USER MOD reduce.3.24.130724 H: found=0, std=0, add=192, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 208 hydrogens (24 hets) HEADER DNA 11-SEP-97 1AU6 TITLE SOLUTION STRUCTURE OF DNA D(CATGCATG) INTERSTRAND- TITLE 2 CROSSLINKED BY BISPLATIN COMPOUND (1,1/T,T), NMR, TITLE 3 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: BISPLATINUM COMPOUND (1,1/T,T) INTERSTRAND- COMPND 6 CROSSLINKED DNA OCTAMER SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS BISPLATINUM COMPOUND (1,1/T,T), DNA, INTERSTRAND CROSSLINK, KEYWDS 2 DUMBBELL STRUCTURE, DEOXYRIBONUCLEIC ACID EXPDTA SOLUTION NMR AUTHOR D.YANG,S.S.G.E.VAN BOOM,J.REEDIJK,J.H.VAN BOOM,N.FARRELL, AUTHOR 2 A.H.-J.WANG REVDAT 3 24-FEB-09 1AU6 1 VERSN REVDAT 2 01-APR-03 1AU6 1 JRNL REVDAT 1 25-FEB-98 1AU6 0 JRNL AUTH D.YANG,S.S.VAN BOOM,J.REEDIJK,J.H.VAN BOOM, JRNL AUTH 2 N.FARRELL,A.H.WANG JRNL TITL A NOVEL DNA STRUCTURE INDUCED BY THE ANTICANCER JRNL TITL 2 BISPLATINUM COMPOUND CROSSLINKED TO A GPC SITE IN JRNL TITL 3 DNA. JRNL REF NAT.STRUCT.BIOL. V. 2 577 1995 JRNL REFN ISSN 1072-8368 JRNL PMID 7664126 JRNL DOI 10.1038/NSB0795-577 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.YANG REMARK 1 REF THESIS 1996 REMARK 1 PUBL URBANA : UNIVERSITY OF ILLINOIS AT REMARK 1 PUBL 2 URBANA-CHAMPAIGN (THESIS) REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH D.YANG,A.H.WANG REMARK 1 TITL STRUCTURAL STUDIES OF INTERACTIONS BETWEEN REMARK 1 TITL 2 ANTICANCER PLATINUM DRUGS AND DNA REMARK 1 REF PROG.BIOPHYS.MOL.BIOL. V. 66 81 1996 REMARK 1 REFN ISSN 0079-6107 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1AU6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 275 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : 150 MM NACL REMARK 210 PRESSURE : 1 ATM SOLVENT SYSTEM : H2O/D2O REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D1HNOESY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : VXR500 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR, QUANTA REMARK 210 METHOD USED : NOE-RESTRAINED REFINEMENT REMARK 210 SPEDREF REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 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 DT A 3 C5 DT A 3 C7 0.041 REMARK 500 DG A 4 C8 DG A 4 N9 -0.053 REMARK 500 DC A 5 C5' DC A 5 C4' 0.100 REMARK 500 DC A 5 C5 DC A 5 C6 0.053 REMARK 500 DA A 6 C3' DA A 6 C2' -0.052 REMARK 500 DA A 6 N9 DA A 6 C4 -0.040 REMARK 500 DT A 7 C5 DT A 7 C7 0.044 REMARK 500 DT B 11 C5 DT B 11 C7 0.042 REMARK 500 DG B 12 C8 DG B 12 N9 -0.053 REMARK 500 DC B 13 C5' DC B 13 C4' 0.100 REMARK 500 DC B 13 C5 DC B 13 C6 0.053 REMARK 500 DA B 14 C3' DA B 14 C2' -0.052 REMARK 500 DA B 14 N9 DA B 14 C4 -0.040 REMARK 500 DT B 15 C5 DT B 15 C7 0.043 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 C5' - C4' - O4' ANGL. DEV. = 7.7 DEGREES REMARK 500 DC A 1 O4' - C1' - C2' ANGL. DEV. = -4.9 DEGREES REMARK 500 DA A 2 C5' - C4' - O4' ANGL. DEV. = 13.0 DEGREES REMARK 500 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT A 3 C5' - C4' - O4' ANGL. DEV. = 7.8 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES REMARK 500 DT A 3 C4 - C5 - C7 ANGL. DEV. = 5.0 DEGREES REMARK 500 DT A 3 C6 - C5 - C7 ANGL. DEV. = -6.1 DEGREES REMARK 500 DT A 3 O3' - P - O5' ANGL. DEV. = -12.4 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG A 4 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DC A 5 C5' - C4' - C3' ANGL. DEV. = 7.4 DEGREES REMARK 500 DC A 5 O4' - C1' - C2' ANGL. DEV. = -4.9 DEGREES REMARK 500 DC A 5 C2 - N3 - C4 ANGL. DEV. = 3.5 DEGREES REMARK 500 DG A 4 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES REMARK 500 DA A 6 O4' - C4' - C3' ANGL. DEV. = 4.5 DEGREES REMARK 500 DA A 6 C4' - C3' - C2' ANGL. DEV. = -6.6 DEGREES REMARK 500 DA A 6 O4' - C1' - N9 ANGL. DEV. = 9.9 DEGREES REMARK 500 DA A 6 C5 - N7 - C8 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA A 6 N7 - C8 - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT A 7 O4' - C1' - N1 ANGL. DEV. = 5.4 DEGREES REMARK 500 DG A 8 O4' - C1' - C2' ANGL. DEV. = -8.3 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 9.7 DEGREES REMARK 500 DT A 7 C3' - O3' - P ANGL. DEV. = 8.5 DEGREES REMARK 500 DC B 9 C5' - C4' - O4' ANGL. DEV. = 7.6 DEGREES REMARK 500 DC B 9 O4' - C1' - C2' ANGL. DEV. = -5.0 DEGREES REMARK 500 DA B 10 C5' - C4' - O4' ANGL. DEV. = 13.0 DEGREES REMARK 500 DA B 10 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT B 11 C5' - C4' - O4' ANGL. DEV. = 7.8 DEGREES REMARK 500 DT B 11 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES REMARK 500 DT B 11 C4 - C5 - C7 ANGL. DEV. = 5.0 DEGREES REMARK 500 DT B 11 