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- structures/1ajt.cif +1534 -0
- structures/1h4q.cif +0 -0
- structures/1jbt.cif +0 -0
- structures/1oq0.cif +0 -0
- structures/1qwb.cif +0 -0
- structures/1sz1.cif +0 -0
- structures/1trj.cif +0 -0
- structures/1xst.cif +0 -0
- structures/1zdh.cif +0 -0
- structures/2dr8.cif +0 -0
- structures/2fdt.cif +0 -0
- structures/2jsg.cif +0 -0
- structures/2mxs.cif +0 -0
- structures/2o5i.cif +0 -0
- structures/2oom.cif +0 -0
- structures/2q1r.cif +0 -0
- structures/379d.cif +0 -0
- structures/3bnl.cif +0 -0
- structures/3bnn.cif +0 -0
- structures/3epl.cif +0 -0
- structures/3iqr.cif +0 -0
- structures/3lwv.cif +0 -0
- structures/3nna.cif +0 -0
- structures/3r2c.cif +0 -0
- structures/3uzs.cif +0 -0
- structures/3wc2.cif +0 -0
- structures/420d.cif +0 -0
- structures/4b5r.cif +0 -0
- structures/4boc.cif +0 -0
- structures/4gha.cif +0 -0
- structures/4kqy.cif +0 -0
- structures/4nya.cif +0 -0
- structures/4pr6.cif +0 -0
- structures/4yb0.cif +0 -0
- structures/5an9.cif +0 -0
- structures/5dqk.cif +0 -0
- structures/5fk1.cif +0 -0
- structures/5fk3.cif +0 -0
- structures/5fke.cif +0 -0
- structures/5fkg.cif +0 -0
- structures/5j2w.cif +0 -0
- structures/5o7h.cif +0 -0
- structures/5tc1.cif +0 -0
- structures/5vof.cif +0 -0
- structures/5vvs.cif +0 -0
- structures/5z71.cif +0 -0
- structures/6ahu.cif +0 -0
- structures/6d8a.cif +0 -0
- structures/6h61.cif +0 -0
- structures/6j4x.cif +0 -0
structures/1ajt.cif
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|
| 1 |
+
data_1AJT
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1AJT
|
| 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 1AJT pdb_00001ajt 10.2210/pdb1ajt/pdb
|
| 15 |
+
WWPDB D_1000170904 ? ?
|
| 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 1997-08-20
|
| 24 |
+
2 'Structure model' 1 1 2008-03-24
|
| 25 |
+
3 'Structure model' 1 2 2011-07-13
|
| 26 |
+
4 'Structure model' 1 3 2022-02-16
|
| 27 |
+
5 'Structure model' 1 4 2024-05-22
|
| 28 |
+
#
|
| 29 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 30 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 32 |
+
_pdbx_audit_revision_details.provider repository
|
| 33 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 34 |
+
_pdbx_audit_revision_details.description ?
|
| 35 |
+
_pdbx_audit_revision_details.details ?
|
| 36 |
+
#
|
| 37 |
+
loop_
|
| 38 |
+
_pdbx_audit_revision_group.ordinal
|
| 39 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 40 |
+
_pdbx_audit_revision_group.data_content_type
|
| 41 |
+
_pdbx_audit_revision_group.group
|
| 42 |
+
1 2 'Structure model' 'Version format compliance'
|
| 43 |
+
2 3 'Structure model' 'Version format compliance'
|
| 44 |
+
3 4 'Structure model' 'Database references'
|
| 45 |
+
4 4 'Structure model' 'Derived calculations'
|
| 46 |
+
5 4 'Structure model' Other
|
| 47 |
+
6 5 'Structure model' 'Data collection'
|
| 48 |
+
#
|
| 49 |
+
loop_
|
| 50 |
+
_pdbx_audit_revision_category.ordinal
|
| 51 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 52 |
+
_pdbx_audit_revision_category.data_content_type
|
| 53 |
+
_pdbx_audit_revision_category.category
|
| 54 |
+
1 4 'Structure model' database_2
|
| 55 |
+
2 4 'Structure model' pdbx_database_status
|
| 56 |
+
3 4 'Structure model' pdbx_struct_assembly
|
| 57 |
+
4 4 'Structure model' pdbx_struct_oper_list
|
| 58 |
+
5 5 'Structure model' chem_comp_atom
|
| 59 |
+
6 5 'Structure model' chem_comp_bond
|
| 60 |
+
#
|
| 61 |
+
loop_
|
| 62 |
+
_pdbx_audit_revision_item.ordinal
|
| 63 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 64 |
+
_pdbx_audit_revision_item.data_content_type
|
| 65 |
+
_pdbx_audit_revision_item.item
|
| 66 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 67 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 68 |
+
3 4 'Structure model' '_pdbx_database_status.process_site'
|
| 69 |
+
#
|
| 70 |
+
_pdbx_database_status.status_code REL
|
| 71 |
+
_pdbx_database_status.entry_id 1AJT
|
| 72 |
+
_pdbx_database_status.recvd_initial_deposition_date 1997-05-08
|
| 73 |
+
_pdbx_database_status.deposit_site ?
|
| 74 |
+
_pdbx_database_status.process_site BNL
|
| 75 |
+
_pdbx_database_status.status_code_sf ?
|
| 76 |
+
_pdbx_database_status.status_code_mr REL
|
| 77 |
+
_pdbx_database_status.SG_entry ?
|
| 78 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 79 |
+
_pdbx_database_status.status_code_cs ?
|
| 80 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 81 |
+
_pdbx_database_status.methods_development_category ?
|
| 82 |
+
#
|
| 83 |
+
_pdbx_database_related.db_name PDB
|
| 84 |
+
_pdbx_database_related.db_id 1AJL
|
| 85 |
+
_pdbx_database_related.details '1 STRUCTURE'
|
| 86 |
+
_pdbx_database_related.content_type unspecified
|
| 87 |
+
#
|
| 88 |
+
loop_
|
| 89 |
+
_audit_author.name
|
| 90 |
+
_audit_author.pdbx_ordinal
|
| 91 |
+
'Luebke, K.J.' 1
|
| 92 |
+
'Landry, S.M.' 2
|
| 93 |
+
'Tinoco Junior, I.' 3
|
| 94 |
+
#
|
| 95 |
+
_citation.id primary
|
| 96 |
+
_citation.title 'Solution conformation of a five-nucleotide RNA bulge loop from a group I intron.'
|
| 97 |
+
_citation.journal_abbrev Biochemistry
|
| 98 |
+
_citation.journal_volume 36
|
| 99 |
+
_citation.page_first 10246
|
| 100 |
+
_citation.page_last 10255
|
| 101 |
+
_citation.year 1997
|
| 102 |
+
_citation.journal_id_ASTM BICHAW
|
| 103 |
+
_citation.country US
|
| 104 |
+
_citation.journal_id_ISSN 0006-2960
|
| 105 |
+
_citation.journal_id_CSD 0033
|
| 106 |
+
_citation.book_publisher 'Berkeley : University of California, Berkeley (Thesis)'
|
| 107 |
+
_citation.pdbx_database_id_PubMed 9254623
|
| 108 |
+
_citation.pdbx_database_id_DOI 10.1021/bi9701540
|
| 109 |
+
#
|
| 110 |
+
loop_
|
| 111 |
+
_citation_author.citation_id
|
| 112 |
+
_citation_author.name
|
| 113 |
+
_citation_author.ordinal
|
| 114 |
+
_citation_author.identifier_ORCID
|
| 115 |
+
primary 'Luebke, K.J.' 1 ?
|
| 116 |
+
primary 'Landry, S.M.' 2 ?
|
| 117 |
+
primary 'Tinoco, I.' 3 ?
|
| 118 |
+
#
|
| 119 |
+
loop_
|
| 120 |
+
_entity.id
|
| 121 |
+
_entity.type
|
| 122 |
+
_entity.src_method
|
| 123 |
+
_entity.pdbx_description
|
| 124 |
+
_entity.formula_weight
|
| 125 |
+
_entity.pdbx_number_of_molecules
|
| 126 |
+
_entity.pdbx_ec
|
| 127 |
+
_entity.pdbx_mutation
|
| 128 |
+
_entity.pdbx_fragment
|
| 129 |
+
_entity.details
|
| 130 |
+
1 polymer syn
|
| 131 |
+
;RNA (5'-R(*GP*GP*UP*AP*AP*UP*AP*AP*GP*CP*UP*C)-3')
|
| 132 |
+
;
|
| 133 |
+
3836.344 1 ? ? ? ?
|
| 134 |
+
2 polymer syn
|
| 135 |
+
;RNA (5'-R(*GP*AP*GP*UP*AP*CP*C)-3')
|
| 136 |
+
;
|
| 137 |
+
2220.395 1 ? ? ? ?
|
| 138 |
+
#
|
| 139 |
+
loop_
|
| 140 |
+
_entity_poly.entity_id
|
| 141 |
+
_entity_poly.type
|
| 142 |
+
_entity_poly.nstd_linkage
|
| 143 |
+
_entity_poly.nstd_monomer
|
| 144 |
+
_entity_poly.pdbx_seq_one_letter_code
|
| 145 |
+
_entity_poly.pdbx_seq_one_letter_code_can
|
| 146 |
+
_entity_poly.pdbx_strand_id
|
| 147 |
+
_entity_poly.pdbx_target_identifier
|
| 148 |
+
1 polyribonucleotide no no GGUAAUAAGCUC GGUAAUAAGCUC A ?
|
| 149 |
+
2 polyribonucleotide no no GAGUACC GAGUACC B ?
|
| 150 |
+
#
|
| 151 |
+
loop_
|
| 152 |
+
_entity_poly_seq.entity_id
|
| 153 |
+
_entity_poly_seq.num
|
| 154 |
+
_entity_poly_seq.mon_id
|
| 155 |
+
_entity_poly_seq.hetero
|
| 156 |
+
1 1 G n
|
| 157 |
+
1 2 G n
|
| 158 |
+
1 3 U n
|
| 159 |
+
1 4 A n
|
| 160 |
+
1 5 A n
|
| 161 |
+
1 6 U n
|
| 162 |
+
1 7 A n
|
| 163 |
+
1 8 A n
|
| 164 |
+
1 9 G n
|
| 165 |
+
1 10 C n
|
| 166 |
+
1 11 U n
|
| 167 |
+
1 12 C n
|
| 168 |
+
2 1 G n
|
| 169 |
+
2 2 A n
|
| 170 |
+
2 3 G n
|
| 171 |
+
2 4 U n
|
| 172 |
+
2 5 A n
|
| 173 |
+
2 6 C n
|
| 174 |
+
2 7 C n
|
| 175 |
+
#
|
| 176 |
+
loop_
|
| 177 |
+
_chem_comp.id
|
| 178 |
+
_chem_comp.type
|
| 179 |
+
_chem_comp.mon_nstd_flag
|
| 180 |
+
_chem_comp.name
|
| 181 |
+
_chem_comp.pdbx_synonyms
|
| 182 |
+
_chem_comp.formula
|
| 183 |
+
_chem_comp.formula_weight
|
| 184 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 185 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 186 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 187 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 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 G 1 2 2 G G A . n
|
| 203 |
+
A 1 2 G 2 3 3 G G A . n
|
| 204 |
+
A 1 3 U 3 4 4 U U A . n
|
| 205 |
+
A 1 4 A 4 5 5 A A A . n
|
| 206 |
+
A 1 5 A 5 6 6 A A A . n
|
| 207 |
+
A 1 6 U 6 7 7 U U A . n
|
| 208 |
+
A 1 7 A 7 8 8 A A A . n
|
| 209 |
+
A 1 8 A 8 9 9 A A A . n
|
| 210 |
+
A 1 9 G 9 10 10 G G A . n
|
| 211 |
+
A 1 10 C 10 11 11 C C A . n
|
| 212 |
+
A 1 11 U 11 12 12 U U A . n
|
| 213 |
+
A 1 12 C 12 13 13 C C A . n
|
| 214 |
+
B 2 1 G 1 18 18 G G B . n
|
| 215 |
+
B 2 2 A 2 19 19 A A B . n
|
| 216 |
+
B 2 3 G 3 20 20 G G B . n
|
| 217 |
+
B 2 4 U 4 21 21 U U B . n
|
| 218 |
+
B 2 5 A 5 22 22 A A B . n
|
| 219 |
+
B 2 6 C 6 23 23 C C B . n
|
| 220 |
+
B 2 7 C 7 24 24 C C B . n
|
| 221 |
+
#
|
| 222 |
+
loop_
|
| 223 |
+
_software.name
|
| 224 |
+
_software.classification
|
| 225 |
+
_software.version
|
| 226 |
+
_software.citation_id
|
| 227 |
+
_software.pdbx_ordinal
|
| 228 |
+
X-PLOR 'model building' . ? 1
|
| 229 |
+
X-PLOR refinement . ? 2
|
| 230 |
+
X-PLOR phasing . ? 3
|
| 231 |
+
#
|
| 232 |
+
_cell.entry_id 1AJT
|
| 233 |
+
_cell.length_a 1.000
|
| 234 |
+
_cell.length_b 1.000
|
| 235 |
+
_cell.length_c 1.000
|
| 236 |
+
_cell.angle_alpha 90.00
|
| 237 |
+
_cell.angle_beta 90.00
|
| 238 |
+
_cell.angle_gamma 90.00
|
| 239 |
+
_cell.Z_PDB 1
|
| 240 |
+
_cell.pdbx_unique_axis ?
|
| 241 |
+
#
|
| 242 |
+
_symmetry.entry_id 1AJT
|
| 243 |
+
_symmetry.space_group_name_H-M 'P 1'
|
| 244 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 245 |
+
_symmetry.cell_setting ?
|
| 246 |
+
_symmetry.Int_Tables_number 1
|
| 247 |
+
#
|
| 248 |
+
_exptl.entry_id 1AJT
|
| 249 |
+
_exptl.method 'SOLUTION NMR'
|
| 250 |
+
_exptl.crystals_number ?
|
| 251 |
+
#
|
| 252 |
+
_database_PDB_matrix.entry_id 1AJT
|
| 253 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 254 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 255 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 256 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 257 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 258 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 259 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 260 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 261 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 262 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 263 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 264 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 265 |
+
#
|
| 266 |
+
_struct.entry_id 1AJT
|
| 267 |
+
_struct.title 'FIVE-NUCLEOTIDE BULGE LOOP FROM TETRAHYMENA THERMOPHILA GROUP I INTRON, NMR, 1 STRUCTURE'
|
| 268 |
+
_struct.pdbx_model_details ?
|
| 269 |
+
_struct.pdbx_CASP_flag ?
|
| 270 |
+
_struct.pdbx_model_type_details ?
|
| 271 |
+
#
|
| 272 |
+
_struct_keywords.entry_id 1AJT
|
| 273 |
+
_struct_keywords.pdbx_keywords RNA
|
| 274 |
+
_struct_keywords.text 'RNA BULGE LOOP, GROUP I INTRON, RIBONUCLEIC ACID, RNA'
|
| 275 |
+
#
|
| 276 |
+
loop_
|
| 277 |
+
_struct_asym.id
|
| 278 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 279 |
+
_struct_asym.pdbx_modified
|
| 280 |
+
_struct_asym.entity_id
|
| 281 |
+
_struct_asym.details
|
| 282 |
+
A N N 1 ?
|
| 283 |
+
B N N 2 ?
|
| 284 |
+
#
|
| 285 |
+
loop_
|
| 286 |
+
_struct_ref.id
|
| 287 |
+
_struct_ref.entity_id
|
| 288 |
+
_struct_ref.db_name
|
| 289 |
+
_struct_ref.db_code
|
| 290 |
+
_struct_ref.pdbx_db_accession
|
| 291 |
+
_struct_ref.pdbx_db_isoform
|
| 292 |
+
_struct_ref.pdbx_seq_one_letter_code
|
| 293 |
+
_struct_ref.pdbx_align_begin
|
| 294 |
+
1 1 PDB 1AJT 1AJT ? ? ?
|
| 295 |
+
2 2 PDB 1AJT 1AJT ? ? ?
|
| 296 |
+
#
|
| 297 |
+
loop_
|
| 298 |
+
_struct_ref_seq.align_id
|
| 299 |
+
_struct_ref_seq.ref_id
|
| 300 |
+
_struct_ref_seq.pdbx_PDB_id_code
|
| 301 |
+
_struct_ref_seq.pdbx_strand_id
|
| 302 |
+
_struct_ref_seq.seq_align_beg
|
| 303 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code
|
| 304 |
+
_struct_ref_seq.seq_align_end
|
| 305 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code
|
| 306 |
+
_struct_ref_seq.pdbx_db_accession
|
| 307 |
+
_struct_ref_seq.db_align_beg
|
| 308 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code
|
| 309 |
+
_struct_ref_seq.db_align_end
|
| 310 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code
|
| 311 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg
|
| 312 |
+
_struct_ref_seq.pdbx_auth_seq_align_end
|
| 313 |
+
1 1 1AJT A 1 ? 12 ? 1AJT 2 ? 13 ? 2 13
|
| 314 |
+
2 2 1AJT B 1 ? 7 ? 1AJT 18 ? 24 ? 18 24
|
| 315 |
+
#
|
| 316 |
+
_pdbx_struct_assembly.id 1
|
| 317 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 318 |
+
_pdbx_struct_assembly.method_details ?
|
| 319 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 320 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 321 |
+
#
|
| 322 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 323 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 324 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B
|
| 325 |
+
#
|
| 326 |
+
_pdbx_struct_oper_list.id 1
|
| 327 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 328 |
+
_pdbx_struct_oper_list.name 1_555
|
| 329 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 330 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 331 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 332 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 333 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 334 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 335 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 336 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 337 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 338 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 339 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 340 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 341 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 342 |
+
#
|
| 343 |
+
_struct_biol.id 1
|
| 344 |
+
#
|
| 345 |
+
loop_
|
| 346 |
+
_struct_conn.id
|
| 347 |
+
_struct_conn.conn_type_id
|
| 348 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 349 |
+
_struct_conn.pdbx_PDB_id
|
| 350 |
+
_struct_conn.ptnr1_label_asym_id
|
| 351 |
+
_struct_conn.ptnr1_label_comp_id
|
| 352 |
+
_struct_conn.ptnr1_label_seq_id
|
| 353 |
+
_struct_conn.ptnr1_label_atom_id
|
| 354 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 355 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 356 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 357 |
+
_struct_conn.ptnr1_symmetry
|
| 358 |
+
_struct_conn.ptnr2_label_asym_id
|
| 359 |
+
_struct_conn.ptnr2_label_comp_id
|
| 360 |
+
_struct_conn.ptnr2_label_seq_id
|
| 361 |
+
_struct_conn.ptnr2_label_atom_id
|
| 362 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 363 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 364 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 365 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 366 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 367 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 368 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 369 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 370 |
+
_struct_conn.ptnr2_symmetry
|
| 371 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 372 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 373 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 374 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 375 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 376 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 377 |
+
_struct_conn.details
|
| 378 |
+
_struct_conn.pdbx_dist_value
|
| 379 |
+
_struct_conn.pdbx_value_order
|
| 380 |
+
_struct_conn.pdbx_role
|
| 381 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 B C 7 N3 ? ? A G 2 B C 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 382 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 B C 7 O2 ? ? A G 2 B C 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 383 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 B C 7 N4 ? ? A G 2 B C 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 384 |
+
hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 B C 6 N3 ? ? A G 3 B C 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 385 |
+
hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 B C 6 O2 ? ? A G 3 B C 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 386 |
+
hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 B C 6 N4 ? ? A G 3 B C 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 387 |
+
hydrog7 hydrog ? ? A U 3 O2 ? ? ? 1_555 B A 5 N6 ? ? A U 4 B A 22 1_555 ? ? ? ? ? ? 'U-A PAIR' ? ? ?
