USER MOD reduce.3.24.130724 H: found=0, std=0, add=226, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 298 hydrogens (72 hets) HEADER DNA 03-APR-14 2MND TITLE RECOGNITION COMPLEX OF DNA D(CGACGCGTCG)2 WITH THIAZOTROPSIN B COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS THIAZOTROPSINS, DNA RECOGNITION, ISOTHERMAL TITRATION CALORIMETRY KEYWDS 2 NMR, SELF-ASSEMBLY, MINOR GROOVE BINDER, DNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR H.Y.ALNISS,M.-V.SALVIA,M.SADIKOV,I.GOLOVCHENKO,N.G.ANTHONY, AUTHOR 2 A.I.KHALAF,S.P.MACKAY,C.J.SUCKLING,J.A.PARKINSON REVDAT 2 17-SEP-14 2MND 1 JRNL REVDAT 1 30-JUL-14 2MND 0 JRNL AUTH H.Y.ALNISS,M.V.SALVIA,M.SADIKOV,I.GOLOVCHENKO,N.G.ANTHONY, JRNL AUTH 2 A.I.KHALAF,S.P.MACKAY,C.J.SUCKLING,J.A.PARKINSON JRNL TITL RECOGNITION OF THE DNA MINOR GROOVE BY THIAZOTROPSIN JRNL TITL 2 ANALOGUES. JRNL REF CHEMBIOCHEM V. 15 1978 2014 JRNL REFN ISSN 1439-4227 JRNL PMID 25045155 JRNL DOI 10.1002/CBIC.201402202 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, ... AND KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2MND COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-JUL-14. REMARK 100 THE RCSB ID CODE IS RCSB103822. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : 0.05 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2 MM THIAZOTROPSIN B, 2 MM 5'- REMARK 210 D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3', 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H COSY; REMARK 210 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN 2.1, SPARKY, SYBYL, REMARK 210 AMBER, MARDIGRAS REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DC A 1 C2 DC A 1 N3 0.091 REMARK 500 DC A 1 N3 DC A 1 C4 -0.062 REMARK 500 DC A 1 C4 DC A 1 C5 0.053 REMARK 500 DG A 2 N3 DG A 2 C4 0.091 REMARK 500 DG A 2 C4 DG A 2 C5 -0.048 REMARK 500 DG A 2 C5 DG A 2 N7 0.048 REMARK 500 DG A 2 N7 DG A 2 C8 -0.044 REMARK 500 DG A 2 C8 DG A 2 N9 -0.072 REMARK 500 DG A 2 N9 DG A 2 C4 -0.063 REMARK 500 DA A 3 C5 DA A 3 N7 -0.049 REMARK 500 DA A 3 N7 DA A 3 C8 -0.044 REMARK 500 DA A 3 C8 DA A 3 N9 -0.065 REMARK 500 DC A 4 C2 DC A 4 N3 0.090 REMARK 500 DC A 4 N3 DC A 4 C4 -0.063 REMARK 500 DC A 4 C4 DC A 4 C5 0.054 REMARK 500 DG A 5 N3 DG A 5 C4 0.092 REMARK 500 DG A 5 C4 DG A 5 C5 -0.048 REMARK 500 DG A 5 C5 DG A 5 N7 0.046 REMARK 500 DG A 5 N7 DG A 5 C8 -0.047 REMARK 500 DG A 5 C8 DG A 5 N9 -0.069 REMARK 500 DG A 5 N9 DG A 5 C4 -0.061 REMARK 500 DC A 6 C2 DC A 6 N3 0.090 REMARK 500 DC A 6 N3 DC A 6 C4 -0.063 REMARK 500 DC A 6 C4 DC A 6 C5 0.054 REMARK 500 DG A 7 N3 DG A 7 C4 0.093 REMARK 500 DG A 7 C4 DG A 7 C5 -0.047 REMARK 500 DG A 7 C5 DG A 7 N7 0.044 REMARK 500 DG A 7 N7 DG A 7 C8 -0.047 REMARK 500 DG A 7 C8 DG A 7 N9 -0.068 REMARK 500 DG A 7 N9 DG A 7 C4 -0.060 REMARK 500 DC A 9 C2 DC A 9 N3 0.091 REMARK 500 DC A 9 N3 DC A 9 C4 -0.062 REMARK 500 DC A 9 C4 DC A 9 C5 0.051 REMARK 500 DG A 10 N3 DG A 10 C4 0.090 REMARK 500 DG A 10 C4 DG A 10 C5 -0.049 REMARK 500 DG A 10 C5 DG A 10 N7 0.047 REMARK 500 DG A 10 N7 DG A 10 C8 -0.045 REMARK 500 DG A 10 C8 DG A 10 N9 -0.072 REMARK 500 DG A 10 N9 DG A 10 C4 -0.065 REMARK 500 DC B 11 C2 DC B 11 N3 0.090 REMARK 500 DC B 11 N3 DC B 11 C4 -0.064 REMARK 500 DC B 11 C4 DC B 11 C5 0.055 REMARK 500 DG B 12 N3 DG B 12 C4 0.092 REMARK 500 DG B 12 C4 DG B 12 C5 -0.049 REMARK 500 DG B 12 C5 DG B 12 N7 0.048 REMARK 500 DG B 12 N7 DG B 12 C8 -0.044 REMARK 500 DG B 12 C8 DG B 12 N9 -0.070 REMARK 500 DG B 12 N9 DG B 12 C4 -0.063 REMARK 500 DA B 13 C5 DA B 13 N7 -0.050 REMARK 500 DA B 13 N7 DA B 13 C8 -0.044 REMARK 500 REMARK 500 THIS ENTRY HAS 78 BOND DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC A 1 O4' - C1' - C2' ANGL. DEV. = -7.1 DEGREES REMARK 500 DC A 1 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DC A 1 N3 - C4 - C5 ANGL. DEV. = -5.4 DEGREES REMARK 500 DC A 1 C4 - C5 - C6 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 1 N1 - C2 - O2 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC A 1 N3 - C2 - O2 ANGL. DEV. = -5.2 DEGREES REMARK 500 DC A 1 N3 - C4 - N4 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 2 OP1 - P - OP2 ANGL. DEV. = -11.2 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 5.9 DEGREES REMARK 500 DG A 2 C2 - N3 - C4 ANGL. DEV. = 9.1 DEGREES REMARK 500 DG A 2 N3 - C4 - C5 ANGL. DEV. = -9.6 DEGREES REMARK 500 DG A 2 C5 - C6 - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DG A 2 C4 - C5 - N7 ANGL. DEV. = -9.7 DEGREES REMARK 500 DG A 2 C5 - N7 - C8 ANGL. DEV. = 5.0 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = -3.1 DEGREES REMARK 500 DG A 2 N9 - C4 - C5 ANGL. DEV. = 6.2 DEGREES REMARK 500 DG A 2 C6 - C5 - N7 ANGL. DEV. = 8.1 DEGREES REMARK 500 DG A 2 N1 - C6 - O6 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG A 2 C5 - C6 - O6 ANGL. DEV. = -8.4 DEGREES REMARK 500 DA A 3 OP1 - P - OP2 ANGL. DEV. = -9.8 DEGREES REMARK 500 DA A 3 N1 - C2 - N3 ANGL. DEV. = -6.9 DEGREES REMARK 500 DA A 3 C2 - N3 - C4 ANGL. DEV. = 7.4 DEGREES REMARK 500 DA A 3 N3 - C4 - C5 ANGL. DEV. = -7.1 DEGREES REMARK 500 DA A 3 C4 - C5 - C6 ANGL. DEV. = 5.6 DEGREES REMARK 500 DA A 3 C4 - C5 - N7 ANGL. DEV. = -5.1 DEGREES REMARK 500 DA A 3 C5 - N7 - C8 ANGL. DEV. = 5.8 DEGREES REMARK 500 DA A 3 N3 - C4 - N9 ANGL. DEV. = 6.6 DEGREES REMARK 500 DA A 3 N1 - C6 - N6 ANGL. DEV. = 4.4 DEGREES REMARK 500 DC A 4 OP1 - P - OP2 ANGL. DEV. = -10.1 DEGREES REMARK 500 DC A 4 N3 - C4 - C5 ANGL. DEV. = -5.3 DEGREES REMARK 500 DC A 4 C4 - C5 - C6 ANGL. DEV. = 3.4 DEGREES REMARK 500 DC A 4 N1 - C2 - O2 ANGL. DEV. = 4.0 DEGREES REMARK 500 DC A 4 N3 - C2 - O2 ANGL. DEV. = -5.2 DEGREES REMARK 500 DC A 4 N3 - C4 - N4 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG A 5 OP1 - P - OP2 ANGL. DEV. = -9.8 DEGREES REMARK 500 DG A 5 C2 - N3 - C4 ANGL. DEV. = 8.8 DEGREES REMARK 500 DG A 5 N3 - C4 - C5 ANGL. DEV. = -10.0 DEGREES REMARK 500 DG A 5 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DG A 5 C4 - C5 - N7 ANGL. DEV. = -9.3 DEGREES REMARK 500 DG A 5 C5 - N7 - C8 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG A 5 N9 - C4 - C5 ANGL. DEV. = 6.0 DEGREES REMARK 500 DG A 5 N3 - C4 - N9 ANGL. DEV. = 4.1 