C6 - C5 - C7 ANGL. DEV. = -6.2 DEGREES REMARK 500 DT B 11 O3' - P - O5' ANGL. DEV. = -12.4 DEGREES REMARK 500 DG B 12 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG B 12 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC B 13 C5' - C4' - C3' ANGL. DEV. = 7.4 DEGREES REMARK 500 DC B 13 O4' - C1' - C2' ANGL. DEV. = -4.9 DEGREES REMARK 500 DC B 13 C2 - N3 - C4 ANGL. DEV. = 3.4 DEGREES REMARK 500 DG B 12 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES REMARK 500 DA B 14 O4' - C4' - C3' ANGL. DEV. = 4.5 DEGREES REMARK 500 DA B 14 C4' - C3' - C2' ANGL. DEV. = -6.6 DEGREES REMARK 500 DA B 14 O4' - C1' - N9 ANGL. DEV. = 10.0 DEGREES REMARK 500 DA B 14 C5 - N7 - C8 ANGL. DEV. = -3.2 DEGREES REMARK 500 DA B 14 N7 - C8 - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT B 15 O4' - C1' - N1 ANGL. DEV. = 5.4 DEGREES REMARK 500 DG B 16 O4' - C1' - C2' ANGL. DEV. = -8.3 DEGREES REMARK 500 DG B 16 O4' - C1' - N9 ANGL. DEV. = 9.7 DEGREES REMARK 500 DT B 15 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES 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 DG A 4 0.10 SIDE_CHAIN REMARK 500 DA A 6 0.07 SIDE_CHAIN REMARK 500 DG B 12 0.10 SIDE_CHAIN REMARK 500 DA B 14 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 BPT A 17 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BPT A 17 DBREF 1AU6 A 1 8 PDB 1AU6 1AU6 1 8 DBREF 1AU6 B 9 16 PDB 1AU6 1AU6 9 16 SEQRES 1 A 8 DC DA DT DG DC DA DT DG SEQRES 1 B 8 DC DA DT DG DC DA DT DG HET BPT A 17 36 HETNAM BPT BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO) HETNAM 2 BPT COMPLEX HETSYN BPT 1,1/T,T FORMUL 3 BPT C4 H24 CL2 N6 PT2 LINK PT1 BPT A 17 N7 DG A 4 1555 1555 1.99 LINK PT2 BPT A 17 N7 DG B 12 1555 1555 1.99 SITE *** AC1 6 DA A 2 DT A 3 DG A 4 DA B 10 SITE *** AC1 6 DT B 11 DG B 12 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 Set 1.1: A 8 DG O3' : rot 89:sc= 1.74 USER MOD Set 1.2: B 9 DC O5' : rot 21:sc= -1.22! USER MOD Set 2.1: A 1 DC O5' : rot 22:sc= -0.49! USER MOD Set 2.2: B 16 DG O3' : rot 94:sc= 2.07 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-0.0209) USER MOD Single : B 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.0214) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.636 5.858 -13.929 1.00 0.00 O ATOM 2 C5' DC A 1 -5.785 5.102 -14.321 1.00 0.00 C ATOM 3 C4' DC A 1 -5.547 3.608 -14.240 1.00 0.00 C ATOM 4 O4' DC A 1 -4.654 3.027 -15.201 1.00 0.00 O ATOM 5 C3' DC A 1 -5.018 3.283 -12.883 1.00 0.00 C ATOM 6 O3' DC A 1 -6.005 3.207 -11.861 1.00 0.00 O ATOM 7 C2' DC A 1 -4.113 2.085 -13.159 1.00 0.00 C ATOM 8 C1' DC A 1 -4.301 1.734 -14.658 1.00 0.00 C ATOM 9 N1 DC A 1 -3.097 1.272 -15.404 1.00 0.00 N ATOM 10 C2 DC A 1 -3.286 0.286 -16.343 1.00 0.00 C ATOM 11 O2 DC A 1 -4.388 -0.228 -16.456 1.00 0.00 O ATOM 12 N3 DC A 1 -2.243 -0.123 -17.111 1.00 0.00 N ATOM 13 C4 DC A 1 -1.018 0.385 -16.936 1.00 0.00 C ATOM 14 N4 DC A 1 -0.030 -0.015 -17.737 1.00 0.00 N ATOM 15 C5 DC A 1 -0.769 1.366 -15.920 1.00 0.00 C ATOM 16 C6 DC A 1 -1.867 1.801 -15.201 1.00 0.00 C ATOM 0 H5' DC A 1 -6.062 5.369 -15.341 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.627 5.368 -13.682 1.00 0.00 H new ATOM 0 H4' DC A 1 -6.523 3.175 -14.461 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.437 4.074 -12.409 1.00 0.00 H new ATOM 0 H2' DC A 1 -3.072 2.326 -12.944 1.00 0.00 H new ATOM 0 H2'' DC A 1 -4.382 1.240 -12.525 1.00 0.00 H new ATOM 0 HO5' DC A 1 -3.834 5.302 -14.015 1.00 0.00 H new ATOM 0 H1' DC A 1 -5.002 0.905 -14.750 1.00 0.00 H new ATOM 0 H41 DC A 1 0.909 0.363 -17.616 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.214 -0.699 -18.471 1.00 0.00 H new ATOM 0 H5 DC A 1 0.224 1.745 -15.727 1.00 0.00 H new ATOM 0 H6 DC A 1 -1.741 2.579 -14.462 1.00 0.00 H new ATOM 29 P DA A 2 -5.697 2.624 -10.395 1.00 0.00 P ATOM 30 OP1 DA A 2 -6.918 2.796 -9.578 1.00 0.00 O ATOM 31 OP2 DA A 2 -4.382 3.111 -9.922 1.00 0.00 O ATOM 32 O5' DA A 2 -5.589 1.057 -10.761 1.00 0.00 O ATOM 33 C5' DA A 2 -6.718 0.475 -11.432 1.00 0.00 C ATOM 34 C4' DA A 2 -6.379 -0.761 -12.254 1.00 0.00 C ATOM 35 O4' DA A 2 -5.423 -0.745 -13.323 1.00 0.00 O ATOM 36 C3' DA A 2 -6.195 -1.989 -11.484 1.00 0.00 C ATOM 37 O3' DA A 2 -7.383 -2.798 -11.577 1.00 0.00 O ATOM 38 C2' DA A 2 -4.916 -2.541 -11.975 1.00 0.00 C ATOM 39 C1' DA A 2 -4.910 -2.089 -13.385 1.00 0.00 C ATOM 40 N9 DA A 2 -3.591 -2.100 -13.944 1.00 0.00 N ATOM 41 C8 DA A 2 -2.547 -1.386 -13.547 1.00 0.00 C ATOM 42 N7 DA A 2 -1.474 -1.512 -14.281 1.00 0.00 N ATOM 43 C5 DA A 2 -1.883 -2.452 -15.229 1.00 0.00 C ATOM 44 C6 DA A 2 -1.249 -3.069 -16.314 1.00 0.00 C ATOM 45 