|
| 388 |
+
hydrog8 hydrog ? ? A G 9 N1 ? ? ? 1_555 B U 4 O2 ? ? A G 10 B U 21 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 389 |
+
hydrog9 hydrog ? ? A G 9 O6 ? ? ? 1_555 B U 4 N3 ? ? A G 10 B U 21 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 390 |
+
hydrog10 hydrog ? ? A C 10 N3 ? ? ? 1_555 B G 3 N1 ? ? A C 11 B G 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 391 |
+
hydrog11 hydrog ? ? A C 10 N4 ? ? ? 1_555 B G 3 O6 ? ? A C 11 B G 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 392 |
+
hydrog12 hydrog ? ? A C 10 O2 ? ? ? 1_555 B G 3 N2 ? ? A C 11 B G 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 393 |
+
hydrog13 hydrog ? ? A U 11 N3 ? ? ? 1_555 B A 2 N1 ? ? A U 12 B A 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 394 |
+
hydrog14 hydrog ? ? A U 11 O4 ? ? ? 1_555 B A 2 N6 ? ? A U 12 B A 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 395 |
+
hydrog15 hydrog ? ? A C 12 N3 ? ? ? 1_555 B G 1 N1 ? ? A C 13 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 396 |
+
hydrog16 hydrog ? ? A C 12 N4 ? ? ? 1_555 B G 1 O6 ? ? A C 13 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 397 |
+
hydrog17 hydrog ? ? A C 12 O2 ? ? ? 1_555 B G 1 N2 ? ? A C 13 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 398 |
+
#
|
| 399 |
+
_struct_conn_type.id hydrog
|
| 400 |
+
_struct_conn_type.criteria ?
|
| 401 |
+
_struct_conn_type.reference ?
|
| 402 |
+
#
|
| 403 |
+
loop_
|
| 404 |
+
_pdbx_validate_close_contact.id
|
| 405 |
+
_pdbx_validate_close_contact.PDB_model_num
|
| 406 |
+
_pdbx_validate_close_contact.auth_atom_id_1
|
| 407 |
+
_pdbx_validate_close_contact.auth_asym_id_1
|
| 408 |
+
_pdbx_validate_close_contact.auth_comp_id_1
|
| 409 |
+
_pdbx_validate_close_contact.auth_seq_id_1
|
| 410 |
+
_pdbx_validate_close_contact.PDB_ins_code_1
|
| 411 |
+
_pdbx_validate_close_contact.label_alt_id_1
|
| 412 |
+
_pdbx_validate_close_contact.auth_atom_id_2
|
| 413 |
+
_pdbx_validate_close_contact.auth_asym_id_2
|
| 414 |
+
_pdbx_validate_close_contact.auth_comp_id_2
|
| 415 |
+
_pdbx_validate_close_contact.auth_seq_id_2
|
| 416 |
+
_pdbx_validate_close_contact.PDB_ins_code_2
|
| 417 |
+
_pdbx_validate_close_contact.label_alt_id_2
|
| 418 |
+
_pdbx_validate_close_contact.dist
|
| 419 |
+
1 1 O2 A U 4 ? ? H61 B A 22 ? ? 1.54
|
| 420 |
+
2 1 "HO2'" A A 9 ? ? OP2 A G 10 ? ? 1.56
|
| 421 |
+
3 1 H41 A C 11 ? ? O6 B G 20 ? ? 1.59
|
| 422 |
+
#
|
| 423 |
+
_pdbx_nmr_ensemble.entry_id 1AJT
|
| 424 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number 20
|
| 425 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 426 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria 'LEAST RESTRAINT VIOLATION'
|
| 427 |
+
#
|
| 428 |
+
_pdbx_nmr_exptl_sample_conditions.conditions_id 1
|
| 429 |
+
_pdbx_nmr_exptl_sample_conditions.temperature 298
|
| 430 |
+
_pdbx_nmr_exptl_sample_conditions.pressure ?
|
| 431 |
+
_pdbx_nmr_exptl_sample_conditions.pH 6.7
|
| 432 |
+
_pdbx_nmr_exptl_sample_conditions.ionic_strength ?
|
| 433 |
+
_pdbx_nmr_exptl_sample_conditions.pressure_units .
|
| 434 |
+
_pdbx_nmr_exptl_sample_conditions.temperature_units K
|
| 435 |
+
#
|
| 436 |
+
loop_
|
| 437 |
+
_pdbx_nmr_exptl.experiment_id
|
| 438 |
+
_pdbx_nmr_exptl.conditions_id
|
| 439 |
+
_pdbx_nmr_exptl.type
|
| 440 |
+
_pdbx_nmr_exptl.solution_id
|
| 441 |
+
1 1 NOESY 1
|
| 442 |
+
2 1 DQF-COSY 1
|
| 443 |
+
3 1 HMQC 1
|
| 444 |
+
4 1 TOCSY 1
|
| 445 |
+
5 1 TOCSY-NOESY 1
|
| 446 |
+
6 1 'H-P CORRELATED' 1
|
| 447 |
+
#
|
| 448 |
+
_pdbx_nmr_refine.entry_id 1AJT
|
| 449 |
+
_pdbx_nmr_refine.method 'RESTRAINED MOLECULAR DYNAMICS'
|
| 450 |
+
_pdbx_nmr_refine.details ?
|
| 451 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 452 |
+
#
|
| 453 |
+
loop_
|
| 454 |
+
_pdbx_nmr_software.classification
|
| 455 |
+
_pdbx_nmr_software.name
|
| 456 |
+
_pdbx_nmr_software.version
|
| 457 |
+
_pdbx_nmr_software.authors
|
| 458 |
+
_pdbx_nmr_software.ordinal
|
| 459 |
+
refinement X-PLOR 2.2 BRUNGER 1
|
| 460 |
+
'structure solution' FELIX230 ? ? 2
|
| 461 |
+
'structure solution' X-PLOR2.2 ? ? 3
|
| 462 |
+
#
|
| 463 |
+
loop_
|
| 464 |
+
_chem_comp_atom.comp_id
|
| 465 |
+
_chem_comp_atom.atom_id
|
| 466 |
+
_chem_comp_atom.type_symbol
|
| 467 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 468 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 469 |
+
_chem_comp_atom.pdbx_ordinal
|
| 470 |
+
A OP3 O N N 1
|
| 471 |
+
A P P N N 2
|
| 472 |
+
A OP1 O N N 3
|
| 473 |
+
A OP2 O N N 4
|
| 474 |
+
A "O5'" O N N 5
|
| 475 |
+
A "C5'" C N N 6
|
| 476 |
+
A "C4'" C N R 7
|
| 477 |
+
A "O4'" O N N 8
|
| 478 |
+
A "C3'" C N S 9
|
| 479 |
+
A "O3'" O N N 10
|
| 480 |
+
A "C2'" C N R 11
|
| 481 |
+
A "O2'" O N N 12
|
| 482 |
+
A "C1'" C N R 13
|
| 483 |
+
A N9 N Y N 14
|
| 484 |
+
A C8 C Y N 15
|
| 485 |
+
A N7 N Y N 16
|
| 486 |
+
A C5 C Y N 17
|
| 487 |
+
A C6 C Y N 18
|
| 488 |
+
A N6 N N N 19
|
| 489 |
+
A N1 N Y N 20
|
| 490 |
+
A C2 C Y N 21
|
| 491 |
+
A N3 N Y N 22
|
| 492 |
+
A C4 C Y N 23
|
| 493 |
+
A HOP3 H N N 24
|
| 494 |
+
A HOP2 H N N 25
|
| 495 |
+
A "H5'" H N N 26
|
| 496 |
+
A "H5''" H N N 27
|
| 497 |
+
A "H4'" H N N 28
|
| 498 |
+
A "H3'" H N N 29
|
| 499 |
+
A "HO3'" H N N 30
|
| 500 |
+
A "H2'" H N N 31
|
| 501 |
+
A "HO2'" H N N 32
|
| 502 |
+
A "H1'" H N N 33
|
| 503 |
+
A H8 H N N 34
|
| 504 |
+
A H61 H N N 35
|
| 505 |
+
A H62 H N N 36
|
| 506 |
+
A H2 H N N 37
|
| 507 |
+
C OP3 O N N 38
|
| 508 |
+
C P P N N 39
|
| 509 |
+
C OP1 O N N 40
|
| 510 |
+
C OP2 O N N 41
|
| 511 |
+
C "O5'" O N N 42
|
| 512 |
+
C "C5'" C N N 43
|
| 513 |
+
C "C4'" C N R 44
|
| 514 |
+
C "O4'" O N N 45
|
| 515 |
+
C "C3'" C N S 46
|
| 516 |
+
C "O3'" O N N 47
|
| 517 |
+
C "C2'" C N R 48
|
| 518 |
+
C "O2'" O N N 49
|
| 519 |
+
C "C1'" C N R 50
|
| 520 |
+
C N1 N N N 51
|
| 521 |
+
C C2 C N N 52
|
| 522 |
+
C O2 O N N 53
|
| 523 |
+
C N3 N N N 54
|
| 524 |
+
C C4 C N N 55
|
| 525 |
+
C N4 N N N 56
|
| 526 |
+
C C5 C N N 57
|
| 527 |
+
C C6 C N N 58
|
| 528 |
+
C HOP3 H N N 59
|
| 529 |
+
C HOP2 H N N 60
|
| 530 |
+
C "H5'" H N N 61
|
| 531 |
+
C "H5''" H N N 62
|
| 532 |
+
C "H4'" H N N 63
|
| 533 |
+
C "H3'" H N N 64
|
| 534 |
+
C "HO3'" H N N 65
|
| 535 |
+
C "H2'" H N N 66
|
| 536 |
+
C "HO2'" H N N 67
|
| 537 |
+
C "H1'" H N N 68
|
| 538 |
+
C H41 H N N 69
|
| 539 |
+
C H42 H N N 70
|
| 540 |
+
C H5 H N N 71
|
| 541 |
+
C H6 H N N 72
|
| 542 |
+
G OP3 O N N 73
|
| 543 |
+
G P P N N 74
|
| 544 |
+
G OP1 O N N 75
|
| 545 |
+
G OP2 O N N 76
|
| 546 |
+
G "O5'" O N N 77
|
| 547 |
+
G "C5'" C N N 78
|
| 548 |
+
G "C4'" C N R 79
|
| 549 |
+
G "O4'" O N N 80
|
| 550 |
+
G "C3'" C N S 81
|
| 551 |
+
G "O3'" O N N 82
|
| 552 |
+
G "C2'" C N R 83
|
| 553 |
+
G "O2'" O N N 84
|
| 554 |
+
G "C1'" C N R 85
|
| 555 |
+
G N9 N Y N 86
|
| 556 |
+
G C8 C Y N 87
|
| 557 |
+
G N7 N Y N 88
|
| 558 |
+
G C5 C Y N 89
|
| 559 |
+
G C6 C N N 90
|
| 560 |
+
G O6 O N N 91
|
| 561 |
+
G N1 N N N 92
|
| 562 |
+
G C2 C N N 93
|
| 563 |
+
G N2 N N N 94
|
| 564 |
+
G N3 N N N 95
|
| 565 |
+
G C4 C Y N 96
|
| 566 |
+
G HOP3 H N N 97
|
| 567 |
+
G HOP2 H N N 98
|
| 568 |
+
G "H5'" H N N 99
|
| 569 |
+
G "H5''" H N N 100
|
| 570 |
+
G "H4'" H N N 101
|
| 571 |
+
G "H3'" H N N 102
|
| 572 |
+
G "HO3'" H N N 103
|
| 573 |
+
G "H2'" H N N 104
|
| 574 |
+
G "HO2'" H N N 105
|
| 575 |
+
G "H1'" H N N 106
|
| 576 |
+
G H8 H N N 107
|
| 577 |
+
G H1 H N N 108
|
| 578 |
+
G H21 H N N 109
|
| 579 |
+
G H22 H N N 110
|
| 580 |
+
U OP3 O N N 111
|
| 581 |
+
U P P N N 112
|
| 582 |
+
U OP1 O N N 113
|
| 583 |
+
U OP2 O N N 114
|
| 584 |
+
U "O5'" O N N 115
|
| 585 |
+
U "C5'" C N N 116
|
| 586 |
+
U "C4'" C N R 117
|
| 587 |
+
U "O4'" O N N 118
|
| 588 |
+
U "C3'" C N S 119
|
| 589 |
+
U "O3'" O N N 120
|
| 590 |
+
U "C2'" C N R 121
|
| 591 |
+
U "O2'" O N N 122
|
| 592 |
+
U "C1'" C N R 123
|
| 593 |
+
U N1 N N N 124
|
| 594 |
+
U C2 C N N 125
|
| 595 |
+
U O2 O N N 126
|
| 596 |
+
U N3 N N N 127
|
| 597 |
+
U C4 C N N 128
|
| 598 |
+
U O4 O N N 129
|
| 599 |
+
U C5 C N N 130
|
| 600 |
+
U C6 C N N 131
|
| 601 |
+
U HOP3 H N N 132
|
| 602 |
+
U HOP2 H N N 133
|
| 603 |
+
U "H5'" H N N 134
|
| 604 |
+
U "H5''" H N N 135
|
| 605 |
+
U "H4'" H N N 136
|
| 606 |
+
U "H3'" H N N 137
|
| 607 |
+
U "HO3'" H N N 138
|
| 608 |
+
U "H2'" H N N 139
|
| 609 |
+
U "HO2'" H N N 140
|
| 610 |
+
U "H1'" H N N 141
|
| 611 |
+
U H3 H N N 142
|
| 612 |
+
U H5 H N N 143
|
| 613 |
+
U H6 H N N 144
|
| 614 |
+
#
|
| 615 |
+
loop_
|
| 616 |
+
_chem_comp_bond.comp_id
|
| 617 |
+
_chem_comp_bond.atom_id_1
|
| 618 |
+
_chem_comp_bond.atom_id_2
|
| 619 |
+
_chem_comp_bond.value_order
|
| 620 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 621 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 622 |
+
_chem_comp_bond.pdbx_ordinal
|
| 623 |
+
A OP3 P sing N N 1
|
| 624 |
+
A OP3 HOP3 sing N N 2
|
| 625 |
+
A P OP1 doub N N 3
|
| 626 |
+
A P OP2 sing N N 4
|
| 627 |
+
A P "O5'" sing N N 5
|
| 628 |
+
A OP2 HOP2 sing N N 6
|
| 629 |
+
A "O5'" "C5'" sing N N 7
|
| 630 |
+
A "C5'" "C4'" sing N N 8
|
| 631 |
+
A "C5'" "H5'" sing N N 9
|
| 632 |
+
A "C5'" "H5''" sing N N 10
|
| 633 |
+
A "C4'" "O4'" sing N N 11
|
| 634 |
+
A "C4'" "C3'" sing N N 12
|
| 635 |
+
A "C4'" "H4'" sing N N 13
|
| 636 |
+
A "O4'" "C1'" sing N N 14
|
| 637 |
+
A "C3'" "O3'" sing N N 15
|
| 638 |
+
A "C3'" "C2'" sing N N 16
|
| 639 |
+
A "C3'" "H3'" sing N N 17
|
| 640 |
+
A "O3'" "HO3'" sing N N 18
|
| 641 |
+
A "C2'" "O2'" sing N N 19
|
| 642 |
+
A "C2'" "C1'" sing N N 20
|
| 643 |
+
A "C2'" "H2'" sing N N 21
|
| 644 |
+
A "O2'" "HO2'" sing N N 22
|
| 645 |
+
A "C1'" N9 sing N N 23
|
| 646 |
+
A "C1'" "H1'" sing N N 24
|
| 647 |
+
A N9 C8 sing Y N 25
|
| 648 |
+
A N9 C4 sing Y N 26
|
| 649 |
+
A C8 N7 doub Y N 27
|
| 650 |
+
A C8 H8 sing N N 28
|
| 651 |
+
A N7 C5 sing Y N 29
|
| 652 |
+
A C5 C6 sing Y N 30
|
| 653 |
+
A C5 C4 doub Y N 31
|
| 654 |
+
A C6 N6 sing N N 32
|
| 655 |
+
A C6 N1 doub Y N 33
|
| 656 |
+
A N6 H61 sing N N 34
|
| 657 |
+
A N6 H62 sing N N 35
|
| 658 |
+
A N1 C2 sing Y N 36
|
| 659 |
+
A C2 N3 doub Y N 37
|
| 660 |
+
A C2 H2 sing N N 38
|
| 661 |
+
A N3 C4 sing Y N 39
|
| 662 |
+
C OP3 P sing N N 40
|
| 663 |
+
C OP3 HOP3 sing N N 41
|
| 664 |
+
C P OP1 doub N N 42
|
| 665 |
+
C P OP2 sing N N 43
|
| 666 |
+
C P "O5'" sing N N 44
|
| 667 |
+
C OP2 HOP2 sing N N 45
|
| 668 |
+
C "O5'" "C5'" sing N N 46
|
| 669 |
+
C "C5'" "C4'" sing N N 47
|
| 670 |
+
C "C5'" "H5'" sing N N 48
|
| 671 |
+
C "C5'" "H5''" sing N N 49
|
| 672 |
+
C "C4'" "O4'" sing N N 50
|
| 673 |
+
C "C4'" "C3'" sing N N 51
|
| 674 |
+
C "C4'" "H4'" sing N N 52
|
| 675 |
+
C "O4'" "C1'" sing N N 53
|
| 676 |
+
C "C3'" "O3'" sing N N 54
|
| 677 |
