USER MOD reduce.3.24.130724 H: found=0, std=0, add=228, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 304 hydrogens (76 hets) HEADER DNA 03-APR-14 2MNE TITLE RECOGNITION COMPLEX OF DNA D(CGACTAGTCG)2 WITH THIAZOTROPSIN ANALOGUE TITLE 2 AIK-18/51 COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*AP*CP*TP*AP*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 2MNE 1 JRNL REVDAT 1 30-JUL-14 2MNE 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 2MNE 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 RCSB103823. 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 AIK-18/51, 2 MM 5'-D(*CP* REMARK 210 GP*AP*CP*TP*AP*GP*TP*CP*G)-3', REMARK 210 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY; REMARK 210 2D 1H-1H COSY 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, SPARKY, SYBYL, REMARK 210 MARDIGRAS, AMBER 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 0.089 REMARK 500 DC A 1 N3 DC A 1 C4 -0.064 REMARK 500 DC A 1 C4 DC A 1 C5 0.057 REMARK 500 DG A 2 N3 DG A 2 C4 0.090 REMARK 500 DG A 2 C4 DG A 2 C5 -0.048 REMARK 500 DG A 2 C5 DG A 2 N7 0.047 REMARK 500 DG A 2 N7 DG A 2 C8 -0.044 REMARK 500 DG A 2 C8 DG A 2 N9 -0.071 REMARK 500 DG A 2 N9 DG A 2 C4 -0.065 REMARK 500 DA A 3 C5 DA A 3 N7 -0.050 REMARK 500 DA A 3 N7 DA A 3 C8 -0.044 REMARK 500 DA A 3 C8 DA A 3 N9 -0.064 REMARK 500 DC A 4 C2 DC A 4 N3 0.091 REMARK 500 DC A 4 N3 DC A 4 C4 -0.063 REMARK 500 DC A 4 C4 DC A 4 C5 0.052 REMARK 500 DA A 6 C5 DA A 6 N7 -0.050 REMARK 500 DA A 6 N7 DA A 6 C8 -0.044 REMARK 500 DA A 6 C8 DA A 6 N9 -0.064 REMARK 500 DG A 7 N3 DG A 7 C4 0.092 REMARK 500 DG A 7 C4 DG A 7 C5 -0.048 REMARK 500 DG A 7 C5 DG A 7 N7 0.047 REMARK 500 DG A 7 N7 DG A 7 C8 -0.045 REMARK 500 DG A 7 C8 DG A 7 N9 -0.070 REMARK 500 DG A 7 N9 DG A 7 C4 -0.061 REMARK 500 DC A 9 C2 DC A 9 N3 0.091 REMARK 500 DC A 9 N3 DC A 9 C4 -0.064 REMARK 500 DC A 9 C4 DC A 9 C5 0.054 REMARK 500 DG A 10 N3 DG A 10 C4 0.089 REMARK 500 DG A 10 C4 DG A 10 C5 -0.050 REMARK 500 DG A 10 C5 DG A 10 N7 0.048 REMARK 500 DG A 10 N7 DG A 10 C8 -0.043 REMARK 500 DG A 10 C8 DG A 10 N9 -0.071 REMARK 500 DG A 10 N9 DG A 10 C4 -0.065 REMARK 500 DC B 11 C2 DC B 11 N3 0.089 REMARK 500 DC B 11 N3 DC B 11 C4 -0.064 REMARK 500 DC B 11 C4 DC B 11 C5 0.056 REMARK 500 DG B 12 N3 DG B 12 C4 0.091 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 -0.045 REMARK 500 DG B 12 C8 DG B 12 N9 -0.071 REMARK 500 DG B 12 N9 DG B 12 C4 -0.066 REMARK 500 DA B 13 C5 DA B 13 N7 -0.050 REMARK 500 DA B 13 N7 DA B 13 C8 -0.043 REMARK 500 DA B 13 C8 DA B 13 N9 -0.064 REMARK 500 DC B 14 C2 DC B 14 N3 0.089 REMARK 500 DC B 14 N3 DC B 14 C4 -0.064 REMARK 500 DC B 14 C4 DC B 14 C5 0.056 REMARK 500 DA B 16 C5 DA B 16 N7 -0.049 REMARK 500 DA B 16 N7 DA B 16 C8 -0.044 REMARK 500 REMARK 500 THIS ENTRY HAS 66 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' - N1 ANGL. DEV. = 7.8 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. = 3.8 DEGREES REMARK 500 DC A 1 N3 - C2 - O2 ANGL. DEV. = -5.1 DEGREES REMARK 500 DC A 1 N3 - C4 - N4 ANGL. DEV. = 4.3 DEGREES REMARK 500 DG A 2 OP1 - P - OP2 ANGL. DEV. = -10.2 DEGREES REMARK 500 DG A 2 O4' - C1' - C2' ANGL. DEV. = -5.1 DEGREES REMARK 500 DG A 2 C2 - N3 - C4 ANGL. DEV. = 9.0 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. = -9.4 DEGREES REMARK 500 DG A 2 C5 - N7 - C8 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG A 2 N9 - C4 - C5 ANGL. DEV. = 6.0 DEGREES REMARK 500 DG A 2 C6 - C5 - N7 ANGL. DEV. = 7.7 DEGREES REMARK 500 DG A 2 N1 - C6 - O6 ANGL. DEV. = 4.9 DEGREES REMARK 500 DG A 2 C5 - C6 - O6 ANGL. DEV. = -8.9 DEGREES REMARK 500 DA A 3 OP1 - P - OP2 ANGL. DEV. = -9.9 DEGREES REMARK 500 DA A 3 O4' - C1' - C2' ANGL. DEV. = -6.0 DEGREES REMARK 500 DA A 3 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA A 3 N1 - C2 - N3 ANGL. DEV. = -6.7 DEGREES REMARK 500 DA A 3 C2 - N3 - C4 ANGL. DEV. = 7.4 DEGREES REMARK 500 DA A 3 N3 - C4 - C5 ANGL. DEV. = -7.4 DEGREES REMARK 500 DA A 3 C4 - C5 - C6 ANGL. DEV. = 5.8 DEGREES REMARK 500 DA A 3 C4 - C5 - N7 ANGL. DEV. = -5.4 DEGREES REMARK 500 DA A 3 C5 - N7 - C8 ANGL. DEV. = 6.0 DEGREES REMARK 500 DA A 3 N3 - C4 - N9 ANGL. DEV. = 6.5 DEGREES REMARK 500 DA A 3 N1 - C6 - N6 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC A 4 OP1 - P - OP2 ANGL. DEV. = -9.4 DEGREES REMARK 500 DC A 4 N3 - C4 - C5 ANGL. DEV. = -5.3 DEGREES REMARK 500 DC A 4 C4 - C5 - C6 ANGL. DEV. = 3.7 DEGREES REMARK 500 DC A 4 N1 - C2 - O2 ANGL. DEV. = 4.1 DEGREES REMARK 500 DC A 4 N3 - C2 - O2 ANGL. DEV. = -5.1 DEGREES REMARK 500 DC A 4 N3 - C4 - N4 ANGL. DEV. = 4.9 DEGREES REMARK 500 DA A 3 C3' - O3' - P ANGL. DEV. = 9.9 DEGREES REMARK 500 DT A 5 OP1 - P - OP2 ANGL. DEV. = -10.6 DEGREES REMARK 500 DT A 5 O4' - C1' - C2' ANGL. DEV. = -5.7 DEGREES REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = 6.1 DEGREES REMARK 500 DT A 5 N1 - C2 - N3 ANGL. DEV. = 4.4 DEGREES REMARK 500 DT A 5 C2 - N3 - C4 ANGL. DEV. = -5.3 DEGREES REMARK 500 DT A 5 C5 - C4 - O4 ANGL. DEV. = -5.2 DEGREES REMARK 500 DA A 6 OP1 - P - OP2 ANGL. DEV. = -10.3 DEGREES REMARK 500 DA A 6 N1 - C2 - N3 ANGL. DEV. = -6.6 DEGREES REMARK 500 DA A 6 C2 - N3 - C4 ANGL. DEV. = 7.6 DEGREES REMARK 500 DA A 6 N3 - C4 - C5 ANGL. DEV. = -7.6 DEGREES REMARK 500 DA A 6 C4 - C5 - C6 ANGL. DEV. = 5.9 DEGREES REMARK 500 DA A 6 C4 - C5 - N7 ANGL. DEV. = -5.4 DEGREES REMARK 500 DA A 6 C5 - N7 - C8 ANGL. DEV. = 5.9 DEGREES REMARK 500 DA A 6 N3 - C4 - N9 ANGL. DEV. = 6.7 DEGREES REMARK 500 DA A 6 N1 - C6 - N6 ANGL. DEV. = 4.1 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 173 ANGLE DEVIATIONS. 