DEGREES REMARK 500 DG A 5 C6 - C5 - N7 ANGL. DEV. = 6.9 DEGREES REMARK 500 DG A 5 N1 - C6 - O6 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG A 5 C5 - C6 - O6 ANGL. DEV. = -8.4 DEGREES REMARK 500 DC A 4 C3' - O3' - P ANGL. DEV. = 7.9 DEGREES REMARK 500 DC A 6 OP1 - P - OP2 ANGL. DEV. = -10.0 DEGREES REMARK 500 DC A 6 N3 - C4 - C5 ANGL. DEV. = -5.2 DEGREES REMARK 500 DC A 6 C4 - C5 - C6 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC A 6 N1 - C2 - O2 ANGL. DEV. = 4.1 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 177 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC A 4 0.07 SIDE CHAIN REMARK 500 DA B 13 0.07 SIDE CHAIN REMARK 500 DG B 15 0.06 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3BF A 101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3BF B 101 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19888 RELATED DB: BMRB REMARK 900 RELATED ID: 2MNE RELATED DB: PDB REMARK 900 RELATED ID: 2MNF RELATED DB: PDB DBREF 2MND A 1 10 PDB 2MND 2MND 1 10 DBREF 2MND B 11 20 PDB 2MND 2MND 11 20 SEQRES 1 A 10 DC DG DA DC DG DC DG DT DC DG SEQRES 1 B 10 DC DG DA DC DG DC DG DT DC DG HET 3BF A 101 75 HET 3BF B 101 75 HETNAM 3BF THIAZOTROPSIN B HETSYN 3BF 3-({[2-({[4-({[4-(ACETYLAMINO)-1-METHYL-1H-IMIDAZOL-2- HETSYN 2 3BF YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2- HETSYN 3 3BF YL]CARBONYL}AMINO)-5-(PROPAN-2-YL)-1,3-THIAZOL-4- HETSYN 4 3BF YL]CARBONYL}AMINO)-N,N-DIMETHYLPROPAN-1-AMINIUM FORMUL 3 3BF 2(C25 H36 N9 O4 S 1+) SITE *** AC1 6 DG A 5 DC A 6 DG A 7 DT A 8 SITE *** AC1 6 DC A 9 3BF B 101 SITE *** AC2 8 DC A 4 3BF A 101 DC B 14 DG B 15 SITE *** AC2 8 DC B 16 DG B 17 DT B 18 DC B 19 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.353 (180deg=-0.353) USER MOD Single : A 10 DG O3' : rot 180:sc= 0 USER MOD Single : B 11 DC O5' : rot 27:sc= 0.0217 USER MOD Single : B 18 DT C7 :methyl 150:sc=-0.000173 (180deg=-0.000173) USER MOD Single : B 20 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 18.480 5.986 -1.515 1.00 0.00 O ATOM 2 C5' DC A 1 18.271 5.864 -0.099 1.00 0.00 C ATOM 3 C4' DC A 1 16.802 5.481 0.203 1.00 0.00 C ATOM 4 O4' DC A 1 15.940 6.498 -0.335 1.00 0.00 O ATOM 5 C3' DC A 1 16.343 4.170 -0.491 1.00 0.00 C ATOM 6 O3' DC A 1 15.843 3.231 0.477 1.00 0.00 O ATOM 7 C2' DC A 1 15.183 4.644 -1.390 1.00 0.00 C ATOM 8 C1' DC A 1 14.674 5.901 -0.652 1.00 0.00 C ATOM 9 N1 DC A 1 13.824 6.811 -1.424 1.00 0.00 N ATOM 10 C2 DC A 1 13.776 8.121 -1.099 1.00 0.00 C ATOM 11 O2 DC A 1 14.405 8.594 -0.166 1.00 0.00 O ATOM 12 N3 DC A 1 12.959 9.036 -1.860 1.00 0.00 N ATOM 13 C4 DC A 1 12.251 8.649 -2.844 1.00 0.00 C ATOM 14 N4 DC A 1 11.531 9.472 -3.555 1.00 0.00 N ATOM 15 C5 DC A 1 12.280 7.203 -3.149 1.00 0.00 C ATOM 16 C6 DC A 1 13.046 6.360 -2.442 1.00 0.00 C ATOM 0 H5' DC A 1 18.516 6.805 0.393 1.00 0.00 H new ATOM 0 H5'' DC A 1 18.941 5.108 0.309 1.00 0.00 H new ATOM 0 H4' DC A 1 16.745 5.363 1.285 1.00 0.00 H new ATOM 0 H3' DC A 1 17.149 3.670 -1.029 1.00 0.00 H new ATOM 0 H2' DC A 1 15.522 4.877 -2.400 1.00 0.00 H new ATOM 0 H2'' DC A 1 14.406 3.886 -1.482 1.00 0.00 H new ATOM 0 HO5' DC A 1 19.413 6.230 -1.688 1.00 0.00 H new ATOM 0 H1' DC A 1 14.006 5.665 0.177 1.00 0.00 H new ATOM 0 H41 DC A 1 10.977 9.121 -4.336 1.00 0.00 H new ATOM 0 H42 DC A 1 11.522 10.467 -3.330 1.00 0.00 H new ATOM 0 H5 DC A 1 11.673 6.819 -3.956 1.00 0.00 H new ATOM 0 H6 DC A 1 13.044 5.308 -2.685 1.00 0.00 H new ATOM 29 P DG A 2 16.811 2.293 1.343 1.00 0.00 P ATOM 30 OP1 DG A 2 18.197 2.840 1.328 1.00 0.00 O ATOM 31 OP2 DG A 2 16.834 0.940 0.722 1.00 0.00 O ATOM 32 O5' DG A 2 16.361 2.154 2.873 1.00 0.00 O ATOM 33 C5' DG A 2 16.177 3.231 3.799 1.00 0.00 C ATOM 34 C4' DG A 2 14.723 3.761 3.815 1.00 0.00 C ATOM 35 O4' DG A 2 14.200 4.172 2.543 1.00 0.00 O ATOM 36 C3' DG A 2 13.697 2.690 4.257 1.00 0.00 C ATOM 37 O3' DG A 2 13.627 2.636 5.690 1.00 0.00 O ATOM 38 C2' DG A 2 12.382 3.145 3.571 1.00 0.00 C ATOM 39 C1' DG A 2 12.791 4.382 2.742 1.00 0.00 C ATOM 40 N9 DG A 2 12.027 4.509 1.508 1.00 0.00 N ATOM 41 C8 DG A 2 12.228 3.843 0.408 1.00 0.00 C ATOM 42 N7 DG A 2 11.425 4.230 -0.484 1.00 0.00 N ATOM 43 C5 DG A 2 10.581 5.261 0.052 1.00 0.00 C ATOM 44 C6 DG A 2 9.488 6.127 -0.396 1.00 0.00 C ATOM 45 O6 DG A 2 9.099 6.077 -1.553 1.00 0.00 O ATOM 46 N1 DG A 2 8.971 6.955 0.551 1.00 0.00 N ATOM 47 C2 DG A 2 9.438 7.004 1.838 1.00 0.00 C ATOM 48 N2 DG A 2 8.863 7.822 2.680 1.00 0.00 N ATOM 49 N3 DG A 2 10.413 6.269 2.212 1.00 0.00 N ATOM 50 C4 DG A 2 11.034 5.341 1.301 1.00 0.00 C ATOM 0 H5' DG A 2 16.854 4.046 3.542 1.00 0.00 H new ATOM 0 H5'' DG A 2 16.448 2.895 4.800 1.00 0.00 H new ATOM 0 H4' DG A 2 14.822 4.602 4.502 1.00 0.00 H new ATOM 0 H3' DG A 2 13.948 1.670 3.966 1.00 0.00 H new ATOM 0 H2' DG A 2 11.972 2.359 2.937 1.00 0.00 H new ATOM 0 H2'' DG A 2 11.616 3.394 4.305 1.00 0.00 H new ATOM 0 H1' DG A 2 12.581 5.330 3.237 1.00 0.00 H new ATOM 0 H8 DG A 2 12.973 3.072 0.278 1.00 0.00 H new ATOM 0 H1 DG A 2 8.199 7.569 0.291 1.00 0.00 H new ATOM 0 H21 DG A 2 9.193 7.877 3.644 1.00 0.00 H new ATOM 0 H22 DG A 2 8.085 8.406 2.373 1.00 0.00 H new ATOM 62 P DA A 3 12.614 1.730 6.538 1.00 0.00 P ATOM 63 OP1 DA A 3 13.112 1.593 7.935 1.00 0.00 O ATOM 64 OP2 DA A 3 12.499 0.384 5.910 1.00 0.00 O ATOM 65 O5' DA A 3 11.182 2.444 6.550 1.00 0.00 O ATOM 66 C5' DA A 3 10.891 3.661 7.251 1.00 0.00 C ATOM 67 C4' DA A 3 9.525 4.199 6.765 1.00 0.00 C ATOM 68 O4' DA A 3 9.559 4.325 5.340 1.00 0.00 O ATOM 69 C3' DA A 3 8.347 3.224 6.993 1.00 0.00 C ATOM 70 O3' DA A 3 7.721 3.453 8.266 1.00 0.00 O ATOM 71 C2' DA A 3 7.416 3.508 5.786 1.00 0.00 C ATOM 72 C1' DA A 3 8.214 4.474 4.880 1.00 0.00 C ATOM 73 N9 DA A 3 8.123 4.109 3.475 1.00 0.00 N ATOM 74 C8 DA A 3 8.754 3.124 2.890 1.00 0.00 C ATOM 75 N7 DA A 3 8.503 3.087 1.649 1.00 0.00 N ATOM 76 C5 DA A 3 7.664 4.080 1.329 1.00 0.00 C ATOM 77 C6 DA A 3 7.103 4.465 0.116 1.00 0.00 C ATOM 78 N6 DA A 3 7.386 3.822 -1.039 1.00 0.00 N ATOM 79 N1 DA A 3 6.266 5.525 0.182 1.00 0.00 N ATOM 80 C2 DA A 3 6.031 6.188 1.341 1.00 0.00 C ATOM 81 N3 DA A 3 6.576 5.805 2.520 1.00 0.00 N ATOM 82 C4 DA A 3 7.407 4.747 2.517 1.00 0.00 C ATOM 0 H5' DA A 3 11.673 