+
C "C3'" "C2'" sing N N 55
|
| 678 |
+
C "C3'" "H3'" sing N N 56
|
| 679 |
+
C "O3'" "HO3'" sing N N 57
|
| 680 |
+
C "C2'" "O2'" sing N N 58
|
| 681 |
+
C "C2'" "C1'" sing N N 59
|
| 682 |
+
C "C2'" "H2'" sing N N 60
|
| 683 |
+
C "O2'" "HO2'" sing N N 61
|
| 684 |
+
C "C1'" N1 sing N N 62
|
| 685 |
+
C "C1'" "H1'" sing N N 63
|
| 686 |
+
C N1 C2 sing N N 64
|
| 687 |
+
C N1 C6 sing N N 65
|
| 688 |
+
C C2 O2 doub N N 66
|
| 689 |
+
C C2 N3 sing N N 67
|
| 690 |
+
C N3 C4 doub N N 68
|
| 691 |
+
C C4 N4 sing N N 69
|
| 692 |
+
C C4 C5 sing N N 70
|
| 693 |
+
C N4 H41 sing N N 71
|
| 694 |
+
C N4 H42 sing N N 72
|
| 695 |
+
C C5 C6 doub N N 73
|
| 696 |
+
C C5 H5 sing N N 74
|
| 697 |
+
C C6 H6 sing N N 75
|
| 698 |
+
G OP3 P sing N N 76
|
| 699 |
+
G OP3 HOP3 sing N N 77
|
| 700 |
+
G P OP1 doub N N 78
|
| 701 |
+
G P OP2 sing N N 79
|
| 702 |
+
G P "O5'" sing N N 80
|
| 703 |
+
G OP2 HOP2 sing N N 81
|
| 704 |
+
G "O5'" "C5'" sing N N 82
|
| 705 |
+
G "C5'" "C4'" sing N N 83
|
| 706 |
+
G "C5'" "H5'" sing N N 84
|
| 707 |
+
G "C5'" "H5''" sing N N 85
|
| 708 |
+
G "C4'" "O4'" sing N N 86
|
| 709 |
+
G "C4'" "C3'" sing N N 87
|
| 710 |
+
G "C4'" "H4'" sing N N 88
|
| 711 |
+
G "O4'" "C1'" sing N N 89
|
| 712 |
+
G "C3'" "O3'" sing N N 90
|
| 713 |
+
G "C3'" "C2'" sing N N 91
|
| 714 |
+
G "C3'" "H3'" sing N N 92
|
| 715 |
+
G "O3'" "HO3'" sing N N 93
|
| 716 |
+
G "C2'" "O2'" sing N N 94
|
| 717 |
+
G "C2'" "C1'" sing N N 95
|
| 718 |
+
G "C2'" "H2'" sing N N 96
|
| 719 |
+
G "O2'" "HO2'" sing N N 97
|
| 720 |
+
G "C1'" N9 sing N N 98
|
| 721 |
+
G "C1'" "H1'" sing N N 99
|
| 722 |
+
G N9 C8 sing Y N 100
|
| 723 |
+
G N9 C4 sing Y N 101
|
| 724 |
+
G C8 N7 doub Y N 102
|
| 725 |
+
G C8 H8 sing N N 103
|
| 726 |
+
G N7 C5 sing Y N 104
|
| 727 |
+
G C5 C6 sing N N 105
|
| 728 |
+
G C5 C4 doub Y N 106
|
| 729 |
+
G C6 O6 doub N N 107
|
| 730 |
+
G C6 N1 sing N N 108
|
| 731 |
+
G N1 C2 sing N N 109
|
| 732 |
+
G N1 H1 sing N N 110
|
| 733 |
+
G C2 N2 sing N N 111
|
| 734 |
+
G C2 N3 doub N N 112
|
| 735 |
+
G N2 H21 sing N N 113
|
| 736 |
+
G N2 H22 sing N N 114
|
| 737 |
+
G N3 C4 sing N N 115
|
| 738 |
+
U OP3 P sing N N 116
|
| 739 |
+
U OP3 HOP3 sing N N 117
|
| 740 |
+
U P OP1 doub N N 118
|
| 741 |
+
U P OP2 sing N N 119
|
| 742 |
+
U P "O5'" sing N N 120
|
| 743 |
+
U OP2 HOP2 sing N N 121
|
| 744 |
+
U "O5'" "C5'" sing N N 122
|
| 745 |
+
U "C5'" "C4'" sing N N 123
|
| 746 |
+
U "C5'" "H5'" sing N N 124
|
| 747 |
+
U "C5'" "H5''" sing N N 125
|
| 748 |
+
U "C4'" "O4'" sing N N 126
|
| 749 |
+
U "C4'" "C3'" sing N N 127
|
| 750 |
+
U "C4'" "H4'" sing N N 128
|
| 751 |
+
U "O4'" "C1'" sing N N 129
|
| 752 |
+
U "C3'" "O3'" sing N N 130
|
| 753 |
+
U "C3'" "C2'" sing N N 131
|
| 754 |
+
U "C3'" "H3'" sing N N 132
|
| 755 |
+
U "O3'" "HO3'" sing N N 133
|
| 756 |
+
U "C2'" "O2'" sing N N 134
|
| 757 |
+
U "C2'" "C1'" sing N N 135
|
| 758 |
+
U "C2'" "H2'" sing N N 136
|
| 759 |
+
U "O2'" "HO2'" sing N N 137
|
| 760 |
+
U "C1'" N1 sing N N 138
|
| 761 |
+
U "C1'" "H1'" sing N N 139
|
| 762 |
+
U N1 C2 sing N N 140
|
| 763 |
+
U N1 C6 sing N N 141
|
| 764 |
+
U C2 O2 doub N N 142
|
| 765 |
+
U C2 N3 sing N N 143
|
| 766 |
+
U N3 C4 sing N N 144
|
| 767 |
+
U N3 H3 sing N N 145
|
| 768 |
+
U C4 O4 doub N N 146
|
| 769 |
+
U C4 C5 sing N N 147
|
| 770 |
+
U C5 C6 doub N N 148
|
| 771 |
+
U C5 H5 sing N N 149
|
| 772 |
+
U C6 H6 sing N N 150
|
| 773 |
+
#
|
| 774 |
+
loop_
|
| 775 |
+
_ndb_struct_conf_na.entry_id
|
| 776 |
+
_ndb_struct_conf_na.feature
|
| 777 |
+
1AJT 'double helix'
|
| 778 |
+
1AJT 'a-form double helix'
|
| 779 |
+
1AJT 'bulge loop'
|
| 780 |
+
1AJT 'mismatched base pair'
|
| 781 |
+
#
|
| 782 |
+
loop_
|
| 783 |
+
_ndb_struct_na_base_pair.model_number
|
| 784 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 785 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 786 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 787 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 788 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 789 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 790 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 791 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 792 |
+
_ndb_struct_na_base_pair.shear
|
| 793 |
+
_ndb_struct_na_base_pair.stretch
|
| 794 |
+
_ndb_struct_na_base_pair.stagger
|
| 795 |
+
_ndb_struct_na_base_pair.buckle
|
| 796 |
+
_ndb_struct_na_base_pair.propeller
|
| 797 |
+
_ndb_struct_na_base_pair.opening
|
| 798 |
+
_ndb_struct_na_base_pair.pair_number
|
| 799 |
+
_ndb_struct_na_base_pair.pair_name
|
| 800 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 801 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 802 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 803 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 804 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 805 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 806 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 807 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 808 |
+
1 A G 1 1_555 B C 7 1_555 -0.578 -0.463 -0.097 25.736 -22.649 8.013 1 A_G2:C24_B A 2 ? B 24 ? 19 1
|
| 809 |
+
1 A G 2 1_555 B C 6 1_555 -0.635 -0.505 -0.635 -2.209 -26.603 6.016 2 A_G3:C23_B A 3 ? B 23 ? 19 1
|
| 810 |
+
1 A U 3 1_555 B A 5 1_555 4.459 -0.995 0.025 5.285 -16.998 0.263 3 A_U4:A22_B A 4 ? B 22 ? ? ?
|
| 811 |
+
1 A G 9 1_555 B U 4 1_555 -2.407 -0.426 -0.449 36.199 8.297 6.087 4 A_G10:U21_B A 10 ? B 21 ? 28 1
|
| 812 |
+
1 A C 10 1_555 B G 3 1_555 0.234 -0.172 -0.536 42.663 -23.155 -4.727 5 A_C11:G20_B A 11 ? B 20 ? 19 1
|
| 813 |
+
1 A U 11 1_555 B A 2 1_555 -0.021 -0.049 -0.443 20.394 -10.528 -9.375 6 A_U12:A19_B A 12 ? B 19 ? 20 1
|
| 814 |
+
1 A C 12 1_555 B G 1 1_555 0.513 -0.329 -0.444 22.605 -20.115 -2.922 7 A_C13:G18_B A 13 ? B 18 ? 19 1
|
| 815 |
+
#
|
| 816 |
+
loop_
|
| 817 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 818 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 819 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 820 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 821 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 822 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 823 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 824 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 825 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 826 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 827 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 828 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 829 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 830 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 831 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 832 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 833 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 834 |
+
_ndb_struct_na_base_pair_step.shift
|
| 835 |
+
_ndb_struct_na_base_pair_step.slide
|
| 836 |
+
_ndb_struct_na_base_pair_step.rise
|
| 837 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 838 |
+
_ndb_struct_na_base_pair_step.roll
|
| 839 |
+
_ndb_struct_na_base_pair_step.twist
|
| 840 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 841 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 842 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 843 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 844 |
+
_ndb_struct_na_base_pair_step.tip
|
| 845 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 846 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 847 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 848 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 849 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 850 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 851 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 852 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 853 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 854 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 855 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 856 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 857 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 858 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 859 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 860 |
+
1 A G 1 1_555 B C 7 1_555 A G 2 1_555 B C 6 1_555 -1.329 0.310 4.107 -0.569 31.653 33.639 -3.241 1.640 3.273 44.409 0.799
|
| 861 |
+
45.877 1 AA_G2G3:C23C24_BB A 2 ? B 24 ? A 3 ? B 23 ?
|
| 862 |
+
1 A G 2 1_555 B C 6 1_555 A U 3 1_555 B A 5 1_555 0.991 0.072 2.964 -1.913 7.569 53.649 -0.341 -1.194 2.915 8.337 2.107
|
| 863 |
+
54.172 2 AA_G3U4:A22C23_BB A 3 ? B 23 ? A 4 ? B 22 ?
|
| 864 |
+
1 A G 9 1_555 B U 4 1_555 A C 10 1_555 B G 3 1_555 -1.877 -0.204 3.420 2.859 18.861 39.247 -2.140 2.817 2.897 26.279 -3.983
|
| 865 |
+
43.472 3 AA_G10C11:G20U21_BB A 10 ? B 21 ? A 11 ? B 20 ?
|
| 866 |
+
1 A C 10 1_555 B G 3 1_555 A U 11 1_555 B A 2 1_555 -1.243 -1.138 3.920 -1.175 27.311 32.535 -4.663 1.591 2.364 40.925 1.760
|
| 867 |
+
42.256 4 AA_C11U12:A19G20_BB A 11 ? B 20 ? A 12 ? B 19 ?
|
| 868 |
+
1 A U 11 1_555 B A 2 1_555 A C 12 1_555 B G 1 1_555 1.414 -0.722 3.046 3.790 13.027 38.733 -2.342 -1.639 2.792 18.948 -5.513
|
| 869 |
+
40.954 5 AA_U12C13:G18A19_BB A 12 ? B 19 ? A 13 ? B 18 ?
|
| 870 |
+
#
|
| 871 |
+
loop_
|
| 872 |
+
_pdbx_nmr_spectrometer.spectrometer_id
|
| 873 |
+
_pdbx_nmr_spectrometer.model
|
| 874 |
+
_pdbx_nmr_spectrometer.manufacturer
|
| 875 |
+
_pdbx_nmr_spectrometer.field_strength
|
| 876 |
+
1 AMX300 Bruker 300
|
| 877 |
+
2 AMX600 Bruker 500
|
| 878 |
+
3 GN500 GE 500
|
| 879 |
+
#
|
| 880 |
+
_atom_sites.entry_id 1AJT
|
| 881 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 882 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 883 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 884 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 885 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 886 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 887 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 888 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 889 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 890 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 891 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 892 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 893 |
+
#
|
| 894 |
+
loop_
|
| 895 |
+
_atom_type.symbol
|
| 896 |
+
C
|
| 897 |
+
H
|
| 898 |
+
N
|
| 899 |
+
O
|
| 900 |
+
P
|
| 901 |
+
#
|
| 902 |
+
loop_
|
| 903 |
+
_atom_site.group_PDB
|
| 904 |
+
_atom_site.id
|
| 905 |
+
_atom_site.type_symbol
|
| 906 |
+
_atom_site.label_atom_id