N6 DA A 2 -0.007 -2.811 -16.706 1.00 0.00 N ATOM 46 N1 DA A 2 -1.962 -3.979 -16.990 1.00 0.00 N ATOM 47 C2 DA A 2 -3.203 -4.250 -16.620 1.00 0.00 C ATOM 48 N3 DA A 2 -3.920 -3.716 -15.663 1.00 0.00 N ATOM 49 C4 DA A 2 -3.177 -2.820 -14.998 1.00 0.00 C ATOM 0 H5' DA A 2 -7.164 1.223 -12.087 1.00 0.00 H new ATOM 0 H5'' DA A 2 -7.472 0.210 -10.691 1.00 0.00 H new ATOM 0 H4' DA A 2 -7.328 -0.732 -12.789 1.00 0.00 H new ATOM 0 H3' DA A 2 -6.096 -1.878 -10.404 1.00 0.00 H new ATOM 0 H2' DA A 2 -4.063 -2.153 -11.418 1.00 0.00 H new ATOM 0 H2'' DA A 2 -4.882 -3.627 -11.894 1.00 0.00 H new ATOM 0 H1' DA A 2 -5.502 -2.744 -14.024 1.00 0.00 H new ATOM 0 H8 DA A 2 -2.581 -0.745 -12.678 1.00 0.00 H new ATOM 0 H61 DA A 2 0.387 -3.303 -17.508 1.00 0.00 H new ATOM 0 H62 DA A 2 0.553 -2.121 -16.205 1.00 0.00 H new ATOM 0 H2 DA A 2 -3.696 -5.024 -17.190 1.00 0.00 H new ATOM 61 P DT A 3 -7.977 -3.296 -10.179 1.00 0.00 P ATOM 62 OP1 DT A 3 -8.945 -4.393 -10.390 1.00 0.00 O ATOM 63 OP2 DT A 3 -8.323 -2.129 -9.340 1.00 0.00 O ATOM 64 O5' DT A 3 -6.566 -3.881 -9.738 1.00 0.00 O ATOM 65 C5' DT A 3 -6.216 -5.225 -9.924 1.00 0.00 C ATOM 66 C4' DT A 3 -5.962 -5.840 -11.302 1.00 0.00 C ATOM 67 O4' DT A 3 -5.081 -5.141 -12.190 1.00 0.00 O ATOM 68 C3' DT A 3 -5.457 -7.269 -11.255 1.00 0.00 C ATOM 69 O3' DT A 3 -6.386 -8.105 -11.944 1.00 0.00 O ATOM 70 C2' DT A 3 -4.068 -7.160 -11.833 1.00 0.00 C ATOM 71 C1' DT A 3 -4.219 -6.082 -12.841 1.00 0.00 C ATOM 72 N1 DT A 3 -2.867 -5.533 -13.111 1.00 0.00 N ATOM 73 C2 DT A 3 -2.172 -5.774 -14.272 1.00 0.00 C ATOM 74 O2 DT A 3 -2.610 -6.469 -15.186 1.00 0.00 O ATOM 75 N3 DT A 3 -0.927 -5.171 -14.329 1.00 0.00 N ATOM 76 C4 DT A 3 -0.340 -4.350 -13.368 1.00 0.00 C ATOM 77 O4 DT A 3 0.774 -3.863 -13.547 1.00 0.00 O ATOM 78 C5 DT A 3 -1.172 -4.162 -12.205 1.00 0.00 C ATOM 79 C7 DT A 3 -0.804 -3.252 -11.022 1.00 0.00 C ATOM 80 C6 DT A 3 -2.342 -4.776 -12.143 1.00 0.00 C ATOM 0 H5' DT A 3 -7.007 -5.817 -9.463 1.00 0.00 H new ATOM 0 H5'' DT A 3 -5.311 -5.392 -9.340 1.00 0.00 H new ATOM 0 H4' DT A 3 -6.972 -5.772 -11.705 1.00 0.00 H new ATOM 0 H3' DT A 3 -5.388 -7.738 -10.274 1.00 0.00 H new ATOM 0 H2' DT A 3 -3.332 -6.903 -11.072 1.00 0.00 H new ATOM 0 H2'' DT A 3 -3.743 -8.096 -12.287 1.00 0.00 H new ATOM 0 H1' DT A 3 -4.634 -6.385 -13.802 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.377 -5.348 -15.170 1.00 0.00 H new ATOM 0 H71 DT A 3 -1.714 -2.857 -10.570 1.00 0.00 H new ATOM 0 H72 DT A 3 -0.249 -3.826 -10.280 1.00 0.00 H new ATOM 0 H73 DT A 3 -0.187 -2.426 -11.376 1.00 0.00 H new ATOM 0 H6 DT A 3 -2.919 -4.656 -11.238 1.00 0.00 H new ATOM 93 P DG A 4 -6.348 -9.691 -11.707 1.00 0.00 P ATOM 94 OP1 DG A 4 -7.560 -10.296 -12.307 1.00 0.00 O ATOM 95 OP2 DG A 4 -6.028 -9.950 -10.288 1.00 0.00 O ATOM 96 O5' DG A 4 -5.055 -10.042 -12.605 1.00 0.00 O ATOM 97 C5' DG A 4 -4.873 -11.378 -13.050 1.00 0.00 C ATOM 98 C4' DG A 4 -5.277 -11.592 -14.526 1.00 0.00 C ATOM 99 O4' DG A 4 -6.488 -10.854 -14.724 1.00 0.00 O ATOM 100 C3' DG A 4 -4.278 -10.967 -15.498 1.00 0.00 C ATOM 101 O3' DG A 4 -3.419 -12.020 -16.018 1.00 0.00 O ATOM 102 C2' DG A 4 -5.198 -10.360 -16.565 1.00 0.00 C ATOM 103 C1' DG A 4 -6.456 -10.009 -15.893 1.00 0.00 C ATOM 104 N9 DG A 4 -6.656 -8.618 -15.545 1.00 0.00 N ATOM 105 C8 DG A 4 -7.500 -8.109 -14.666 1.00 0.00 C ATOM 106 N7 DG A 4 -7.784 -6.848 -14.781 1.00 0.00 N ATOM 107 C5 DG A 4 -6.969 -6.462 -15.841 1.00 0.00 C ATOM 108 C6 DG A 4 -6.803 -5.203 -16.503 1.00 0.00 C ATOM 109 O6 DG A 4 -7.312 -4.105 -16.267 1.00 0.00 O ATOM 110 N1 DG A 4 -5.930 -5.335 -17.553 1.00 0.00 N ATOM 111 C2 DG A 4 -5.262 -6.490 -17.874 1.00 0.00 C ATOM 112 N2 DG A 4 -4.456 -6.403 -18.882 1.00 0.00 N ATOM 113 N3 DG A 4 -5.363 -7.638 -17.261 1.00 0.00 N ATOM 114 C4 DG A 4 -6.245 -7.548 -16.262 1.00 0.00 C ATOM 0 H5' DG A 4 -5.459 -12.046 -12.420 1.00 0.00 H new ATOM 0 H5'' DG A 4 -3.827 -11.656 -12.923 1.00 0.00 H new ATOM 0 H4' DG A 4 -5.347 -12.664 -14.708 1.00 0.00 H new ATOM 0 H3' DG A 4 -3.606 -10.220 -15.076 1.00 0.00 H new ATOM 0 H2' DG A 4 -4.740 -9.478 -17.013 1.00 0.00 H new ATOM 0 H2'' DG A 4 -5.376 -11.071 -17.371 1.00 0.00 H new ATOM 0 H1' DG A 4 -7.277 -10.170 -16.592 1.00 0.00 H new ATOM 0 H8 DG A 4 -7.935 -8.716 -13.886 1.00 0.00 H new ATOM 0 H1 DG A 4 -5.766 -4.515 -18.137 1.00 0.00 H new ATOM 0 H21 DG A 4 -3.924 -7.220 -19.181 1.00 0.00 H new ATOM 0 H22 DG A 4 -4.353 -5.517 -19.378 1.00 0.00 H new ATOM 126 P DC A 5 -1.914 -11.880 -16.641 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.626 -10.437 -16.779 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.812 -12.769 -17.819 1.00 0.00 O ATOM 129 O5' DC A 5 -0.942 -12.500 -15.483 1.00 0.00 O ATOM 130 C5' DC A 5 0.469 -12.825 -15.591 1.00 0.00 C ATOM 131 C4' DC A 5 1.304 -11.456 -15.753 1.00 0.00 C ATOM 132 O4' DC A 5 0.844 -10.400 -14.879 1.00 0.00 O ATOM 133 C3' DC A 5 2.876 -11.386 -15.637 1.00 0.00 C ATOM 134 O3' DC A 5 3.546 -10.763 -16.720 1.00 0.00 O ATOM 135 C2' DC A 5 3.121 -10.491 -14.400 1.00 0.00 C ATOM 136 C1' DC A 5 1.898 -9.515 -14.414 1.00 0.00 C ATOM 137 N1 DC A 5 1.419 -8.968 -13.068 1.00 0.00 N ATOM 138 C2 DC A 5 1.757 -7.680 -12.665 1.00 0.00 C ATOM 139 O2 DC A 5 2.504 -6.981 -13.344 1.00 0.00 O ATOM 140 N3 DC A 5 1.243 -7.217 -11.485 1.00 0.00 N ATOM 141 C4 DC A 5 0.435 -7.947 -10.692 1.00 0.00 C ATOM 142 N4 DC A 5 -0.032 -7.399 -9.568 1.00 0.00 N ATOM 143 C5 DC A 5 0.075 -9.290 -11.051 1.00 0.00 C ATOM 144 C6 DC A 5 0.614 -9.735 -12.255 1.00 0.00 C ATOM 0 H5' DC A 5 0.642 -13.477 -16.447 1.00 0.00 H new ATOM 0 H5'' DC A 5 0.801 -13.367 -14.706 1.00 0.00 H new ATOM 0 H4' DC A 5 1.085 -11.354 -16.816 1.00 0.00 H new ATOM 0 H3' DC A 5 3.259 -12.406 -15.598 1.00 0.00 H new ATOM 0 H2' DC A 5 3.158 -11.076 -13.481 1.00 0.00 H new ATOM 0 H2'' DC A 5 4.066 -9.953 -14.474 1.00 0.00 H new ATOM 0 H1' DC A 5 2.159 -8.627 -14.991 1.00 0.00 H new ATOM 0 H41 DC A 5 -0.645 -7.936 -8.955 1.00 0.00 H new ATOM 0 H42 DC A 5 0.224 -6.443 -9.322 1.00 0.00 H new ATOM 0 H5 DC A 5 -0.564 -9.906 -10.435 1.00 0.00 H new ATOM 0 H6 DC A 5 0.387 -10.743 -12.571 1.00 0.00 H new ATOM 156 P DA A 6 5.125 -10.972 -17.023 1.00 0.00 P ATOM 157 OP1 DA A 6 5.545 -12.318 -16.567 1.00 0.00 O ATOM 158 OP2 DA A 6 5.856 -9.774 -16.553 1.00 0.00 O ATOM 159 O5' DA A 6 5.076 -10.939 -18.633 1.00 0.00 O ATOM 160 C5' DA A 6 4.524 -12.084 -19.278 1.00 0.00 C ATOM 161 C4' DA A 6 3.137 -11.939 -19.878 1.00 0.00 C ATOM 162 O4' DA A 6 2.289 -11.328 -18.908 1.00 0.00 O ATOM 163 C3' DA A 6 3.025 -11.224 -21.202 1.00 0.00 C ATOM 164 O3' DA A 6 1.890 -11.567 -22.014 1.00 0.00 O ATOM 165 C2' DA A 6 2.925 -9.880 -20.631 1.00 0.00 C ATOM 166 C1' DA A 6 2.176 -9.976 -19.325 1.00 0.00 C ATOM 167 N9 DA A 6 2.549 -8.922 -18.373 1.00 0.00 N ATOM 168 C8 DA A 6 3.729 -8.350 -18.138 1.00 0.00 C ATOM 169 N7 DA A 6 3.737 -7.288 -17.387 1.00 0.00 N ATOM 170 C5 DA A 6 2.407 -7.238 -17.001 1.00 0.00 C ATOM 171 C6 DA A 6 1.694 -6.391 -16.156 1.00 0.00 C ATOM 172 N6 DA A 6 2.229 -5.334 -15.539 1.00 0.00 N ATOM 173 N1 DA A 6 0.395 -6.690 -15.991 1.00 0.00 N ATOM 174 C2 DA A 6 -0.135 -7.741 -16.611 1.00 0.00 C ATOM 175 N3 DA A 6 0.426 -8.582 -17.429 1.00 0.00 N ATOM 176 C4 DA A 6 1.707 -8.263 -17.575 1.00 0.00 C ATOM 0 H5' DA A 6 4.496 -12.899 -18.555 1.00 0.00 H new ATOM 0 H5'' DA A 6 5.206 -12.386 -20.073 1.00 0.00 H new ATOM 0 H4' DA A 6 2.829 -12.954 -20.127 1.00 0.00 H new ATOM 0 H3' DA A 6 3.822 -11.433 -21.916 1.00 0.00 H new ATOM 0 H2' DA A 6 3.918 -9.461 -20.469 1.00 0.00 H new ATOM 0 H2'' DA A 6 2.406 -9.213 -21.319 1.00 0.00 H new ATOM 0 H1' DA A 6 1.113 -9.757 -19.423 1.00 0.00 H new ATOM 0 H8 DA A 6 4.641 -8.751 -18.554 1.00 0.00 H new ATOM 0 H61 DA A 6 1.652 -4.752 -14.932 1.00 0.00 H new ATOM 0 H62 DA A 6 3.214 -5.109 -15.675 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.180 -7.921 -16.406 1.00 0.00 H new ATOM 188 P DT A 7 1.424 -13.089 -22.366 1.00 0.00 P ATOM 189 OP1 DT A 7 2.129 -14.028 -21.460 1.00 0.00 O ATOM 190 OP2 DT A 7 1.507 -13.268 -23.832 1.00 0.00 O ATOM 191 O5' DT A 7 -0.146 -13.042 -21.949 1.00 0.00 O ATOM 192 C5' DT A 7 -0.461 -12.167 -20.861 1.00 0.00 C ATOM 193 C4' DT A 7 -1.820 -11.536 -20.814 1.00 0.00 C ATOM 194 O4' DT A 7 -1.502 -10.430 -19.956 1.00 0.00 O ATOM 195 C3' DT A 7 -2.259 -10.982 -22.157 1.00 0.00 C ATOM 196 O3' DT A 7 -3.574 -11.393 -22.601 1.00 0.00 O ATOM 197 C2' DT A 7 -1.970 -9.504 -22.050 1.00 0.00 C ATOM 198 C1' DT A 7 -1.941 -9.226 -20.577 1.00 0.00 C ATOM 199 N1 DT A 7 -1.191 -8.016 -20.134 1.00 0.00 N ATOM 200 C2 DT A 7 -1.704 -7.386 -19.031 1.00 0.00 C ATOM 201 O2 DT A 7 -2.618 -7.872 -18.373 1.00 0.00 O ATOM 202 N3 DT A 7 -1.088 -6.211 -18.648 1.00 0.00 N ATOM 203 C4 DT A 7 0.043 -5.663 -19.209 1.00 0.00 C ATOM 204 O4 DT A 7 0.503 -4.607 -18.782 1.00 0.00 O ATOM 205 C5 DT A 7 0.580 -6.430 -20.302 1.00 0.00 C ATOM 206 C7 DT A 7 1.944 -6.034 -20.896 1.00 0.00 C ATOM 207 C6 DT A 7 -0.068 -7.525 -20.753 1.00 0.00 C ATOM 0 H5' DT A 7 0.276 -11.364 -20.859 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.325 -12.728 -19.936 1.00 0.00 H new ATOM 0 H4' DT A 7 -2.617 -12.215 -20.511 1.00 0.00 H new ATOM 0 H3' DT A 7 -1.707 -11.408 -22.995 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.019 -9.252 -22.519 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.738 -8.913 -22.549 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.946 -8.948 -20.261 1.00 0.00 H new ATOM 0 H3 DT A 7 -1.512 -5.700 -17.874 1.00 0.00 H new ATOM 0 H71 DT A 7 2.090 -4.959 -20.788 1.00 0.00 H new ATOM 0 H72 DT A 7 2.738 -6.563 -20.368 1.00 0.00 H new ATOM 0 H73 DT A 7 1.972 -6.300 -21.953 1.00 0.00 H new ATOM 0 H6 DT A 7 0.309 -8.031 -21.629 1.00 0.00 H new ATOM 220 P DG A 8 -4.845 -11.848 -21.693 1.00 0.00 P ATOM 221 OP1 DG A 8 -4.345 -12.677 -20.574 1.00 0.00 O ATOM 222 OP2 DG A 8 -5.885 -12.390 -22.600 1.00 0.00 O ATOM 223 O5' DG A 8 -5.324 -10.445 -21.133 1.00 0.00 O ATOM 224 C5' DG A 8 -5.931 -9.572 -22.070 1.00 0.00 C ATOM 225 C4' DG A 8 -6.172 -8.246 -21.461 1.00 0.00 C ATOM 226 O4' DG A 8 -4.947 -7.595 -21.072 1.00 0.00 O ATOM 227 C3' DG A 8 -6.850 -7.298 -22.447 1.00 0.00 C ATOM 228 O3' DG A 8 -7.945 -6.580 -21.873 1.00 0.00 O ATOM 229 C2' DG A 8 -5.679 -6.454 -22.794 1.00 0.00 C ATOM 230 C1' DG A 8 -5.130 -6.221 -21.442 1.00 0.00 C ATOM 231 N9 DG A 8 -3.943 -5.335 -21.432 1.00 0.00 N ATOM 232 C8 DG A 8 -2.857 -5.436 -22.216 1.00 0.00 C ATOM 233 N7 DG A 8 -1.926 -4.534 -22.001 1.00 0.00 N ATOM 234 C5 DG A 8 -2.466 -3.762 -20.965 1.00 0.00 C ATOM 235 C6 DG A 8 -1.943 -2.625 -20.257 1.00 0.00 C ATOM 236 O6 DG A 8 -0.864 -2.055 -20.402 1.00 0.00 O ATOM 237 N1 DG A 8 -2.834 -2.172 -19.284 1.00 0.00 N ATOM 238 C2 DG A 8 -4.054 -2.756 -19.014 1.00 0.00 C ATOM 239 N2 DG A 8 -4.763 -2.265 -18.008 1.00 0.00 N ATOM 240 N3 DG A 8 -4.542 -3.794 -19.681 1.00 0.00 N ATOM 241 C4 DG A 8 -3.701 -4.246 -20.631 1.00 0.00 C ATOM 0 H5' DG A 8 -6.874 -9.997 -22.415 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.290 -9.466 -22.945 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.800 -8.441 -20.592 1.00 0.00 H new ATOM 0 H3' DG A 8 -7.339 -7.769 -23.299 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.974 -6.966 -23.449 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.964 -5.529 -23.294 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.618 -5.745 -21.479 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.737 -5.658 -20.734 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.756 -6.204 -22.969 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.566 -1.355 -18.736 1.00 0.00 H new ATOM 0 H21 DG A 8 -5.670 -2.670 -17.778 1.00 0.00 H new ATOM 0 H22 DG A 8 -4.402 -1.482 -17.464 1.00 0.00 H new TER 254 DG A 8 ATOM 255 O5' DC B 9 -8.752 -8.238 -19.969 1.00 0.00 O ATOM 256 C5' DC B 9 -8.553 -7.564 -18.723 1.00 0.00 C ATOM 257 C4' DC B 9 -8.776 -6.068 -18.837 1.00 0.00 C ATOM 258 O4' DC B 9 -7.805 -5.310 -19.574 1.00 0.00 O ATOM 259 C3' DC B 9 -10.104 -5.831 -19.474 1.00 0.00 C ATOM 260 O3' DC B 9 -11.219 -5.953 -18.596 1.00 0.00 O ATOM 261 C2' DC B 9 -9.876 -4.530 -20.239 1.00 0.00 C ATOM 262 C1' DC B 9 -8.449 -4.050 -19.868 1.00 0.00 C ATOM 263 N1 DC B 9 -7.649 -3.402 -20.944 1.00 0.00 N ATOM 264 C2 DC B 9 -6.845 -2.350 -20.575 1.00 0.00 C ATOM 265 O2 DC B 9 -6.894 -1.935 -19.427 1.00 0.00 O ATOM 266 N3 DC B 9 -6.033 -1.767 -21.494 1.00 0.00 N ATOM 267 C4 DC B 9 -6.037 -2.168 -22.770 1.00 0.00 C ATOM 268 N4 DC B 9 -5.195 -1.598 -23.632 1.00 0.00 N ATOM 269 C5 DC B 9 -6.914 -3.215 -23.205 1.00 0.00 C ATOM 270 C6 DC B 9 -7.676 -3.827 -22.229 1.00 0.00 C ATOM 0 H5' DC B 9 -7.540 -7.752 -18.368 1.00 0.00 H new ATOM 0 H5'' DC B 9 -9.233 -7.975 -17.977 1.00 0.00 H new ATOM 0 H4' DC B 9 -8.697 -5.713 -17.810 1.00 0.00 H new ATOM 0 H3' DC B 9 -10.432 -6.607 -20.166 1.00 0.00 H new ATOM 0 H2' DC B 9 -9.965 -4.690 -21.313 1.00 0.00 H new ATOM 0 H2'' DC B 9 -10.621 -3.783 -19.965 1.00 0.00 H new ATOM 0 HO5' DC B 9 -8.667 -7.597 -20.705 1.00 0.00 H new ATOM 0 H1' DC B 9 -8.513 -3.287 -19.092 1.00 0.00 H new ATOM 0 H41 DC B 9 -5.187 -1.894 -24.608 1.00 0.00 H new ATOM 0 H42 DC B 9 -4.559 -0.866 -23.315 1.00 0.00 H new ATOM 0 H5 DC B 9 -6.976 -3.510 -24.242 1.00 0.00 H new ATOM 0 H6 DC B 9 -8.307 -4.662 -22.497 1.00 0.00 H new ATOM 283 P DA B 10 -12.706 -5.492 -19.005 1.00 0.00 P ATOM 284 OP1 DA B 10 -13.607 -5.863 -17.891 1.00 0.00 O ATOM 285 OP2 DA B 10 -12.995 -5.895 -20.396 1.00 0.00 O ATOM 286 O5' DA B 10 -12.499 -3.893 -18.935 1.00 0.00 O ATOM 287 C5' DA B 10 -12.003 -3.359 -17.695 1.00 0.00 C ATOM 288 C4' DA B 10 -11.293 -2.021 -17.839 1.00 0.00 C ATOM 289 O4' DA B 10 -10.144 -1.838 -18.678 1.00 0.00 O ATOM 290 C3' DA B 10 -12.172 -0.863 -17.995 1.00 0.00 C ATOM 291 O3' DA B 10 -12.279 -0.168 -16.739 1.00 0.00 O ATOM 292 C2' DA B 10 -11.627 -0.144 -19.164 1.00 0.00 C ATOM 293 C1' DA