4.398 7.070 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.866 3.481 8.326 1.00 0.00 H new ATOM 0 H4' DA A 3 9.374 5.125 7.320 1.00 0.00 H new ATOM 0 H3' DA A 3 8.642 2.176 7.036 1.00 0.00 H new ATOM 0 H2' DA A 3 7.165 2.589 5.257 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.477 3.956 6.110 1.00 0.00 H new ATOM 0 H1' DA A 3 7.837 5.495 4.941 1.00 0.00 H new ATOM 0 H8 DA A 3 9.406 2.430 3.400 1.00 0.00 H new ATOM 0 H61 DA A 3 6.958 4.130 -1.912 1.00 0.00 H new ATOM 0 H62 DA A 3 8.028 3.029 -1.037 1.00 0.00 H new ATOM 0 H2 DA A 3 5.385 7.054 1.323 1.00 0.00 H new ATOM 94 P DC A 4 6.419 2.682 8.794 1.00 0.00 P ATOM 95 OP1 DC A 4 6.284 2.875 10.265 1.00 0.00 O ATOM 96 OP2 DC A 4 6.548 1.228 8.494 1.00 0.00 O ATOM 97 O5' DC A 4 5.118 3.260 8.061 1.00 0.00 O ATOM 98 C5' DC A 4 4.550 4.559 8.284 1.00 0.00 C ATOM 99 C4' DC A 4 3.477 4.821 7.201 1.00 0.00 C ATOM 100 O4' DC A 4 4.066 4.615 5.918 1.00 0.00 O ATOM 101 C3' DC A 4 2.312 3.806 7.216 1.00 0.00 C ATOM 102 O3' DC A 4 1.283 4.307 8.080 1.00 0.00 O ATOM 103 C2' DC A 4 1.907 3.688 5.721 1.00 0.00 C ATOM 104 C1' DC A 4 3.023 4.438 4.954 1.00 0.00 C ATOM 105 N1 DC A 4 3.593 3.700 3.825 1.00 0.00 N ATOM 106 C2 DC A 4 3.241 3.986 2.554 1.00 0.00 C ATOM 107 O2 DC A 4 2.350 4.770 2.273 1.00 0.00 O ATOM 108 N3 DC A 4 3.926 3.359 1.449 1.00 0.00 N ATOM 109 C4 DC A 4 4.848 2.501 1.629 1.00 0.00 C ATOM 110 N4 DC A 4 5.520 1.973 0.644 1.00 0.00 N ATOM 111 C5 DC A 4 5.133 2.118 3.029 1.00 0.00 C ATOM 112 C6 DC A 4 4.504 2.721 4.048 1.00 0.00 C ATOM 0 H5' DC A 4 5.326 5.324 8.241 1.00 0.00 H new ATOM 0 H5'' DC A 4 4.105 4.612 9.278 1.00 0.00 H new ATOM 0 H4' DC A 4 3.111 5.829 7.398 1.00 0.00 H new ATOM 0 H3' DC A 4 2.550 2.818 7.609 1.00 0.00 H new ATOM 0 H2' DC A 4 1.843 2.646 5.409 1.00 0.00 H new ATOM 0 H2'' DC A 4 0.930 4.136 5.538 1.00 0.00 H new ATOM 0 H1' DC A 4 2.603 5.352 4.533 1.00 0.00 H new ATOM 0 H41 DC A 4 6.251 1.288 0.835 1.00 0.00 H new ATOM 0 H42 DC A 4 5.314 2.245 -0.317 1.00 0.00 H new ATOM 0 H5 DC A 4 5.857 1.343 3.233 1.00 0.00 H new ATOM 0 H6 DC A 4 4.726 2.422 5.062 1.00 0.00 H new ATOM 124 P DG A 5 -0.176 3.696 8.317 1.00 0.00 P ATOM 125 OP1 DG A 5 -0.698 4.172 9.628 1.00 0.00 O ATOM 126 OP2 DG A 5 -0.114 2.207 8.310 1.00 0.00 O ATOM 127 O5' DG A 5 -1.143 4.215 7.153 1.00 0.00 O ATOM 128 C5' DG A 5 -1.370 5.596 6.856 1.00 0.00 C ATOM 129 C4' DG A 5 -2.304 5.727 5.628 1.00 0.00 C ATOM 130 O4' DG A 5 -1.706 5.015 4.530 1.00 0.00 O ATOM 131 C3' DG A 5 -3.690 5.079 5.856 1.00 0.00 C ATOM 132 O3' DG A 5 -4.652 5.825 5.094 1.00 0.00 O ATOM 133 C2' DG A 5 -3.492 3.651 5.306 1.00 0.00 C ATOM 134 C1' DG A 5 -2.541 3.918 4.115 1.00 0.00 C ATOM 135 N9 DG A 5 -1.605 2.861 3.740 1.00 0.00 N ATOM 136 C8 DG A 5 -0.864 2.169 4.561 1.00 0.00 C ATOM 137 N7 DG A 5 -0.104 1.398 3.920 1.00 0.00 N ATOM 138 C5 DG A 5 -0.336 1.572 2.516 1.00 0.00 C ATOM 139 C6 DG A 5 0.205 1.047 1.267 1.00 0.00 C ATOM 140 O6 DG A 5 1.140 0.263 1.284 1.00 0.00 O ATOM 141 N1 DG A 5 -0.393 1.512 0.142 1.00 0.00 N ATOM 142 C2 DG A 5 -1.427 2.410 0.156 1.00 0.00 C ATOM 143 N2 DG A 5 -1.960 2.739 -0.991 1.00 0.00 N ATOM 144 N3 DG A 5 -1.861 2.902 1.254 1.00 0.00 N ATOM 145 C4 DG A 5 -1.308 2.481 2.518 1.00 0.00 C ATOM 0 H5' DG A 5 -0.421 6.094 6.656 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.816 6.093 7.717 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.435 6.792 5.439 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.043 5.066 6.887 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.049 2.983 6.045 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.431 3.198 4.989 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.193 4.062 3.253 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.898 2.247 5.638 1.00 0.00 H new ATOM 0 H1 DG A 5 -0.056 1.176 -0.760 1.00 0.00 H new ATOM 0 H21 DG A 5 -2.732 3.405 -1.022 1.00 0.00 H new ATOM 0 H22 DG A 5 -1.604 2.330 -1.855 1.00 0.00 H new ATOM 157 P DC A 6 -6.210 5.485 4.961 1.00 0.00 P ATOM 158 OP1 DC A 6 -7.006 6.745 4.974 1.00 0.00 O ATOM 159 OP2 DC A 6 -6.639 4.610 6.089 1.00 0.00 O ATOM 160 O5' DC A 6 -6.430 4.724 3.574 1.00 0.00 O ATOM 161 C5' DC A 6 -6.531 5.369 2.298 1.00 0.00 C ATOM 162 C4' DC A 6 -6.496 4.269 1.215 1.00 0.00 C ATOM 163 O4' DC A 6 -5.302 3.506 1.402 1.00 0.00 O ATOM 164 C3' DC A 6 -7.620 3.217 1.349 1.00 0.00 C ATOM 165 O3' DC A 6 -8.761 3.619 0.577 1.00 0.00 O ATOM 166 C2' DC A 6 -6.946 1.914 0.847 1.00 0.00 C ATOM 167 C1' DC A 6 -5.448 2.269 0.699 1.00 0.00 C ATOM 168 N1 DC A 6 -4.552 1.295 1.318 1.00 0.00 N ATOM 169 C2 DC A 6 -3.759 0.496 0.575 1.00 0.00 C ATOM 170 O2 DC A 6 -3.787 0.481 -0.645 1.00 0.00 O ATOM 171 N3 DC A 6 -2.813 -0.386 1.215 1.00 0.00 N ATOM 172 C4 DC A 6 -2.704 -0.453 2.481 1.00 0.00 C ATOM 173 N4 DC A 6 -1.817 -1.207 3.069 1.00 0.00 N ATOM 174 C5 DC A 6 -3.636 0.378 3.274 1.00 0.00 C ATOM 175 C6 DC A 6 -4.504 1.199 2.668 1.00 0.00 C ATOM 0 H5' DC A 6 -5.709 6.071 2.158 1.00 0.00 H new ATOM 0 H5'' DC A 6 -7.455 5.943 2.231 1.00 0.00 H new ATOM 0 H4' DC A 6 -6.585 4.790 0.262 1.00 0.00 H new ATOM 0 H3' DC A 6 -8.011 3.089 2.358 1.00 0.00 H new ATOM 0 H2' DC A 6 -7.090 1.097 1.555 1.00 0.00 H new ATOM 0 H2'' DC A 6 -7.371 1.591 -0.103 1.00 0.00 H new ATOM 0 H1' DC A 6 -5.183 2.302 -0.358 1.00 0.00 H new ATOM 0 H41 DC A 6 -1.763 -1.232 4.087 1.00 0.00 H new ATOM 0 H42 DC A 6 -1.177 -1.772 2.511 1.00 0.00 H new ATOM 0 H5 DC A 6 -3.617 0.322 4.352 1.00 0.00 H new ATOM 0 H6 DC A 6 -5.177 1.795 3.267 1.00 0.00 H new ATOM 187 P DG A 7 -10.063 2.733 0.285 1.00 0.00 P ATOM 188 OP1 DG A 7 -11.193 3.626 -0.095 1.00 0.00 O ATOM 189 OP2 DG A 7 -10.427 1.945 1.496 1.00 0.00 O ATOM 190 O5' DG A 7 -9.740 1.745 -0.932 1.00 0.00 O ATOM 191 C5' DG A 7 -9.309 2.214 -2.216 1.00 0.00 C ATOM 192 C4' DG A 7 -8.907 1.002 -3.090 1.00 0.00 C ATOM 193 O4' DG A 7 -7.873 0.301 -2.377 1.00 0.00 O ATOM 194 C3' DG A 7 -10.078 0.010 -3.296 1.00 0.00 C ATOM 195 O3' DG A 7 -10.073 -0.443 -4.657 1.00 0.00 O ATOM 196 C2' DG A 7 -9.759 -1.120 -2.296 1.00 0.00 C ATOM 197 C1' DG A 7 -8.213 -1.085 -2.222 1.00 0.00 C ATOM 198 N9 DG A 7 -7.644 -1.495 -0.939 1.00 0.00 N ATOM 199 C8 DG A 7 -8.039 -1.070 0.231 1.00 0.00 C ATOM 200 N7 DG A 7 -7.323 -1.561 1.142 1.00 0.00 N ATOM 201 C5 DG A 7 -6.331 -2.409 0.552 1.00 0.00 C ATOM 202 C6 DG A 7 -5.218 -3.229 1.015 1.00 0.00 C ATOM 203 O6 DG A 7 -4.943 -3.271 2.203 1.00 0.00 O ATOM 204 N1 DG A 7 -4.549 -3.898 0.043 1.00 0.00 N ATOM 205 C2 DG A 7 -4.867 -3.796 -1.285 1.00 0.00 C ATOM 206 N2 DG A 7 -4.146 -4.482 -2.131 1.00 0.00 N ATOM 207 N3 DG A 7 -5.831 -3.054 -1.685 1.00 0.00 N ATOM 208 C4 DG A 7 -6.628 -2.307 -0.742 1.00 0.00 C ATOM 0 H5' DG A 7 -8.464 2.893 -2.104 1.00 0.00 H new ATOM 0 H5'' DG A 7 -10.108 2.777 -2.698 1.00 0.00 H new ATOM 0 H4' DG A 7 -8.593 1.366 -4.069 1.00 0.00 H new ATOM 0 H3' DG A 7 -11.070 0.428 -3.124 1.00 0.00 H new ATOM 0 H2' DG A 7 -10.215 -0.939 -1.323 1.00 0.00 H new ATOM 0 H2'' DG A 7 -10.126 -2.085 -2.646 1.00 0.00 H new ATOM 0 H1' DG A 7 -7.826 -1.774 -2.973 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.864 -0.392 0.394 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.774 -4.504 0.313 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.349 -4.435 -3.130 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.380 -5.065 -1.793 1.00 0.00 H new ATOM 220 P DT A 8 -11.048 -1.565 -5.249 1.00 0.00 P ATOM 221 OP1 DT A 8 -11.384 -1.243 -6.664 1.00 0.00 O ATOM 222 OP2 DT A 8 -12.297 -1.657 -4.440 1.00 0.00 O ATOM 223 O5' DT A 8 -10.245 -2.946 -5.185 1.00 0.00 O ATOM 224 C5' DT A 8 -9.040 -3.085 -5.945 1.00 0.00 C ATOM 225 C4' DT A 8 -8.354 -4.414 -5.575 1.00 0.00 C ATOM 226 O4' DT A 8 -7.996 -4.367 -4.185 1.00 0.00 O ATOM 227 C3' DT A 8 -9.249 -5.671 -5.747 1.00 0.00 C ATOM 228 O3' DT A 8 -8.596 -6.560 -6.673 1.00 0.00 O ATOM 229 C2' DT A 8 -9.315 -6.226 -4.301 1.00 0.00 C ATOM 230 C1' DT A 8 -7.989 -5.709 -3.687 1.00 0.00 C ATOM 231 N1 DT A 8 -7.898 -5.711 -2.220 1.00 0.00 N ATOM 232 C2 DT A 8 -6.979 -6.494 -1.594 1.00 0.00 C ATOM 233 O2 DT A 8 -6.245 -7.245 -2.217 1.00 0.00 O ATOM 234 N3 DT A 8 -6.872 -6.441 -0.247 1.00 0.00 N ATOM 235 C4 DT A 8 -7.661 -5.651 0.505 1.00 0.00 C ATOM 236 O4 DT A 8 -7.560 -5.592 1.720 1.00 0.00 O ATOM 237 C5 DT A 8 -8.684 -4.844 -0.178 1.00 0.00 C ATOM 238 C7 DT A 8 -9.629 -3.978 0.621 1.00 0.00 C ATOM 239 C6 DT A 8 -8.736 -4.912 -1.514 1.00 0.00 C ATOM 0 H5' DT A 8 -8.371 -2.249 -5.743 1.00 0.00 H new ATOM 0 H5'' DT A 8 -9.265 -3.063 -7.011 1.00 0.00 H new ATOM 0 H4' DT A 8 -7.506 -4.508 -6.253 1.00 0.00 H new ATOM 0 H3' DT A 8 -10.247 -5.504 -6.152 1.00 0.00 H new ATOM 0 H2' DT A 8 -10.186 -5.853 -3.762 1.00 0.00 H new ATOM 0 H2'' DT A 8 -9.373 -7.314 -4.286 1.00 0.00 H new ATOM 0 H1' DT A 8 -7.146 -6.345 -3.955 1.00 0.00 H new ATOM 0 H3 DT A 8 -6.170 -7.019 0.215 1.00 0.00 H new ATOM 0 H71 DT A 8 -9.917 -3.110 0.027 1.00 0.00 H new ATOM 0 H72 DT A 8 -10.518 -4.553 0.880 1.00 0.00 H new ATOM 0 H73 DT A 8 -9.134 -3.645 1.533 1.00 0.00 H new ATOM 0 H6 DT A 8 -9.464 -4.315 -2.043 1.00 0.00 H new ATOM 252 P DC A 9 -9.083 -7.947 -7.316 1.00 0.00 P ATOM 253 OP1 DC A 9 -9.124 -7.811 -8.799 1.00 0.00 O ATOM 254 OP2 DC A 9 -10.443 -8.285 -6.809 1.00 0.00 O ATOM 255 O5' DC A 9 -8.048 -9.107 -6.920 1.00 0.00 O ATOM 256 C5' DC A 9 -7.830 -9.310 -5.521 1.00 0.00 C ATOM 257 C4' DC A 9 -6.681 -10.282 -5.169 1.00 0.00 C ATOM 258 O4' DC A 9 -6.285 -9.950 -3.827 1.00 0.00 O ATOM 259 C3' DC A 9 -7.087 -11.770 -5.123 1.00 0.00 C ATOM 260 O3' DC A 9 -5.890 -12.539 -5.314 1.00 0.00 O ATOM 261 C2' DC A 9 -7.632 -11.911 -3.685 1.00 0.00 C ATOM 262 C1' DC A 9 -6.691 -10.966 -2.899 1.00 0.00 C ATOM 263 N1 DC A 9 -7.239 -10.292 -1.714 1.00 0.00 N ATOM 264 C2 DC A 9 -6.635 -10.378 -0.505 1.00 0.00 C ATOM 265 O2 DC A 9 -5.622 -11.027 -0.304 1.00 0.00 O ATOM 266 N3 DC A 9 -7.173 -9.676 0.636 1.00 0.00 N ATOM 267 C4 DC A 9 -8.213 -8.947 0.553 1.00 0.00 C ATOM 268 N4 DC A 9 -8.708 -8.301 1.572 1.00 0.00 N ATOM 269 C5 DC A 9 -8.846 -8.847 -0.777 1.00 0.00 C ATOM 270 C6 DC A 9 -8.340 -9.507 -1.826 1.00 0.00 C ATOM 0 H5' DC A 9 -8.752 -9.686 -5.077 1.00 0.00 H new ATOM 0 H5'' DC A 9 -7.623 -8.345 -5.058 1.00 0.00 H new ATOM 0 H4' DC A 9 -5.916 -10.173 -5.938 1.00 0.00 H new ATOM 0 H3' DC A 9 -7.810 -12.098 -5.870 1.00 0.00 H new ATOM 0 H2' DC A 9 -8.675 -11.604 -3.611 1.00 0.00 H new ATOM 0 H2'' DC A 9 -7.575 -12.938 -3.325 1.00 0.00 H new ATOM 0 H1' DC A 9 -5.897 -11.599 -2.503 1.00 0.00 H new ATOM 0 H41 DC A 9 -9.544 -7.729 1.456 1.00 0.00 H new ATOM 0 H42 DC A 9 -8.259 -8.368 2.485 1.00 0.00 H new ATOM 0 H5 DC A 9 -9.727 -8.235 -0.905 1.00 0.00 H new ATOM 0 H6 DC A 9 -8.821 -9.412 -2.788 1.00 0.00 H new ATOM 282 P DG A 10 -5.733 -14.123 -5.151 1.00 0.00 P ATOM 283 OP1 DG A 10 -4.721 -14.627 -6.120 1.00 0.00 O ATOM 284 OP2 DG A 10 -7.040 -14.795 -5.398 1.00 0.00 O ATOM 285 O5' DG A 10 -5.237 -14.413 -3.657 1.00 0.00 O ATOM 286 C5' DG A 10 -3.920 -14.060 -3.216 1.00 0.00 C ATOM 287 C4' DG A 10 -3.808 -14.324 -1.698 1.00 0.00 C ATOM 288 O4' DG A 10 -4.798 -13.533 -1.027 1.00 0.00 O ATOM 289 C3' DG A 10 -4.128 -15.791 -1.291 1.00 0.00 C ATOM 290 O3' DG A 10 -2.990 -16.447 -0.703 1.00 0.00 O ATOM 291 C2' DG A 10 -5.295 -15.645 -0.282 1.00 0.00 C ATOM 292 C1' DG A 10 -5.126 -14.190 0.201 1.00 0.00 C ATOM 293 N9 DG A 10 -6.346 -13.632 0.766 1.00 0.00 N ATOM 294 C8 DG A 10 -7.417 -13.307 0.100 1.00 0.00 C ATOM 295 N7 DG A 10 -8.285 -12.831 0.879 1.00 0.00 N ATOM 296 C5 DG A 10 -7.763 -12.824 2.216 1.00 0.00 C ATOM 297 C6 DG A 10 -8.203 -12.432 3.554 1.00 0.00 C ATOM 298 O6 DG A 10 -9.314 -11.954 3.719 1.00 0.00 O ATOM 299 N1 DG A 10 -7.299 -12.642 4.547 1.00 0.00 N ATOM 300 C2 DG A 10 -6.055 -13.172 4.332 1.00 0.00 C ATOM 301 N2 DG A 10 -5.258 -13.328 5.356 1.00 0.00 N ATOM 302 N3 DG A 10 -5.678 -13.509 3.159 1.00 0.00 N ATOM 303 C4 DG A 10 -6.552 -13.341 2.027 1.00 0.00 C ATOM 0 H5' DG A 10 -3.720 -13.010 -3.431 1.00 0.00 H new ATOM 0 H5'' DG A 10 -3.174 -14.643 -3.755 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.778 -14.090 -1.429 1.00 0.00 H new ATOM 0 H3' DG A 10 -4.389 -16.414 -2.146 1.00 0.00 H new ATOM 0 H2' DG A 10 -6.264 -15.808 -0.754 1.00 0.00 H new ATOM 0 H2'' DG A 10 -5.216 -16.358 0.538 1.00 0.00 H new ATOM 0 HO3' DG A 10 -3.231 -17.365 -0.459 1.00 0.00 H new ATOM 0 H1' DG A 10 -4.393 -14.087 