|
| 907 |
+
_atom_site.label_alt_id
|
| 908 |
+
_atom_site.label_comp_id
|
| 909 |
+
_atom_site.label_asym_id
|
| 910 |
+
_atom_site.label_entity_id
|
| 911 |
+
_atom_site.label_seq_id
|
| 912 |
+
_atom_site.pdbx_PDB_ins_code
|
| 913 |
+
_atom_site.Cartn_x
|
| 914 |
+
_atom_site.Cartn_y
|
| 915 |
+
_atom_site.Cartn_z
|
| 916 |
+
_atom_site.occupancy
|
| 917 |
+
_atom_site.B_iso_or_equiv
|
| 918 |
+
_atom_site.pdbx_formal_charge
|
| 919 |
+
_atom_site.auth_seq_id
|
| 920 |
+
_atom_site.auth_comp_id
|
| 921 |
+
_atom_site.auth_asym_id
|
| 922 |
+
_atom_site.auth_atom_id
|
| 923 |
+
_atom_site.pdbx_PDB_model_num
|
| 924 |
+
ATOM 1 O "O5'" . G A 1 1 ? -1.091 -4.515 5.376 1.00 0.00 ? 2 G A "O5'" 1
|
| 925 |
+
ATOM 2 C "C5'" . G A 1 1 ? -1.257 -5.424 6.467 1.00 0.00 ? 2 G A "C5'" 1
|
| 926 |
+
ATOM 3 C "C4'" . G A 1 1 ? -2.696 -5.436 6.974 1.00 0.00 ? 2 G A "C4'" 1
|
| 927 |
+
ATOM 4 O "O4'" . G A 1 1 ? -3.085 -4.109 7.339 1.00 0.00 ? 2 G A "O4'" 1
|
| 928 |
+
ATOM 5 C "C3'" . G A 1 1 ? -3.738 -5.826 5.946 1.00 0.00 ? 2 G A "C3'" 1
|
| 929 |
+
ATOM 6 O "O3'" . G A 1 1 ? -3.843 -7.260 5.964 1.00 0.00 ? 2 G A "O3'" 1
|
| 930 |
+
ATOM 7 C "C2'" . G A 1 1 ? -5.013 -5.254 6.554 1.00 0.00 ? 2 G A "C2'" 1
|
| 931 |
+
ATOM 8 O "O2'" . G A 1 1 ? -5.550 -6.134 7.547 1.00 0.00 ? 2 G A "O2'" 1
|
| 932 |
+
ATOM 9 C "C1'" . G A 1 1 ? -4.511 -3.959 7.200 1.00 0.00 ? 2 G A "C1'" 1
|
| 933 |
+
ATOM 10 N N9 . G A 1 1 ? -4.797 -2.779 6.365 1.00 0.00 ? 2 G A N9 1
|
| 934 |
+
ATOM 11 C C8 . G A 1 1 ? -4.321 -2.479 5.118 1.00 0.00 ? 2 G A C8 1
|
| 935 |
+
ATOM 12 N N7 . G A 1 1 ? -4.781 -1.358 4.635 1.00 0.00 ? 2 G A N7 1
|
| 936 |
+
ATOM 13 C C5 . G A 1 1 ? -5.624 -0.884 5.635 1.00 0.00 ? 2 G A C5 1
|
| 937 |
+
ATOM 14 C C6 . G A 1 1 ? -6.414 0.300 5.687 1.00 0.00 ? 2 G A C6 1
|
| 938 |
+
ATOM 15 O O6 . G A 1 1 ? -6.527 1.190 4.845 1.00 0.00 ? 2 G A O6 1
|
| 939 |
+
ATOM 16 N N1 . G A 1 1 ? -7.113 0.389 6.874 1.00 0.00 ? 2 G A N1 1
|
| 940 |
+
ATOM 17 C C2 . G A 1 1 ? -7.069 -0.530 7.889 1.00 0.00 ? 2 G A C2 1
|
| 941 |
+
ATOM 18 N N2 . G A 1 1 ? -7.819 -0.287 8.953 1.00 0.00 ? 2 G A N2 1
|
| 942 |
+
ATOM 19 N N3 . G A 1 1 ? -6.336 -1.639 7.859 1.00 0.00 ? 2 G A N3 1
|
| 943 |
+
ATOM 20 C C4 . G A 1 1 ? -5.640 -1.750 6.702 1.00 0.00 ? 2 G A C4 1
|
| 944 |
+
ATOM 21 H "H5'" . G A 1 1 ? -0.596 -5.129 7.281 1.00 0.00 ? 2 G A "H5'" 1
|
| 945 |
+
ATOM 22 H "H5''" . G A 1 1 ? -0.989 -6.428 6.137 1.00 0.00 ? 2 G A "H5''" 1
|
| 946 |
+
ATOM 23 H "H4'" . G A 1 1 ? -2.760 -6.081 7.851 1.00 0.00 ? 2 G A "H4'" 1
|
| 947 |
+
ATOM 24 H "H3'" . G A 1 1 ? -3.526 -5.442 4.947 1.00 0.00 ? 2 G A "H3'" 1
|
| 948 |
+
ATOM 25 H "H2'" . G A 1 1 ? -5.745 -5.035 5.780 1.00 0.00 ? 2 G A "H2'" 1
|
| 949 |
+
ATOM 26 H "HO2'" . G A 1 1 ? -6.252 -6.641 7.129 1.00 0.00 ? 2 G A "HO2'" 1
|
| 950 |
+
ATOM 27 H "H1'" . G A 1 1 ? -4.956 -3.820 8.186 1.00 0.00 ? 2 G A "H1'" 1
|
| 951 |
+
ATOM 28 H H8 . G A 1 1 ? -3.637 -3.129 4.573 1.00 0.00 ? 2 G A H8 1
|
| 952 |
+
ATOM 29 H H1 . G A 1 1 ? -7.702 1.195 6.995 1.00 0.00 ? 2 G A H1 1
|
| 953 |
+
ATOM 30 H H21 . G A 1 1 ? -8.445 0.504 8.960 1.00 0.00 ? 2 G A H21 1
|
| 954 |
+
ATOM 31 H H22 . G A 1 1 ? -7.767 -0.898 9.754 1.00 0.00 ? 2 G A H22 1
|
| 955 |
+
ATOM 32 H "HO5'" . G A 1 1 ? -1.542 -3.700 5.613 1.00 0.00 ? 2 G A "HO5'" 1
|
| 956 |
+
ATOM 33 P P . G A 1 2 ? -4.868 -8.036 4.987 1.00 0.00 ? 3 G A P 1
|
| 957 |
+
ATOM 34 O OP1 . G A 1 2 ? -4.548 -9.480 5.031 1.00 0.00 ? 3 G A OP1 1
|
| 958 |
+
ATOM 35 O OP2 . G A 1 2 ? -4.904 -7.327 3.688 1.00 0.00 ? 3 G A OP2 1
|
| 959 |
+
ATOM 36 O "O5'" . G A 1 2 ? -6.294 -7.808 5.721 1.00 0.00 ? 3 G A "O5'" 1
|
| 960 |
+
ATOM 37 C "C5'" . G A 1 2 ? -6.798 -8.641 6.800 1.00 0.00 ? 3 G A "C5'" 1
|
| 961 |
+
ATOM 38 C "C4'" . G A 1 2 ? -8.324 -8.605 6.754 1.00 0.00 ? 3 G A "C4'" 1
|
| 962 |
+
ATOM 39 O "O4'" . G A 1 2 ? -8.743 -7.268 7.065 1.00 0.00 ? 3 G A "O4'" 1
|
| 963 |
+
ATOM 40 C "C3'" . G A 1 2 ? -8.744 -8.853 5.327 1.00 0.00 ? 3 G A "C3'" 1
|
| 964 |
+
ATOM 41 O "O3'" . G A 1 2 ? -9.277 -10.173 5.140 1.00 0.00 ? 3 G A "O3'" 1
|
| 965 |
+
ATOM 42 C "C2'" . G A 1 2 ? -9.967 -7.948 5.174 1.00 0.00 ? 3 G A "C2'" 1
|
| 966 |
+
ATOM 43 O "O2'" . G A 1 2 ? -11.148 -8.608 5.647 1.00 0.00 ? 3 G A "O2'" 1
|
| 967 |
+
ATOM 44 C "C1'" . G A 1 2 ? -9.639 -6.763 6.069 1.00 0.00 ? 3 G A "C1'" 1
|
| 968 |
+
ATOM 45 N N9 . G A 1 2 ? -8.979 -5.670 5.327 1.00 0.00 ? 3 G A N9 1
|
| 969 |
+
ATOM 46 C C8 . G A 1 2 ? -7.748 -5.666 4.728 1.00 0.00 ? 3 G A C8 1
|
| 970 |
+
ATOM 47 N N7 . G A 1 2 ? -7.454 -4.544 4.134 1.00 0.00 ? 3 G A N7 1
|
| 971 |
+
ATOM 48 C C5 . G A 1 2 ? -8.572 -3.747 4.354 1.00 0.00 ? 3 G A C5 1
|
| 972 |
+
ATOM 49 C C6 . G A 1 2 ? -8.838 -2.411 3.944 1.00 0.00 ? 3 G A C6 1
|
| 973 |
+
ATOM 50 O O6 . G A 1 2 ? -8.123 -1.652 3.295 1.00 0.00 ? 3 G A O6 1
|
| 974 |
+
ATOM 51 N N1 . G A 1 2 ? -10.080 -1.987 4.373 1.00 0.00 ? 3 G A N1 1
|
| 975 |
+
ATOM 52 C C2 . G A 1 2 ? -10.962 -2.740 5.104 1.00 0.00 ? 3 G A C2 1
|
| 976 |
+
ATOM 53 N N2 . G A 1 2 ? -12.116 -2.172 5.423 1.00 0.00 ? 3 G A N2 1
|
| 977 |
+
ATOM 54 N N3 . G A 1 2 ? -10.729 -3.990 5.498 1.00 0.00 ? 3 G A N3 1
|
| 978 |
+
ATOM 55 C C4 . G A 1 2 ? -9.515 -4.428 5.086 1.00 0.00 ? 3 G A C4 1
|
| 979 |
+
ATOM 56 H "H5'" . G A 1 2 ? -6.448 -8.260 7.760 1.00 0.00 ? 3 G A "H5'" 1
|
| 980 |
+
ATOM 57 H "H5''" . G A 1 2 ? -6.451 -9.666 6.664 1.00 0.00 ? 3 G A "H5''" 1
|
| 981 |
+
ATOM 58 H "H4'" . G A 1 2 ? -8.756 -9.324 7.451 1.00 0.00 ? 3 G A "H4'" 1
|
| 982 |
+
ATOM 59 H "H3'" . G A 1 2 ? -7.960 -8.627 4.603 1.00 0.00 ? 3 G A "H3'" 1
|
| 983 |
+
ATOM 60 H "H2'" . G A 1 2 ? -10.090 -7.629 4.140 1.00 0.00 ? 3 G A "H2'" 1
|
| 984 |
+
ATOM 61 H "HO2'" . G A 1 2 ? -11.901 -8.125 5.299 1.00 0.00 ? 3 G A "HO2'" 1
|
| 985 |
+
ATOM 62 H "H1'" . G A 1 2 ? -10.537 -6.380 6.553 1.00 0.00 ? 3 G A "H1'" 1
|
| 986 |
+
ATOM 63 H H8 . G A 1 2 ? -7.076 -6.523 4.746 1.00 0.00 ? 3 G A H8 1
|
| 987 |
+
ATOM 64 H H1 . G A 1 2 ? -10.353 -1.052 4.122 1.00 0.00 ? 3 G A H1 1
|
| 988 |
+
ATOM 65 H H21 . G A 1 2 ? -12.344 -1.254 5.068 1.00 0.00 ? 3 G A H21 1
|
| 989 |
+
ATOM 66 H H22 . G A 1 2 ? -12.767 -2.659 6.019 1.00 0.00 ? 3 G A H22 1
|
| 990 |
+
ATOM 67 P P . U A 1 3 ? -9.351 -10.833 3.669 1.00 0.00 ? 4 U A P 1
|
| 991 |
+
ATOM 68 O OP1 . U A 1 3 ? -10.093 -12.110 3.769 1.00 0.00 ? 4 U A OP1 1
|
| 992 |
+
ATOM 69 O OP2 . U A 1 3 ? -7.989 -10.816 3.089 1.00 0.00 ? 4 U A OP2 1
|
| 993 |
+
ATOM 70 O "O5'" . U A 1 3 ? -10.257 -9.782 2.842 1.00 0.00 ? 4 U A "O5'" 1
|
| 994 |
+
ATOM 71 C "C5'" . U A 1 3 ? -11.669 -9.676 3.079 1.00 0.00 ? 4 U A "C5'" 1
|
| 995 |
+
ATOM 72 C "C4'" . U A 1 3 ? -12.241 -8.367 2.532 1.00 0.00 ? 4 U A "C4'" 1
|
| 996 |
+
ATOM 73 O "O4'" . U A 1 3 ? -11.498 -7.266 3.072 1.00 0.00 ? 4 U A "O4'" 1
|
| 997 |
+
ATOM 74 C "C3'" . U A 1 3 ? -12.115 -8.188 1.029 1.00 0.00 ? 4 U A "C3'" 1
|
| 998 |
+
ATOM 75 O "O3'" . U A 1 3 ? -13.308 -8.723 0.437 1.00 0.00 ? 4 U A "O3'" 1
|
| 999 |
+
ATOM 76 C "C2'" . U A 1 3 ? -12.160 -6.674 0.879 1.00 0.00 ? 4 U A "C2'" 1
|
| 1000 |
+
ATOM 77 O "O2'" . U A 1 3 ? -13.503 -6.191 0.980 1.00 0.00 ? 4 U A "O2'" 1
|
| 1001 |
+
ATOM 78 C "C1'" . U A 1 3 ? -11.334 -6.230 2.086 1.00 0.00 ? 4 U A "C1'" 1
|
| 1002 |
+
ATOM 79 N N1 . U A 1 3 ? -9.895 -6.100 1.769 1.00 0.00 ? 4 U A N1 1
|
| 1003 |
+
ATOM 80 C C2 . U A 1 3 ? -9.422 -4.842 1.449 1.00 0.00 ? 4 U A C2 1
|
| 1004 |
+
ATOM 81 O O2 . U A 1 3 ? -10.141 -3.848 1.431 1.00 0.00 ? 4 U A O2 1
|
| 1005 |
+
ATOM 82 N N3 . U A 1 3 ? -8.081 -4.758 1.149 1.00 0.00 ? 4 U A N3 1
|
| 1006 |
+
ATOM 83 C C4 . U A 1 3 ? -7.182 -5.802 1.142 1.00 0.00 ? 4 U A C4 1
|
| 1007 |
+
ATOM 84 O O4 . U A 1 3 ? -6.010 -5.596 0.849 1.00 0.00 ? 4 U A O4 1
|
| 1008 |
+
ATOM 85 C C5 . U A 1 3 ? -7.746 -7.086 1.488 1.00 0.00 ? 4 U A C5 1
|
| 1009 |
+
ATOM 86 C C6 . U A 1 3 ? -9.063 -7.191 1.786 1.00 0.00 ? 4 U A C6 1
|
| 1010 |
+
ATOM 87 H "H5'" . U A 1 3 ? -11.854 -9.721 4.153 1.00 0.00 ? 4 U A "H5'" 1
|
| 1011 |
+
ATOM 88 H "H5''" . U A 1 3 ? -12.175 -10.513 2.597 1.00 0.00 ? 4 U A "H5''" 1
|
| 1012 |
+
ATOM 89 H "H4'" . U A 1 3 ? -13.283 -8.279 2.842 1.00 0.00 ? 4 U A "H4'" 1
|
| 1013 |
+
ATOM 90 H "H3'" . U A 1 3 ? -11.212 -8.637 0.612 1.00 0.00 ? 4 U A "H3'" 1
|
| 1014 |
+
ATOM 91 H "H2'" . U A 1 3 ? -11.695 -6.355 -0.054 1.00 0.00 ? 4 U A "H2'" 1
|
| 1015 |
+
ATOM 92 H "HO2'" . U A 1 3 ? -13.904 -6.283 0.111 1.00 0.00 ? 4 U A "HO2'" 1
|
| 1016 |
+
ATOM 93 H "H1'" . U A 1 3 ? -11.705 -5.286 2.487 1.00 0.00 ? 4 U A "H1'" 1
|
| 1017 |
+
ATOM 94 H H3 . U A 1 3 ? -7.722 -3.846 0.915 1.00 0.00 ? 4 U A H3 1
|
| 1018 |
+
ATOM 95 H H5 . U A 1 3 ? -7.110 -7.971 1.510 1.00 0.00 ? 4 U A H5 1
|
| 1019 |
+
ATOM 96 H H6 . U A 1 3 ? -9.472 -8.167 2.047 1.00 0.00 ? 4 U A H6 1
|
| 1020 |
+
ATOM 97 P P . A A 1 4 ? -13.490 -8.769 -1.164 1.00 0.00 ? 5 A A P 1
|
| 1021 |
+
ATOM 98 O OP1 . A A 1 4 ? -14.730 -9.518 -1.468 1.00 0.00 ? 5 A A OP1 1
|
| 1022 |
+
ATOM 99 O OP2 . A A 1 4 ? -12.204 -9.197 -1.762 1.00 0.00 ? 5 A A OP2 1
|
| 1023 |
+
ATOM 100 O "O5'" . A A 1 4 ? -13.732 -7.219 -1.535 1.00 0.00 ? 5 A A "O5'" 1
|
| 1024 |
+
ATOM 101 C "C5'" . A A 1 4 ? -13.287 -6.691 -2.790 1.00 0.00 ? 5 A A "C5'" 1
|
| 1025 |
+
ATOM 102 C "C4'" . A A 1 4 ? -13.325 -5.166 -2.812 1.00 0.00 ? 5 A A "C4'" 1
|
| 1026 |
+
ATOM 103 O "O4'" . A A 1 4 ? -12.427 -4.651 -1.825 1.00 0.00 ? 5 A A "O4'" 1
|
| 1027 |
+
ATOM 104 C "C3'" . A A 1 4 ? -12.818 -4.541 -4.094 1.00 0.00 ? 5 A A "C3'" 1
|
| 1028 |
+
ATOM 105 O "O3'" . A A 1 4 ? -13.928 -4.437 -4.998 1.00 0.00 ? 5 A A "O3'" 1
|
| 1029 |
+
ATOM 106 C "C2'" . A A 1 4 ? -12.460 -3.130 -3.649 1.00 0.00 ? 5 A A "C2'" 1
|
| 1030 |
+
ATOM 107 O "O2'" . A A 1 4 ? -13.620 -2.291 -3.615 1.00 0.00 ? 5 A A "O2'" 1
|
| 1031 |
+
ATOM 108 C "C1'" . A A 1 4 ? -11.924 -3.364 -2.238 1.00 0.00 ? 5 A A "C1'" 1
|
| 1032 |
+
ATOM 109 N N9 . A A 1 4 ? -10.453 -3.390 -2.214 1.00 0.00 ? 5 A A N9 1
|
| 1033 |
+
ATOM 110 C C8 . A A 1 4 ? -9.626 -4.424 -1.883 1.00 0.00 ? 5 A A C8 1
|
| 1034 |
+
ATOM 111 N N7 . A A 1 4 ? -8.356 -4.129 -1.963 1.00 0.00 ? 5 A A N7 1
|
| 1035 |
+
ATOM 112 C C5 . A A 1 4 ? -8.353 -2.801 -2.381 1.00 0.00 ? 5 A A C5 1
|
| 1036 |
+
ATOM 113 C C6 . A A 1 4 ? -7.321 -1.890 -2.659 1.00 0.00 ? 5 A A C6 1
|
| 1037 |
+
ATOM 114 N N6 . A A 1 4 ? -6.029 -2.184 -2.551 1.00 0.00 ? 5 A A N6 1
|
| 1038 |
+
ATOM 115 N N1 . A A 1 4 ? -7.666 -0.655 -3.053 1.00 0.00 ? 5 A A N1 1
|
| 1039 |
+
ATOM 116 C C2 . A A 1 4 ? -8.953 -0.349 -3.162 1.00 0.00 ? 5 A A C2 1
|
| 1040 |
+
ATOM 117 N N3 . A A 1 4 ? -10.013 -1.109 -2.930 1.00 0.00 ? 5 A A N3 1
|
| 1041 |
+
ATOM 118 C C4 . A A 1 4 ? -9.628 -2.342 -2.537 1.00 0.00 ? 5 A A C4 1
|
| 1042 |
+
ATOM 119 H "H5'" . A A 1 4 ? -13.929 -7.073 -3.584 1.00 0.00 ? 5 A A "H5'" 1
|