B 10 -10.182 -0.451 -19.064 1.00 0.00 C ATOM 294 N9 DA B 10 -9.507 -0.256 -20.313 1.00 0.00 N ATOM 295 C8 DA B 10 -9.724 -0.902 -21.450 1.00 0.00 C ATOM 296 N7 DA B 10 -8.912 -0.600 -22.427 1.00 0.00 N ATOM 297 C5 DA B 10 -8.115 0.386 -21.843 1.00 0.00 C ATOM 298 C6 DA B 10 -7.049 1.167 -22.306 1.00 0.00 C ATOM 299 N6 DA B 10 -6.517 1.071 -23.520 1.00 0.00 N ATOM 300 N1 DA B 10 -6.545 2.067 -21.452 1.00 0.00 N ATOM 301 C2 DA B 10 -7.058 2.178 -20.237 1.00 0.00 C ATOM 302 N3 DA B 10 -8.012 1.484 -19.671 1.00 0.00 N ATOM 303 C4 DA B 10 -8.504 0.603 -20.553 1.00 0.00 C ATOM 0 H5' DA B 10 -11.315 -4.078 -17.251 1.00 0.00 H new ATOM 0 H5'' DA B 10 -12.836 -3.244 -17.001 1.00 0.00 H new ATOM 0 H4' DA B 10 -10.849 -2.088 -16.846 1.00 0.00 H new ATOM 0 H3' DA B 10 -13.219 -1.071 -18.214 1.00 0.00 H new ATOM 0 H2' DA B 10 -12.057 -0.501 -20.100 1.00 0.00 H new ATOM 0 H2'' DA B 10 -11.822 0.927 -19.112 1.00 0.00 H new ATOM 0 H1' DA B 10 -9.676 0.204 -18.355 1.00 0.00 H new ATOM 0 H8 DA B 10 -10.517 -1.627 -21.561 1.00 0.00 H new ATOM 0 H61 DA B 10 -5.740 1.676 -23.786 1.00 0.00 H new ATOM 0 H62 DA B 10 -6.886 0.392 -24.186 1.00 0.00 H new ATOM 0 H2 DA B 10 -6.626 2.955 -19.623 1.00 0.00 H new ATOM 315 P DT B 11 -13.771 0.128 -16.251 1.00 0.00 P ATOM 316 OP1 DT B 11 -13.772 1.141 -15.175 1.00 0.00 O ATOM 317 OP2 DT B 11 -14.507 -1.145 -16.095 1.00 0.00 O ATOM 318 O5' DT B 11 -14.140 0.800 -17.643 1.00 0.00 O ATOM 319 C5' DT B 11 -14.070 2.183 -17.855 1.00 0.00 C ATOM 320 C4' DT B 11 -12.750 2.954 -17.911 1.00 0.00 C ATOM 321 O4' DT B 11 -11.713 2.436 -18.754 1.00 0.00 O ATOM 322 C3' DT B 11 -12.905 4.413 -18.293 1.00 0.00 C ATOM 323 O3' DT B 11 -12.401 5.220 -17.230 1.00 0.00 O ATOM 324 C2' DT B 11 -12.192 4.497 -19.620 1.00 0.00 C ATOM 325 C1' DT B 11 -11.091 3.516 -19.460 1.00 0.00 C ATOM 326 N1 DT B 11 -10.638 3.131 -20.819 1.00 0.00 N ATOM 327 C2 DT B 11 -9.451 3.552 -21.368 1.00 0.00 C ATOM 328 O2 DT B 11 -8.663 4.289 -20.780 1.00 0.00 O ATOM 329 N3 DT B 11 -9.212 3.081 -22.648 1.00 0.00 N ATOM 330 C4 DT B 11 -10.020 2.229 -23.400 1.00 0.00 C ATOM 331 O4 DT B 11 -9.685 1.872 -24.527 1.00 0.00 O ATOM 332 C5 DT B 11 -11.227 1.846 -22.710 1.00 0.00 C ATOM 333 C7 DT B 11 -12.265 0.862 -23.275 1.00 0.00 C ATOM 334 C6 DT B 11 -11.465 2.335 -21.505 1.00 0.00 C ATOM 0 H5' DT B 11 -14.665 2.647 -17.068 1.00 0.00 H new ATOM 0 H5'' DT B 11 -14.581 2.377 -18.798 1.00 0.00 H new ATOM 0 H4' DT B 11 -12.438 2.829 -16.874 1.00 0.00 H new ATOM 0 H3' DT B 11 -13.921 4.786 -18.422 1.00 0.00 H new ATOM 0 H2' DT B 11 -12.849 4.237 -20.450 1.00 0.00 H new ATOM 0 H2'' DT B 11 -11.815 5.501 -19.814 1.00 0.00 H new ATOM 0 H1' DT B 11 -10.211 3.872 -18.924 1.00 0.00 H new ATOM 0 H3 DT B 11 -8.347 3.392 -23.091 1.00 0.00 H new ATOM 0 H71 DT B 11 -12.754 0.337 -22.454 1.00 0.00 H new ATOM 0 H72 DT B 11 -13.011 1.410 -23.850 1.00 0.00 H new ATOM 0 H73 DT B 11 -11.767 0.140 -23.922 1.00 0.00 H new ATOM 0 H6 DT B 11 -12.402 2.071 -21.037 1.00 0.00 H new ATOM 347 P DG B 12 -12.805 6.771 -17.155 1.00 0.00 P ATOM 348 OP1 DG B 12 -12.389 7.313 -15.840 1.00 0.00 O ATOM 349 OP2 DG B 12 -14.207 6.917 -17.595 1.00 0.00 O ATOM 350 O5' DG B 12 -11.834 7.333 -18.313 1.00 0.00 O ATOM 351 C5' DG B 12 -11.522 8.719 -18.332 1.00 0.00 C ATOM 352 C4' DG B 12 -10.122 9.039 -17.762 1.00 0.00 C ATOM 353 O4' DG B 12 -9.959 8.210 -16.606 1.00 0.00 O ATOM 354 C3' DG B 12 -8.999 8.614 -18.706 1.00 0.00 C ATOM 355 O3' DG B 12 -8.519 9.792 -19.413 1.00 0.00 O ATOM 356 C2' DG B 12 -7.963 8.030 -17.738 1.00 0.00 C ATOM 357 C1' DG B 12 -8.706 7.493 -16.591 1.00 0.00 C ATOM 358 N9 DG B 12 -8.918 6.062 -16.548 1.00 0.00 N ATOM 359 C8 DG B 12 -9.811 5.389 -15.845 1.00 0.00 C ATOM 360 N7 DG B 12 -9.585 4.124 -15.661 1.00 0.00 N ATOM 361 C5 DG B 12 -8.418 3.927 -16.392 1.00 0.00 C ATOM 362 C6 DG B 12 -7.610 2.761 -16.597 1.00 0.00 C ATOM 363 O6 DG B 12 -7.773 1.601 -16.212 1.00 0.00 O ATOM 364 N1 DG B 12 -6.504 3.082 -17.344 1.00 0.00 N ATOM 365 C2 DG B 12 -6.251 4.323 -17.872 1.00 0.00 C ATOM 366 N2 DG B 12 -5.169 4.414 -18.576 1.00 0.00 N ATOM 367 N3 DG B 12 -6.993 5.388 -17.737 1.00 0.00 N ATOM 368 C4 DG B 12 -8.052 5.114 -16.972 1.00 0.00 C ATOM 0 H5' DG B 12 -12.273 9.261 -17.757 1.00 0.00 H new ATOM 0 H5'' DG B 12 -11.581 9.083 -19.358 1.00 0.00 H new ATOM 0 H4' DG B 12 -10.065 10.112 -17.581 1.00 0.00 H new ATOM 0 H3' DG B 12 -9.273 7.897 -19.480 1.00 0.00 H new ATOM 0 H2' DG B 12 -7.381 7.246 -18.222 1.00 0.00 H new ATOM 0 H2'' DG B 12 -7.259 8.798 -17.417 1.00 0.00 H new ATOM 0 H1' DG B 12 -8.107 7.642 -15.693 1.00 0.00 H new ATOM 0 H8 DG B 12 -10.690 5.870 -15.441 1.00 0.00 H new ATOM 0 H1 DG B 12 -5.821 2.345 -17.519 1.00 0.00 H new ATOM 0 H21 DG B 12 -4.911 5.304 -19.002 1.00 0.00 H new ATOM 0 H22 DG B 12 -4.574 3.596 -18.704 1.00 0.00 H new ATOM 380 P DC B 13 -7.747 9.861 -20.853 1.00 0.00 P ATOM 381 OP1 DC B 13 -7.426 8.473 -21.248 1.00 0.00 O ATOM 382 OP2 DC B 13 -6.668 10.868 -20.756 1.00 0.00 O ATOM 383 O5' DC B 13 -8.870 10.452 -21.881 1.00 0.00 O ATOM 384 C5' DC B 13 -8.668 10.922 -23.240 1.00 0.00 C ATOM 385 C4' DC B 13 -8.280 9.663 -24.169 1.00 0.00 C ATOM 386 O4' DC B 13 -9.073 8.486 -23.894 1.00 0.00 O ATOM 387 C3' DC B 13 -8.241 9.734 -25.745 1.00 0.00 C ATOM 388 O3' DC B 13 -7.039 9.291 -26.352 1.00 0.00 O ATOM 389 C2' DC B 13 -9.345 8.748 -26.193 1.00 0.00 C ATOM 390 C1' DC B 13 -9.338 7.665 -25.063 1.00 0.00 C ATOM 391 N1 DC B 13 -10.656 6.942 -24.775 1.00 0.00 N ATOM 392 C2 DC B 13 -10.882 5.659 -25.262 1.00 0.00 C ATOM 393 O2 DC B 13 -10.065 5.107 -25.993 1.00 0.00 O ATOM 394 N3 DC B 13 -12.048 5.033 -24.914 1.00 0.00 N ATOM 395 C4 DC B 13 -12.987 5.599 -24.132 1.00 0.00 C ATOM 396 N4 DC B 13 -14.084 4.898 -23.832 1.00 0.00 N ATOM 397 C5 DC B 13 -12.812 6.929 -23.622 1.00 0.00 C ATOM 398 C6 DC B 13 -11.619 7.542 -23.994 1.00 0.00 C ATOM 0 H5' DC B 13 -7.876 11.670 -23.267 1.00 0.00 H new ATOM 0 H5'' DC B 13 -9.573 11.402 -23.612 1.00 0.00 H new ATOM 0 H4' DC B 13 -7.237 9.647 -23.852 1.00 0.00 H new ATOM 0 H3' DC B 13 -8.356 10.777 -26.039 1.00 0.00 H new ATOM 0 H2' DC B 13 -10.315 9.239 -26.274 1.00 0.00 H new ATOM 0 H2'' DC B 13 -9.125 8.314 -27.168 1.00 0.00 H new ATOM 0 H1' DC B 13 -8.645 6.869 -25.338 1.00 0.00 H new ATOM 0 H41 DC B 13 -14.806 5.309 -23.241 1.00 0.00 H new ATOM 0 H42 DC B 13 -14.199 3.951 -24.194 1.00 0.00 H new ATOM 0 H5 DC B 13 -13.548 7.416 -22.999 1.00 0.00 H new ATOM 0 H6 DC B 13 -11.437 8.549 -23.649 1.00 0.00 H new ATOM 410 P DA B 14 -6.614 9.680 -27.867 1.00 0.00 P ATOM 411 OP1 DA B 14 -7.174 11.009 -28.214 1.00 0.00 O ATOM 412 OP2 DA B 14 -6.881 8.518 -28.743 1.00 0.00 O ATOM 413 O5' DA B 14 -5.022 9.804 -27.656 1.00 0.00 O ATOM 414 C5' DA B 14 -4.559 10.949 -26.944 1.00 0.00 C ATOM 415 C4' DA B 14 -4.079 10.730 -25.520 1.00 0.00 C ATOM 416 O4' DA B 14 -5.052 9.947 -24.833 1.00 0.00 O ATOM 417 C3' DA B 14 -2.702 10.144 -25.335 1.00 0.00 C ATOM 418 O3' DA B 14 -2.041 10.455 -24.097 1.00 0.00 O ATOM 419 C2' DA B 14 -3.130 8.746 -25.411 1.00 0.00 C ATOM 420 C1' DA B 14 -4.503 8.638 -24.795 1.00 0.00 C ATOM 421 N9 DA B 14 -5.295 7.536 -25.352 1.00 0.00 N ATOM 422 C8 DA B 14 -5.356 7.061 -26.596 1.00 0.00 C ATOM 423 N7 DA B 14 -5.982 5.935 -26.772 1.00 0.00 N ATOM 424 C5 DA B 14 -6.483 5.717 -25.498 1.00 0.00 C ATOM 425 C6 DA B 14 -7.293 4.726 -24.951 1.00 0.00 C ATOM 426 N6 DA B 14 -7.738 3.669 -25.637 1.00 0.00 N ATOM 427 N1 DA B 14 -7.610 4.879 -23.656 1.00 0.00 N ATOM 428 C2 DA B 14 -7.161 5.930 -22.976 1.00 0.00 C ATOM 429 N3 DA B 14 -6.390 6.900 -23.375 1.00 0.00 N ATOM 430 C4 DA B 14 -6.091 6.722 -24.657 1.00 0.00 C ATOM 0 H5' DA B 14 -5.366 11.682 -26.920 1.00 0.00 H new ATOM 0 H5'' DA B 14 -3.742 11.393 -27.512 1.00 0.00 H new ATOM 0 H4' DA B 14 -3.971 11.730 -25.100 1.00 0.00 H new ATOM 0 H3' DA B 14 -1.944 10.500 -26.033 1.00 0.00 H new ATOM 0 H2' DA B 14 -3.151 8.411 -26.448 1.00 0.00 H new ATOM 0 H2'' DA B 14 -2.425 8.104 -24.883 1.00 0.00 H new ATOM 0 H1' DA B 14 -4.482 8.327 -23.750 1.00 0.00 H new ATOM 0 H8 DA B 14 -4.905 7.589 -27.423 1.00 0.00 H new ATOM 0 H61 DA B 14 -8.330 2.976 -25.179 1.00 0.00 H new ATOM 0 H62 DA B 14 -7.486 3.555 -26.619 1.00 0.00 H new ATOM 0 H2 DA B 14 -7.482 5.987 -21.946 1.00 0.00 H new ATOM 442 P DT B 15 -1.902 11.953 -23.468 1.00 0.00 P ATOM 443 OP1 DT B 15 -2.835 12.860 -24.178 1.00 0.00 O ATOM 444 OP2 DT B 15 -0.463 12.284 -23.384 1.00 0.00 O ATOM 445 O5' DT B 15 -2.455 11.712 -21.959 1.00 0.00 O ATOM 446 C5' DT B 15 -3.467 10.707 -21.834 1.00 0.00 C ATOM 447 C4' DT B 15 -3.571 9.946 -20.547 1.00 0.00 C ATOM 448 O4' DT B 15 -4.270 8.795 -21.046 1.00 0.00 O ATOM 449 C3' DT B 15 -2.222 9.489 -20.022 1.00 0.00 C ATOM 450 O3' DT B 15 -1.950 9.813 -18.637 1.00 0.00 O ATOM 451 C2' DT B 15 -2.140 8.042 -20.447 1.00 0.00 C ATOM 452 C1' DT B 15 -3.565 7.623 -20.651 1.00 0.00 C ATOM 453 N1 DT B 15 -3.802 6.453 -21.544 1.00 0.00 N ATOM 454 C2 DT B 15 -4.873 5.669 -21.203 1.00 0.00 C ATOM 455 O2 DT B 15 -5.661 5.996 -20.322 1.00 0.00 O ATOM 456 N3 DT B 15 -5.067 4.527 -21.955 1.00 0.00 N ATOM 457 C4 DT B 15 -4.346 4.150 -23.065 1.00 0.00 C ATOM 458 O4 DT B 15 -4.611 3.106 -23.656 1.00 0.00 O ATOM 459 C5 DT B 15 -3.298 5.070 -23.419 1.00 0.00 C