 19 G B N2 1
1512
+ ATOM 393 N N3 . G B 2 10 ? -5.836 16.251 10.445 1.00 36.37 ? 19 G B N3 1
1513
+ ATOM 394 C C4 . G B 2 10 ? -4.925 16.921 9.716 1.00 39.04 ? 19 G B C4 1
1514
+ HETATM 395 O O . HOH C 3 . ? 9.775 10.281 3.757 1.00 56.46 ? 103 HOH A O 1
1515
+ HETATM 396 O O . HOH C 3 . ? 6.554 -1.370 9.045 1.00 66.41 ? 106 HOH A O 1
1516
+ HETATM 397 O O . HOH C 3 . ? 2.565 0.383 4.729 1.00 62.27 ? 113 HOH A O 1
1517
+ HETATM 398 O O . HOH C 3 . ? 4.811 7.979 14.641 1.00 66.07 ? 117 HOH A O 1
1518
+ HETATM 399 O O . HOH C 3 . ? 1.655 2.503 12.372 1.00 51.48 ? 118 HOH A O 1
1519
+ HETATM 400 O O . HOH C 3 . ? 11.670 -0.889 10.353 1.00 64.58 ? 120 HOH A O 1
1520
+ HETATM 401 O O . HOH C 3 . ? 2.524 10.403 15.296 1.00 51.08 ? 121 HOH A O 1
1521
+ HETATM 402 O O . HOH D 3 . ? -0.172 20.280 8.280 1.00 40.28 ? 101 HOH B O 1
1522
+ HETATM 403 O O . HOH D 3 . ? 3.836 6.673 29.203 1.00 56.39 ? 102 HOH B O 1
1523
+ HETATM 404 O O . HOH D 3 . ? 11.631 19.764 18.331 1.00 49.51 ? 104 HOH B O 1
1524
+ HETATM 405 O O . HOH D 3 . ? 11.991 19.525 14.928 1.00 65.49 ? 105 HOH B O 1
1525
+ HETATM 406 O O . HOH D 3 . ? 11.408 21.464 10.216 1.00 54.21 ? 107 HOH B O 1
1526
+ HETATM 407 O O . HOH D 3 . ? 8.803 9.091 16.555 1.00 45.39 ? 108 HOH B O 1
1527
+ HETATM 408 O O . HOH D 3 . ? 8.440 -1.037 17.663 1.00 56.59 ? 109 HOH B O 1
1528
+ HETATM 409 O O . HOH D 3 . ? -0.676 20.361 11.228 1.00 63.65 ? 110 HOH B O 1
1529
+ HETATM 410 O O . HOH D 3 . ? 8.412 12.198 16.494 1.00 32.29 ? 111 HOH B O 1
1530
+ HETATM 411 O O . HOH D 3 . ? 4.496 9.724 28.019 1.00 45.10 ? 112 HOH B O 1
1531
+ HETATM 412 O O . HOH D 3 . ? 13.318 11.435 9.113 1.00 51.48 ? 114 HOH B O 1
1532
+ HETATM 413 O O . HOH D 3 . ? 2.059 18.344 9.483 1.00 60.15 ? 115 HOH B O 1
1533
+ HETATM 414 O O . HOH D 3 . ? 9.630 10.225 18.807 1.00 36.46 ? 116 HOH B O 1
1534
+ HETATM 415 O O . HOH D 3 . ? 0.255 21.615 5.018 1.00 45.47 ? 119 HOH B O 1
1535
+ HETATM 416 O O . HOH D 3 . ? 5.323 16.784 11.648 1.00 54.11 ? 122 HOH B O 1
1536
+ HETATM 417 O O . HOH D 3 . ? 15.374 18.523 13.522 1.00 54.33 ? 123 HOH B O 1
1537
+ #
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