| 1043 |
+
ATOM 120 H "H5''" . A A 1 4 ? -12.264 -7.022 -2.971 1.00 0.00 ? 5 A A "H5''" 1
|
| 1044 |
+
ATOM 121 H "H4'" . A A 1 4 ? -14.337 -4.828 -2.590 1.00 0.00 ? 5 A A "H4'" 1
|
| 1045 |
+
ATOM 122 H "H3'" . A A 1 4 ? -11.979 -5.081 -4.533 1.00 0.00 ? 5 A A "H3'" 1
|
| 1046 |
+
ATOM 123 H "H2'" . A A 1 4 ? -11.684 -2.709 -4.283 1.00 0.00 ? 5 A A "H2'" 1
|
| 1047 |
+
ATOM 124 H "HO2'" . A A 1 4 ? -13.319 -1.394 -3.453 1.00 0.00 ? 5 A A "HO2'" 1
|
| 1048 |
+
ATOM 125 H "H1'" . A A 1 4 ? -12.285 -2.598 -1.552 1.00 0.00 ? 5 A A "H1'" 1
|
| 1049 |
+
ATOM 126 H H8 . A A 1 4 ? -9.995 -5.406 -1.605 1.00 0.00 ? 5 A A H8 1
|
| 1050 |
+
ATOM 127 H H61 . A A 1 4 ? -5.333 -1.491 -2.783 1.00 0.00 ? 5 A A H61 1
|
| 1051 |
+
ATOM 128 H H62 . A A 1 4 ? -5.744 -3.100 -2.236 1.00 0.00 ? 5 A A H62 1
|
| 1052 |
+
ATOM 129 H H2 . A A 1 4 ? -9.169 0.668 -3.491 1.00 0.00 ? 5 A A H2 1
|
| 1053 |
+
ATOM 130 P P . A A 1 5 ? -13.692 -4.261 -6.584 1.00 0.00 ? 6 A A P 1
|
| 1054 |
+
ATOM 131 O OP1 . A A 1 5 ? -14.991 -3.933 -7.214 1.00 0.00 ? 6 A A OP1 1
|
| 1055 |
+
ATOM 132 O OP2 . A A 1 5 ? -12.916 -5.425 -7.068 1.00 0.00 ? 6 A A OP2 1
|
| 1056 |
+
ATOM 133 O "O5'" . A A 1 5 ? -12.743 -2.956 -6.673 1.00 0.00 ? 6 A A "O5'" 1
|
| 1057 |
+
ATOM 134 C "C5'" . A A 1 5 ? -13.275 -1.638 -6.470 1.00 0.00 ? 6 A A "C5'" 1
|
| 1058 |
+
ATOM 135 C "C4'" . A A 1 5 ? -12.332 -0.551 -6.992 1.00 0.00 ? 6 A A "C4'" 1
|
| 1059 |
+
ATOM 136 O "O4'" . A A 1 5 ? -11.073 -0.634 -6.312 1.00 0.00 ? 6 A A "O4'" 1
|
| 1060 |
+
ATOM 137 C "C3'" . A A 1 5 ? -11.978 -0.663 -8.467 1.00 0.00 ? 6 A A "C3'" 1
|
| 1061 |
+
ATOM 138 O "O3'" . A A 1 5 ? -11.557 0.638 -8.904 1.00 0.00 ? 6 A A "O3'" 1
|
| 1062 |
+
ATOM 139 C "C2'" . A A 1 5 ? -10.757 -1.563 -8.469 1.00 0.00 ? 6 A A "C2'" 1
|
| 1063 |
+
ATOM 140 O "O2'" . A A 1 5 ? -9.937 -1.302 -9.613 1.00 0.00 ? 6 A A "O2'" 1
|
| 1064 |
+
ATOM 141 C "C1'" . A A 1 5 ? -10.048 -1.144 -7.183 1.00 0.00 ? 6 A A "C1'" 1
|
| 1065 |
+
ATOM 142 N N9 . A A 1 5 ? -9.422 -2.296 -6.523 1.00 0.00 ? 6 A A N9 1
|
| 1066 |
+
ATOM 143 C C8 . A A 1 5 ? -10.019 -3.463 -6.145 1.00 0.00 ? 6 A A C8 1
|
| 1067 |
+
ATOM 144 N N7 . A A 1 5 ? -9.203 -4.314 -5.587 1.00 0.00 ? 6 A A N7 1
|
| 1068 |
+
ATOM 145 C C5 . A A 1 5 ? -7.977 -3.653 -5.604 1.00 0.00 ? 6 A A C5 1
|
| 1069 |
+
ATOM 146 C C6 . A A 1 5 ? -6.695 -4.012 -5.160 1.00 0.00 ? 6 A A C6 1
|
| 1070 |
+
ATOM 147 N N6 . A A 1 5 ? -6.413 -5.176 -4.581 1.00 0.00 ? 6 A A N6 1
|
| 1071 |
+
ATOM 148 N N1 . A A 1 5 ? -5.704 -3.126 -5.329 1.00 0.00 ? 6 A A N1 1
|
| 1072 |
+
ATOM 149 C C2 . A A 1 5 ? -5.974 -1.959 -5.902 1.00 0.00 ? 6 A A C2 1
|
| 1073 |
+
ATOM 150 N N3 . A A 1 5 ? -7.130 -1.501 -6.360 1.00 0.00 ? 6 A A N3 1
|
| 1074 |
+
ATOM 151 C C4 . A A 1 5 ? -8.102 -2.419 -6.173 1.00 0.00 ? 6 A A C4 1
|
| 1075 |
+
ATOM 152 H "H5'" . A A 1 5 ? -13.439 -1.482 -5.404 1.00 0.00 ? 6 A A "H5'" 1
|
| 1076 |
+
ATOM 153 H "H5''" . A A 1 5 ? -14.229 -1.557 -6.991 1.00 0.00 ? 6 A A "H5''" 1
|
| 1077 |
+
ATOM 154 H "H4'" . A A 1 5 ? -12.777 0.422 -6.784 1.00 0.00 ? 6 A A "H4'" 1
|
| 1078 |
+
ATOM 155 H "H3'" . A A 1 5 ? -12.793 -1.055 -9.069 1.00 0.00 ? 6 A A "H3'" 1
|
| 1079 |
+
ATOM 156 H "H2'" . A A 1 5 ? -11.052 -2.611 -8.427 1.00 0.00 ? 6 A A "H2'" 1
|
| 1080 |
+
ATOM 157 H "HO2'" . A A 1 5 ? -10.038 -0.371 -9.830 1.00 0.00 ? 6 A A "HO2'" 1
|
| 1081 |
+
ATOM 158 H "H1'" . A A 1 5 ? -9.302 -0.370 -7.370 1.00 0.00 ? 6 A A "H1'" 1
|
| 1082 |
+
ATOM 159 H H8 . A A 1 5 ? -11.078 -3.661 -6.312 1.00 0.00 ? 6 A A H8 1
|
| 1083 |
+
ATOM 160 H H61 . A A 1 5 ? -5.466 -5.383 -4.300 1.00 0.00 ? 6 A A H61 1
|
| 1084 |
+
ATOM 161 H H62 . A A 1 5 ? -7.147 -5.852 -4.424 1.00 0.00 ? 6 A A H62 1
|
| 1085 |
+
ATOM 162 H H2 . A A 1 5 ? -5.126 -1.285 -6.016 1.00 0.00 ? 6 A A H2 1
|
| 1086 |
+
ATOM 163 P P . U A 1 6 ? -12.326 1.406 -10.096 1.00 0.00 ? 7 U A P 1
|
| 1087 |
+
ATOM 164 O OP1 . U A 1 6 ? -12.069 2.856 -9.950 1.00 0.00 ? 7 U A OP1 1
|
| 1088 |
+
ATOM 165 O OP2 . U A 1 6 ? -13.721 0.909 -10.143 1.00 0.00 ? 7 U A OP2 1
|
| 1089 |
+
ATOM 166 O "O5'" . U A 1 6 ? -11.552 0.881 -11.411 1.00 0.00 ? 7 U A "O5'" 1
|
| 1090 |
+
ATOM 167 C "C5'" . U A 1 6 ? -12.198 0.011 -12.350 1.00 0.00 ? 7 U A "C5'" 1
|
| 1091 |
+
ATOM 168 C "C4'" . U A 1 6 ? -11.239 -0.450 -13.445 1.00 0.00 ? 7 U A "C4'" 1
|
| 1092 |
+
ATOM 169 O "O4'" . U A 1 6 ? -10.212 -1.272 -12.858 1.00 0.00 ? 7 U A "O4'" 1
|
| 1093 |
+
ATOM 170 C "C3'" . U A 1 6 ? -11.875 -1.332 -14.521 1.00 0.00 ? 7 U A "C3'" 1
|
| 1094 |
+
ATOM 171 O "O3'" . U A 1 6 ? -11.088 -1.188 -15.714 1.00 0.00 ? 7 U A "O3'" 1
|
| 1095 |
+
ATOM 172 C "C2'" . U A 1 6 ? -11.638 -2.736 -13.992 1.00 0.00 ? 7 U A "C2'" 1
|
| 1096 |
+
ATOM 173 O "O2'" . U A 1 6 ? -11.673 -3.695 -15.054 1.00 0.00 ? 7 U A "O2'" 1
|
| 1097 |
+
ATOM 174 C "C1'" . U A 1 6 ? -10.228 -2.583 -13.439 1.00 0.00 ? 7 U A "C1'" 1
|
| 1098 |
+
ATOM 175 N N1 . U A 1 6 ? -9.910 -3.578 -12.393 1.00 0.00 ? 7 U A N1 1
|
| 1099 |
+
ATOM 176 C C2 . U A 1 6 ? -8.849 -4.434 -12.625 1.00 0.00 ? 7 U A C2 1
|
| 1100 |
+
ATOM 177 O O2 . U A 1 6 ? -8.174 -4.390 -13.649 1.00 0.00 ? 7 U A O2 1
|
| 1101 |
+
ATOM 178 N N3 . U A 1 6 ? -8.587 -5.353 -11.636 1.00 0.00 ? 7 U A N3 1
|
| 1102 |
+
ATOM 179 C C4 . U A 1 6 ? -9.277 -5.495 -10.452 1.00 0.00 ? 7 U A C4 1
|
| 1103 |
+
ATOM 180 O O4 . U A 1 6 ? -8.942 -6.359 -9.649 1.00 0.00 ? 7 U A O4 1
|
| 1104 |
+
ATOM 181 C C5 . U A 1 6 ? -10.371 -4.569 -10.277 1.00 0.00 ? 7 U A C5 1
|
| 1105 |
+
ATOM 182 C C6 . U A 1 6 ? -10.647 -3.653 -11.238 1.00 0.00 ? 7 U A C6 1
|
| 1106 |
+
ATOM 183 H "H5'" . U A 1 6 ? -13.033 0.541 -12.809 1.00 0.00 ? 7 U A "H5'" 1
|
| 1107 |
+
ATOM 184 H "H5''" . U A 1 6 ? -12.580 -0.863 -11.821 1.00 0.00 ? 7 U A "H5''" 1
|
| 1108 |
+
ATOM 185 H "H4'" . U A 1 6 ? -10.775 0.427 -13.897 1.00 0.00 ? 7 U A "H4'" 1
|
| 1109 |
+
ATOM 186 H "H3'" . U A 1 6 ? -12.926 -1.107 -14.701 1.00 0.00 ? 7 U A "H3'" 1
|
| 1110 |
+
ATOM 187 H "H2'" . U A 1 6 ? -12.349 -2.984 -13.204 1.00 0.00 ? 7 U A "H2'" 1
|
| 1111 |
+
ATOM 188 H "HO2'" . U A 1 6 ? -11.105 -3.362 -15.754 1.00 0.00 ? 7 U A "HO2'" 1
|
| 1112 |
+
ATOM 189 H "H1'" . U A 1 6 ? -9.485 -2.639 -14.237 1.00 0.00 ? 7 U A "H1'" 1
|
| 1113 |
+
ATOM 190 H H3 . U A 1 6 ? -7.815 -5.982 -11.792 1.00 0.00 ? 7 U A H3 1
|
| 1114 |
+
ATOM 191 H H5 . U A 1 6 ? -10.982 -4.614 -9.376 1.00 0.00 ? 7 U A H5 1
|
| 1115 |
+
ATOM 192 H H6 . U A 1 6 ? -11.470 -2.955 -11.086 1.00 0.00 ? 7 U A H6 1
|
| 1116 |
+
ATOM 193 P P . A A 1 7 ? -11.538 -0.178 -16.887 1.00 0.00 ? 8 A A P 1
|
| 1117 |
+
ATOM 194 O OP1 . A A 1 7 ? -13.017 -0.129 -16.917 1.00 0.00 ? 8 A A OP1 1
|
| 1118 |
+
ATOM 195 O OP2 . A A 1 7 ? -10.789 -0.533 -18.114 1.00 0.00 ? 8 A A OP2 1
|
| 1119 |
+
ATOM 196 O "O5'" . A A 1 7 ? -10.998 1.246 -16.359 1.00 0.00 ? 8 A A "O5'" 1
|
| 1120 |
+
ATOM 197 C "C5'" . A A 1 7 ? -9.594 1.534 -16.330 1.00 0.00 ? 8 A A "C5'" 1
|
| 1121 |
+
ATOM 198 C "C4'" . A A 1 7 ? -9.324 3.028 -16.487 1.00 0.00 ? 8 A A "C4'" 1
|
| 1122 |
+
ATOM 199 O "O4'" . A A 1 7 ? -9.888 3.734 -15.367 1.00 0.00 ? 8 A A "O4'" 1
|
| 1123 |
+
ATOM 200 C "C3'" . A A 1 7 ? -7.849 3.416 -16.476 1.00 0.00 ? 8 A A "C3'" 1
|
| 1124 |
+
ATOM 201 O "O3'" . A A 1 7 ? -7.749 4.695 -17.117 1.00 0.00 ? 8 A A "O3'" 1
|
| 1125 |
+
ATOM 202 C "C2'" . A A 1 7 ? -7.578 3.625 -14.996 1.00 0.00 ? 8 A A "C2'" 1
|
| 1126 |
+
ATOM 203 O "O2'" . A A 1 7 ? -6.419 4.441 -14.799 1.00 0.00 ? 8 A A "O2'" 1
|
| 1127 |
+
ATOM 204 C "C1'" . A A 1 7 ? -8.852 4.361 -14.596 1.00 0.00 ? 8 A A "C1'" 1
|
| 1128 |
+
ATOM 205 N N9 . A A 1 7 ? -9.181 4.217 -13.165 1.00 0.00 ? 8 A A N9 1
|
| 1129 |
+
ATOM 206 C C8 . A A 1 7 ? -9.197 3.081 -12.396 1.00 0.00 ? 8 A A C8 1
|
| 1130 |
+
ATOM 207 N N7 . A A 1 7 ? -9.565 3.290 -11.162 1.00 0.00 ? 8 A A N7 1
|
| 1131 |
+
ATOM 208 C C5 . A A 1 7 ? -9.809 4.659 -11.116 1.00 0.00 ? 8 A A C5 1
|
| 1132 |
+
ATOM 209 C C6 . A A 1 7 ? -10.232 5.517 -10.089 1.00 0.00 ? 8 A A C6 1
|
| 1133 |
+
ATOM 210 N N6 . A A 1 7 ? -10.507 5.108 -8.854 1.00 0.00 ? 8 A A N6 1
|
| 1134 |
+
ATOM 211 N N1 . A A 1 7 ? -10.371 6.819 -10.377 1.00 0.00 ? 8 A A N1 1
|
| 1135 |
+
ATOM 212 C C2 . A A 1 7 ? -10.107 7.238 -11.609 1.00 0.00 ? 8 A A C2 1
|
| 1136 |
+
ATOM 213 N N3 . A A 1 7 ? -9.706 6.537 -12.659 1.00 0.00 ? 8 A A N3 1
|
| 1137 |
+
ATOM 214 C C4 . A A 1 7 ? -9.576 5.234 -12.332 1.00 0.00 ? 8 A A C4 1
|
| 1138 |
+
ATOM 215 H "H5'" . A A 1 7 ? -9.102 0.997 -17.142 1.00 0.00 ? 8 A A "H5'" 1
|
| 1139 |
+
ATOM 216 H "H5''" . A A 1 7 ? -9.181 1.197 -15.379 1.00 0.00 ? 8 A A "H5''" 1
|
| 1140 |
+
ATOM 217 H "H4'" . A A 1 7 ? -9.803 3.377 -17.402 1.00 0.00 ? 8 A A "H4'" 1
|
| 1141 |
+
ATOM 218 H "H3'" . A A 1 7 ? -7.199 2.673 -16.940 1.00 0.00 ? 8 A A "H3'" 1
|
| 1142 |
+
ATOM 219 H "H2'" . A A 1 7 ? -7.490 2.672 -14.474 1.00 0.00 ? 8 A A "H2'" 1
|
| 1143 |
+
ATOM 220 H "HO2'" . A A 1 7 ? -6.636 5.329 -15.104 1.00 0.00 ? 8 A A "HO2'" 1
|
| 1144 |
+
ATOM 221 H "H1'" . A A 1 7 ? -8.793 5.419 -14.854 1.00 0.00 ? 8 A A "H1'" 1
|
| 1145 |
+
ATOM 222 H H8 . A A 1 7 ? -8.927 2.098 -12.779 1.00 0.00 ? 8 A A H8 1
|
| 1146 |
+
ATOM 223 H H61 . A A 1 7 ? -10.767 5.780 -8.147 1.00 0.00 ? 8 A A H61 1
|
| 1147 |
+
ATOM 224 H H62 . A A 1 7 ? -10.462 4.126 -8.627 1.00 0.00 ? 8 A A H62 1
|
| 1148 |
+
ATOM 225 H H2 . A A 1 7 ? -10.238 8.306 -11.781 1.00 0.00 ? 8 A A H2 1
|
| 1149 |
+
ATOM 226 P P . A A 1 8 ? -6.473 5.074 -18.027 1.00 0.00 ? 9 A A P 1
|
| 1150 |
+
ATOM 227 O OP1 . A A 1 8 ? -6.925 5.185 -19.432 1.00 0.00 ? 9 A A OP1 1
|
| 1151 |
+
ATOM 228 O OP2 . A A 1 8 ? -5.362 4.158 -17.682 1.00 0.00 ? 9 A A OP2 1
|
| 1152 |
+
ATOM 229 O "O5'" . A A 1 8 ? -6.098 6.553 -17.503 1.00 0.00 ? 9 A A "O5'" 1
|
| 1153 |
+
ATOM 230 C "C5'" . A A 1 8 ? -4.914 6.785 -16.730 1.00 0.00 ? 9 A A "C5'" 1
|
| 1154 |
+
ATOM 231 C "C4'" . A A 1 8 ? -5.197 7.659 -15.511 1.00 0.00 ? 9 A A "C4'" 1
|
| 1155 |
+
ATOM 232 O "O4'" . A A 1 8 ? -6.041 6.953 -14.609 1.00 0.00 ? 9 A A "O4'" 1
|
| 1156 |
+
ATOM 233 C "C3'" . A A 1 8 ? -3.971 7.988 -14.662 1.00 0.00 ? 9 A A "C3'" 1
|
| 1157 |
+
ATOM 234 O "O3'" . A A 1 8 ? -3.565 9.328 -14.997 1.00 0.00 ? 9 A A "O3'" 1
|
| 1158 |
+
ATOM 235 C "C2'" . A A 1 8 ? -4.499 8.009 -13.217 1.00 0.00 ? 9 A A "C2'" 1
|
| 1159 |
+
ATOM 236 O "O2'" . A A 1 8 ? -4.419 9.320 -12.656 1.00 0.00 ? 9 A A "O2'" 1
|
| 1160 |
+
ATOM 237 C "C1'" . A A 1 8 ? -5.954 7.602 -13.346 1.00 0.00 ? 9 A A "C1'" 1
|
| 1161 |
+
ATOM 238 N N9 . A A 1 8 ? -6.322 6.672 -12.272 1.00 0.00 ? 9 A A N9 1
|
| 1162 |
+
ATOM 239 C C8 . A A 1 8 ? -6.194 5.314 -12.244 1.00 0.00 ? 9 A A C8 1
|
| 1163 |
+
ATOM 240 N N7 . A A 1 8 ? -6.538 4.777 -11.104 1.00 0.00 ? 9 A A N7 1
|
| 1164 |
+
ATOM 241 C C5 . A A 1 8 ? -6.915 5.869 -10.327 1.00 0.00 ? 9 A A C5 1
|
| 1165 |
+