1.001 1.00 0.00 H new ATOM 0 H8 DG A 10 -7.543 -13.428 -0.966 1.00 0.00 H new ATOM 0 H1 DG A 10 -7.561 -12.392 5.501 1.00 0.00 H new ATOM 0 H21 DG A 10 -4.326 -13.721 5.222 1.00 0.00 H new ATOM 0 H22 DG A 10 -5.568 -13.057 6.289 1.00 0.00 H new TER 316 DG A 10 ATOM 317 O5' DC B 11 -9.580 -9.450 13.276 1.00 0.00 O ATOM 318 C5' DC B 11 -9.188 -10.790 13.617 1.00 0.00 C ATOM 319 C4' DC B 11 -8.176 -11.297 12.563 1.00 0.00 C ATOM 320 O4' DC B 11 -8.750 -11.216 11.249 1.00 0.00 O ATOM 321 C3' DC B 11 -6.880 -10.442 12.480 1.00 0.00 C ATOM 322 O3' DC B 11 -5.768 -11.209 12.970 1.00 0.00 O ATOM 323 C2' DC B 11 -6.764 -10.113 10.971 1.00 0.00 C ATOM 324 C1' DC B 11 -7.670 -11.168 10.308 1.00 0.00 C ATOM 325 N1 DC B 11 -8.088 -10.742 8.973 1.00 0.00 N ATOM 326 C2 DC B 11 -7.460 -11.207 7.871 1.00 0.00 C ATOM 327 O2 DC B 11 -6.553 -12.022 7.910 1.00 0.00 O ATOM 328 N3 DC B 11 -7.849 -10.747 6.560 1.00 0.00 N ATOM 329 C4 DC B 11 -8.781 -9.900 6.392 1.00 0.00 C ATOM 330 N4 DC B 11 -9.140 -9.485 5.209 1.00 0.00 N ATOM 331 C5 DC B 11 -9.452 -9.401 7.613 1.00 0.00 C ATOM 332 C6 DC B 11 -9.084 -9.832 8.829 1.00 0.00 C ATOM 0 H5' DC B 11 -10.061 -11.442 13.647 1.00 0.00 H new ATOM 0 H5'' DC B 11 -8.740 -10.811 14.611 1.00 0.00 H new ATOM 0 H4' DC B 11 -7.936 -12.313 12.875 1.00 0.00 H new ATOM 0 H3' DC B 11 -6.896 -9.535 13.084 1.00 0.00 H new ATOM 0 H2' DC B 11 -7.101 -9.099 10.753 1.00 0.00 H new ATOM 0 H2'' DC B 11 -5.735 -10.189 10.621 1.00 0.00 H new ATOM 0 HO5' DC B 11 -9.497 -9.321 12.308 1.00 0.00 H new ATOM 0 H1' DC B 11 -7.206 -12.138 10.129 1.00 0.00 H new ATOM 0 H41 DC B 11 -9.893 -8.804 5.114 1.00 0.00 H new ATOM 0 H42 DC B 11 -8.668 -9.842 4.378 1.00 0.00 H new ATOM 0 H5 DC B 11 -10.250 -8.679 7.524 1.00 0.00 H new ATOM 0 H6 DC B 11 -9.587 -9.450 9.705 1.00 0.00 H new ATOM 345 P DG B 12 -4.235 -10.746 12.959 1.00 0.00 P ATOM 346 OP1 DG B 12 -3.467 -11.543 13.956 1.00 0.00 O ATOM 347 OP2 DG B 12 -4.140 -9.297 13.293 1.00 0.00 O ATOM 348 O5' DG B 12 -3.636 -11.006 11.497 1.00 0.00 O ATOM 349 C5' DG B 12 -3.506 -12.322 10.947 1.00 0.00 C ATOM 350 C4' DG B 12 -3.102 -12.223 9.459 1.00 0.00 C ATOM 351 O4' DG B 12 -4.113 -11.537 8.710 1.00 0.00 O ATOM 352 C3' DG B 12 -1.811 -11.401 9.201 1.00 0.00 C ATOM 353 O3' DG B 12 -0.760 -12.303 8.820 1.00 0.00 O ATOM 354 C2' DG B 12 -2.228 -10.426 8.067 1.00 0.00 C ATOM 355 C1' DG B 12 -3.507 -11.069 7.498 1.00 0.00 C ATOM 356 N9 DG B 12 -4.381 -10.128 6.809 1.00 0.00 N ATOM 357 C8 DG B 12 -5.100 -9.200 7.377 1.00 0.00 C ATOM 358 N7 DG B 12 -5.766 -8.575 6.508 1.00 0.00 N ATOM 359 C5 DG B 12 -5.485 -9.125 5.212 1.00 0.00 C ATOM 360 C6 DG B 12 -5.888 -8.898 3.826 1.00 0.00 C ATOM 361 O6 DG B 12 -6.690 -8.018 3.559 1.00 0.00 O ATOM 362 N1 DG B 12 -5.312 -9.720 2.908 1.00 0.00 N ATOM 363 C2 DG B 12 -4.420 -10.704 3.243 1.00 0.00 C ATOM 364 N2 DG B 12 -3.929 -11.450 2.288 1.00 0.00 N ATOM 365 N3 DG B 12 -4.072 -10.894 4.458 1.00 0.00 N ATOM 366 C4 DG B 12 -4.614 -10.082 5.519 1.00 0.00 C ATOM 0 H5' DG B 12 -4.448 -12.862 11.044 1.00 0.00 H new ATOM 0 H5'' DG B 12 -2.756 -12.887 11.501 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.954 -13.260 9.158 1.00 0.00 H new ATOM 0 H3' DG B 12 -1.429 -10.852 10.061 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.418 -9.423 8.449 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.451 -10.336 7.308 1.00 0.00 H new ATOM 0 H1' DG B 12 -3.310 -11.824 6.737 1.00 0.00 H new ATOM 0 H8 DG B 12 -5.122 -8.997 8.437 1.00 0.00 H new ATOM 0 H1 DG B 12 -5.555 -9.598 1.925 1.00 0.00 H new ATOM 0 H21 DG B 12 -3.263 -12.190 2.510 1.00 0.00 H new ATOM 0 H22 DG B 12 -4.212 -11.292 1.321 1.00 0.00 H new ATOM 378 P DA B 13 0.697 -11.891 8.304 1.00 0.00 P ATOM 379 OP1 DA B 13 1.639 -13.030 8.494 1.00 0.00 O ATOM 380 OP2 DA B 13 1.186 -10.699 9.053 1.00 0.00 O ATOM 381 O5' DA B 13 0.578 -11.547 6.747 1.00 0.00 O ATOM 382 C5' DA B 13 0.212 -12.519 5.760 1.00 0.00 C ATOM 383 C4' DA B 13 -0.027 -11.808 4.409 1.00 0.00 C ATOM 384 O4' DA B 13 -1.100 -10.867 4.523 1.00 0.00 O ATOM 385 C3' DA B 13 1.171 -10.947 3.930 1.00 0.00 C ATOM 386 O3' DA B 13 1.921 -11.678 2.947 1.00 0.00 O ATOM 387 C2' DA B 13 0.502 -9.654 3.389 1.00 0.00 C ATOM 388 C1' DA B 13 -1.005 -9.981 3.401 1.00 0.00 C ATOM 389 N9 DA B 13 -1.860 -8.821 3.597 1.00 0.00 N ATOM 390 C8 DA B 13 -2.127 -8.242 4.738 1.00 0.00 C ATOM 391 N7 DA B 13 -2.989 -7.324 4.600 1.00 0.00 N ATOM 392 C5 DA B 13 -3.367 -7.250 3.319 1.00 0.00 C ATOM 393 C6 DA B 13 -4.315 -6.460 2.678 1.00 0.00 C ATOM 394 N6 DA B 13 -5.120 -5.625 3.370 1.00 0.00 N ATOM 395 N1 DA B 13 -4.374 -6.608 1.335 1.00 0.00 N ATOM 396 C2 DA B 13 -3.595 -7.505 0.679 1.00 0.00 C ATOM 397 N3 DA B 13 -2.732 -8.328 1.319 1.00 0.00 N ATOM 398 C4 DA B 13 -2.608 -8.200 2.652 1.00 0.00 C ATOM 0 H5' DA B 13 -0.689 -13.048 6.070 1.00 0.00 H new ATOM 0 H5'' DA B 13 1.000 -13.265 5.657 1.00 0.00 H new ATOM 0 H4' DA B 13 -0.219 -12.622 3.711 1.00 0.00 H new ATOM 0 H3' DA B 13 1.898 -10.700 4.703 1.00 0.00 H new ATOM 0 H2' DA B 13 0.729 -8.794 4.019 1.00 0.00 H new ATOM 0 H2'' DA B 13 0.851 -9.414 2.384 1.00 0.00 H new ATOM 0 H1' DA B 13 -1.343 -10.390 2.449 1.00 0.00 H new ATOM 0 H8 DA B 13 -1.671 -8.512 5.679 1.00 0.00 H new ATOM 0 H61 DA B 13 -5.808 -5.055 2.878 1.00 0.00 H new ATOM 0 H62 DA B 13 -5.040 -5.564 4.385 1.00 0.00 H new ATOM 0 H2 DA B 13 -3.667 -7.564 -0.397 1.00 0.00 H new ATOM 410 P DC B 14 3.238 -11.147 2.206 1.00 0.00 P ATOM 411 OP1 DC B 14 3.949 -12.292 1.570 1.00 0.00 O ATOM 412 OP2 DC B 14 4.139 -10.490 3.194 1.00 0.00 O ATOM 413 O5' DC B 14 2.812 -10.092 1.083 1.00 0.00 O ATOM 414 C5' DC B 14 2.193 -10.459 -0.155 1.00 0.00 C ATOM 415 C4' DC B 14 1.693 -9.184 -0.872 1.00 0.00 C ATOM 416 O4' DC B 14 0.739 -8.495 -0.060 1.00 0.00 O ATOM 417 C3' DC B 14 2.780 -8.107 -1.092 1.00 0.00 C ATOM 418 O3' DC B 14 3.454 -8.356 -2.334 1.00 0.00 O ATOM 419 C2' DC B 14 1.990 -6.770 -1.041 1.00 0.00 C ATOM 420 C1' DC B 14 0.561 -7.187 -0.617 1.00 0.00 C ATOM 421 N1 DC B 14 -0.112 -6.335 0.366 1.00 0.00 N ATOM 422 C2 DC B 14 -1.147 -5.539 0.012 1.00 0.00 C ATOM 423 O2 DC B 14 -1.532 -5.416 -1.139 1.00 0.00 O ATOM 424 N3 DC B 14 -1.868 -4.791 