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 3B5 A 101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3B5 B 101 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19889 RELATED DB: BMRB REMARK 900 RELATED ID: 2MND RELATED DB: PDB REMARK 900 RELATED ID: 2MNF RELATED DB: PDB DBREF 2MNE A 1 10 PDB 2MNE 2MNE 1 10 DBREF 2MNE B 11 20 PDB 2MNE 2MNE 11 20 SEQRES 1 A 10 DC DG DA DC DT DA DG DT DC DG SEQRES 1 B 10 DC DG DA DC DT DA DG DT DC DG HET 3B5 A 101 82 HET 3B5 B 101 82 HETNAM 3B5 AIK-18/51 HETSYN 3B5 N,N-DIMETHYL-3-[({2-[({1-METHYL-4-[({1-METHYL-4- HETSYN 2 3B5 [(PYRIDIN-3-YLCARBONYL)AMINO]-1H-PYRROL-2- HETSYN 3 3B5 YL}CARBONYL)AMINO]-1H-PYRROL-2-YL}CARBONYL)AMINO]-5- HETSYN 4 3B5 (PROPAN-2-YL)-1,3-THIAZOL-4-YL}CARBONYL)AMINO]PROPAN- HETSYN 5 3B5 1-AMINIUM FORMUL 3 3B5 2(C30 H38 N9 O4 S 1+) SITE *** AC1 8 DC A 4 DT A 5 DA A 6 DG A 7 SITE *** AC1 8 DT A 8 DC A 9 DC B 14 3B5 B 101 SITE *** AC2 11 DG A 2 DA A 3 DC A 4 DG A 7 SITE *** AC2 11 3B5 A 101 DC B 14 DT B 15 DA B 16 SITE *** AC2 11 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 5 DT C7 :methyl 150:sc=-0.000803 (180deg=-0.000803) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.0139) USER MOD Single : A 10 DG O3' : rot 180:sc= 0 USER MOD Single : B 11 DC O5' : rot 29:sc= 0.0316 USER MOD Single : B 15 DT C7 :methyl 150:sc= -0.049 (180deg=-0.049) USER MOD Single : B 18 DT C7 :methyl 150:sc=-0.00781 (180deg=-0.00781) USER MOD Single : B 20 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -12.372 15.836 5.034 1.00 0.00 O ATOM 2 C5' DC A 1 -11.288 15.438 4.177 1.00 0.00 C ATOM 3 C4' DC A 1 -10.220 14.720 5.036 1.00 0.00 C ATOM 4 O4' DC A 1 -10.724 13.497 5.593 1.00 0.00 O ATOM 5 C3' DC A 1 -8.990 14.233 4.235 1.00 0.00 C ATOM 6 O3' DC A 1 -7.985 15.253 4.140 1.00 0.00 O ATOM 7 C2' DC A 1 -8.526 12.981 5.023 1.00 0.00 C ATOM 8 C1' DC A 1 -9.596 12.787 6.123 1.00 0.00 C ATOM 9 N1 DC A 1 -9.799 11.365 6.392 1.00 0.00 N ATOM 10 C2 DC A 1 -8.834 10.667 7.025 1.00 0.00 C ATOM 11 O2 DC A 1 -7.801 11.182 7.423 1.00 0.00 O ATOM 12 N3 DC A 1 -8.990 9.253 7.263 1.00 0.00 N ATOM 13 C4 DC A 1 -10.027 8.619 6.892 1.00 0.00 C ATOM 14 N4 DC A 1 -10.174 7.340 7.102 1.00 0.00 N ATOM 15 C5 DC A 1 -11.074 9.409 6.202 1.00 0.00 C ATOM 16 C6 DC A 1 -10.921 10.724 5.980 1.00 0.00 C ATOM 0 H5' DC A 1 -10.855 16.309 3.685 1.00 0.00 H new ATOM 0 H5'' DC A 1 -11.650 14.775 3.391 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.955 15.477 5.774 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.211 13.997 3.194 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.462 12.107 4.375 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.537 13.130 5.455 1.00 0.00 H new ATOM 0 HO5' DC A 1 -13.057 16.294 4.504 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.339 13.175 7.109 1.00 0.00 H new ATOM 0 H41 DC A 1 -11.021 6.866 6.789 1.00 0.00 H new ATOM 0 H42 DC A 1 -9.442 6.814 7.579 1.00 0.00 H new ATOM 0 H5 DC A 1 -11.977 8.917 5.872 1.00 0.00 H new ATOM 0 H6 DC A 1 -11.697 11.275 5.470 1.00 0.00 H new ATOM 29 P DG A 2 -6.560 15.056 3.432 1.00 0.00 P ATOM 30 OP1 DG A 2 -5.973 16.391 3.129 1.00 0.00 O ATOM 31 OP2 DG A 2 -6.732 14.291 2.165 1.00 0.00 O ATOM 32 O5' DG A 2 -5.572 14.257 4.407 1.00 0.00 O ATOM 33 C5' DG A 2 -5.128 14.782 5.665 1.00 0.00 C ATOM 34 C4' DG A 2 -4.306 13.703 6.408 1.00 0.00 C ATOM 35 O4' DG A 2 -5.125 12.535 6.576 1.00 0.00 O ATOM 36 C3' DG A 2 -3.059 13.218 5.617 1.00 0.00 C ATOM 37 O3' DG A 2 -1.913 13.330 6.477 1.00 0.00 O ATOM 38 C2' DG A 2 -3.395 11.742 5.302 1.00 0.00 C ATOM 39 C1' DG A 2 -4.285 11.376 6.502 1.00 0.00 C ATOM 40 N9 DG A 2 -5.114 10.198 6.299 1.00 0.00 N ATOM 41 C8 DG A 2 -6.082 10.088 5.434 1.00 0.00 C ATOM 42 N7 DG A 2 -6.649 8.969 5.558 1.00 0.00 N ATOM 43 C5 DG A 2 -6.012 8.235 6.614 1.00 0.00 C ATOM 44 C6 DG A 2 -6.161 6.948 7.286 1.00 0.00 C ATOM 45 O6 DG A 2 -7.068 6.199 6.963 1.00 0.00 O ATOM 46 N1 DG A 2 -5.247 6.685 8.258 1.00 0.00 N ATOM 47 C2 DG A 2 -4.254 7.561 8.607 1.00 0.00 C ATOM 48 N2 DG A 2 -3.414 7.210 9.545 1.00 0.00 N ATOM 49 N3 DG A 2 -4.152 8.700 8.038 1.00 0.00 N ATOM 50 C4 DG A 2 -5.059 9.085 6.988 1.00 0.00 C ATOM 0 H5' DG A 2 -5.984 15.083 6.269 1.00 0.00 H new ATOM 0 H5'' DG A 2 -4.521 15.673 5.506 1.00 0.00 H new ATOM 0 H4' DG A 2 -3.985 14.161 7.343 1.00 0.00 H new ATOM 0 H3' DG A 2 -2.836 13.783 4.712 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.919 11.633 4.352 1.00 0.00 H new ATOM 0 H2'' DG A 2 -2.502 11.119 5.247 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.696 11.135 7.387 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.358 10.845 4.715 1.00 0.00 H new ATOM 0 H1 DG A 2 -5.304 5.793 8.750 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.666 7.845 9.823 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.507 6.301 9.999 1.00 0.00 H new ATOM 62 P DA A 3 -0.430 12.824 6.152 1.00 0.00 P ATOM 63 OP1 DA A 3 0.548 13.535 7.023 1.00 0.00 O ATOM 64 OP2 DA A 3 -0.113 13.090 4.721 1.00 0.00 O ATOM 65 O5' DA A 3 -0.353 11.252 6.435 1.00 0.00 O ATOM 66 C5' DA A 3 -0.342 10.643 7.731 1.00 0.00 C ATOM 67 C4' DA A 3 -0.380 9.108 7.547 1.00 0.00 C ATOM 68 O4' DA A 3 -1.657 8.750 6.988 1.00 0.00 O ATOM 69 C3' DA A 3 0.675 8.625 6.513 1.00 0.00 C ATOM 70 O3' DA A 3 1.330 7.422 6.936 1.00 0.00 O ATOM 71 C2' DA A 3 -0.205 8.262 5.299 1.00 0.00 C ATOM 72 C1' DA A 3 -1.452 7.710 6.026 1.00 0.00 C ATOM 73 N9 DA A 3 -2.653 7.484 5.228 1.00 0.00 N ATOM 74 C8 DA A 3 -3.084 8.187 4.212 1.00 0.00 C ATOM 75 N7 DA A 3 -4.151 7.701 3.732 1.00 0.00 N ATOM 76 C5 DA A 3 -4.498 6.603 4.413 1.00 0.00 C ATOM 77 C6 DA A 3 -5.558 5.713 4.267 1.00 0.00 C ATOM 78 N6 DA A 3 -6.494 5.857 3.303 1.00 0.00 N ATOM 79 N1 DA A 3 -5.582 4.695 5.156 1.00 0.00 N ATOM 80 C2 DA A 3 -4.664 4.589 6.147 1.00 0.00 C ATOM 81 N3 DA A 3 -3.607 5.429 6.255 1.00 0.00 N ATOM 82 C4 DA A 3 -3.527 6.459 5.392 1.00 0.00 C ATOM 0 H5' DA A 3 -1.200 10.977 8.315 1.00 0.00 H new ATOM 0 H5'' DA A 3 0.552 10.937 8.281 1.00 0.00 H new ATOM 0 H4' DA A 3 -0.188 8.657 8.521 1.00 0.00 H new ATOM 0 H3' DA A 3 1.450 9.372 6.343 1.00 0.00 H new ATOM 0 H2' DA A 3 -0.434 9.127 4.677 1.00 0.00 H new ATOM 0 H2'' DA A 3 0.263 7.520 4.652 1.00 0.00 H new ATOM 0 H1' DA A 3 -1.279 6.701 6.401 1.00 0.00 H new ATOM 0 H8 DA A 3 -2.592 9.070 3.831 1.00 0.00 H new ATOM 0 H61 DA A 3 -7.256 5.184 3.228 1.00 0.00 H new ATOM 0 H62 DA A 3 -6.438 6.639 2.651 1.00 0.00 H new ATOM 0 H2 DA A 3 -4.780 3.804 6.880 1.00 0.00 H new ATOM 94 P DC A 4 2.404 7.202 8.102 1.00 0.00 P ATOM 95 OP1 DC A 4 1.816 7.496 9.439 1.00 0.00 O ATOM 96 OP2 DC A 4 3.602 8.056 7.869 1.00 0.00 O ATOM 97 O5' DC A 4 2.803 5.655 8.032 1.00 0.00 O ATOM 98 C5' DC A 4 3.605 5.065 