ATOM 242 C C6 . A A 1 8 ? -7.382 5.988 -9.008 1.00 0.00 ? 9 A A C6 1
|
| 1166 |
+
ATOM 243 N N6 . A A 1 8 ? -7.560 4.952 -8.193 1.00 0.00 ? 9 A A N6 1
|
| 1167 |
+
ATOM 244 N N1 . A A 1 8 ? -7.661 7.218 -8.550 1.00 0.00 ? 9 A A N1 1
|
| 1168 |
+
ATOM 245 C C2 . A A 1 8 ? -7.485 8.260 -9.355 1.00 0.00 ? 9 A A C2 1
|
| 1169 |
+
ATOM 246 N N3 . A A 1 8 ? -7.058 8.281 -10.607 1.00 0.00 ? 9 A A N3 1
|
| 1170 |
+
ATOM 247 C C4 . A A 1 8 ? -6.787 7.029 -11.032 1.00 0.00 ? 9 A A C4 1
|
| 1171 |
+
ATOM 248 H "H5'" . A A 1 8 ? -4.172 7.281 -17.357 1.00 0.00 ? 9 A A "H5'" 1
|
| 1172 |
+
ATOM 249 H "H5''" . A A 1 8 ? -4.512 5.828 -16.394 1.00 0.00 ? 9 A A "H5''" 1
|
| 1173 |
+
ATOM 250 H "H4'" . A A 1 8 ? -5.699 8.571 -15.834 1.00 0.00 ? 9 A A "H4'" 1
|
| 1174 |
+
ATOM 251 H "H3'" . A A 1 8 ? -3.158 7.275 -14.800 1.00 0.00 ? 9 A A "H3'" 1
|
| 1175 |
+
ATOM 252 H "H2'" . A A 1 8 ? -3.963 7.279 -12.608 1.00 0.00 ? 9 A A "H2'" 1
|
| 1176 |
+
ATOM 253 H "HO2'" . A A 1 8 ? -3.489 9.532 -12.551 1.00 0.00 ? 9 A A "HO2'" 1
|
| 1177 |
+
ATOM 254 H "H1'" . A A 1 8 ? -6.612 8.471 -13.328 1.00 0.00 ? 9 A A "H1'" 1
|
| 1178 |
+
ATOM 255 H H8 . A A 1 8 ? -5.800 4.743 -13.083 1.00 0.00 ? 9 A A H8 1
|
| 1179 |
+
ATOM 256 H H61 . A A 1 8 ? -7.918 5.098 -7.262 1.00 0.00 ? 9 A A H61 1
|
| 1180 |
+
ATOM 257 H H62 . A A 1 8 ? -7.334 4.019 -8.508 1.00 0.00 ? 9 A A H62 1
|
| 1181 |
+
ATOM 258 H H2 . A A 1 8 ? -7.712 9.236 -8.922 1.00 0.00 ? 9 A A H2 1
|
| 1182 |
+
ATOM 259 P P . G A 1 9 ? -2.255 10.007 -14.327 1.00 0.00 ? 10 G A P 1
|
| 1183 |
+
ATOM 260 O OP1 . G A 1 9 ? -1.180 10.034 -15.344 1.00 0.00 ? 10 G A OP1 1
|
| 1184 |
+
ATOM 261 O OP2 . G A 1 9 ? -2.008 9.364 -13.015 1.00 0.00 ? 10 G A OP2 1
|
| 1185 |
+
ATOM 262 O "O5'" . G A 1 9 ? -2.750 11.545 -14.070 1.00 0.00 ? 10 G A "O5'" 1
|
| 1186 |
+
ATOM 263 C "C5'" . G A 1 9 ? -3.929 11.867 -13.279 1.00 0.00 ? 10 G A "C5'" 1
|
| 1187 |
+
ATOM 264 C "C4'" . G A 1 9 ? -3.585 12.098 -11.799 1.00 0.00 ? 10 G A "C4'" 1
|
| 1188 |
+
ATOM 265 O "O4'" . G A 1 9 ? -4.475 11.307 -10.992 1.00 0.00 ? 10 G A "O4'" 1
|
| 1189 |
+
ATOM 266 C "C3'" . G A 1 9 ? -2.226 11.566 -11.450 1.00 0.00 ? 10 G A "C3'" 1
|
| 1190 |
+
ATOM 267 O "O3'" . G A 1 9 ? -1.221 12.584 -11.565 1.00 0.00 ? 10 G A "O3'" 1
|
| 1191 |
+
ATOM 268 C "C2'" . G A 1 9 ? -2.368 11.341 -9.937 1.00 0.00 ? 10 G A "C2'" 1
|
| 1192 |
+
ATOM 269 O "O2'" . G A 1 9 ? -2.160 12.558 -9.222 1.00 0.00 ? 10 G A "O2'" 1
|
| 1193 |
+
ATOM 270 C "C1'" . G A 1 9 ? -3.818 10.901 -9.780 1.00 0.00 ? 10 G A "C1'" 1
|
| 1194 |
+
ATOM 271 N N9 . G A 1 9 ? -3.925 9.442 -9.571 1.00 0.00 ? 10 G A N9 1
|
| 1195 |
+
ATOM 272 C C8 . G A 1 9 ? -3.518 8.422 -10.388 1.00 0.00 ? 10 G A C8 1
|
| 1196 |
+
ATOM 273 N N7 . G A 1 9 ? -3.669 7.236 -9.869 1.00 0.00 ? 10 G A N7 1
|
| 1197 |
+
ATOM 274 C C5 . G A 1 9 ? -4.217 7.487 -8.617 1.00 0.00 ? 10 G A C5 1
|
| 1198 |
+
ATOM 275 C C6 . G A 1 9 ? -4.600 6.582 -7.587 1.00 0.00 ? 10 G A C6 1
|
| 1199 |
+
ATOM 276 O O6 . G A 1 9 ? -4.527 5.355 -7.578 1.00 0.00 ? 10 G A O6 1
|
| 1200 |
+
ATOM 277 N N1 . G A 1 9 ? -5.106 7.249 -6.487 1.00 0.00 ? 10 G A N1 1
|
| 1201 |
+
ATOM 278 C C2 . G A 1 9 ? -5.233 8.610 -6.382 1.00 0.00 ? 10 G A C2 1
|
| 1202 |
+
ATOM 279 N N2 . G A 1 9 ? -5.735 9.080 -5.249 1.00 0.00 ? 10 G A N2 1
|
| 1203 |
+
ATOM 280 N N3 . G A 1 9 ? -4.882 9.469 -7.334 1.00 0.00 ? 10 G A N3 1
|
| 1204 |
+
ATOM 281 C C4 . G A 1 9 ? -4.381 8.837 -8.424 1.00 0.00 ? 10 G A C4 1
|
| 1205 |
+
ATOM 282 H "H5'" . G A 1 9 ? -4.637 11.040 -13.350 1.00 0.00 ? 10 G A "H5'" 1
|
| 1206 |
+
ATOM 283 H "H5''" . G A 1 9 ? -4.395 12.766 -13.681 1.00 0.00 ? 10 G A "H5''" 1
|
| 1207 |
+
ATOM 284 H "H4'" . G A 1 9 ? -3.685 13.154 -11.548 1.00 0.00 ? 10 G A "H4'" 1
|
| 1208 |
+
ATOM 285 H "H3'" . G A 1 9 ? -1.957 10.660 -11.988 1.00 0.00 ? 10 G A "H3'" 1
|
| 1209 |
+
ATOM 286 H "H2'" . G A 1 9 ? -1.688 10.564 -9.593 1.00 0.00 ? 10 G A "H2'" 1
|
| 1210 |
+
ATOM 287 H "HO2'" . G A 1 9 ? -2.739 13.218 -9.609 1.00 0.00 ? 10 G A "HO2'" 1
|
| 1211 |
+
ATOM 288 H "H1'" . G A 1 9 ? -4.285 11.412 -8.938 1.00 0.00 ? 10 G A "H1'" 1
|
| 1212 |
+
ATOM 289 H H8 . G A 1 9 ? -3.091 8.588 -11.375 1.00 0.00 ? 10 G A H8 1
|
| 1213 |
+
ATOM 290 H H1 . G A 1 9 ? -5.390 6.685 -5.701 1.00 0.00 ? 10 G A H1 1
|
| 1214 |
+
ATOM 291 H H21 . G A 1 9 ? -5.996 8.446 -4.510 1.00 0.00 ? 10 G A H21 1
|
| 1215 |
+
ATOM 292 H H22 . G A 1 9 ? -5.854 10.075 -5.129 1.00 0.00 ? 10 G A H22 1
|
| 1216 |
+
ATOM 293 P P . C A 1 10 ? 0.320 12.260 -11.172 1.00 0.00 ? 11 C A P 1
|
| 1217 |
+
ATOM 294 O OP1 . C A 1 10 ? 1.198 13.152 -11.960 1.00 0.00 ? 11 C A OP1 1
|
| 1218 |
+
ATOM 295 O OP2 . C A 1 10 ? 0.519 10.793 -11.228 1.00 0.00 ? 11 C A OP2 1
|
| 1219 |
+
ATOM 296 O "O5'" . C A 1 10 ? 0.398 12.714 -9.623 1.00 0.00 ? 11 C A "O5'" 1
|
| 1220 |
+
ATOM 297 C "C5'" . C A 1 10 ? -0.092 14.028 -9.185 1.00 0.00 ? 11 C A "C5'" 1
|
| 1221 |
+
ATOM 298 C "C4'" . C A 1 10 ? 0.254 14.240 -7.713 1.00 0.00 ? 11 C A "C4'" 1
|
| 1222 |
+
ATOM 299 O "O4'" . C A 1 10 ? -0.630 13.411 -6.948 1.00 0.00 ? 11 C A "O4'" 1
|
| 1223 |
+
ATOM 300 C "C3'" . C A 1 10 ? 1.643 13.714 -7.504 1.00 0.00 ? 11 C A "C3'" 1
|
| 1224 |
+
ATOM 301 O "O3'" . C A 1 10 ? 2.605 14.762 -7.282 1.00 0.00 ? 11 C A "O3'" 1
|
| 1225 |
+
ATOM 302 C "C2'" . C A 1 10 ? 1.538 13.017 -6.141 1.00 0.00 ? 11 C A "C2'" 1
|
| 1226 |
+
ATOM 303 O "O2'" . C A 1 10 ? 1.766 13.954 -5.084 1.00 0.00 ? 11 C A "O2'" 1
|
| 1227 |
+
ATOM 304 C "C1'" . C A 1 10 ? 0.094 12.527 -6.098 1.00 0.00 ? 11 C A "C1'" 1
|
| 1228 |
+
ATOM 305 N N1 . C A 1 10 ? -0.074 11.141 -6.604 1.00 0.00 ? 11 C A N1 1
|
| 1229 |
+
ATOM 306 C C2 . C A 1 10 ? -0.633 10.202 -5.748 1.00 0.00 ? 11 C A C2 1
|
| 1230 |
+
ATOM 307 O O2 . C A 1 10 ? -0.949 10.516 -4.604 1.00 0.00 ? 11 C A O2 1
|
| 1231 |
+
ATOM 308 N N3 . C A 1 10 ? -0.821 8.931 -6.201 1.00 0.00 ? 11 C A N3 1
|
| 1232 |
+
ATOM 309 C C4 . C A 1 10 ? -0.472 8.594 -7.448 1.00 0.00 ? 11 C A C4 1
|
| 1233 |
+
ATOM 310 N N4 . C A 1 10 ? -0.686 7.342 -7.837 1.00 0.00 ? 11 C A N4 1
|
| 1234 |
+
ATOM 311 C C5 . C A 1 10 ? 0.105 9.551 -8.332 1.00 0.00 ? 11 C A C5 1
|
| 1235 |
+
ATOM 312 C C6 . C A 1 10 ? 0.284 10.801 -7.875 1.00 0.00 ? 11 C A C6 1
|
| 1236 |
+
ATOM 313 H "H5'" . C A 1 10 ? -1.173 14.080 -9.316 1.00 0.00 ? 11 C A "H5'" 1
|
| 1237 |
+
ATOM 314 H "H5''" . C A 1 10 ? 0.384 14.806 -9.782 1.00 0.00 ? 11 C A "H5''" 1
|
| 1238 |
+
ATOM 315 H "H4'" . C A 1 10 ? 0.153 15.288 -7.432 1.00 0.00 ? 11 C A "H4'" 1
|
| 1239 |
+
ATOM 316 H "H3'" . C A 1 10 ? 1.970 13.040 -8.295 1.00 0.00 ? 11 C A "H3'" 1
|
| 1240 |
+
ATOM 317 H "H2'" . C A 1 10 ? 2.230 12.184 -6.074 1.00 0.00 ? 11 C A "H2'" 1
|
| 1241 |
+
ATOM 318 H "HO2'" . C A 1 10 ? 1.979 14.797 -5.493 1.00 0.00 ? 11 C A "HO2'" 1
|
| 1242 |
+
ATOM 319 H "H1'" . C A 1 10 ? -0.308 12.594 -5.087 1.00 0.00 ? 11 C A "H1'" 1
|
| 1243 |
+
ATOM 320 H H41 . C A 1 10 ? -1.089 6.674 -7.194 1.00 0.00 ? 11 C A H41 1
|
| 1244 |
+
ATOM 321 H H42 . C A 1 10 ? -0.447 7.057 -8.775 1.00 0.00 ? 11 C A H42 1
|
| 1245 |
+
ATOM 322 H H5 . C A 1 10 ? 0.394 9.286 -9.349 1.00 0.00 ? 11 C A H5 1
|
| 1246 |
+
ATOM 323 H H6 . C A 1 10 ? 0.708 11.554 -8.534 1.00 0.00 ? 11 C A H6 1
|
| 1247 |
+
ATOM 324 P P . U A 1 11 ? 4.187 14.423 -7.239 1.00 0.00 ? 12 U A P 1
|
| 1248 |
+
ATOM 325 O OP1 . U A 1 11 ? 4.932 15.699 -7.150 1.00 0.00 ? 12 U A OP1 1
|
| 1249 |
+
ATOM 326 O OP2 . U A 1 11 ? 4.486 13.467 -8.330 1.00 0.00 ? 12 U A OP2 1
|
| 1250 |
+
ATOM 327 O "O5'" . U A 1 11 ? 4.346 13.638 -5.828 1.00 0.00 ? 12 U A "O5'" 1
|
| 1251 |
+
ATOM 328 C "C5'" . U A 1 11 ? 4.593 14.296 -4.555 1.00 0.00 ? 12 U A "C5'" 1
|
| 1252 |
+
ATOM 329 C "C4'" . U A 1 11 ? 5.328 13.319 -3.634 1.00 0.00 ? 12 U A "C4'" 1
|
| 1253 |
+
ATOM 330 O "O4'" . U A 1 11 ? 4.420 12.266 -3.286 1.00 0.00 ? 12 U A "O4'" 1
|
| 1254 |
+
ATOM 331 C "C3'" . U A 1 11 ? 6.432 12.670 -4.428 1.00 0.00 ? 12 U A "C3'" 1
|
| 1255 |
+
ATOM 332 O "O3'" . U A 1 11 ? 7.724 13.192 -4.083 1.00 0.00 ? 12 U A "O3'" 1
|
| 1256 |
+
ATOM 333 C "C2'" . U A 1 11 ? 6.469 11.243 -3.867 1.00 0.00 ? 12 U A "C2'" 1
|
| 1257 |
+
ATOM 334 O "O2'" . U A 1 11 ? 7.359 11.171 -2.747 1.00 0.00 ? 12 U A "O2'" 1
|
| 1258 |
+
ATOM 335 C "C1'" . U A 1 11 ? 5.040 10.983 -3.407 1.00 0.00 ? 12 U A "C1'" 1
|
| 1259 |
+
ATOM 336 N N1 . U A 1 11 ? 4.279 10.146 -4.362 1.00 0.00 ? 12 U A N1 1
|
| 1260 |
+
ATOM 337 C C2 . U A 1 11 ? 3.964 8.856 -3.970 1.00 0.00 ? 12 U A C2 1
|
| 1261 |
+
ATOM 338 O O2 . U A 1 11 ? 4.280 8.400 -2.877 1.00 0.00 ? 12 U A O2 1
|
| 1262 |
+
ATOM 339 N N3 . U A 1 11 ? 3.267 8.100 -4.884 1.00 0.00 ? 12 U A N3 1
|
| 1263 |
+
ATOM 340 C C4 . U A 1 11 ? 2.861 8.507 -6.134 1.00 0.00 ? 12 U A C4 1
|
| 1264 |
+
ATOM 341 O O4 . U A 1 11 ? 2.240 7.737 -6.856 1.00 0.00 ? 12 U A O4 1
|
| 1265 |
+
ATOM 342 C C5 . U A 1 11 ? 3.224 9.860 -6.475 1.00 0.00 ? 12 U A C5 1
|
| 1266 |
+
ATOM 343 C C6 . U A 1 11 ? 3.910 10.623 -5.590 1.00 0.00 ? 12 U A C6 1
|
| 1267 |
+
ATOM 344 H "H5'" . U A 1 11 ? 3.646 14.588 -4.100 1.00 0.00 ? 12 U A "H5'" 1
|
| 1268 |
+
ATOM 345 H "H5''" . U A 1 11 ? 5.210 15.181 -4.715 1.00 0.00 ? 12 U A "H5''" 1
|
| 1269 |
+
ATOM 346 H "H4'" . U A 1 11 ? 5.697 13.826 -2.742 1.00 0.00 ? 12 U A "H4'" 1
|
| 1270 |
+
ATOM 347 H "H3'" . U A 1 11 ? 6.269 12.700 -5.504 1.00 0.00 ? 12 U A "H3'" 1
|
| 1271 |
+
ATOM 348 H "H2'" . U A 1 11 ? 6.757 10.533 -4.638 1.00 0.00 ? 12 U A "H2'" 1
|
| 1272 |
+
ATOM 349 H "HO2'" . U A 1 11 ? 7.231 11.971 -2.231 1.00 0.00 ? 12 U A "HO2'" 1
|
| 1273 |
+
ATOM 350 H "H1'" . U A 1 11 ? 5.037 10.497 -2.431 1.00 0.00 ? 12 U A "H1'" 1
|
| 1274 |
+
ATOM 351 H H3 . U A 1 11 ? 3.041 7.155 -4.615 1.00 0.00 ? 12 U A H3 1
|
| 1275 |
+
ATOM 352 H H5 . U A 1 11 ? 2.952 10.266 -7.449 1.00 0.00 ? 12 U A H5 1
|
| 1276 |
+
ATOM 353 H H6 . U A 1 11 ? 4.171 11.641 -5.863 1.00 0.00 ? 12 U A H6 1
|
| 1277 |
+
ATOM 354 P P . C A 1 12 ? 8.996 12.929 -5.043 1.00 0.00 ? 13 C A P 1
|
| 1278 |
+
ATOM 355 O OP1 . C A 1 12 ? 10.183 13.562 -4.424 1.00 0.00 ? 13 C A OP1 1
|
| 1279 |
+
ATOM 356 O OP2 . C A 1 12 ? 8.610 13.284 -6.427 1.00 0.00 ? 13 C A OP2 1
|
| 1280 |
+
ATOM 357 O "O5'" . C A 1 12 ? 9.182 11.325 -4.973 1.00 0.00 ? 13 C A "O5'" 1
|
| 1281 |
+
ATOM 358 C "C5'" . C A 1 12 ? 9.831 10.708 -3.851 1.00 0.00 ? 13 C A "C5'" 1
|
| 1282 |
+
ATOM 359 C "C4'" . C A 1 12 ? 9.713 9.183 -3.885 1.00 0.00 ? 13 C A "C4'" 1
|
| 1283 |
+
ATOM 360 O "O4'" . C A 1 12 ? 8.335 8.799 -3.893 1.00 0.00 ? 13 C A "O4'" 1
|
| 1284 |
+
ATOM 361 C "C3'" . C A 1 12 ? 10.268 8.515 -5.130 1.00 0.00 ? 13 C A "C3'" 1
|
| 1285 |
+
ATOM 362 O "O3'" . C A 1 12 ? 11.693 8.395 -5.060 1.00 0.00 ? 13 C A "O3'" 1
|
| 1286 |
+
ATOM 363 C "C2'" . C A 1 12 ? 9.597 7.150 -5.031 1.00 0.00 ? 13 C A "C2'" 1
|
| 1287 |
+
ATOM 364 O "O2'" . C A 1 12 ? 10.250 6.338 -4.049 1.00 0.00 ? 13 C A "O2'" 1