ATOM 460 C7 DT B 15 -2.540 4.870 -24.743 1.00 0.00 C ATOM 461 C6 DT B 15 -3.031 6.137 -22.636 1.00 0.00 C ATOM 0 H5' DT B 15 -3.314 9.983 -22.635 1.00 0.00 H new ATOM 0 H5'' DT B 15 -4.430 11.184 -22.015 1.00 0.00 H new ATOM 0 H4' DT B 15 -4.019 10.511 -19.730 1.00 0.00 H new ATOM 0 H3' DT B 15 -1.388 10.048 -20.447 1.00 0.00 H new ATOM 0 H2' DT B 15 -1.560 7.931 -21.363 1.00 0.00 H new ATOM 0 H2'' DT B 15 -1.653 7.433 -19.685 1.00 0.00 H new ATOM 0 H1' DT B 15 -3.941 7.219 -19.711 1.00 0.00 H new ATOM 0 H3 DT B 15 -5.817 3.903 -21.659 1.00 0.00 H new ATOM 0 H71 DT B 15 -2.516 3.809 -24.992 1.00 0.00 H new ATOM 0 H72 DT B 15 -3.046 5.418 -25.538 1.00 0.00 H new ATOM 0 H73 DT B 15 -1.521 5.241 -24.638 1.00 0.00 H new ATOM 0 H6 DT B 15 -2.184 6.762 -22.876 1.00 0.00 H new ATOM 474 P DG B 16 -3.017 10.049 -17.432 1.00 0.00 P ATOM 475 OP1 DG B 16 -4.168 10.806 -17.970 1.00 0.00 O ATOM 476 OP2 DG B 16 -2.275 10.576 -16.261 1.00 0.00 O ATOM 477 O5' DG B 16 -3.463 8.557 -17.136 1.00 0.00 O ATOM 478 C5' DG B 16 -2.496 7.729 -16.514 1.00 0.00 C ATOM 479 C4' DG B 16 -2.979 6.332 -16.451 1.00 0.00 C ATOM 480 O4' DG B 16 -3.178 5.768 -17.763 1.00 0.00 O ATOM 481 C3' DG B 16 -1.962 5.426 -15.760 1.00 0.00 C ATOM 482 O3' DG B 16 -2.551 4.550 -14.797 1.00 0.00 O ATOM 483 C2' DG B 16 -1.419 4.738 -16.958 1.00 0.00 C ATOM 484 C1' DG B 16 -2.679 4.426 -17.662 1.00 0.00 C ATOM 485 N9 DG B 16 -2.482 3.661 -18.915 1.00 0.00 N ATOM 486 C8 DG B 16 -1.616 3.945 -19.902 1.00 0.00 C ATOM 487 N7 DG B 16 -1.644 3.120 -20.924 1.00 0.00 N ATOM 488 C5 DG B 16 -2.635 2.200 -20.563 1.00 0.00 C ATOM 489 C6 DG B 16 -3.163 1.054 -21.252 1.00 0.00 C ATOM 490 O6 DG B 16 -2.856 0.609 -22.356 1.00 0.00 O ATOM 491 N1 DG B 16 -4.159 0.422 -20.508 1.00 0.00 N ATOM 492 C2 DG B 16 -4.604 0.854 -19.276 1.00 0.00 C ATOM 493 N2 DG B 16 -5.611 0.199 -18.719 1.00 0.00 N ATOM 494 N3 DG B 16 -4.101 1.901 -18.635 1.00 0.00 N ATOM 495 C4 DG B 16 -3.133 2.526 -19.331 1.00 0.00 C ATOM 0 H5' DG B 16 -2.287 8.094 -15.508 1.00 0.00 H new ATOM 0 H5'' DG B 16 -1.559 7.772 -17.070 1.00 0.00 H new ATOM 0 H4' DG B 16 -3.919 6.376 -15.901 1.00 0.00 H new ATOM 0 H3' DG B 16 -1.216 5.932 -15.147 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.761 5.379 -17.545 1.00 0.00 H new ATOM 0 H2'' DG B 16 -0.850 3.844 -16.704 1.00 0.00 H new ATOM 0 HO3' DG B 16 -2.752 3.688 -15.218 1.00 0.00 H new ATOM 0 H1' DG B 16 -3.376 3.739 -17.182 1.00 0.00 H new ATOM 0 H8 DG B 16 -0.945 4.790 -19.858 1.00 0.00 H new ATOM 0 H1 DG B 16 -4.587 -0.416 -20.901 1.00 0.00 H new ATOM 0 H21 DG B 16 -5.967 0.490 -17.808 1.00 0.00 H new ATOM 0 H22 DG B 16 -6.031 -0.596 -19.201 1.00 0.00 H new TER 508 DG B 16 HETATM 509 PT1 BPT A 17 -9.023 -5.704 -13.730 1.00 0.00 PT HETATM 510 N1 BPT A 17 -10.255 -4.534 -12.682 1.00 0.00 N HETATM 511 C1 BPT A 17 -10.559 -3.317 -13.422 1.00 0.00 C HETATM 512 C2 BPT A 17 -11.193 -2.320 -12.372 1.00 0.00 C HETATM 513 C3 BPT A 17 -11.799 -0.931 -12.921 1.00 0.00 C HETATM 514 C4 BPT A 17 -10.805 0.222 -13.356 1.00 0.00 C HETATM 515 N2 BPT A 17 -11.640 1.383 -13.627 1.00 0.00 N HETATM 516 PT2 BPT A 17 -10.614 2.767 -14.638 1.00 0.00 PT HETATM 517 N3 BPT A 17 -7.598 -4.304 -13.629 1.00 0.00 N HETATM 518 N4 BPT A 17 -10.460 -7.110 -13.837 1.00 0.00 N HETATM 519 N5 BPT A 17 -10.431 1.507 -16.183 1.00 0.00 N HETATM 520 N6 BPT A 17 -10.797 4.030 -13.083 1.00 0.00 N HETATM 0 HC42 BPT A 17 -10.083 0.435 -12.567 1.00 0.00 H new HETATM 0 HC41 BPT A 17 -10.236 -0.065 -14.240 1.00 0.00 H new HETATM 0 HC32 BPT A 17 -12.429 -1.163 -13.780 1.00 0.00 H new HETATM 0 HC31 BPT A 17 -12.452 -0.528 -12.147 1.00 0.00 H new HETATM 0 HC22 BPT A 17 -11.989 -2.848 -11.848 1.00 0.00 H new HETATM 0 HC21 BPT A 17 -10.428 -2.082 -11.633 1.00 0.00 H new HETATM 0 HC12 BPT A 17 -9.658 -2.895 -13.867 1.00 0.00 H new HETATM 0 HC11 BPT A 17 -11.253 -3.519 -14.238 1.00 0.00 H new CONECT 106 509 CONECT 360 516 CONECT 509 106 510 517 518 CONECT 510 509 511 521 522 CONECT 511 510 512 523 524 CONECT 512 511 513 525 526 CONECT 513 512 514 527 528 CONECT 514 513 515 529 530 CONECT 515 514 516 531 532 CONECT 516 360 515 519 520 CONECT 517 509 533 534 535 CONECT 518 509 536 537 538 CONECT 519 516 539 540 541 CONECT 520 516 542 543 544 CONECT 521 510 CONECT 522 510 CONECT 523 511 CONECT 524 511 CONECT 525 512 CONECT 526 512 CONECT 527 513 CONECT 528 513 CONECT 529 514 CONECT 530 514 CONECT 531 515 CONECT 532 515 CONECT 533 517 CONECT 534 517 CONECT 535 517 CONECT 536 518 CONECT 537 518 CONECT 538 518 CONECT 539 519 CONECT 540 519 CONECT 541 519 CONECT 542 520 CONECT 543 520 CONECT 544 520 END