7.001 1.00 0.00 C ATOM 99 C4' DC A 4 3.274 3.557 6.994 1.00 0.00 C ATOM 100 O4' DC A 4 1.861 3.488 6.736 1.00 0.00 O ATOM 101 C3' DC A 4 3.972 2.773 5.853 1.00 0.00 C ATOM 102 O3' DC A 4 4.330 1.466 6.329 1.00 0.00 O ATOM 103 C2' DC A 4 2.865 2.664 4.787 1.00 0.00 C ATOM 104 C1' DC A 4 1.600 2.576 5.662 1.00 0.00 C ATOM 105 N1 DC A 4 0.394 2.991 4.941 1.00 0.00 N ATOM 106 C2 DC A 4 -0.539 2.091 4.560 1.00 0.00 C ATOM 107 O2 DC A 4 -0.443 0.897 4.791 1.00 0.00 O ATOM 108 N3 DC A 4 -1.717 2.522 3.844 1.00 0.00 N ATOM 109 C4 DC A 4 -1.914 3.741 3.539 1.00 0.00 C ATOM 110 N4 DC A 4 -2.965 4.146 2.881 1.00 0.00 N ATOM 111 C5 DC A 4 -0.878 4.704 3.964 1.00 0.00 C ATOM 112 C6 DC A 4 0.208 4.300 4.638 1.00 0.00 C ATOM 0 H5' DC A 4 4.665 5.228 7.194 1.00 0.00 H new ATOM 0 H5'' DC A 4 3.384 5.515 6.033 1.00 0.00 H new ATOM 0 H4' DC A 4 3.603 3.119 7.936 1.00 0.00 H new ATOM 0 H3' DC A 4 4.882 3.243 5.481 1.00 0.00 H new ATOM 0 H2' DC A 4 2.846 3.530 4.126 1.00 0.00 H new ATOM 0 H2'' DC A 4 2.989 1.784 4.156 1.00 0.00 H new ATOM 0 H1' DC A 4 1.411 1.553 5.987 1.00 0.00 H new ATOM 0 H41 DC A 4 -3.078 5.135 2.660 1.00 0.00 H new ATOM 0 H42 DC A 4 -3.673 3.473 2.588 1.00 0.00 H new ATOM 0 H5 DC A 4 -0.997 5.751 3.728 1.00 0.00 H new ATOM 0 H6 DC A 4 0.945 5.027 4.944 1.00 0.00 H new ATOM 124 P DT A 5 5.607 1.228 7.269 1.00 0.00 P ATOM 125 OP1 DT A 5 5.279 0.294 8.383 1.00 0.00 O ATOM 126 OP2 DT A 5 6.077 2.521 7.842 1.00 0.00 O ATOM 127 O5' DT A 5 6.761 0.625 6.339 1.00 0.00 O ATOM 128 C5' DT A 5 7.049 -0.758 6.096 1.00 0.00 C ATOM 129 C4' DT A 5 5.754 -1.554 5.795 1.00 0.00 C ATOM 130 O4' DT A 5 4.880 -0.840 4.912 1.00 0.00 O ATOM 131 C3' DT A 5 5.975 -2.919 5.089 1.00 0.00 C ATOM 132 O3' DT A 5 5.804 -3.989 6.033 1.00 0.00 O ATOM 133 C2' DT A 5 4.901 -2.918 3.970 1.00 0.00 C ATOM 134 C1' DT A 5 3.940 -1.795 4.401 1.00 0.00 C ATOM 135 N1 DT A 5 3.113 -1.299 3.301 1.00 0.00 N ATOM 136 C2 DT A 5 1.905 -1.876 3.081 1.00 0.00 C ATOM 137 O2 DT A 5 1.529 -2.833 3.739 1.00 0.00 O ATOM 138 N3 DT A 5 1.106 -1.375 2.117 1.00 0.00 N ATOM 139 C4 DT A 5 1.481 -0.332 1.355 1.00 0.00 C ATOM 140 O4 DT A 5 0.738 0.151 0.517 1.00 0.00 O ATOM 141 C5 DT A 5 2.830 0.229 1.546 1.00 0.00 C ATOM 142 C7 DT A 5 3.355 1.347 0.677 1.00 0.00 C ATOM 143 C6 DT A 5 3.580 -0.291 2.524 1.00 0.00 C ATOM 0 H5' DT A 5 7.549 -1.186 6.965 1.00 0.00 H new ATOM 0 H5'' DT A 5 7.738 -0.847 5.256 1.00 0.00 H new ATOM 0 H4' DT A 5 5.336 -1.705 6.790 1.00 0.00 H new ATOM 0 H3' DT A 5 6.975 -3.061 4.680 1.00 0.00 H new ATOM 0 H2' DT A 5 5.339 -2.719 2.992 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.391 -3.879 3.901 1.00 0.00 H new ATOM 0 H1' DT A 5 3.177 -2.089 5.122 1.00 0.00 H new ATOM 0 H3 DT A 5 0.191 -1.799 1.961 1.00 0.00 H new ATOM 0 H71 DT A 5 4.058 1.953 1.249 1.00 0.00 H new ATOM 0 H72 DT A 5 3.862 0.926 -0.191 1.00 0.00 H new ATOM 0 H73 DT A 5 2.525 1.970 0.345 1.00 0.00 H new ATOM 0 H6 DT A 5 4.572 0.098 2.697 1.00 0.00 H new ATOM 156 P DA A 6 6.045 -5.543 5.725 1.00 0.00 P ATOM 157 OP1 DA A 6 6.022 -6.309 7.002 1.00 0.00 O ATOM 158 OP2 DA A 6 7.373 -5.714 5.073 1.00 0.00 O ATOM 159 O5' DA A 6 4.907 -6.104 4.750 1.00 0.00 O ATOM 160 C5' DA A 6 3.579 -6.417 5.184 1.00 0.00 C ATOM 161 C4' DA A 6 2.710 -6.738 3.948 1.00 0.00 C ATOM 162 O4' DA A 6 2.606 -5.554 3.146 1.00 0.00 O ATOM 163 C3' DA A 6 3.304 -7.830 3.020 1.00 0.00 C ATOM 164 O3' DA A 6 2.380 -8.929 2.949 1.00 0.00 O ATOM 165 C2' DA A 6 3.475 -7.089 1.671 1.00 0.00 C ATOM 166 C1' DA A 6 2.446 -5.941 1.779 1.00 0.00 C ATOM 167 N9 DA A 6 2.682 -4.761 0.951 1.00 0.00 N ATOM 168 C8 DA A 6 3.817 -4.133 0.776 1.00 0.00 C ATOM 169 N7 DA A 6 3.675 -3.115 0.035 1.00 0.00 N ATOM 170 C5 DA A 6 2.394 -2.996 -0.331 1.00 0.00 C ATOM 171 C6 DA A 6 1.734 -2.047 -1.107 1.00 0.00 C ATOM 172 N6 DA A 6 2.375 -0.981 -1.634 1.00 0.00 N ATOM 173 N1 DA A 6 0.411 -2.261 -1.280 1.00 0.00 N ATOM 174 C2 DA A 6 -0.226 -3.301 -0.687 1.00 0.00 C ATOM 175 N3 DA A 6 0.422 -4.225 0.061 1.00 0.00 N ATOM 176 C4 DA A 6 1.745 -4.072 0.255 1.00 0.00 C ATOM 0 H5' DA A 6 3.155 -5.577 5.735 1.00 0.00 H new ATOM 0 H5'' DA A 6 3.596 -7.269 5.864 1.00 0.00 H new ATOM 0 H4' DA A 6 1.758 -7.098 4.338 1.00 0.00 H new ATOM 0 H3' DA A 6 4.248 -8.261 3.353 1.00 0.00 H new ATOM 0 H2' DA A 6 4.490 -6.712 1.542 1.00 0.00 H new ATOM 0 H2'' DA A 6 3.267 -7.740 0.822 1.00 0.00 H new ATOM 0 H1' DA A 6 1.468 -6.290 1.447 1.00 0.00 H new ATOM 0 H8 DA A 6 4.757 -4.443 1.209 1.00 0.00 H new ATOM 0 H61 DA A 6 1.861 -0.304 -2.198 1.00 0.00 H new ATOM 0 H62 DA A 6 3.373 -0.853 -1.468 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.294 -3.396 -0.817 1.00 0.00 H new ATOM 188 P DG A 7 2.571 -10.276 2.105 1.00 0.00 P ATOM 189 OP1 DG A 7 1.640 -11.322 2.614 1.00 0.00 O ATOM 190 OP2 DG A 7 3.977 -10.753 2.225 1.00 0.00 O ATOM 191 O5' DG A 7 2.234 -9.961 0.575 1.00 0.00 O ATOM 192 C5' DG A 7 0.898 -9.738 0.111 1.00 0.00 C ATOM 193 C4' DG A 7 0.963 -9.103 -1.294 1.00 0.00 C ATOM 194 O4' DG A 7 1.655 -7.851 -1.213 1.00 0.00 O ATOM 195 C3' DG A 7 1.761 -9.925 -2.335 1.00 0.00 C ATOM 196 O3' DG A 7 0.840 -10.640 -3.174 1.00 0.00 O ATOM 197 C2' DG A 7 2.593 -8.843 -3.074 1.00 0.00 C ATOM 198 C1' DG A 7 2.056 -7.492 -2.537 1.00 0.00 C ATOM 199 N9 DG A 7 3.049 -6.424 -2.461 1.00 0.00 N ATOM 200 C8 DG A 7 4.206 -6.500 -1.864 1.00 0.00 C ATOM 201 N7 DG A 7 4.824 -5.407 -1.969 1.00 0.00 N ATOM 202 C5 DG A 7 4.015 -4.478 -2.705 1.00 0.00 C ATOM 203 C6 DG A 7 4.110 -3.095 -3.166 1.00 0.00 C ATOM 204 O6 DG A 7 5.103 -2.430 -2.921 1.00 0.00 O ATOM 205 N1 DG A 7 3.034 -2.644 -3.859 1.00 0.00 N ATOM 206 C2 DG A 7 1.922 -3.405 -4.102 1.00 0.00 C ATOM 207 N2 DG A 7 0.939 -2.860 -4.769 1.00 0.00 N ATOM 208 N3 DG A 7 1.848 -4.615 -3.694 1.00 0.00 N ATOM 209 C4 DG A 7 2.934 -5.213 -2.958 1.00 0.00 C ATOM 0 H5' DG A 7 0.364 -9.082 0.798 1.00 0.00 H new ATOM 0 H5'' DG A 7 0.348 -10.678 0.076 1.00 0.00 H new ATOM 0 H4' DG A 7 -0.076 -9.028 -1.614 1.00 0.00 H new ATOM 0 H3' DG A 7 2.415 -10.695 -1.926 1.00 0.00 H new ATOM 0 H2' DG A 7 3.658 -8.955 -2.869 1.00 0.00 H new ATOM 0 H2'' DG A 7 2.467 -8.917 -4.154 1.00 0.00 H new ATOM 0 H1' DG A 7 1.284 -7.087 -3.191 1.00 0.00 H new ATOM 0 H8 DG A 7 4.581 -7.374 -1.353 1.00 0.00 H new ATOM 0 H1 DG A 7 3.055 -1.689 -4.217 1.00 0.00 H new ATOM 0 H21 DG A 7 0.096 -3.399 -4.967 1.00 0.00 H new ATOM 0 H22 DG A 7 1.015 -1.895 -5.091 1.00 0.00 H new ATOM 221 P DT A 8 1.170 -11.416 -4.536 1.00 0.00 P ATOM 222 OP1 DT A 8 0.113 -12.430 -4.809 1.00 0.00 O ATOM 223 OP2 DT A 8 2.504 -12.072 -4.447 1.00 0.00 O ATOM 224 O5' DT A 8 1.167 -10.311 -5.693 1.00 0.00 O ATOM 225 C5' DT A 8 -0.014 -9.555 -5.987 1.00 0.00 C ATOM 226 C4' DT A 8 0.376 -8.238 -6.687 1.00 0.00 C ATOM 227 O4' DT A 8 1.361 -7.556 -5.905 1.00 0.00 O ATOM 228 C3' DT A 8 1.117 -8.388 -8.027 1.00 0.00 C ATOM 229 O3' DT A 8 0.198 -8.694 -9.084 1.00 0.00 O ATOM 230 C2' DT A 8 1.788 -6.999 -8.165 1.00 0.00 C ATOM 231 C1' DT A 8 1.899 -6.496 -6.702 1.00 0.00 C ATOM 232 N1 DT A 8 3.259 -6.157 -6.280 1.00 0.00 N ATOM 233 C2 DT A 8 3.644 -4.856 -6.250 1.00 0.00 C ATOM 234 O2 DT A 8 2.908 -3.962 -6.637 1.00 0.00 O ATOM 235 N3 DT A 8 4.869 -4.551 -5.773 1.00 0.00 N ATOM 236 C4 DT A 8 5.731 -5.492 -5.347 1.00 0.00 C ATOM 237 O4 DT A 8 6.829 -5.212 -4.891 1.00 0.00 O ATOM 238 C5 DT A 8 5.324 -6.902 -5.453 1.00 0.00 C ATOM 239 C7 DT A 8 6.266 -8.001 -5.024 1.00 0.00 C ATOM 240 C6 DT A 8 4.100 -7.159 -5.929 1.00 0.00 C ATOM 0 H5' DT A 8 -0.560 -9.342 -5.068 1.00 0.00 H new ATOM 0 H5'' DT A 8 -0.680 -10.135 -6.626 1.00 0.00 H new ATOM 0 H4' DT A 8 -0.584 -7.741 -6.823 1.00 0.00 H new ATOM 0 H3' DT A 8 1.838 -9.204 -8.074 1.00 0.00 H new ATOM 0 H2' DT A 8 2.767 -7.073 -8.638 1.00 0.00 H new ATOM 0 H2'' DT A 8 1.189 -6.324 -8.776 1.00 0.00 H new ATOM 0 H1' DT A 8 1.356 -5.557 -6.592 1.00 0.00 H new ATOM 0 H3 DT A 8 5.152 -3.572 -5.734 1.00 0.00 H new ATOM 0 H71 DT A 8 7.296 -7.677 -5.174 1.00 0.00 H new ATOM 0 H72 DT A 8 6.106 -8.226 -3.969 1.00 0.00 H new ATOM 0 H73 DT A 8 6.077 -8.895 -5.618 1.00 0.00 H new ATOM 0 H6 DT A 8 3.777 -8.184 -6.035 1.00 0.00 H new ATOM 253 P DC A 9 0.651 -8.803 -10.614 1.00 0.00 P ATOM 254 OP1 DC A 9 -0.503 -9.223 -11.457 1.00 0.00 O ATOM 255 OP2 DC A 9 1.754 -9.797 -10.735 1.00 0.00 O ATOM 256 O5' DC A 9 1.163 -7.364 -11.089 1.00 0.00 O ATOM 257 C5' DC A 9 1.838 -7.111 -12.324 1.00 0.00 C ATOM 258 C4' DC A 9 2.200 -5.610 -12.383 1.00 0.00 C ATOM 259 O4' DC A 9 2.933 -5.300 -11.187 1.00 0.00 O ATOM 260 C3' DC A 9 3.144 -5.286 -13.570 1.00 0.00 C ATOM 261 O3' DC A 9 2.684 -4.092 -14.222 1.00 0.00 O ATOM 262 C2' DC A 9 4.507 -5.082 -12.876 1.00 0.00 C ATOM 263 C1' DC A 9 4.077 -4.498 -11.516 1.00 0.00 C ATOM 264 N1 DC A 9 5.091 -4.647 -10.469 1.00 0.00 N ATOM 265 C2 DC A 9 5.853 -3.602 -10.075 1.00 0.00 C ATOM 266 O2 DC A 9 5.759 -2.487 -10.560 1.00 0.00 O ATOM 267 N3 DC A 9 6.841 -3.771 -9.035 1.00 0.00 N ATOM 268 C4 DC A 9 7.033 -4.890 -8.463 1.00 0.00 C ATOM 269 N4 DC A 9 7.925 -5.057 -7.526 1.00 0.00 N ATOM 270 C5 DC A 9 6.195 -6.021 -8.917 1.00 0.00 C ATOM 271 C6 DC A 9 5.284 -5.856 -9.886 1.00 0.00 C ATOM 0 H5' DC A 9 1.201 -7.381 -13.166 1.00 0.00 H new ATOM 0 H5'' DC A 9 2.738 -7.721 -12.396 1.00 0.00 H new ATOM 0 H4' DC A 9 1.277 -5.040 -12.493 1.00 0.00 H new ATOM 0 H3' DC A 9 3.190 -6.053 -14.343 1.00 0.00 H new ATOM 0 H2' DC A 9 5.055 -6.018 -12.765 1.00 0.00 H new ATOM 0 H2'' DC A 9 5.151 -4.399 -13.430 1.00 0.00 H new ATOM 0 H1' DC A 9 3.897 -3.425 -11.579 1.00 0.00 H new ATOM 0 H41 DC A 9 8.045 -5.973 -7.094 1.00 0.00 H new ATOM 0 H42 DC A 9 8.502 -4.271 -7.225 1.00 0.00 H new ATOM 0 H5 DC A 9 6.319 -6.992 -8.462 1.00 0.00 H new ATOM 0 H6 DC A 9 4.693 -6.701 -10.208 1.00 0.00 H new ATOM 283 P DG A 10 3.378 -3.433 -15.506 1.00 0.00 P ATOM 284 OP1 DG A 10 2.380 -2.603 -16.238 1.00 0.00 O ATOM 285 OP2 DG A 10 3.883 -4.504 -16.410 1.00 0.00 O ATOM 286 O5' DG A 10 4.599 -2.513 -15.038 1.00 0.00 O ATOM 287 C5' DG A 10 4.421 -1.201 -14.494 1.00 0.00 C ATOM 288 C4' DG A 10 5.796 -0.641 -14.070 1.00 0.00 C ATOM 289 O4' DG A 10 6.332 -1.433 -13.001 1.00 0.00 O ATOM 290 C3' DG A 10 6.875 -0.706 -15.190 1.00 0.00 C ATOM 291 O3' DG A 10 7.352 0.609 -15.525 1.00 0.00 O ATOM 292 C2' DG A 10 8.024 -1.508 -14.529 1.00 0.00 C ATOM 293 C1' DG A 10 7.753 -1.273 -13.031 1.00 0.00 C ATOM 294 N9 DG A 10 8.416 -2.216 -12.143 1.00 0.00 N ATOM 295 C8 DG A 10 8.181 -3.494 -12.049 1.00 0.00 C ATOM 296 N7 DG A 10 8.914 -4.003 -11.157 1.00 0.00 N ATOM 297 C5 DG A 10 9.734 -2.977 -10.577 1.00 0.00 C ATOM 298 C6 DG A 10 10.759 -2.850 -9.541 1.00 0.00 C ATOM 299 O6 DG A 10 11.112 -3.828 -8.903 1.00 0.00 O ATOM 300 N1 DG A 10 11.256 -1.596 -9.366 1.00 0.00 N ATOM 301 C2 DG A 10 10.835 -0.510 -10.087 1.00 0.00 C ATOM 302 N2 DG A 10 11.363 0.658 -9.835 1.00 0.00 N ATOM 303 N3 DG A 10 9.940 -0.632 -10.988 1.00 0.00 N ATOM 304 C4 DG A 10 9.342 -1.911 -11.268 1.00 0.00 C ATOM 0 H5' DG A 10 3.749 -1.237 -13.637 1.00 0.00 H new ATOM 0 H5'' DG A 10 3.960 -0.546 -15.233 1.00 0.00 H new ATOM 0 H4' DG A 10 5.605 0.397 -13.800 1.00 0.00 H new ATOM 0 H3' DG A 10 6.492 -1.148 -16.110 1.00 0.00 H new ATOM 0 H2' DG A 10 7.987 -2.566 -14.790 1.00 0.00 H new ATOM 0 H2'' DG A 10 9.005 -1.140 -14.830 1.00 0.00 H new ATOM 0 HO3' DG A 10 8.030 0.541 -16.229 1.00 0.00 H new ATOM 0 H1' DG A 10 8.133 -0.316 -12.673 1.00 0.00 H new ATOM 0 H8 DG A 10 7.464 -4.038 -12.647 1.00 0.00 H new ATOM 0 H1 DG A 10 11.980 -1.457 -8.661 1.00 0.00 H new ATOM 0 H21 DG A 10 11.062 1.478 -10.362 1.00 0.00 H new ATOM 0 H22 DG A 10 12.076 0.750 -9.112 1.00 0.00 H new TER 317 DG A 10 ATOM 318 O5' DC B 11 18.143 1.137 -3.058 1.00 0.00 O ATOM 319 C5' DC B 11 18.491 1.890 -4.223 1.00 0.00 C ATOM 320 C4' DC B 11 17.254 1.999 -5.146 1.00 0.00 C ATOM 321 O4' DC B 11 16.717 0.702 -5.441 1.00 0.00 O ATOM 322 C3' DC B 11 16.054 2.741 -4.504 1.00 0.00 C ATOM 323 O3' DC B 11 16.063 4.128 -4.875 1.00 0.00 O ATOM 324 C2' DC B 11 14.818 1.966 -5.033 1.00 0.00 C ATOM 325 C1' DC B 11 15.409 0.909 -5.991 1.00 0.00 C ATOM 326 N1 DC B 11 14.560 -0.280 -6.037 1.00 0.00 N ATOM 327 C2 DC B 11 13.447 -0.278 -6.800 1.00 0.00 C ATOM 328 O2 DC B 11 13.121 0.676 -7.488 1.00 0.00 O ATOM 329 N3 DC B 11 12.580 -1.430 -6.830 1.00 0.00 N ATOM 330 C4 DC B 11 12.818 -2.472 -6.142 1.00 0.00 C ATOM 331 N4 DC B 11 12.036 -3.515 -6.161 1.00 0.00 N ATOM 332 C5 DC B 11 14.039 -2.444 -5.304 1.00 0.00 C ATOM 333 C6 DC B 11 14.844 -1.370 -5.282 1.00 0.00 C ATOM 0 H5' DC B 11 19.313 1.406 -4.751 1.00 0.00 H new ATOM 0 H5'' DC B 11 18.836 2.884 -3.939 1.00 0.00 H new ATOM 0 H4' DC B 11 17.631 2.535 -6.017 1.00 0.00 H new ATOM 0 H3' DC B 11 16.071 2.754 -3.414 1.00 0.00 H new ATOM 0 H2' DC B 11 14.264 1.499 -4.219 1.00 0.00 H new ATOM 0 H2'' DC B 11 14.125 2.629 -5.551 1.00 0.00 H new ATOM 0 HO5' DC B 11 17.434 0.498 -3.281 1.00 0.00 H new ATOM 0 H1' DC B 11 15.464 1.203 -7.039 1.00 0.00 H new ATOM 0 H41 DC B 11 12.262 -4.332 -5.594 1.00 0.00 H new ATOM 0 H42 DC B 11 11.198 -3.514 -6.743 1.00 0.00 H new ATOM 0 H5 DC B 11 14.286 -3.304 -4.699 1.00 0.00 H new ATOM 0 H6 DC B 11 15.725 -1.374 -4.658 1.00 0.00 H new ATOM 346 P DG B 12 14.978 5.208 -4.401 1.00 0.00 P ATOM 347 OP1 DG B 12 15.500 6.579 -4.662 1.00 0.00 O ATOM 348 OP2 DG B 12 14.720 5.048 -2.942 1.00 0.00 O ATOM 349 O5' DG B 12 13.612 5.000 -5.209 1.00 0.00 O ATOM 350 C5' DG B 12 13.471 5.324 -6.598 1.00 0.00 C ATOM 351 C4' DG B 12 12.093 4.843 -7.112 1.00 0.00 C ATOM 352 O4' DG B 12 11.972 3.423 -6.972 1.00 0.00 O ATOM 353 C3' DG B 12 10.881 5.400 -6.316 1.00 0.00 C ATOM 354 O3' DG B 12 10.191 6.449 -7.016 1.00 0.00 O ATOM 355 C2' DG B 12 9.991 4.155 -6.061 1.00 0.00 C ATOM 356 C1' DG B 12 10.576 3.104 -7.025 1.00 0.00 C ATOM 357 N9 DG B 12 10.383 1.726 -6.597 1.00 0.00 N ATOM 358 C8 DG B 12 10.962 1.156 -5.578 1.00 0.00 C ATOM 359 N7 DG B 12 10.626 -0.057 -5.513 1.00 0.00 N ATOM 360 C5 DG B 12 9.736 -0.358 -6.599 1.00 0.00 C ATOM 361 C6 DG B 12 9.018 -1.514 -7.129 1.00 0.00 C ATOM 362 O6 DG B 12 9.142 -2.605 -6.595 1.00 0.00 O ATOM 363 N1 DG B 12 8.245 -1.273 -8.221 1.00 0.00 N ATOM 364 C2 DG B 12 8.146 -0.040 -8.809 1.00 0.00 C ATOM 365 N2 DG B 12 7.373 0.092 -9.854 1.00 0.00 N ATOM 366 N3 DG B 12 8.798 0.960 -8.356 1.00 0.00 N ATOM 367 C4 DG B 12 9.643 0.827 -7.196 1.00 0.00 C ATOM 0 H5' DG B 12 14.268 4.853 -7.173 1.00 0.00 H new ATOM 0 H5'' DG B 12 13.567 6.400 -6.741 1.00 0.00 H new ATOM 0 H4' DG B 12 12.065 5.195 -8.143 1.00 0.00 H new ATOM 0 H3' DG B 12 11.185 5.880 -5.386 1.00 0.00 H new ATOM 0 H2' DG B 12 10.046 3.825 -5.023 1.00 0.00 H new ATOM 0 H2'' DG B 12 8.942 4.359 -6.275 1.00 0.00 H new ATOM 0 H1' DG B 12 10.102 3.147 -8.006 1.00 0.00 H new ATOM 0 H8 DG B 12 11.632 1.651 -4.890 1.00 0.00 H new ATOM 0 H1 DG B 12 7.714 -2.047 -8.621 1.00 0.00 H new ATOM 0 H21 DG B 12 7.282 1.000 -10.310 1.00 0.00 H new ATOM 0 H22 DG B 12 6.860 -0.713 -10.214 1.00 0.00 H new ATOM 379 P DA B 13 9.380 6.468 -8.400 1.00 0.00 P ATOM 380 OP1 DA B 13 10.213 6.001 -9.543 1.00 0.00 O ATOM 381 OP2 DA B 13 8.950 7.868 -8.671 1.00 0.00 O ATOM 382 O5' DA B 13 8.071 5.555 -8.291 1.00 0.00 O ATOM 383 C5' DA B 13 7.232 5.257 -9.413 1.00 0.00 C ATOM 384 C4' DA B 13 6.003 4.463 -8.917 1.00 0.00 C ATOM 385 O4' DA B 13 6.452 3.264 -8.266 1.00 0.00 O ATOM 386 C3' DA B 13 5.189 5.240 -7.843 1.00 0.00 C ATOM 387 O3' DA B 13 3.778 5.180 -8.101 1.00 0.00 O ATOM 388 C2' DA B 13 5.476 4.439 -6.558 1.00 0.00 C ATOM 389 C1' DA B 13 5.591 3.019 -7.148 1.00 0.00 C ATOM 390 N9 DA B 13 6.161 1.975 -6.311 1.00 0.00 N ATOM 391 C8 DA B 13 6.910 2.100 -5.245 1.00 0.00 C ATOM 392 N7 DA B 13 7.220 0.968 -4.765 1.00 0.00 N ATOM 393 C5 DA B 13 6.666 -0.003 -5.500 1.00 0.00 C ATOM 394 C6 DA B 13 6.698 -1.390 -5.395 1.00 0.00 C ATOM 395 N6 DA B 13 7.394 -2.021 -4.423 1.00 0.00 N ATOM 396 N1 DA B 13 5.989 -2.053 -6.337 1.00 0.00 N ATOM 397 C2 DA B 13 5.288 -1.409 -7.304 1.00 0.00 C ATOM 398 N3 DA B 13 5.282 -0.061 -7.417 1.00 0.00 N ATOM 399 C4 DA B 13 5.970 0.649 -6.504 1.00 0.00 C ATOM 0 H5' DA B 13 7.783 4.677 -10.153 1.00 0.00 H new ATOM 0 H5'' DA B 13 6.914 6.178 -9.902 1.00 0.00 H new ATOM 0 H4' DA B 13 5.381 4.273 -9.792 1.00 0.00 H new ATOM 0 H3' DA B 13 5.461 6.295 -7.807 1.00 0.00 H new ATOM 0 H2' DA B 13 6.392 4.760 -6.063 1.00 0.00 H new ATOM 0 H2'' DA B 13 4.672 4.523 -5.827 1.00 0.00 H new ATOM 0 H1' DA B 13 4.597 2.614 -7.340 1.00 0.00 H new ATOM 0 H8 DA B 13 7.224 3.046 -4.828 1.00 0.00 H new ATOM 0 H61 DA B 13 7.395 -3.040 -4.376 1.00 0.00 H new ATOM 0 H62 DA B 13 7.918 -1.478 -3.737 1.00 0.00 H new ATOM 0 H2 DA B 13 4.715 -1.993 -8.008 1.00 0.00 H new ATOM 411 P DC B 14 3.037 5.834 -9.360 1.00 0.00 P ATOM 412 OP1 DC B 14 3.087 4.925 -10.539 1.00 0.00 O ATOM 413 OP2 DC B 14 3.705 7.120 -9.707 1.00 0.00 O ATOM 414 O5' DC B 14 1.507 6.138 -9.006 1.00 0.00 O ATOM 415 C5' DC B 14 0.820 5.838 -7.786 1.00 0.00 C ATOM 416 C4' DC B 14 0.631 4.316 -7.570 1.00 0.00 C ATOM 417 O4' DC B 14 1.807 3.629 -7.127 1.00 0.00 O ATOM 418 C3' DC B 14 -0.319 4.021 -6.390 1.00 0.00 C ATOM 419 O3' DC B 14 -1.682 4.396 -6.653 1.00 0.00 O ATOM 420 C2' DC B 14 -0.059 2.523 -6.131 1.00 0.00 C ATOM 421 C1' DC B 14 1.403 2.339 -6.624 1.00 0.00 C ATOM 422 N1 DC B 14 2.340 1.909 -5.582 1.00 0.00 N ATOM 423 C2 DC B 14 2.735 0.620 -5.485 1.00 0.00 C ATOM 424 O2 DC B 14 2.308 -0.270 -6.200 1.00 0.00 O ATOM 425 N3 DC B 14 3.710 0.225 -4.499 1.00 0.00 N ATOM 426 C4 DC B 14 4.220 1.056 -3.684 1.00 0.00 C ATOM 427 N4 DC B 14 5.133 0.715 -2.817 1.00 0.00 N ATOM 428 C5 DC B 14 3.725 2.449 -3.767 1.00 0.00 C ATOM 429 C6 DC B 14 2.823 2.810 -4.692 1.00 0.00 C ATOM 0 H5' DC B 14 -0.155 6.324 -7.793 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.378 6.254 -6.947 1.00 0.00 H new ATOM 0 H4' DC B 14 0.287 3.989 -8.551 1.00 0.00 H new ATOM 0 H3' DC B 14 -0.131 4.616 -5.496 1.00 0.00 H new ATOM 0 H2' DC B 14 -0.165 2.270 -5.076 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.755 1.890 -6.682 1.00 0.00 H new ATOM 0 H1' DC B 14 1.427 1.547 -7.372 1.00 0.00 H new ATOM 0 H41 DC B 14 5.517 1.413 -2.180 1.00 0.00 H new ATOM 0 H42 DC B 14 5.463 -0.249 -2.776 1.00 0.00 H new ATOM 0 H5 DC B 14 4.096 3.187 -3.071 1.00 0.00 H new ATOM 0 H6 DC B 14 2.477 3.832 -4.728 1.00 0.00 H new ATOM 441 P DT B 15 -2.711 4.004 -7.819 1.00 0.00 P ATOM 442 OP1 DT B 15 -2.049 3.923 -9.150 1.00 0.00 O ATOM 443 OP2 DT B 15 -3.743 5.077 -7.890 1.00 0.00 O ATOM 444 O5' DT B 15 -3.429 2.607 -7.507 1.00 0.00 O ATOM 445 C5' DT B 15 -4.788 2.535 -7.055 1.00 0.00 C ATOM 446 C4' DT B 15 -5.142 1.059 -6.752 1.00 0.00 C ATOM 447 O4' DT B 15 -4.083 0.521 -5.947 1.00 0.00 O ATOM 448 C3' DT B 15 -6.443 0.941 -5.923 1.00 0.00 C ATOM 449 O3' DT B 15 -7.123 -0.269 -6.289 1.00 0.00 O ATOM 450 C2' DT B 15 -5.911 0.915 -4.473 1.00 0.00 C ATOM 451 C1' DT B 15 -4.574 0.160 -4.648 1.00 0.00 C ATOM 452 N1 DT B 15 -3.519 0.493 -3.682 1.00 0.00 N ATOM 453 C2 DT B 15 -3.041 -0.453 -2.832 1.00 0.00 C ATOM 454 O2 DT B 15 -3.515 -1.578 -2.796 1.00 0.00 O ATOM 455 N3 DT B 15 -2.008 -0.141 -2.017 1.00 0.00 N ATOM 456 C4 DT B 15 -1.463 1.092 -1.997 1.00 0.00 C ATOM 457 O4 DT B 15 -0.520 1.391 -1.282 1.00 0.00 O ATOM 458 C5 DT B 15 -2.026 2.123 -2.876 1.00 0.00 C ATOM 459 C7 DT B 15 -1.475 3.531 -2.838 1.00 0.00 C ATOM 460 C6 DT B 15 -3.019 1.755 -3.693 1.00 0.00 C ATOM 0 H5' DT B 15 -5.459 2.934 -7.815 1.00 0.00 H new ATOM 0 H5'' DT B 15 -4.920 3.145 -6.161 1.00 0.00 H new ATOM 0 H4' DT B 15 -5.274 0.532 -7.697 1.00 0.00 H new ATOM 0 H3' DT B 15 -7.169 1.740 -6.074 1.00 0.00 H new ATOM 0 H2' DT B 15 -5.766 1.918 -4.071 1.00 0.00 H new ATOM 0 H2'' DT B 15 -6.590 0.396 -3.796 1.00 0.00 H new ATOM 0 H1' DT B 15 -4.788 -0.899 -4.501 1.00 0.00 H new ATOM 0 H3 DT B 15 -1.630 -0.859 -1.399 1.00 0.00 H new ATOM 0 H71 DT B 15 -1.582 3.990 -3.821 1.00 0.00 H new ATOM 0 H72 DT B 15 -2.025 4.117 -2.102 1.00 0.00 H new ATOM 0 H73 DT B 15 -0.420 3.502 -2.564 1.00 0.00 H new ATOM 0 H6 DT B 15 -3.433 2.480 -4.378 1.00 0.00 H new ATOM 473 P DA B 16 -8.538 -0.720 -5.690 1.00 0.00 P ATOM 474 OP1 DA B 16 -9.210 -1.651 -6.639 1.00 0.00 O ATOM 475 OP2 DA B 16 -9.402 0.474 -5.470 1.00 0.00 O ATOM 476 O5' DA B 16 -8.288 -1.462 -4.297 1.00 0.00 O ATOM 477 C5' DA B 16 -7.833 -2.816 -4.227 1.00 0.00 C ATOM 478 C4' DA B 16 -7.429 -3.118 -2.770 1.00 0.00 C ATOM 479 O4' DA B 16 -6.403 -2.212 -2.359 1.00 0.00 O ATOM 480 C3' DA B 16 -8.556 -2.922 -1.726 1.00 0.00 C ATOM 481 O3' DA B 16 -9.104 -4.212 -1.412 1.00 0.00 O ATOM 482 C2' DA B 16 -7.835 -2.220 -0.541 1.00 0.00 C ATOM 483 C1' DA B 16 -6.340 -2.272 -0.932 1.00 0.00 C ATOM 484 N9 DA B 16 -5.512 -1.164 -0.477 1.00 0.00 N ATOM 485 C8 DA B 16 -5.700 0.109 -0.708 1.00 0.00 C ATOM 486 N7 DA B 16 -4.750 0.808 -0.244 1.00 0.00 N ATOM 487 C5 DA B 16 -3.837 0.011 0.325 1.00 0.00 C ATOM 488 C6 DA B 16 -2.609 0.275 0.926 1.00 0.00 C ATOM 489 N6 DA B 16 -2.103 1.525 1.010 1.00 0.00 N ATOM 490 N1 DA B 16 -1.961 -0.808 1.411 1.00 0.00 N ATOM 491 C2 DA B 16 -2.479 -2.058 1.309 1.00 0.00 C ATOM 492 N3 DA B 16 -3.660 -2.314 0.701 1.00 0.00 N ATOM 493 C4 DA B 16 -4.343 -1.272 0.197 1.00 0.00 C ATOM 0 H5' DA B 16 -6.985 -2.966 -4.895 1.00 0.00 H new ATOM 0 H5'' DA B 16 -8.619 -3.498 -4.552 1.00 0.00 H new ATOM 0 H4' DA B 16 -7.131 -4.166 -2.788 1.00 0.00 H new ATOM 0 H3' DA B 16 -9.406 -2.320 -2.048 1.00 0.00 H new ATOM 0 H2' DA B 16 -8.180 -1.194 -0.415 1.00 0.00 H new ATOM 0 H2'' DA B 16 -8.020 -2.736 0.401 1.00 0.00 H new ATOM 0 H1' DA B 16 -5.877 -3.148 -0.479 1.00 0.00 H new ATOM 0 H8 DA B 16 -6.556 0.513 -1.228 1.00 0.00 H new ATOM 0 H61 DA B 16 -1.200 1.681 1.458 1.00 0.00 H new ATOM 0 H62 DA B 16 -2.624 2.313 0.626 1.00 0.00 H new ATOM 0 H2 DA B 16 -1.925 -2.883 1.731 1.00 0.00 H new ATOM 505 P DG B 17 -10.184 -4.560 -0.284 1.00 0.00 P ATOM 506 OP1 DG B 17 -10.833 -5.863 -0.601 1.00 0.00 O ATOM 507 OP2 DG B 17 -11.211 -3.483 -0.204 1.00 0.00 O ATOM 508 O5' DG B 17 -9.399 -4.680 1.104 1.00 0.00 O ATOM 509 C5' DG B 17 -8.390 -5.676 1.310 1.00 0.00 C ATOM 510 C4' DG B 17 -7.614 -5.337 2.601 1.00 0.00 C ATOM 511 O4' DG B 17 -7.001 -4.052 2.396 1.00 0.00 O ATOM 512 C3' DG B 17 -8.519 -5.201 3.852 1.00 0.00 C ATOM 513 O3' DG B 17 -7.856 -5.844 4.951 1.00 0.00 O ATOM 514 C2' DG B 17 -8.595 -3.672 4.043 1.00 0.00 C ATOM 515 C1' DG B 17 -7.187 -3.252 3.569 1.00 0.00 C ATOM 516 N9 DG B 17 -7.005 -1.846 3.225 1.00 0.00 N ATOM 517 C8 DG B 17 -7.901 -1.027 2.743 1.00 0.00 C ATOM 518 N7 DG B 17 -7.398 0.114 2.566 1.00 0.00 N ATOM 519 C5 DG B 17 -6.021 0.087 2.966 1.00 0.00 C ATOM 520 C6 DG B 17 -4.898 1.015 3.032 1.00 0.00 C ATOM 521 O6 DG B 17 -5.040 2.170 2.668 1.00 0.00 O ATOM 522 N1 DG B 17 -3.744 0.495 3.524 1.00 0.00 N ATOM 523 C2 DG B 17 -3.612 -0.814 3.902 1.00 0.00 C ATOM 524 N2 DG B 17 -2.441 -1.218 4.317 1.00 0.00 N ATOM 525 N3 DG B 17 -4.602 -1.620 3.842 1.00 0.00 N ATOM 526 C4 DG B 17 -5.885 -1.177 3.358 1.00 0.00 C ATOM 0 H5' DG B 17 -7.711 -5.707 0.458 1.00 0.00 H new ATOM 0 H5'' DG B 17 -8.845 -6.663 1.391 1.00 0.00 H new ATOM 0 H4' DG B 17 -6.910 -6.149 2.784 1.00 0.00 H new ATOM 0 H3' DG B 17 -9.508 -5.653 3.770 1.00 0.00 H new ATOM 0 H2' DG B 17 -9.385 -3.219 3.444 1.00 0.00 H new ATOM 0 H2'' DG B 17 -8.782 -3.394 5.080 1.00 0.00 H new ATOM 0 H1' DG B 17 -6.474 -3.396 4.381 1.00 0.00 H new ATOM 0 H8 DG B 17 -8.926 -1.290 2.527 1.00 0.00 H new ATOM 0 H1 DG B 17 -2.936 1.110 3.616 1.00 0.00 H new ATOM 0 H21 DG B 17 -2.309 -2.187 4.606 1.00 0.00 H new ATOM 0 H22 DG B 17 -1.659 -0.564 4.352 1.00 0.00 H new ATOM 538 P DT B 18 -8.377 -5.854 6.463 1.00 0.00 P ATOM 539 OP1 DT B 18 -7.811 -7.032 7.179 1.00 0.00 O ATOM 540 OP2 DT B 18 -9.865 -5.923 6.483 1.00 0.00 O ATOM 541 O5' DT B 18 -7.891 -4.506 7.173 1.00 0.00 O ATOM 542 C5' DT B 18 -6.543 -4.286 7.603 1.00 0.00 C ATOM 543 C4' DT B 18 -6.426 -2.866 8.202 1.00 0.00 C ATOM 544 O4' DT B 18 -6.516 -1.884 7.151 1.00 0.00 O ATOM 545 C3' DT B 18 -7.599 -2.545 9.173 1.00 0.00 C ATOM 546 O3' DT B 18 -7.115 -2.002 10.409 1.00 0.00 O ATOM 547 C2' DT B 18 -8.361 -1.449 8.399 1.00 0.00 C ATOM 548 C1' DT B 18 -7.195 -0.735 7.676 1.00 0.00 C ATOM 549 N1 DT B 18 -7.446 0.265 6.627 1.00 0.00 N ATOM 550 C2 DT B 18 -6.392 0.999 6.185 1.00 0.00 C ATOM 551 O2 DT B 18 -5.266 0.814 6.621 1.00 0.00 O ATOM 552 N3 DT B 18 -6.592 1.953 5.250 1.00 0.00 N ATOM 553 C4 DT B 18 -7.802 2.182 4.707 1.00 0.00 C ATOM 554 O4 DT B 18 -7.982 3.037 3.856 1.00 0.00 O ATOM 555 C5 DT B 18 -8.931 1.357 5.167 1.00 0.00 C ATOM 556 C7 DT B 18 -10.312 1.554 4.582 1.00 0.00 C ATOM 557 C6 DT B 18 -8.692 0.442 6.115 1.00 0.00 C ATOM 0 H5' DT B 18 -5.858 -4.397 6.762 1.00 0.00 H new ATOM 0 H5'' DT B 18 -6.259 -5.032 8.346 1.00 0.00 