|
| 1288 |
+
ATOM 365 C "C1'" . C A 1 12 ? 8.187 7.534 -4.562 1.00 0.00 ? 13 C A "C1'" 1
|
| 1289 |
+
ATOM 366 N N1 . C A 1 12 ? 7.237 7.693 -5.684 1.00 0.00 ? 13 C A N1 1
|
| 1290 |
+
ATOM 367 C C2 . C A 1 12 ? 6.386 6.634 -5.964 1.00 0.00 ? 13 C A C2 1
|
| 1291 |
+
ATOM 368 O O2 . C A 1 12 ? 6.440 5.600 -5.304 1.00 0.00 ? 13 C A O2 1
|
| 1292 |
+
ATOM 369 N N3 . C A 1 12 ? 5.497 6.762 -6.984 1.00 0.00 ? 13 C A N3 1
|
| 1293 |
+
ATOM 370 C C4 . C A 1 12 ? 5.444 7.887 -7.704 1.00 0.00 ? 13 C A C4 1
|
| 1294 |
+
ATOM 371 N N4 . C A 1 12 ? 4.540 7.954 -8.675 1.00 0.00 ? 13 C A N4 1
|
| 1295 |
+
ATOM 372 C C5 . C A 1 12 ? 6.317 8.983 -7.426 1.00 0.00 ? 13 C A C5 1
|
| 1296 |
+
ATOM 373 C C6 . C A 1 12 ? 7.193 8.846 -6.414 1.00 0.00 ? 13 C A C6 1
|
| 1297 |
+
ATOM 374 H "H5'" . C A 1 12 ? 9.376 11.076 -2.932 1.00 0.00 ? 13 C A "H5'" 1
|
| 1298 |
+
ATOM 375 H "H5''" . C A 1 12 ? 10.886 10.981 -3.858 1.00 0.00 ? 13 C A "H5''" 1
|
| 1299 |
+
ATOM 376 H "H4'" . C A 1 12 ? 10.187 8.775 -2.992 1.00 0.00 ? 13 C A "H4'" 1
|
| 1300 |
+
ATOM 377 H "H3'" . C A 1 12 ? 9.956 9.041 -6.032 1.00 0.00 ? 13 C A "H3'" 1
|
| 1301 |
+
ATOM 378 H "HO3'" . C A 1 12 ? 12.045 9.274 -4.900 1.00 0.00 ? 13 C A "HO3'" 1
|
| 1302 |
+
ATOM 379 H "H2'" . C A 1 12 ? 9.567 6.651 -5.999 1.00 0.00 ? 13 C A "H2'" 1
|
| 1303 |
+
ATOM 380 H "HO2'" . C A 1 12 ? 11.195 6.486 -4.141 1.00 0.00 ? 13 C A "HO2'" 1
|
| 1304 |
+
ATOM 381 H "H1'" . C A 1 12 ? 7.794 6.797 -3.858 1.00 0.00 ? 13 C A "H1'" 1
|
| 1305 |
+
ATOM 382 H H41 . C A 1 12 ? 3.979 7.142 -8.901 1.00 0.00 ? 13 C A H41 1
|
| 1306 |
+
ATOM 383 H H42 . C A 1 12 ? 4.409 8.814 -9.183 1.00 0.00 ? 13 C A H42 1
|
| 1307 |
+
ATOM 384 H H5 . C A 1 12 ? 6.282 9.903 -8.008 1.00 0.00 ? 13 C A H5 1
|
| 1308 |
+
ATOM 385 H H6 . C A 1 12 ? 7.874 9.663 -6.176 1.00 0.00 ? 13 C A H6 1
|
| 1309 |
+
ATOM 386 O "O5'" . G B 2 1 ? 0.338 -0.746 -11.713 1.00 0.00 ? 18 G B "O5'" 1
|
| 1310 |
+
ATOM 387 C "C5'" . G B 2 1 ? 0.933 -2.021 -11.454 1.00 0.00 ? 18 G B "C5'" 1
|
| 1311 |
+
ATOM 388 C "C4'" . G B 2 1 ? 2.100 -1.910 -10.477 1.00 0.00 ? 18 G B "C4'" 1
|
| 1312 |
+
ATOM 389 O "O4'" . G B 2 1 ? 3.056 -0.963 -10.975 1.00 0.00 ? 18 G B "O4'" 1
|
| 1313 |
+
ATOM 390 C "C3'" . G B 2 1 ? 1.748 -1.353 -9.112 1.00 0.00 ? 18 G B "C3'" 1
|
| 1314 |
+
ATOM 391 O "O3'" . G B 2 1 ? 1.317 -2.445 -8.287 1.00 0.00 ? 18 G B "O3'" 1
|
| 1315 |
+
ATOM 392 C "C2'" . G B 2 1 ? 3.108 -0.902 -8.611 1.00 0.00 ? 18 G B "C2'" 1
|
| 1316 |
+
ATOM 393 O "O2'" . G B 2 1 ? 3.893 -2.018 -8.179 1.00 0.00 ? 18 G B "O2'" 1
|
| 1317 |
+
ATOM 394 C "C1'" . G B 2 1 ? 3.695 -0.281 -9.874 1.00 0.00 ? 18 G B "C1'" 1
|
| 1318 |
+
ATOM 395 N N9 . G B 2 1 ? 3.396 1.160 -9.954 1.00 0.00 ? 18 G B N9 1
|
| 1319 |
+
ATOM 396 C C8 . G B 2 1 ? 2.523 1.804 -10.784 1.00 0.00 ? 18 G B C8 1
|
| 1320 |
+
ATOM 397 N N7 . G B 2 1 ? 2.457 3.091 -10.583 1.00 0.00 ? 18 G B N7 1
|
| 1321 |
+
ATOM 398 C C5 . G B 2 1 ? 3.353 3.311 -9.541 1.00 0.00 ? 18 G B C5 1
|
| 1322 |
+
ATOM 399 C C6 . G B 2 1 ? 3.713 4.519 -8.883 1.00 0.00 ? 18 G B C6 1
|
| 1323 |
+
ATOM 400 O O6 . G B 2 1 ? 3.302 5.657 -9.092 1.00 0.00 ? 18 G B O6 1
|
| 1324 |
+
ATOM 401 N N1 . G B 2 1 ? 4.648 4.298 -7.890 1.00 0.00 ? 18 G B N1 1
|
| 1325 |
+
ATOM 402 C C2 . G B 2 1 ? 5.178 3.076 -7.565 1.00 0.00 ? 18 G B C2 1
|
| 1326 |
+
ATOM 403 N N2 . G B 2 1 ? 6.062 3.047 -6.578 1.00 0.00 ? 18 G B N2 1
|
| 1327 |
+
ATOM 404 N N3 . G B 2 1 ? 4.853 1.937 -8.171 1.00 0.00 ? 18 G B N3 1
|
| 1328 |
+
ATOM 405 C C4 . G B 2 1 ? 3.935 2.132 -9.149 1.00 0.00 ? 18 G B C4 1
|
| 1329 |
+
ATOM 406 H "H5'" . G B 2 1 ? 1.294 -2.442 -12.393 1.00 0.00 ? 18 G B "H5'" 1
|
| 1330 |
+
ATOM 407 H "H5''" . G B 2 1 ? 0.179 -2.687 -11.033 1.00 0.00 ? 18 G B "H5''" 1
|
| 1331 |
+
ATOM 408 H "H4'" . G B 2 1 ? 2.579 -2.885 -10.382 1.00 0.00 ? 18 G B "H4'" 1
|
| 1332 |
+
ATOM 409 H "H3'" . G B 2 1 ? 1.012 -0.549 -9.149 1.00 0.00 ? 18 G B "H3'" 1
|
| 1333 |
+
ATOM 410 H "H2'" . G B 2 1 ? 3.009 -0.156 -7.827 1.00 0.00 ? 18 G B "H2'" 1
|
| 1334 |
+
ATOM 411 H "HO2'" . G B 2 1 ? 3.444 -2.405 -7.424 1.00 0.00 ? 18 G B "HO2'" 1
|
| 1335 |
+
ATOM 412 H "H1'" . G B 2 1 ? 4.773 -0.435 -9.925 1.00 0.00 ? 18 G B "H1'" 1
|
| 1336 |
+
ATOM 413 H H8 . G B 2 1 ? 1.926 1.286 -11.529 1.00 0.00 ? 18 G B H8 1
|
| 1337 |
+
ATOM 414 H H1 . G B 2 1 ? 4.959 5.101 -7.369 1.00 0.00 ? 18 G B H1 1
|
| 1338 |
+
ATOM 415 H H21 . G B 2 1 ? 6.324 3.901 -6.108 1.00 0.00 ? 18 G B H21 1
|
| 1339 |
+
ATOM 416 H H22 . G B 2 1 ? 6.471 2.169 -6.297 1.00 0.00 ? 18 G B H22 1
|
| 1340 |
+
ATOM 417 H "HO5'" . G B 2 1 ? 1.040 -0.160 -12.005 1.00 0.00 ? 18 G B "HO5'" 1
|
| 1341 |
+
ATOM 418 P P . A B 2 2 ? 0.622 -2.168 -6.857 1.00 0.00 ? 19 A B P 1
|
| 1342 |
+
ATOM 419 O OP1 . A B 2 2 ? 0.056 -3.443 -6.364 1.00 0.00 ? 19 A B OP1 1
|
| 1343 |
+
ATOM 420 O OP2 . A B 2 2 ? -0.245 -0.976 -6.983 1.00 0.00 ? 19 A B OP2 1
|
| 1344 |
+
ATOM 421 O "O5'" . A B 2 2 ? 1.885 -1.776 -5.919 1.00 0.00 ? 19 A B "O5'" 1
|
| 1345 |
+
ATOM 422 C "C5'" . A B 2 2 ? 2.699 -2.747 -5.207 1.00 0.00 ? 19 A B "C5'" 1
|
| 1346 |
+
ATOM 423 C "C4'" . A B 2 2 ? 3.243 -2.081 -3.944 1.00 0.00 ? 19 A B "C4'" 1
|
| 1347 |
+
ATOM 424 O "O4'" . A B 2 2 ? 4.155 -1.035 -4.336 1.00 0.00 ? 19 A B "O4'" 1
|
| 1348 |
+
ATOM 425 C "C3'" . A B 2 2 ? 2.102 -1.369 -3.265 1.00 0.00 ? 19 A B "C3'" 1
|
| 1349 |
+
ATOM 426 O "O3'" . A B 2 2 ? 1.572 -2.072 -2.127 1.00 0.00 ? 19 A B "O3'" 1
|
| 1350 |
+
ATOM 427 C "C2'" . A B 2 2 ? 2.815 -0.184 -2.629 1.00 0.00 ? 19 A B "C2'" 1
|
| 1351 |
+
ATOM 428 O "O2'" . A B 2 2 ? 3.430 -0.561 -1.392 1.00 0.00 ? 19 A B "O2'" 1
|
| 1352 |
+
ATOM 429 C "C1'" . A B 2 2 ? 3.862 0.183 -3.633 1.00 0.00 ? 19 A B "C1'" 1
|
| 1353 |
+
ATOM 430 N N9 . A B 2 2 ? 3.317 1.193 -4.542 1.00 0.00 ? 19 A B N9 1
|
| 1354 |
+
ATOM 431 C C8 . A B 2 2 ? 2.572 0.987 -5.650 1.00 0.00 ? 19 A B C8 1
|
| 1355 |
+
ATOM 432 N N7 . A B 2 2 ? 2.158 2.082 -6.224 1.00 0.00 ? 19 A B N7 1
|
| 1356 |
+
ATOM 433 C C5 . A B 2 2 ? 2.666 3.088 -5.410 1.00 0.00 ? 19 A B C5 1
|
| 1357 |
+
ATOM 434 C C6 . A B 2 2 ? 2.580 4.487 -5.460 1.00 0.00 ? 19 A B C6 1
|
| 1358 |
+
ATOM 435 N N6 . A B 2 2 ? 1.924 5.147 -6.409 1.00 0.00 ? 19 A B N6 1
|
| 1359 |
+
ATOM 436 N N1 . A B 2 2 ? 3.192 5.188 -4.493 1.00 0.00 ? 19 A B N1 1
|
| 1360 |
+
ATOM 437 C C2 . A B 2 2 ? 3.847 4.531 -3.539 1.00 0.00 ? 19 A B C2 1
|
| 1361 |
+
ATOM 438 N N3 . A B 2 2 ? 4.007 3.224 -3.387 1.00 0.00 ? 19 A B N3 1
|
| 1362 |
+
ATOM 439 C C4 . A B 2 2 ? 3.377 2.556 -4.376 1.00 0.00 ? 19 A B C4 1
|
| 1363 |
+
ATOM 440 H "H5'" . A B 2 2 ? 3.527 -3.071 -5.838 1.00 0.00 ? 19 A B "H5'" 1
|
| 1364 |
+
ATOM 441 H "H5''" . A B 2 2 ? 2.087 -3.607 -4.933 1.00 0.00 ? 19 A B "H5''" 1
|
| 1365 |
+
ATOM 442 H "H4'" . A B 2 2 ? 3.732 -2.807 -3.294 1.00 0.00 ? 19 A B "H4'" 1
|
| 1366 |
+
ATOM 443 H "H3'" . A B 2 2 ? 1.314 -1.065 -3.955 1.00 0.00 ? 19 A B "H3'" 1
|
| 1367 |
+
ATOM 444 H "H2'" . A B 2 2 ? 2.127 0.639 -2.510 1.00 0.00 ? 19 A B "H2'" 1
|
| 1368 |
+
ATOM 445 H "HO2'" . A B 2 2 ? 3.023 -1.385 -1.114 1.00 0.00 ? 19 A B "HO2'" 1
|
| 1369 |
+
ATOM 446 H "H1'" . A B 2 2 ? 4.764 0.562 -3.151 1.00 0.00 ? 19 A B "H1'" 1
|
| 1370 |
+
ATOM 447 H H8 . A B 2 2 ? 2.266 -0.002 -5.951 1.00 0.00 ? 19 A B H8 1
|
| 1371 |
+
ATOM 448 H H61 . A B 2 2 ? 1.938 6.155 -6.425 1.00 0.00 ? 19 A B H61 1
|
| 1372 |
+
ATOM 449 H H62 . A B 2 2 ? 1.411 4.637 -7.114 1.00 0.00 ? 19 A B H62 1
|
| 1373 |
+
ATOM 450 H H2 . A B 2 2 ? 4.277 5.151 -2.750 1.00 0.00 ? 19 A B H2 1
|
| 1374 |
+
ATOM 451 P P . G B 2 3 ? 0.311 -1.456 -1.305 1.00 0.00 ? 20 G B P 1
|
| 1375 |
+
ATOM 452 O OP1 . G B 2 3 ? 0.203 -2.176 -0.017 1.00 0.00 ? 20 G B OP1 1
|
| 1376 |
+
ATOM 453 O OP2 . G B 2 3 ? -0.853 -1.396 -2.218 1.00 0.00 ? 20 G B OP2 1
|
| 1377 |
+
ATOM 454 O "O5'" . G B 2 3 ? 0.798 0.063 -1.002 1.00 0.00 ? 20 G B "O5'" 1
|
| 1378 |
+
ATOM 455 C "C5'" . G B 2 3 ? 1.662 0.431 0.110 1.00 0.00 ? 20 G B "C5'" 1
|
| 1379 |
+
ATOM 456 C "C4'" . G B 2 3 ? 1.496 1.922 0.404 1.00 0.00 ? 20 G B "C4'" 1
|
| 1380 |
+
ATOM 457 O "O4'" . G B 2 3 ? 1.994 2.670 -0.714 1.00 0.00 ? 20 G B "O4'" 1
|
| 1381 |
+
ATOM 458 C "C3'" . G B 2 3 ? 0.037 2.255 0.443 1.00 0.00 ? 20 G B "C3'" 1
|
| 1382 |
+
ATOM 459 O "O3'" . G B 2 3 ? -0.483 2.203 1.778 1.00 0.00 ? 20 G B "O3'" 1
|
| 1383 |
+
ATOM 460 C "C2'" . G B 2 3 ? 0.068 3.753 0.117 1.00 0.00 ? 20 G B "C2'" 1
|
| 1384 |
+
ATOM 461 O "O2'" . G B 2 3 ? 0.375 4.515 1.290 1.00 0.00 ? 20 G B "O2'" 1
|
| 1385 |
+
ATOM 462 C "C1'" . G B 2 3 ? 1.209 3.855 -0.898 1.00 0.00 ? 20 G B "C1'" 1
|
| 1386 |
+
ATOM 463 N N9 . G B 2 3 ? 0.686 3.929 -2.272 1.00 0.00 ? 20 G B N9 1
|
| 1387 |
+
ATOM 464 C C8 . G B 2 3 ? 0.467 2.925 -3.177 1.00 0.00 ? 20 G B C8 1
|
| 1388 |
+
ATOM 465 N N7 . G B 2 3 ? -0.081 3.334 -4.289 1.00 0.00 ? 20 G B N7 1
|
| 1389 |
+
ATOM 466 C C5 . G B 2 3 ? -0.234 4.704 -4.101 1.00 0.00 ? 20 G B C5 1
|
| 1390 |
+
ATOM 467 C C6 . G B 2 3 ? -0.779 5.694 -4.965 1.00 0.00 ? 20 G B C6 1
|
| 1391 |
+
ATOM 468 O O6 . G B 2 3 ? -1.256 5.551 -6.086 1.00 0.00 ? 20 G B O6 1
|
| 1392 |
+
ATOM 469 N N1 . G B 2 3 ? -0.743 6.950 -4.386 1.00 0.00 ? 20 G B N1 1
|
| 1393 |
+
ATOM 470 C C2 . G B 2 3 ? -0.250 7.226 -3.137 1.00 0.00 ? 20 G B C2 1
|
| 1394 |
+
ATOM 471 N N2 . G B 2 3 ? -0.296 8.486 -2.732 1.00 0.00 ? 20 G B N2 1
|
| 1395 |
+
ATOM 472 N N3 . G B 2 3 ? 0.260 6.312 -2.321 1.00 0.00 ? 20 G B N3 1
|
| 1396 |
+
ATOM 473 C C4 . G B 2 3 ? 0.235 5.075 -2.869 1.00 0.00 ? 20 G B C4 1
|
| 1397 |
+
ATOM 474 H "H5'" . G B 2 3 ? 2.701 0.223 -0.146 1.00 0.00 ? 20 G B "H5'" 1
|
| 1398 |
+
ATOM 475 H "H5''" . G B 2 3 ? 1.382 -0.145 0.992 1.00 0.00 ? 20 G B "H5''" 1
|
| 1399 |
+
ATOM 476 H "H4'" . G B 2 3 ? 2.014 2.201 1.322 1.00 0.00 ? 20 G B "H4'" 1
|
| 1400 |
+
ATOM 477 H "H3'" . G B 2 3 ? -0.562 1.676 -0.260 1.00 0.00 ? 20 G B "H3'" 1
|
| 1401 |
+
ATOM 478 H "H2'" . G B 2 3 ? -0.876 4.077 -0.324 1.00 0.00 ? 20 G B "H2'" 1
|
| 1402 |
+
ATOM 479 H "HO2'" . G B 2 3 ? -0.055 4.079 2.030 1.00 0.00 ? 20 G B "HO2'" 1
|
| 1403 |
+
ATOM 480 H "H1'" . G B 2 3 ? 1.839 4.731 -0.710 1.00 0.00 ? 20 G B "H1'" 1
|
| 1404 |
+
ATOM 481 H H8 . G B 2 3 ? 0.709 1.883 -2.982 1.00 0.00 ? 20 G B H8 1
|
| 1405 |
+
ATOM 482 H H1 . G B 2 3 ? -1.109 7.715 -4.930 1.00 0.00 ? 20 G B H1 1
|
| 1406 |
+
ATOM 483 H H21 . G B 2 3 ? -0.695 9.195 -3.327 1.00 0.00 ? 20 G B H21 1
|
| 1407 |
+
ATOM 484 H H22 . G B 2 3 ? 0.069 8.735 -1.825 1.00 0.00 ? 20 G B H22 1
|
| 1408 |
+
ATOM 485 P P . U B 2 4 ? -2.030 1.828 2.038 1.00 0.00 ? 21 U B P 1
|
| 1409 |
+
ATOM 486 O OP1 . U B 2 4 ? -2.314 2.013 3.479 1.00 0.00 ? 21 U B OP1 1
|
| 1410 |
+
ATOM 487 O OP2 . U B 2 4 ? -2.304 0.525 1.392 1.00 0.00 ? 21 U B OP2 1
|
| 1411 |
+
ATOM 488 O "O5'" . U B 2 4 ? -2.820 2.971 1.215 1.00 0.00 ? 21 U B "O5'" 1