1.014 1.00 0.00 N ATOM 425 C4 DC B 14 -1.559 -4.843 2.247 1.00 0.00 C ATOM 426 N4 DC B 14 -2.234 -4.209 3.165 1.00 0.00 N ATOM 427 C5 DC B 14 -0.385 -5.672 2.600 1.00 0.00 C ATOM 428 C6 DC B 14 0.277 -6.367 1.664 1.00 0.00 C ATOM 0 H5' DC B 14 1.360 -11.138 0.028 1.00 0.00 H new ATOM 0 H5'' DC B 14 2.904 -10.991 -0.787 1.00 0.00 H new ATOM 0 H4' DC B 14 1.310 -9.561 -1.820 1.00 0.00 H new ATOM 0 H3' DC B 14 3.578 -8.097 -0.349 1.00 0.00 H new ATOM 0 H2' DC B 14 2.430 -6.075 -0.326 1.00 0.00 H new ATOM 0 H2'' DC B 14 1.988 -6.272 -2.010 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.091 -7.119 -1.488 1.00 0.00 H new ATOM 0 H41 DC B 14 -1.953 -4.277 4.143 1.00 0.00 H new ATOM 0 H42 DC B 14 -3.043 -3.645 2.905 1.00 0.00 H new ATOM 0 H5 DC B 14 -0.056 -5.718 3.628 1.00 0.00 H new ATOM 0 H6 DC B 14 1.133 -6.961 1.948 1.00 0.00 H new ATOM 440 P DG B 15 4.573 -7.429 -3.004 1.00 0.00 P ATOM 441 OP1 DG B 15 5.454 -8.268 -3.864 1.00 0.00 O ATOM 442 OP2 DG B 15 5.385 -6.764 -1.947 1.00 0.00 O ATOM 443 O5' DG B 15 3.856 -6.325 -3.913 1.00 0.00 O ATOM 444 C5' DG B 15 3.023 -6.654 -5.032 1.00 0.00 C ATOM 445 C4' DG B 15 2.405 -5.352 -5.591 1.00 0.00 C ATOM 446 O4' DG B 15 1.719 -4.743 -4.488 1.00 0.00 O ATOM 447 C3' DG B 15 3.466 -4.332 -6.072 1.00 0.00 C ATOM 448 O3' DG B 15 2.963 -3.718 -7.266 1.00 0.00 O ATOM 449 C2' DG B 15 3.564 -3.340 -4.891 1.00 0.00 C ATOM 450 C1' DG B 15 2.126 -3.378 -4.324 1.00 0.00 C ATOM 451 N9 DG B 15 1.955 -3.166 -2.889 1.00 0.00 N ATOM 452 C8 DG B 15 2.696 -3.679 -1.944 1.00 0.00 C ATOM 453 N7 DG B 15 2.225 -3.387 -0.814 1.00 0.00 N ATOM 454 C5 DG B 15 1.038 -2.602 -0.988 1.00 0.00 C ATOM 455 C6 DG B 15 0.013 -2.001 -0.141 1.00 0.00 C ATOM 456 O6 DG B 15 0.050 -2.157 1.069 1.00 0.00 O ATOM 457 N1 DG B 15 -0.944 -1.303 -0.803 1.00 0.00 N ATOM 458 C2 DG B 15 -0.964 -1.161 -2.165 1.00 0.00 C ATOM 459 N2 DG B 15 -1.907 -0.426 -2.693 1.00 0.00 N ATOM 460 N3 DG B 15 -0.086 -1.728 -2.901 1.00 0.00 N ATOM 461 C4 DG B 15 0.981 -2.499 -2.314 1.00 0.00 C ATOM 0 H5' DG B 15 2.237 -7.345 -4.727 1.00 0.00 H new ATOM 0 H5'' DG B 15 3.607 -7.156 -5.803 1.00 0.00 H new ATOM 0 H4' DG B 15 1.774 -5.603 -6.444 1.00 0.00 H new ATOM 0 H3' DG B 15 4.445 -4.746 -6.316 1.00 0.00 H new ATOM 0 H2' DG B 15 4.302 -3.654 -4.153 1.00 0.00 H new ATOM 0 H2'' DG B 15 3.847 -2.340 -5.220 1.00 0.00 H new ATOM 0 H1' DG B 15 1.587 -2.581 -4.835 1.00 0.00 H new ATOM 0 H8 DG B 15 3.585 -4.269 -2.109 1.00 0.00 H new ATOM 0 H1 DG B 15 -1.686 -0.862 -0.259 1.00 0.00 H new ATOM 0 H21 DG B 15 -1.950 -0.300 -3.704 1.00 0.00 H new ATOM 0 H22 DG B 15 -2.600 0.022 -2.094 1.00 0.00 H new ATOM 473 P DC B 16 3.637 -2.547 -8.121 1.00 0.00 P ATOM 474 OP1 DC B 16 3.697 -2.934 -9.559 1.00 0.00 O ATOM 475 OP2 DC B 16 5.006 -2.244 -7.617 1.00 0.00 O ATOM 476 O5' DC B 16 2.684 -1.279 -7.937 1.00 0.00 O ATOM 477 C5' DC B 16 1.354 -1.204 -8.468 1.00 0.00 C ATOM 478 C4' DC B 16 0.639 -0.055 -7.729 1.00 0.00 C ATOM 479 O4' DC B 16 0.774 -0.292 -6.328 1.00 0.00 O ATOM 480 C3' DC B 16 1.311 1.321 -7.912 1.00 0.00 C ATOM 481 O3' DC B 16 0.843 1.931 -9.125 1.00 0.00 O ATOM 482 C2' DC B 16 0.893 2.064 -6.620 1.00 0.00 C ATOM 483 C1' DC B 16 0.510 0.931 -5.634 1.00 0.00 C ATOM 484 N1 DC B 16 1.263 0.930 -4.382 1.00 0.00 N ATOM 485 C2 DC B 16 0.752 1.500 -3.271 1.00 0.00 C ATOM 486 O2 DC B 16 -0.308 2.103 -3.265 1.00 0.00 O ATOM 487 N3 DC B 16 1.455 1.401 -2.015 1.00 0.00 N ATOM 488 C4 DC B 16 2.565 0.790 -1.913 1.00 0.00 C ATOM 489 N4 DC B 16 3.177 0.636 -0.773 1.00 0.00 N ATOM 490 C5 DC B 16 3.143 0.247 -3.162 1.00 0.00 C ATOM 491 C6 DC B 16 2.482 0.341 -4.324 1.00 0.00 C ATOM 0 H5' DC B 16 0.826 -2.146 -8.320 1.00 0.00 H new ATOM 0 H5'' DC B 16 1.377 -1.017 -9.542 1.00 0.00 H new ATOM 0 H4' DC B 16 -0.378 -0.036 -8.121 1.00 0.00 H new ATOM 0 H3' DC B 16 2.395 1.308 -8.026 1.00 0.00 H new ATOM 0 H2' DC B 16 1.709 2.672 -6.229 1.00 0.00 H new ATOM 0 H2'' DC B 16 0.053 2.735 -6.801 1.00 0.00 H new ATOM 0 H1' DC B 16 -0.532 1.068 -5.343 1.00 0.00 H new ATOM 0 H41 DC B 16 4.067 0.139 -0.735 1.00 0.00 H new ATOM 0 H42 DC B 16 2.766 1.013 0.081 1.00 0.00 H new ATOM 0 H5 DC B 16 4.111 -0.232 -3.137 1.00 0.00 H new ATOM 0 H6 DC B 16 2.926 -0.057 -5.224 1.00 0.00 H new ATOM 503 P DG B 17 1.277 3.362 -9.697 1.00 0.00 P ATOM 504 OP1 DG B 17 0.678 3.566 -11.045 1.00 0.00 O ATOM 505 OP2 DG B 17 2.763 3.418 -9.797 1.00 0.00 O ATOM 506 O5' DG B 17 0.774 4.513 -8.709 1.00 0.00 O ATOM 507 C5' DG B 17 -0.579 4.938 -8.498 1.00 0.00 C ATOM 508 C4' DG B 17 -0.543 5.861 -7.259 1.00 0.00 C ATOM 509 O4' DG B 17 0.227 5.171 -6.262 1.00 0.00 O ATOM 510 C3' DG B 17 0.194 7.202 -7.519 1.00 0.00 C ATOM 511 O3' DG B 17 -0.707 8.296 -7.281 1.00 0.00 O ATOM 512 C2' DG B 17 1.387 7.160 -6.533 1.00 0.00 C ATOM 513 C1' DG B 17 0.943 6.124 -5.474 1.00 0.00 C ATOM 514 N9 DG B 17 2.022 5.408 -4.793 1.00 0.00 N ATOM 515 C8 DG B 17 3.110 4.942 -5.346 1.00 0.00 C ATOM 516 N7 DG B 17 3.827 4.367 -4.484 1.00 0.00 N ATOM 517 C5 DG B 17 3.170 4.427 -3.212 1.00 0.00 C ATOM 518 C6 DG B 17 3.425 3.968 -1.850 1.00 0.00 C ATOM 519 O6 DG B 17 4.463 3.382 -1.587 1.00 0.00 O ATOM 520 N1 DG B 17 2.441 4.243 -0.955 1.00 0.00 N ATOM 521 C2 DG B 17 1.297 4.922 -1.283 1.00 0.00 C ATOM 522 N2 DG B 17 0.416 5.132 -0.340 1.00 0.00 N ATOM 523 N3 DG B 17 1.095 5.340 -2.475 1.00 0.00 N ATOM 524 C4 DG B 17 2.058 5.090 -3.519 1.00 0.00 C ATOM 0 H5' DG B 17 -1.235 4.084 -8.330 1.00 0.00 H new ATOM 0 H5'' DG B 17 -0.963 5.468 -9.370 1.00 0.00 H new ATOM 0 H4' DG B 17 -1.571 6.083 -6.973 1.00 0.00 H new ATOM 0 H3' DG B 17 0.543 7.339 -8.542 1.00 0.00 H new ATOM 0 H2' DG B 17 2.308 6.856 -7.030 1.00 0.00 H new ATOM 0 H2'' DG B 17 1.573 8.137 -6.086 1.00 0.00 H new ATOM 0 H1' DG B 17 0.400 6.628 -4.675 1.00 0.00 H new ATOM 0 H8 DG B 17 3.359 5.036 -6.393 1.00 0.00 H new ATOM 0 H1 DG B 17 2.559 3.929 0.008 1.00 0.00 H new ATOM 0 H21 DG B 17 -0.446 5.634 -0.550 1.00 0.00 H new ATOM 0 H22 DG B 17 0.591 4.794 0.606 1.00 0.00 H new ATOM 536 P DT B 18 -0.323 9.847 -7.393 1.00 0.00 P ATOM 537 OP1 DT B 18 -1.559 10.661 -7.563 1.00 0.00 O ATOM 538 OP2 DT B 18 0.593 10.066 -8.547 1.00 0.00 O ATOM 539 O5' DT B 18 0.407 