H new ATOM 0 H4' DT B 18 -5.472 -2.833 8.729 1.00 0.00 H new ATOM 0 H3' DT B 18 -8.192 -3.421 9.435 1.00 0.00 H new ATOM 0 H2' DT B 18 -9.086 -1.866 7.700 1.00 0.00 H new ATOM 0 H2'' DT B 18 -8.907 -0.779 9.063 1.00 0.00 H new ATOM 0 H1' DT B 18 -6.682 -0.072 8.372 1.00 0.00 H new ATOM 0 H3 DT B 18 -5.800 2.519 4.945 1.00 0.00 H new ATOM 0 H71 DT B 18 -10.854 0.608 4.601 1.00 0.00 H new ATOM 0 H72 DT B 18 -10.854 2.295 5.170 1.00 0.00 H new ATOM 0 H73 DT B 18 -10.225 1.901 3.552 1.00 0.00 H new ATOM 0 H6 DT B 18 -9.506 -0.167 6.480 1.00 0.00 H new ATOM 570 P DC B 19 -6.306 -2.852 11.498 1.00 0.00 P ATOM 571 OP1 DC B 19 -5.820 -4.129 10.905 1.00 0.00 O ATOM 572 OP2 DC B 19 -7.188 -3.157 12.660 1.00 0.00 O ATOM 573 O5' DC B 19 -5.064 -1.957 11.957 1.00 0.00 O ATOM 574 C5' DC B 19 -4.990 -1.186 13.160 1.00 0.00 C ATOM 575 C4' DC B 19 -3.776 -0.236 13.023 1.00 0.00 C ATOM 576 O4' DC B 19 -3.933 0.480 11.786 1.00 0.00 O ATOM 577 C3' DC B 19 -3.735 0.838 14.134 1.00 0.00 C ATOM 578 O3' DC B 19 -2.369 1.238 14.323 1.00 0.00 O ATOM 579 C2' DC B 19 -4.576 1.971 13.511 1.00 0.00 C ATOM 580 C1' DC B 19 -4.138 1.881 12.033 1.00 0.00 C ATOM 581 N1 DC B 19 -5.117 2.396 11.071 1.00 0.00 N ATOM 582 C2 DC B 19 -4.916 3.559 10.411 1.00 0.00 C ATOM 583 O2 DC B 19 -3.928 4.257 10.570 1.00 0.00 O ATOM 584 N3 DC B 19 -5.889 4.035 9.456 1.00 0.00 N ATOM 585 C4 DC B 19 -6.955 3.389 9.200 1.00 0.00 C ATOM 586 N4 DC B 19 -7.837 3.797 8.331 1.00 0.00 N ATOM 587 C5 DC B 19 -7.158 2.126 9.940 1.00 0.00 C ATOM 588 C6 DC B 19 -6.249 1.691 10.823 1.00 0.00 C ATOM 0 H5' DC B 19 -4.873 -1.836 14.027 1.00 0.00 H new ATOM 0 H5'' DC B 19 -5.908 -0.618 13.309 1.00 0.00 H new ATOM 0 H4' DC B 19 -2.871 -0.840 13.078 1.00 0.00 H new ATOM 0 H3' DC B 19 -4.108 0.525 15.109 1.00 0.00 H new ATOM 0 H2' DC B 19 -5.646 1.807 13.635 1.00 0.00 H new ATOM 0 H2'' DC B 19 -4.350 2.943 13.950 1.00 0.00 H new ATOM 0 H1' DC B 19 -3.252 2.500 11.892 1.00 0.00 H new ATOM 0 H41 DC B 19 -8.677 3.245 8.159 1.00 0.00 H new ATOM 0 H42 DC B 19 -7.687 4.669 7.823 1.00 0.00 H new ATOM 0 H5 DC B 19 -8.052 1.545 9.767 1.00 0.00 H new ATOM 0 H6 DC B 19 -6.421 0.762 11.347 1.00 0.00 H new ATOM 600 P DG B 20 -1.875 2.349 15.364 1.00 0.00 P ATOM 601 OP1 DG B 20 -0.410 2.201 15.592 1.00 0.00 O ATOM 602 OP2 DG B 20 -2.595 2.169 16.655 1.00 0.00 O ATOM 603 O5' DG B 20 -2.182 3.810 14.787 1.00 0.00 O ATOM 604 C5' DG B 20 -1.333 4.515 13.876 1.00 0.00 C ATOM 605 C4' DG B 20 -2.007 5.848 13.479 1.00 0.00 C ATOM 606 O4' DG B 20 -3.188 5.592 12.707 1.00 0.00 O ATOM 607 C3' DG B 20 -2.510 6.691 14.688 1.00 0.00 C ATOM 608 O3' DG B 20 -1.860 7.975 14.723 1.00 0.00 O ATOM 609 C2' DG B 20 -4.015 6.895 14.380 1.00 0.00 C ATOM 610 C1' DG B 20 -4.047 6.729 12.849 1.00 0.00 C ATOM 611 N9 DG B 20 -5.360 6.468 12.276 1.00 0.00 N ATOM 612 C8 DG B 20 -6.100 5.415 12.477 1.00 0.00 C ATOM 613 N7 DG B 20 -7.157 5.489 11.795 1.00 0.00 N ATOM 614 C5 DG B 20 -7.151 6.714 11.047 1.00 0.00 C ATOM 615 C6 DG B 20 -8.008 7.415 10.092 1.00 0.00 C ATOM 616 O6 DG B 20 -9.065 6.918 9.736 1.00 0.00 O ATOM 617 N1 DG B 20 -7.536 8.614 9.661 1.00 0.00 N ATOM 618 C2 DG B 20 -6.341 9.146 10.068 1.00 0.00 C ATOM 619 N2 DG B 20 -5.972 10.304 9.588 1.00 0.00 N ATOM 620 N3 DG B 20 -5.597 8.523 10.897 1.00 0.00 N ATOM 621 C4 DG B 20 -5.992 7.244 11.429 1.00 0.00 C ATOM 0 H5' DG B 20 -1.149 3.909 12.989 1.00 0.00 H new ATOM 0 H5'' DG B 20 -0.364 4.707 14.338 1.00 0.00 H new ATOM 0 H4' DG B 20 -1.232 6.393 12.939 1.00 0.00 H new ATOM 0 H3' DG B 20 -2.312 6.206 15.644 1.00 0.00 H new ATOM 0 H2' DG B 20 -4.639 6.158 14.885 1.00 0.00 H new ATOM 0 H2'' DG B 20 -4.367 7.878 14.692 1.00 0.00 H new ATOM 0 HO3' DG B 20 -2.192 8.489 15.489 1.00 0.00 H new ATOM 0 H1' DG B 20 -3.752 7.637 12.323 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.844 4.596 13.134 1.00 0.00 H new ATOM 0 H1 DG B 20 -8.101 9.146 8.999 1.00 0.00 H new ATOM 0 H21 DG B 20 -5.086 10.717 9.878 1.00 0.00 H new ATOM 0 H22 DG B 20 -6.570 10.794 8.923 1.00 0.00 H new TER 634 DG B 20 HETATM 635 C10 3B5 A 101 -1.158 -6.789 3.097 1.00 0.00 C HETATM 636 C8 3B5 A 101 -0.512 -5.395 4.741 1.00 0.00 C HETATM 637 C6 3B5 A 101 0.533 -4.271 6.494 1.00 0.00 C HETATM 638 C3 3B5 A 101 2.188 -2.961 7.869 1.00 0.00 C HETATM 639 C1 3B5 A 101 1.915 -0.592 8.217 1.00 0.00 C HETATM 640 C4 3B5 A 101 1.004 -2.976 7.125 1.00 0.00 C HETATM 641 C5 3B5 A 101 0.289 -1.780 6.997 1.00 0.00 C HETATM 642 C11 3B5 A 101 -0.761 -6.666 5.265 1.00 0.00 C HETATM 643 N12 3B5 A 101 -1.092 -7.492 4.251 1.00 0.00 N HETATM 644 C12 3B5 A 101 -1.185 -8.942 4.370 1.00 0.00 C HETATM 645 C13 3B5 A 101 -1.597 -7.355 1.760 1.00 0.00 C HETATM 646 C15 3B5 A 101 -1.901 -7.147 -0.551 1.00 0.00 C HETATM 647 C17 3B5 A 101 -2.268 -7.244 -2.773 1.00 0.00 C HETATM 648 N21 3B5 A 101 -1.709 -5.950 -4.790 1.00 0.00 N HETATM 649 C20 3B5 A 101 -2.412 -6.868 -4.235 1.00 0.00 C HETATM 650 C25 3B5 A 101 -3.002 -5.299 -9.772 1.00 0.00 C HETATM 651 C27 3B5 A 101 -2.129 -6.245 -10.572 1.00 0.00 C HETATM 652 C28 3B5 A 101 -0.471 -3.726 -8.773 1.00 0.00 C HETATM 653 C32 3B5 A 101 2.540 -0.651 -10.345 1.00 0.00 C HETATM 654 C31 3B5 A 101 1.441 -1.271 -9.430 1.00 0.00 C HETATM 655 C19 3B5 A 101 -3.343 -9.502 -2.919 1.00 0.00 C HETATM 656 C22 3B5 A 101 -1.877 -5.532 -5.990 1.00 0.00 C HETATM 657 C23 3B5 A 101 -1.377 -4.520 -7.910 1.00 0.00 C HETATM 658 C24 3B5 A 101 -2.440 -5.203 -8.368 1.00 0.00 C HETATM 659 C34 3B5 A 101 3.855 1.294 -11.016 1.00 0.00 C HETATM 660 N33 3B5 A 101 2.723 0.832 -10.199 1.00 0.00 N HETATM 661 C35 3B5 A 101 1.591 1.508 -10.491 1.00 0.00 C HETATM 662 C30 3B5 A 101 1.576 -2.812 -9.329 1.00 0.00 C HETATM 663 N29 3B5 A 101 0.679 -3.380 -8.327 1.00 0.00 N HETATM 664 O28 3B5 A 101 -0.835 -3.440 -9.903 1.00 0.00 O HETATM 665 N22 3B5 A 101 -1.118 -4.605 -6.591 1.00 0.00 N HETATM 666 C26 3B5 A 101 -4.445 -5.767 -9.765 1.00 0.00 C HETATM 667 S22 3B5 A 101 -3.072 -6.038 -7.069 1.00 0.00 S HETATM 668 O20 3B5 A 101 -3.266 -7.486 -4.850 1.00 0.00 O HETATM 669 N19 3B5 A 101 -2.818 -8.341 -2.207 1.00 0.00 N HETATM 670 C18 3B5 A 101 -2.670 -8.272 -0.868 1.00 0.00 C HETATM 671 C16 3B5 A 101 -1.612 -6.523 -1.771 1.00 0.00 C HETATM 672 N14 3B5 A 101 -1.500 -6.696 0.665 1.00 0.00 N HETATM 673 O13 3B5 A 101 -2.056 -8.483 1.788 1.00 0.00 O HETATM 674 C9 3B5 A 101 -0.768 -5.475 3.370 1.00 0.00 C HETATM 675 N7 3B5 A 101 -0.094 -4.278 5.379 1.00 0.00 N HETATM 676 O6 3B5 A 101 0.803 -5.303 7.087 1.00 0.00 O HETATM 677 N1 3B5 A 101 0.766 -0.628 7.513 1.00 0.00 N HETATM 678 C2 3B5 A 101 2.641 -1.766 8.433 1.00 0.00 C HETATM 717 C10 3B5 B 101 -4.835 -5.689 -2.056 1.00 0.00 C HETATM 718 C8 3B5 B 101 -4.173 -4.527 -3.868 1.00 0.00 C HETATM 719 C6 3B5 B 101 -3.868 -3.230 -5.785 1.00 0.00 C HETATM 720 C3 3B5 B 101 -3.414 -2.076 -7.965 1.00 0.00 C HETATM 721 C1 3B5 B 101 -1.731 -0.373 -8.197 1.00 0.00 C HETATM 722 C4 3B5 B 101 -3.073 -2.236 -6.616 1.00 0.00 C HETATM 723 C5 3B5 B 101 -2.020 -1.449 -6.122 1.00 0.00 C HETATM 724 C11 3B5 B 101 -5.136 -5.472 -4.233 1.00 0.00 C HETATM 725 N12 3B5 B 101 -5.534 -6.135 -3.125 1.00 0.00 N HETATM 726 C12 3B5 B 101 -6.636 -7.089 -3.083 1.00 0.00 C HETATM 727 C13 3B5 B 101 -4.942 -6.227 -0.640 1.00 0.00 C HETATM 728 C15 3B5 B 101 -4.335 -6.131 1.613 1.00 0.00 C HETATM 729 C17 3B5 B 101 -4.077 -6.158 3.841 1.00 0.00 C HETATM 730 N21 3B5 B 101 -3.570 -4.543 5.583 1.00 0.00 N HETATM 731 C20 3B5 B 101 -3.634 -5.772 5.236 1.00 0.00 C HETATM 732 C25 3B5 B 101 -1.467 -3.800 10.279 1.00 0.00 C HETATM 733 C27 3B5 B 101 -2.458 -4.336 11.288 1.00 0.00 C HETATM 734 C28 3B5 B 101 -2.764 -1.304 8.874 1.00 0.00 C HETATM 735 C32 3B5 B 101 -1.002 2.603 8.163 1.00 0.00 C HETATM 736 C31 3B5 B 101 -2.505 2.240 7.982 1.00 0.00 C HETATM 737 C19 3B5 B 101 -5.218 -8.304 4.380 1.00 0.00 C HETATM 738 C22 3B5 B 101 -3.087 -4.119 6.688 1.00 0.00 C HETATM 739 C23 3B5 B 101 -2.637 -2.651 8.284 1.00 0.00 C HETATM 740 C24 3B5 B 101 -2.122 -3.717 8.917 1.00 0.00 C HETATM 741 C34 3B5 B 101 -0.835 4.888 9.086 1.00 0.00 C HETATM 742 N33 3B5 B 101 -0.738 3.431 9.384 1.00 0.00 N HETATM 743 C35 3B5 B 101 0.589 3.129 9.984 1.00 0.00 C HETATM 744 C30 3B5 B 101 -2.923 0.994 8.816 1.00 0.00 C HETATM 745 N29 3B5 B 101 -2.708 -0.269 8.121 1.00 0.00 N HETATM 746 O28 3B5 B 101 -2.954 -1.244 10.079 1.00 0.00 O HETATM 747 N22 3B5 B 101 -3.091 -2.826 7.033 1.00 0.00 N HETATM 748 C26 3B5 B 101 -0.199 -4.695 10.224 1.00 0.00 C HETATM 749 S22 3B5 B 101 -2.351 -5.030 7.908 1.00 0.00 S HETATM 750 O20 3B5 B 101 -3.336 -6.691 5.982 1.00 0.00 O HETATM 751 N19 3B5 B 101 -4.607 -7.343 3.470 1.00 0.00 N HETATM 752 C18 3B5 B 101 -4.707 -7.379 2.123 1.00 0.00 C HETATM 753 C16 3B5 B 101 -3.957 -5.352 2.709 1.00 0.00 C HETATM 754 N14 3B5 B 101 -4.303 -5.694 0.331 1.00 0.00 N HETATM 755 O13 3B5 B 101 -5.666 -7.191 -0.463 1.00 0.00 O HETATM 756 C9 3B5 B 101 -3.998 -4.659 -2.489 1.00 0.00 C HETATM 757 N7 3B5 B 101 -3.487 -3.647 -4.636 1.00 0.00 N HETATM 758 O6 3B5 B 101 -4.917 -3.622 -6.268 1.00 0.00 O HETATM 759 N1 3B5 B 101 -1.351 -0.595 -6.923 1.00 0.00 N HETATM 760 C2 3B5 B 101 -2.753 -1.138 -8.760 1.00 0.00 C CONECT 635 643 645 674 CONECT 636 642 674 675 CONECT 637 640 675 676 CONECT 638 640 678 679 CONECT 639 677 678 680 CONECT 640 637 638 641 CONECT 641 640 677 681 CONECT 642 636 643 682 CONECT 643 635 642 644 CONECT 644 643 683 684 685 CONECT 645 635 672 673 CONECT 646 670 671 672 CONECT 647 649 669 671 CONECT 648 649 656 686 CONECT 649 647 648 668 CONECT 650 651 658 666 687 CONECT 651 650 688 689 690 CONECT 652 657 663 664 CONECT 653 654 660 691 692 CONECT 654 653 662 693 694 CONECT 655 669 695 696 697 CONECT 656 648 665 667 CONECT 657 652 658 665 CONECT 658 650 657 667 CONECT 659 660 698 699 700 CONECT 660 653 659 661 716 CONECT 661 660 701 702 703 CONECT 662 654 663 704 705 CONECT 663 652 662 706 CONECT 664 652 CONECT 665 656 657 CONECT 666 650 707 708 709 CONECT 667 656 658 CONECT 668 649 CONECT 669 647 655 670 CONECT 670 646 669 710 CONECT 671 646 647 711 CONECT 672 645 646 712 CONECT 673 645 CONECT 674 635 636 713 CONECT 675 636 637 714 CONECT 676 637 CONECT 677 639 641 CONECT 678 638 639 715 CONECT 679 638 CONECT 680 639 CONECT 681 641 CONECT 682 642 CONECT 683 644 CONECT 684 644 CONECT 685 644 CONECT 686 648 CONECT 687 650 CONECT 688 651 CONECT 689 651 CONECT 690 651 CONECT 691 653 CONECT 692 653 CONECT 693 654 CONECT 694 654 CONECT 695 655 CONECT 696 655 CONECT 697 655 CONECT 698 659 CONECT 699 659 CONECT 700 659 CONECT 701 661 CONECT 702 661 CONECT 703 661 CONECT 704 662 CONECT 705 662 CONECT 706 663 CONECT 707 666 CONECT 708 666 CONECT 709 666 CONECT 710 670 CONECT 711 671 CONECT 712 672 CONECT 713 674 CONECT 714 675 CONECT 715 678 CONECT 716 660 CONECT 717 725 727 756 CONECT 718 724 756 757 CONECT 719 722 757 758 CONECT 720 722 760 761 CONECT 721 759 760 762 CONECT 722 719 720 723 CONECT 723 722 759 763 CONECT 724 718 725 764 CONECT 725 717 724 726 CONECT 726 725 765 766 767 CONECT 727 717 754 755 CONECT 728 752 753 754 CONECT 729 731 751 753 CONECT 730 731 738 768 CONECT 731 729 730 750 CONECT 732 733 740 748 769 CONECT 733 732 770 771 772 CONECT 734 739 745 746 CONECT 735 736 742 773 774 CONECT 736 735 744 775 776 CONECT 737 751 777 778 779 CONECT 738 730 747 749 CONECT 739 734 740 747 CONECT 740 732 739 749 CONECT 741 742 780 781 782 CONECT 742 735 741 743 798 CONECT 743 742 783 784 785 CONECT 744 736 745 786 787 CONECT 745 734 744 788 CONECT 746 734 CONECT 747 738 739 CONECT 748 732 789 790 791 CONECT 749 738 740 CONECT 750 731 CONECT 751 729 737 752 CONECT 752 728 751 792 CONECT 753 728 729 793 CONECT 754 727 728 794 CONECT 755 727 CONECT 756 717 718 795 CONECT 757 718 719 796 CONECT 758 719 CONECT 759 721 723 CONECT 760 720 721 797 CONECT 761 720 CONECT 762 721 CONECT 763 723 CONECT 764 724 CONECT 765 726 CONECT 766 726 CONECT 767 726 CONECT 768 730 CONECT 769 732 CONECT 770 733 CONECT 771 733 CONECT 772 733 CONECT 773 735 CONECT 774 735 CONECT 775 736 CONECT 776 736 CONECT 777 737 CONECT 778 737 CONECT 779 737 CONECT 780 741 CONECT 781 741 CONECT 782 741 CONECT 783 743 CONECT 784 743 CONECT 785 743 CONECT 786 744 CONECT 787 744 CONECT 788 745 CONECT 789 748 CONECT 790 748 CONECT 791 748 CONECT 792 752 CONECT 793 753 CONECT 794 754 CONECT 795 756 CONECT 796 757 CONECT 797 760 CONECT 798 742 END