|
| 1412 |
+
ATOM 489 C "C5'" . U B 2 4 ? -3.014 4.281 1.769 1.00 0.00 ? 21 U B "C5'" 1
|
| 1413 |
+
ATOM 490 C "C4'" . U B 2 4 ? -3.668 5.231 0.767 1.00 0.00 ? 21 U B "C4'" 1
|
| 1414 |
+
ATOM 491 O "O4'" . U B 2 4 ? -2.883 5.281 -0.422 1.00 0.00 ? 21 U B "O4'" 1
|
| 1415 |
+
ATOM 492 C "C3'" . U B 2 4 ? -5.025 4.798 0.250 1.00 0.00 ? 21 U B "C3'" 1
|
| 1416 |
+
ATOM 493 O "O3'" . U B 2 4 ? -6.023 5.283 1.161 1.00 0.00 ? 21 U B "O3'" 1
|
| 1417 |
+
ATOM 494 C "C2'" . U B 2 4 ? -5.156 5.606 -1.038 1.00 0.00 ? 21 U B "C2'" 1
|
| 1418 |
+
ATOM 495 O "O2'" . U B 2 4 ? -5.645 6.921 -0.758 1.00 0.00 ? 21 U B "O2'" 1
|
| 1419 |
+
ATOM 496 C "C1'" . U B 2 4 ? -3.706 5.672 -1.536 1.00 0.00 ? 21 U B "C1'" 1
|
| 1420 |
+
ATOM 497 N N1 . U B 2 4 ? -3.467 4.737 -2.653 1.00 0.00 ? 21 U B N1 1
|
| 1421 |
+
ATOM 498 C C2 . U B 2 4 ? -3.850 5.140 -3.920 1.00 0.00 ? 21 U B C2 1
|
| 1422 |
+
ATOM 499 O O2 . U B 2 4 ? -4.363 6.235 -4.142 1.00 0.00 ? 21 U B O2 1
|
| 1423 |
+
ATOM 500 N N3 . U B 2 4 ? -3.631 4.233 -4.933 1.00 0.00 ? 21 U B N3 1
|
| 1424 |
+
ATOM 501 C C4 . U B 2 4 ? -3.073 2.979 -4.795 1.00 0.00 ? 21 U B C4 1
|
| 1425 |
+
ATOM 502 O O4 . U B 2 4 ? -2.937 2.261 -5.779 1.00 0.00 ? 21 U B O4 1
|
| 1426 |
+
ATOM 503 C C5 . U B 2 4 ? -2.697 2.630 -3.445 1.00 0.00 ? 21 U B C5 1
|
| 1427 |
+
ATOM 504 C C6 . U B 2 4 ? -2.904 3.507 -2.435 1.00 0.00 ? 21 U B C6 1
|
| 1428 |
+
ATOM 505 H "H5'" . U B 2 4 ? -2.047 4.689 2.065 1.00 0.00 ? 21 U B "H5'" 1
|
| 1429 |
+
ATOM 506 H "H5''" . U B 2 4 ? -3.651 4.203 2.651 1.00 0.00 ? 21 U B "H5''" 1
|
| 1430 |
+
ATOM 507 H "H4'" . U B 2 4 ? -3.723 6.229 1.204 1.00 0.00 ? 21 U B "H4'" 1
|
| 1431 |
+
ATOM 508 H "H3'" . U B 2 4 ? -5.103 3.722 0.091 1.00 0.00 ? 21 U B "H3'" 1
|
| 1432 |
+
ATOM 509 H "H2'" . U B 2 4 ? -5.794 5.095 -1.759 1.00 0.00 ? 21 U B "H2'" 1
|
| 1433 |
+
ATOM 510 H "HO2'" . U B 2 4 ? -5.847 6.954 0.181 1.00 0.00 ? 21 U B "HO2'" 1
|
| 1434 |
+
ATOM 511 H "H1'" . U B 2 4 ? -3.445 6.684 -1.844 1.00 0.00 ? 21 U B "H1'" 1
|
| 1435 |
+
ATOM 512 H H3 . U B 2 4 ? -3.900 4.512 -5.865 1.00 0.00 ? 21 U B H3 1
|
| 1436 |
+
ATOM 513 H H5 . U B 2 4 ? -2.239 1.664 -3.239 1.00 0.00 ? 21 U B H5 1
|
| 1437 |
+
ATOM 514 H H6 . U B 2 4 ? -2.615 3.227 -1.421 1.00 0.00 ? 21 U B H6 1
|
| 1438 |
+
ATOM 515 P P . A B 2 5 ? -7.570 4.852 0.991 1.00 0.00 ? 22 A B P 1
|
| 1439 |
+
ATOM 516 O OP1 . A B 2 5 ? -8.403 5.867 1.670 1.00 0.00 ? 22 A B OP1 1
|
| 1440 |
+
ATOM 517 O OP2 . A B 2 5 ? -7.697 3.427 1.368 1.00 0.00 ? 22 A B OP2 1
|
| 1441 |
+
ATOM 518 O "O5'" . A B 2 5 ? -7.798 4.985 -0.623 1.00 0.00 ? 22 A B "O5'" 1
|
| 1442 |
+
ATOM 519 C "C5'" . A B 2 5 ? -8.484 6.112 -1.239 1.00 0.00 ? 22 A B "C5'" 1
|
| 1443 |
+
ATOM 520 C "C4'" . A B 2 5 ? -9.982 5.833 -1.381 1.00 0.00 ? 22 A B "C4'" 1
|
| 1444 |
+
ATOM 521 O "O4'" . A B 2 5 ? -10.139 4.652 -2.182 1.00 0.00 ? 22 A B "O4'" 1
|
| 1445 |
+
ATOM 522 C "C3'" . A B 2 5 ? -10.592 5.488 -0.047 1.00 0.00 ? 22 A B "C3'" 1
|
| 1446 |
+
ATOM 523 O "O3'" . A B 2 5 ? -11.294 6.610 0.513 1.00 0.00 ? 22 A B "O3'" 1
|
| 1447 |
+
ATOM 524 C "C2'" . A B 2 5 ? -11.702 4.517 -0.441 1.00 0.00 ? 22 A B "C2'" 1
|
| 1448 |
+
ATOM 525 O "O2'" . A B 2 5 ? -12.852 5.231 -0.908 1.00 0.00 ? 22 A B "O2'" 1
|
| 1449 |
+
ATOM 526 C "C1'" . A B 2 5 ? -11.070 3.746 -1.579 1.00 0.00 ? 22 A B "C1'" 1
|
| 1450 |
+
ATOM 527 N N9 . A B 2 5 ? -10.343 2.567 -1.088 1.00 0.00 ? 22 A B N9 1
|
| 1451 |
+
ATOM 528 C C8 . A B 2 5 ? -8.995 2.386 -0.980 1.00 0.00 ? 22 A B C8 1
|
| 1452 |
+
ATOM 529 N N7 . A B 2 5 ? -8.658 1.222 -0.498 1.00 0.00 ? 22 A B N7 1
|
| 1453 |
+
ATOM 530 C C5 . A B 2 5 ? -9.880 0.596 -0.266 1.00 0.00 ? 22 A B C5 1
|
| 1454 |
+
ATOM 531 C C6 . A B 2 5 ? -10.223 -0.664 0.246 1.00 0.00 ? 22 A B C6 1
|
| 1455 |
+
ATOM 532 N N6 . A B 2 5 ? -9.331 -1.564 0.642 1.00 0.00 ? 22 A B N6 1
|
| 1456 |
+
ATOM 533 N N1 . A B 2 5 ? -11.526 -0.966 0.346 1.00 0.00 ? 22 A B N1 1
|
| 1457 |
+
ATOM 534 C C2 . A B 2 5 ? -12.427 -0.070 -0.038 1.00 0.00 ? 22 A B C2 1
|
| 1458 |
+
ATOM 535 N N3 . A B 2 5 ? -12.234 1.142 -0.537 1.00 0.00 ? 22 A B N3 1
|
| 1459 |
+
ATOM 536 C C4 . A B 2 5 ? -10.914 1.410 -0.622 1.00 0.00 ? 22 A B C4 1
|
| 1460 |
+
ATOM 537 H "H5'" . A B 2 5 ? -8.059 6.293 -2.226 1.00 0.00 ? 22 A B "H5'" 1
|
| 1461 |
+
ATOM 538 H "H5''" . A B 2 5 ? -8.342 6.999 -0.620 1.00 0.00 ? 22 A B "H5''" 1
|
| 1462 |
+
ATOM 539 H "H4'" . A B 2 5 ? -10.483 6.680 -1.851 1.00 0.00 ? 22 A B "H4'" 1
|
| 1463 |
+
ATOM 540 H "H3'" . A B 2 5 ? -9.888 5.053 0.652 1.00 0.00 ? 22 A B "H3'" 1
|
| 1464 |
+
ATOM 541 H "H2'" . A B 2 5 ? -11.955 3.854 0.382 1.00 0.00 ? 22 A B "H2'" 1
|
| 1465 |
+
ATOM 542 H "HO2'" . A B 2 5 ? -12.737 6.150 -0.654 1.00 0.00 ? 22 A B "HO2'" 1
|
| 1466 |
+
ATOM 543 H "H1'" . A B 2 5 ? -11.815 3.440 -2.314 1.00 0.00 ? 22 A B "H1'" 1
|
| 1467 |
+
ATOM 544 H H8 . A B 2 5 ? -8.275 3.162 -1.234 1.00 0.00 ? 22 A B H8 1
|
| 1468 |
+
ATOM 545 H H61 . A B 2 5 ? -9.642 -2.465 0.984 1.00 0.00 ? 22 A B H61 1
|
| 1469 |
+
ATOM 546 H H62 . A B 2 5 ? -8.346 -1.348 0.606 1.00 0.00 ? 22 A B H62 1
|
| 1470 |
+
ATOM 547 H H2 . A B 2 5 ? -13.469 -0.364 0.094 1.00 0.00 ? 22 A B H2 1
|
| 1471 |
+
ATOM 548 P P . C B 2 6 ? -11.891 6.544 2.014 1.00 0.00 ? 23 C B P 1
|
| 1472 |
+
ATOM 549 O OP1 . C B 2 6 ? -12.791 7.702 2.206 1.00 0.00 ? 23 C B OP1 1
|
| 1473 |
+
ATOM 550 O OP2 . C B 2 6 ? -10.772 6.313 2.956 1.00 0.00 ? 23 C B OP2 1
|
| 1474 |
+
ATOM 551 O "O5'" . C B 2 6 ? -12.794 5.198 1.977 1.00 0.00 ? 23 C B "O5'" 1
|
| 1475 |
+
ATOM 552 C "C5'" . C B 2 6 ? -14.159 5.140 1.480 1.00 0.00 ? 23 C B "C5'" 1
|
| 1476 |
+
ATOM 553 C "C4'" . C B 2 6 ? -14.875 3.999 2.200 1.00 0.00 ? 23 C B "C4'" 1
|
| 1477 |
+
ATOM 554 O "O4'" . C B 2 6 ? -14.315 2.759 1.747 1.00 0.00 ? 23 C B "O4'" 1
|
| 1478 |
+
ATOM 555 C "C3'" . C B 2 6 ? -14.531 4.107 3.660 1.00 0.00 ? 23 C B "C3'" 1
|
| 1479 |
+
ATOM 556 O "O3'" . C B 2 6 ? -15.634 4.610 4.427 1.00 0.00 ? 23 C B "O3'" 1
|
| 1480 |
+
ATOM 557 C "C2'" . C B 2 6 ? -14.414 2.647 4.104 1.00 0.00 ? 23 C B "C2'" 1
|
| 1481 |
+
ATOM 558 O "O2'" . C B 2 6 ? -15.690 2.139 4.505 1.00 0.00 ? 23 C B "O2'" 1
|
| 1482 |
+
ATOM 559 C "C1'" . C B 2 6 ? -13.929 1.931 2.848 1.00 0.00 ? 23 C B "C1'" 1
|
| 1483 |
+
ATOM 560 N N1 . C B 2 6 ? -12.463 1.753 2.841 1.00 0.00 ? 23 C B N1 1
|
| 1484 |
+
ATOM 561 C C2 . C B 2 6 ? -11.968 0.468 2.997 1.00 0.00 ? 23 C B C2 1
|
| 1485 |
+
ATOM 562 O O2 . C B 2 6 ? -12.734 -0.478 3.157 1.00 0.00 ? 23 C B O2 1
|
| 1486 |
+
ATOM 563 N N3 . C B 2 6 ? -10.622 0.281 2.984 1.00 0.00 ? 23 C B N3 1
|
| 1487 |
+
ATOM 564 C C4 . C B 2 6 ? -9.792 1.316 2.825 1.00 0.00 ? 23 C B C4 1
|
| 1488 |
+
ATOM 565 N N4 . C B 2 6 ? -8.488 1.063 2.806 1.00 0.00 ? 23 C B N4 1
|
| 1489 |
+
ATOM 566 C C5 . C B 2 6 ? -10.294 2.643 2.669 1.00 0.00 ? 23 C B C5 1
|
| 1490 |
+
ATOM 567 C C6 . C B 2 6 ? -11.628 2.814 2.684 1.00 0.00 ? 23 C B C6 1
|
| 1491 |
+
ATOM 568 H "H5'" . C B 2 6 ? -14.158 4.956 0.405 1.00 0.00 ? 23 C B "H5'" 1
|
| 1492 |
+
ATOM 569 H "H5''" . C B 2 6 ? -14.667 6.082 1.691 1.00 0.00 ? 23 C B "H5''" 1
|
| 1493 |
+
ATOM 570 H "H4'" . C B 2 6 ? -15.949 4.033 2.018 1.00 0.00 ? 23 C B "H4'" 1
|
| 1494 |
+
ATOM 571 H "H3'" . C B 2 6 ? -13.620 4.677 3.845 1.00 0.00 ? 23 C B "H3'" 1
|
| 1495 |
+
ATOM 572 H "H2'" . C B 2 6 ? -13.683 2.546 4.905 1.00 0.00 ? 23 C B "H2'" 1
|
| 1496 |
+
ATOM 573 H "HO2'" . C B 2 6 ? -16.273 2.895 4.613 1.00 0.00 ? 23 C B "HO2'" 1
|
| 1497 |
+
ATOM 574 H "H1'" . C B 2 6 ? -14.407 0.955 2.742 1.00 0.00 ? 23 C B "H1'" 1
|
| 1498 |
+
ATOM 575 H H41 . C B 2 6 ? -8.153 0.124 2.975 1.00 0.00 ? 23 C B H41 1
|
| 1499 |
+
ATOM 576 H H42 . C B 2 6 ? -7.832 1.808 2.617 1.00 0.00 ? 23 C B H42 1
|
| 1500 |
+
ATOM 577 H H5 . C B 2 6 ? -9.627 3.494 2.548 1.00 0.00 ? 23 C B H5 1
|
| 1501 |
+
ATOM 578 H H6 . C B 2 6 ? -12.046 3.814 2.590 1.00 0.00 ? 23 C B H6 1
|
| 1502 |
+
ATOM 579 P P . C B 2 7 ? -15.387 5.653 5.630 1.00 0.00 ? 24 C B P 1
|
| 1503 |
+
ATOM 580 O OP1 . C B 2 7 ? -16.703 6.089 6.146 1.00 0.00 ? 24 C B OP1 1
|
| 1504 |
+
ATOM 581 O OP2 . C B 2 7 ? -14.400 6.659 5.176 1.00 0.00 ? 24 C B OP2 1
|
| 1505 |
+
ATOM 582 O "O5'" . C B 2 7 ? -14.682 4.732 6.750 1.00 0.00 ? 24 C B "O5'" 1
|
| 1506 |
+
ATOM 583 C "C5'" . C B 2 7 ? -15.443 3.770 7.491 1.00 0.00 ? 24 C B "C5'" 1
|
| 1507 |
+
ATOM 584 C "C4'" . C B 2 7 ? -14.545 2.749 8.182 1.00 0.00 ? 24 C B "C4'" 1
|
| 1508 |
+
ATOM 585 O "O4'" . C B 2 7 ? -13.762 2.057 7.207 1.00 0.00 ? 24 C B "O4'" 1
|
| 1509 |
+
ATOM 586 C "C3'" . C B 2 7 ? -13.499 3.335 9.115 1.00 0.00 ? 24 C B "C3'" 1
|
| 1510 |
+
ATOM 587 O "O3'" . C B 2 7 ? -14.071 3.670 10.385 1.00 0.00 ? 24 C B "O3'" 1
|
| 1511 |
+
ATOM 588 C "C2'" . C B 2 7 ? -12.547 2.153 9.237 1.00 0.00 ? 24 C B "C2'" 1
|
| 1512 |
+
ATOM 589 O "O2'" . C B 2 7 ? -13.081 1.164 10.125 1.00 0.00 ? 24 C B "O2'" 1
|
| 1513 |
+
ATOM 590 C "C1'" . C B 2 7 ? -12.524 1.625 7.797 1.00 0.00 ? 24 C B "C1'" 1
|
| 1514 |
+
ATOM 591 N N1 . C B 2 7 ? -11.397 2.167 7.008 1.00 0.00 ? 24 C B N1 1
|
| 1515 |
+
ATOM 592 C C2 . C B 2 7 ? -10.213 1.446 7.007 1.00 0.00 ? 24 C B C2 1
|
| 1516 |
+
ATOM 593 O O2 . C B 2 7 ? -10.117 0.410 7.657 1.00 0.00 ? 24 C B O2 1
|
| 1517 |
+
ATOM 594 N N3 . C B 2 7 ? -9.164 1.912 6.283 1.00 0.00 ? 24 C B N3 1
|
| 1518 |
+
ATOM 595 C C4 . C B 2 7 ? -9.264 3.044 5.584 1.00 0.00 ? 24 C B C4 1
|
| 1519 |
+
ATOM 596 N N4 . C B 2 7 ? -8.198 3.432 4.890 1.00 0.00 ? 24 C B N4 1
|
| 1520 |
+
ATOM 597 C C5 . C B 2 7 ? -10.479 3.800 5.578 1.00 0.00 ? 24 C B C5 1
|
| 1521 |
+
ATOM 598 C C6 . C B 2 7 ? -11.515 3.329 6.299 1.00 0.00 ? 24 C B C6 1
|
| 1522 |
+
ATOM 599 H "H5'" . C B 2 7 ? -16.116 3.246 6.811 1.00 0.00 ? 24 C B "H5'" 1
|
| 1523 |
+
ATOM 600 H "H5''" . C B 2 7 ? -16.035 4.290 8.245 1.00 0.00 ? 24 C B "H5''" 1
|
| 1524 |
+
ATOM 601 H "H4'" . C B 2 7 ? -15.169 2.029 8.711 1.00 0.00 ? 24 C B "H4'" 1
|
| 1525 |
+
ATOM 602 H "H3'" . C B 2 7 ? -13.002 4.193 8.661 1.00 0.00 ? 24 C B "H3'" 1
|
| 1526 |
+
ATOM 603 H "HO3'" . C B 2 7 ? -14.793 4.281 10.220 1.00 0.00 ? 24 C B "HO3'" 1
|
| 1527 |
+
ATOM 604 H "H2'" . C B 2 7 ? -11.555 2.474 9.555 1.00 0.00 ? 24 C B "H2'" 1
|
| 1528 |
+
ATOM 605 H "HO2'" . C B 2 7 ? -13.454 1.630 10.878 1.00 0.00 ? 24 C B "HO2'" 1
|
| 1529 |
+
ATOM 606 H "H1'" . C B 2 7 ? -12.482 0.535 7.785 1.00 0.00 ? 24 C B "H1'" 1
|
| 1530 |
+
ATOM 607 H H41 . C B 2 7 ? -7.377 2.837 4.851 1.00 0.00 ? 24 C B H41 1
|
| 1531 |
+
ATOM 608 H H42 . C B 2 7 ? -8.205 4.316 4.403 1.00 0.00 ? 24 C B H42 1
|
| 1532 |
+
ATOM 609 H H5 . C B 2 7 ? -10.572 4.727 5.012 1.00 0.00 ? 24 C B H5 1
|
| 1533 |
+
ATOM 610 H H6 . C B 2 7 ? -12.457 3.878 6.314 1.00 0.00 ? 24 C B H6 1
|
| 1534 |
+
#
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