10.255 -6.031 1.00 0.00 O ATOM 540 C5' DT B 18 -0.300 10.330 -4.789 1.00 0.00 C ATOM 541 C4' DT B 18 0.713 10.310 -3.626 1.00 0.00 C ATOM 542 O4' DT B 18 1.497 9.113 -3.647 1.00 0.00 O ATOM 543 C3' DT B 18 1.798 11.406 -3.667 1.00 0.00 C ATOM 544 O3' DT B 18 1.270 12.620 -3.116 1.00 0.00 O ATOM 545 C2' DT B 18 2.951 10.771 -2.843 1.00 0.00 C ATOM 546 C1' DT B 18 2.539 9.284 -2.680 1.00 0.00 C ATOM 547 N1 DT B 18 3.618 8.320 -2.911 1.00 0.00 N ATOM 548 C2 DT B 18 4.077 7.556 -1.886 1.00 0.00 C ATOM 549 O2 DT B 18 3.621 7.648 -0.757 1.00 0.00 O ATOM 550 N3 DT B 18 5.065 6.667 -2.126 1.00 0.00 N ATOM 551 C4 DT B 18 5.615 6.514 -3.345 1.00 0.00 C ATOM 552 O4 DT B 18 6.512 5.713 -3.559 1.00 0.00 O ATOM 553 C5 DT B 18 5.107 7.349 -4.445 1.00 0.00 C ATOM 554 C7 DT B 18 5.680 7.209 -5.836 1.00 0.00 C ATOM 555 C6 DT B 18 4.128 8.218 -4.163 1.00 0.00 C ATOM 0 H5' DT B 18 -0.991 9.492 -4.699 1.00 0.00 H new ATOM 0 H5'' DT B 18 -0.897 11.241 -4.751 1.00 0.00 H new ATOM 0 H4' DT B 18 0.065 10.433 -2.759 1.00 0.00 H new ATOM 0 H3' DT B 18 2.145 11.693 -4.660 1.00 0.00 H new ATOM 0 H2' DT B 18 3.906 10.864 -3.360 1.00 0.00 H new ATOM 0 H2'' DT B 18 3.063 11.260 -1.875 1.00 0.00 H new ATOM 0 H1' DT B 18 2.238 9.085 -1.651 1.00 0.00 H new ATOM 0 H3 DT B 18 5.406 6.091 -1.356 1.00 0.00 H new ATOM 0 H71 DT B 18 4.913 7.451 -6.572 1.00 0.00 H new ATOM 0 H72 DT B 18 6.522 7.891 -5.953 1.00 0.00 H new ATOM 0 H73 DT B 18 6.019 6.184 -5.988 1.00 0.00 H new ATOM 0 H6 DT B 18 3.737 8.849 -4.947 1.00 0.00 H new ATOM 568 P DC B 19 2.078 13.947 -2.733 1.00 0.00 P ATOM 569 OP1 DC B 19 1.131 15.094 -2.647 1.00 0.00 O ATOM 570 OP2 DC B 19 3.122 14.225 -3.759 1.00 0.00 O ATOM 571 O5' DC B 19 2.761 13.720 -1.304 1.00 0.00 O ATOM 572 C5' DC B 19 2.014 13.382 -0.126 1.00 0.00 C ATOM 573 C4' DC B 19 3.017 13.020 0.992 1.00 0.00 C ATOM 574 O4' DC B 19 3.869 11.992 0.473 1.00 0.00 O ATOM 575 C3' DC B 19 3.960 14.187 1.385 1.00 0.00 C ATOM 576 O3' DC B 19 3.721 14.521 2.762 1.00 0.00 O ATOM 577 C2' DC B 19 5.380 13.623 1.129 1.00 0.00 C ATOM 578 C1' DC B 19 5.158 12.096 1.085 1.00 0.00 C ATOM 579 N1 DC B 19 6.111 11.368 0.241 1.00 0.00 N ATOM 580 C2 DC B 19 7.025 10.523 0.769 1.00 0.00 C ATOM 581 O2 DC B 19 7.149 10.344 1.970 1.00 0.00 O ATOM 582 N3 DC B 19 7.910 9.774 -0.092 1.00 0.00 N ATOM 583 C4 DC B 19 7.872 9.884 -1.360 1.00 0.00 C ATOM 584 N4 DC B 19 8.655 9.206 -2.153 1.00 0.00 N ATOM 585 C5 DC B 19 6.885 10.837 -1.913 1.00 0.00 C ATOM 586 C6 DC B 19 6.066 11.525 -1.106 1.00 0.00 C ATOM 0 H5' DC B 19 1.348 12.543 -0.326 1.00 0.00 H new ATOM 0 H5'' DC B 19 1.388 14.220 0.181 1.00 0.00 H new ATOM 0 H4' DC B 19 2.434 12.737 1.868 1.00 0.00 H new ATOM 0 H3' DC B 19 3.812 15.109 0.822 1.00 0.00 H new ATOM 0 H2' DC B 19 5.797 13.995 0.193 1.00 0.00 H new ATOM 0 H2'' DC B 19 6.073 13.905 1.922 1.00 0.00 H new ATOM 0 H1' DC B 19 5.268 11.667 2.081 1.00 0.00 H new ATOM 0 H41 DC B 19 8.587 9.328 -3.163 1.00 0.00 H new ATOM 0 H42 DC B 19 9.335 8.554 -1.763 1.00 0.00 H new ATOM 0 H5 DC B 19 6.824 10.980 -2.982 1.00 0.00 H new ATOM 0 H6 DC B 19 5.357 12.217 -1.536 1.00 0.00 H new ATOM 598 P DG B 20 4.484 15.632 3.626 1.00 0.00 P ATOM 599 OP1 DG B 20 3.637 16.030 4.785 1.00 0.00 O ATOM 600 OP2 DG B 20 4.770 16.824 2.780 1.00 0.00 O ATOM 601 O5' DG B 20 5.854 15.004 4.160 1.00 0.00 O ATOM 602 C5' DG B 20 5.906 13.953 5.131 1.00 0.00 C ATOM 603 C4' DG B 20 7.361 13.437 5.213 1.00 0.00 C ATOM 604 O4' DG B 20 7.679 12.915 3.911 1.00 0.00 O ATOM 605 C3' DG B 20 8.385 14.578 5.483 1.00 0.00 C ATOM 606 O3' DG B 20 9.408 14.153 6.401 1.00 0.00 O ATOM 607 C2' DG B 20 9.033 14.777 4.096 1.00 0.00 C ATOM 608 C1' DG B 20 9.002 13.329 3.561 1.00 0.00 C ATOM 609 N9 DG B 20 9.209 13.140 2.129 1.00 0.00 N ATOM 610 C8 DG B 20 8.842 13.937 1.162 1.00 0.00 C ATOM 611 N7 DG B 20 9.189 13.456 0.050 1.00 0.00 N ATOM 612 C5 DG B 20 9.867 12.210 0.263 1.00 0.00 C ATOM 613 C6 DG B 20 10.506 11.167 -0.537 1.00 0.00 C ATOM 614 O6 DG B 20 10.542 11.270 -1.752 1.00 0.00 O ATOM 615 N1 DG B 20 11.027 10.128 0.169 1.00 0.00 N ATOM 616 C2 DG B 20 10.987 10.055 1.536 1.00 0.00 C ATOM 617 N2 DG B 20 11.547 9.030 2.124 1.00 0.00 N ATOM 618 N3 DG B 20 10.421 10.969 2.226 1.00 0.00 N ATOM 619 C4 DG B 20 9.823 12.115 1.589 1.00 0.00 C ATOM 0 H5' DG B 20 5.232 13.144 4.851 1.00 0.00 H new ATOM 0 H5'' DG B 20 5.578 14.319 6.104 1.00 0.00 H new ATOM 0 H4' DG B 20 7.425 12.711 6.023 1.00 0.00 H new ATOM 0 H3' DG B 20 7.918 15.465 5.911 1.00 0.00 H new ATOM 0 H2' DG B 20 8.465 15.463 3.468 1.00 0.00 H new ATOM 0 H2'' DG B 20 10.047 15.172 4.165 1.00 0.00 H new ATOM 0 HO3' DG B 20 10.038 14.888 6.551 1.00 0.00 H new ATOM 0 H1' DG B 20 9.832 12.765 3.985 1.00 0.00 H new ATOM 0 H8 DG B 20 8.318 14.872 1.296 1.00 0.00 H new ATOM 0 H1 DG B 20 11.469 9.366 -0.345 1.00 0.00 H new ATOM 0 H21 DG B 20 11.530 8.954 3.141 1.00 0.00 H new ATOM 0 H22 DG B 20 12.001 8.307 1.566 1.00 0.00 H new TER 632 DG B 20 HETATM 633 N2 3BF A 101 -3.335 5.941 0.176 1.00 0.00 N HETATM 634 C4 3BF A 101 -5.155 6.566 -1.431 1.00 0.00 C HETATM 635 N5 3BF A 101 -5.803 5.894 -2.329 1.00 0.00 N HETATM 636 N8 3BF A 101 -5.270 2.480 -3.438 1.00 0.00 N HETATM 637 C6 3BF A 101 -5.357 4.674 -2.411 1.00 0.00 C HETATM 638 C7 3BF A 101 -5.853 3.613 -3.322 1.00 0.00 C HETATM 639 C9 3BF A 101 -5.619 1.539 -4.351 1.00 0.00 C HETATM 640 C10 3BF A 101 -6.274 1.747 -5.568 1.00 0.00 C HETATM 641 C11 3BF A 101 -7.180 0.367 -7.422 1.00 0.00 C HETATM 642 O1' 3BF A 101 -3.844 8.050 0.532 1.00 0.00 O HETATM 643 C1' 3BF A 101 -3.205 7.048 0.804 1.00 0.00 C HETATM 644 C1 3BF A 101 -2.238 7.133 1.959 1.00 0.00 C HETATM 645 C3 3BF A 101 -4.269 5.708 -0.912 1.00 0.00 C HETATM 646 C5 3BF A 101 -6.895 6.451 -3.125 1.00 0.00 C HETATM 647 N6 3BF A 101 -4.359 4.530 -1.537 1.00 0.00 N HETATM 648 O7 3BF A 101 -6.853 3.864 -3.972 1.00 0.00 O HETATM 649 N11 3BF A 101 -6.390 0.571 -6.212 1.00 0.00 N HETATM 650 C13 3BF A 101 -5.341 0.167 -4.284 1.00 0.00 C HETATM 651 C12 3BF A 101 -5.755 -0.386 -5.501 1.00 0.00 C HETATM 652 C14 3BF A 101 -5.507 -1.787 -6.022 1.00 0.00 C HETATM 653 O12 3BF A 101 -5.523 -1.911 -7.235 1.00 0.00 O HETATM 654 N14 3BF A 101 -5.275 -2.790 -5.262 1.00 0.00 N HETATM 655 C15 3BF A 101 -4.950 -4.115 -5.764 1.00 0.00 C HETATM 656 S16 3BF A 101 -4.793 -4.501 -7.394 1.00 0.00 S HETATM 657 C17 3BF A 101 -4.326 -6.077 -7.110 1.00 0.00 C HETATM 658 C20 3BF A 101 -3.946 -7.025 -8.227 1.00 0.00 C HETATM 659 C21 3BF A 101 -3.374 -6.263 -9.454 1.00 0.00 C HETATM 660 C28 3BF A 101 -5.200 -7.847 -8.624 1.00 0.00 C HETATM 661 N19 3BF A 101 -4.726 -5.210 -5.023 1.00 0.00 N HETATM 662 C18 3BF A 101 -4.373 -6.269 -5.780 1.00 0.00 C HETATM 663 C22 3BF A 101 -4.051 -7.555 -5.108 1.00 0.00 C HETATM 664 O22 3BF A 101 -3.688 -8.500 -5.790 1.00 0.00 O HETATM 665 N22 3BF A 101 -4.149 -7.642 -3.835 1.00 0.00 N HETATM 666 C23 3BF A 101 -3.714 -8.915 -3.261 1.00 0.00 C HETATM 667 C24 3BF A 101 -2.218 -8.817 -2.864 1.00 0.00 C HETATM 668 C25 3BF A 101 -1.227 -8.791 -4.067 1.00 0.00 C HETATM 669 N26 3BF A 101 -1.210 -9.989 -4.958 1.00 0.00 N1+ HETATM 670 C29 3BF A 101 -0.224 -9.784 -6.057 1.00 0.00 C HETATM 671 C27 3BF A 101 -0.897 -11.245 -4.221 1.00 0.00 C HETATM 708 N2 3BF B 101 -2.046 -2.845 -5.146 1.00 0.00 N HETATM 709 C4 3BF B 101 -2.569 -1.821 -7.383 1.00 0.00 C HETATM 710 N5 3BF B 101 -2.910 -0.619 -7.734 1.00 0.00 N HETATM 711 N8 3BF B 101 -3.112 2.266 -5.575 1.00 0.00 N HETATM 712 C6 3BF B 101 -2.979 0.163 -6.698 1.00 0.00 C HETATM 713 C7 3BF B 101 -3.268 1.617 -6.665 1.00 0.00 C HETATM 714 C9 3BF B 101 -3.308 3.600 -5.431 1.00 0.00 C HETATM 715 C10 3BF B 101 -4.057 4.477 -6.220 1.00 0.00 C HETATM 716 C11 3BF B 101 -4.394 6.938 -6.388 1.00 0.00 C HETATM 717 O1' 3BF B 101 -1.703 -4.391 -6.665 1.00 0.00 O HETATM 718 C1' 3BF B 101 -1.705 -4.024 -5.502 1.00 0.00 C HETATM 719 C1 3BF B 101 -1.284 -5.024 -4.451 1.00 0.00 C HETATM 720 C3 3BF B 101 -2.438 -1.780 -6.052 1.00 0.00 C HETATM 721 C5 3BF B 101 -3.140 -0.205 -9.117 1.00 0.00 C HETATM 722 N6 3BF B 101 -2.723 -0.554 -5.604 1.00 0.00 N HETATM 723 O7 3BF B 101 -3.631 2.160 -7.695 1.00 0.00 O HETATM 724 N11 3BF B 101 -3.936 5.725 -5.719 1.00 0.00 N HETATM 725 C13 3BF B 101 -2.766 4.367 -4.398 1.00 0.00 C HETATM 726 C12 3BF B 101 -3.185 5.686 -4.596 1.00 0.00 C HETATM 727 C14 3BF B 101 -2.865 6.868 -3.705 1.00 0.00 C HETATM 728 O12 3BF B 101 -3.558 7.866 -3.822 1.00 0.00 O HETATM 729 N14 3BF B 101 -1.913 6.833 -2.852 1.00 0.00 N HETATM 730 C15 3BF B 101 -1.585 7.923 -1.955 1.00 0.00 C HETATM 731 S16 3BF B 101 -2.365 9.413 -1.853 1.00 0.00 S HETATM 732 C17 3BF B 101 -1.442 9.933 -0.551 1.00 0.00 C HETATM 733 C20 3BF B 101 -1.626 11.282 0.111 1.00 0.00 C HETATM 734 C21 3BF B 101 -2.875 11.244 1.027 1.00 0.00 C HETATM 735 C28 3BF B 101 -1.769 12.402 -0.957 1.00 0.00 C HETATM 736 N19 3BF B 101 -0.591 7.865 -1.062 1.00 0.00 N HETATM 737 C18 3BF B 101 -0.580 8.944 -0.260 1.00 0.00 C HETATM 738 C22 3BF B 101 0.376 8.908 0.869 1.00 0.00 C HETATM 739 O22 3BF B 101 0.166 9.628 1.832 1.00 0.00 O HETATM 740 N22 3BF B 101 1.366 8.099 0.811 1.00 0.00 N1+ HETATM 741 C23 3BF B 101 2.157 8.016 2.034 1.00 0.00 C HETATM 742 C24 3BF B 101 3.113 9.216 2.292 1.00 0.00 C HETATM 743 C25 3BF B 101 4.030 8.994 3.541 1.00 0.00 C HETATM 744 N26 3BF B 101 3.364 9.052 4.879 1.00 0.00 N1+ HETATM 745 C29 3BF B 101 2.958 10.434 5.261 1.00 0.00 C HETATM 746 C27 3BF B 101 4.268 8.494 5.926 1.00 0.00 C CONECT 633 643 645 672 CONECT 634 635 645 673 CONECT 635 634 637 646 CONECT 636 638 639 674 CONECT 637 635 638 647 CONECT 638 636 637 648 CONECT 639 636 640 650 CONECT 640 639 649 675 CONECT 641 649 676 677 678 CONECT 642 643 CONECT 643 633 642 644 CONECT 644 643 679 680 681 CONECT 645 633 634 647 CONECT 646 635 682 683 684 CONECT 647 637 645 CONECT 648 638 CONECT 649 640 641 651 CONECT 650 639 651 685 CONECT 651 649 650 652 CONECT 652 651 653 654 CONECT 653 652 CONECT 654 652 655 686 CONECT 655 654 656 661 CONECT 656 655 657 CONECT 657 656 658 662 CONECT 658 657 659 660 687 CONECT 659 658 688 689 690 CONECT 660 658 691 692 693 CONECT 661 655 662 CONECT 662 657 661 663 CONECT 663 662 664 665 CONECT 664 663 CONECT 665 663 666 694 CONECT 666 665 667 695 696 CONECT 667 666 668 697 698 CONECT 668 667 669 699 700 CONECT 669 668 670 671 707 CONECT 670 669 701 702 703 CONECT 671 669 704 705 706 CONECT 672 633 CONECT 673 634 CONECT 674 636 CONECT 675 640 CONECT 676 641 CONECT 677 641 CONECT 678 641 CONECT 679 644 CONECT 680 644 CONECT 681 644 CONECT 682 646 CONECT 683 646 CONECT 684 646 CONECT 685 650 CONECT 686 654 CONECT 687 658 CONECT 688 659 CONECT 689 659 CONECT 690 659 CONECT 691 660 CONECT 692 660 CONECT 693 660 CONECT 694 665 CONECT 695 666 CONECT 696 666 CONECT 697 667 CONECT 698 667 CONECT 699 668 CONECT 700 668 CONECT 701 670 CONECT 702 670 CONECT 703 670 CONECT 704 671 CONECT 705 671 CONECT 706 671 CONECT 707 669 CONECT 708 718 720 747 CONECT 709 710 720 748 CONECT 710 709 712 721 CONECT 711 713 714 749 CONECT 712 710 713 722 CONECT 713 711 712 723 CONECT 714 711 715 725 CONECT 715 714 724 750 CONECT 716 724 751 752 753 CONECT 717 718 CONECT 718 708 717 719 CONECT 719 718 754 755 756 CONECT 720 708 709 722 CONECT 721 710 757 758 759 CONECT 722 712 720 CONECT 723 713 CONECT 724 715 716 726 CONECT 725 714 726 760 CONECT 726 724 725 727 CONECT 727 726 728 729 CONECT 728 727 CONECT 729 727 730 761 CONECT 730 729 731 736 CONECT 731 730 732 CONECT 732 731 733 737 CONECT 733 732 734 735 762 CONECT 734 733 763 764 765 CONECT 735 733 766 767 768 CONECT 736 730 737 CONECT 737 732 736 738 CONECT 738 737 739 740 CONECT 739 738 CONECT 740 738 741 769 CONECT 741 740 742 770 771 CONECT 742 741 743 772 773 CONECT 743 742 744 774 775 CONECT 744 743 745 746 782 CONECT 745 744 776 777 778 CONECT 746 744 779 780 781 CONECT 747 708 CONECT 748 709 CONECT 749 711 CONECT 750 715 CONECT 751 716 CONECT 752 716 CONECT 753 716 CONECT 754 719 CONECT 755 719 CONECT 756 719 CONECT 757 721 CONECT 758 721 CONECT 759 721 CONECT 760 725 CONECT 761 729 CONECT 762 733 CONECT 763 734 CONECT 764 734 CONECT 765 734 CONECT 766 735 CONECT 767 735 CONECT 768 735 CONECT 769 740 CONECT 770 741 CONECT 771 741 CONECT 772 742 CONECT 773 742 CONECT 774 743 CONECT 775 743 CONECT 776 745 CONECT 777 745 CONECT 778 745 CONECT 779 746 CONECT 780 746 CONECT 781 746 CONECT 782 744 END