USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 388 hydrogens (60 hets) HEADER DNA 23-OCT-07 2JWQ TITLE G-QUADRUPLEX RECOGNITION BY QUINACRIDINES: A SAR, NMR AND TITLE 2 BIOLOGICAL STUDY COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*DTP*DTP*DAP*DGP*DGP*DGP*DT)-3'); COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS G-QUADRUPLEX, QUINACRIDINE, TELOMERASE INHIBITORS, DNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR C.HOUNSOU,L.GUITTAT,D.MONCHAUD,M.JOURDAN,N.SAETTEL, AUTHOR 2 J.L.MERGNY,M.TEULADE-FICHOU REVDAT 2 24-FEB-09 2JWQ 1 VERSN REVDAT 1 25-MAR-08 2JWQ 0 JRNL AUTH C.HOUNSOU,L.GUITTAT,D.MONCHAUD,M.JOURDAN,N.SAETTEL, JRNL AUTH 2 J.L.MERGNY,M.TEULADE-FICHOU JRNL TITL G-QUADRUPLEX RECOGNITION BY QUINACRIDINES: A SAR, JRNL TITL 2 NMR, AND BIOLOGICAL STUDY JRNL REF CHEMMEDCHEM V. 2 655 2007 JRNL REFN ISSN 1860-7179 JRNL PMID 17385760 JRNL DOI 10.1002/CMDC.200600286 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 2004.1 REMARK 3 AUTHORS : ACCELRYS SOFTWARE INC. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2JWQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-OCT-07. REMARK 100 THE RCSB ID CODE IS RCSB100386. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 318 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : 0.1 M KCL AND 0.01 M K2HPO4 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1,3 MM G-QUADRUPLEX, 90% H2O/ REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY, 2D DQF-COSY, REMARK 210 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 4 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES REMARK 210 SUBMITTED 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 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 DG B 11 C5' DG B 11 C4' 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 DA A 3 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 7.1 DEGREES REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DT A 7 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 DA B 10 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 DG B 11 C4' - C3' - C2' ANGL. DEV. = -4.2 DEGREES REMARK 500 DG B 11 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES REMARK 500 DG B 13 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DT B 14 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG C 18 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG C 20 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DT C 21 O4' - C1' - N1 ANGL. DEV. = 4.1 DEGREES REMARK 500 DT C 21 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES REMARK 500 DA D 24 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG D 25 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG D 27 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DT D 28 O4' - C1' - N1 ANGL. DEV. = 3.9 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 6 0.06 SIDE_CHAIN REMARK 500 DT A 7 0.08 SIDE_CHAIN REMARK 500 DG C 18 0.09 SIDE_CHAIN REMARK 500 DG C 20 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MM0 B 29 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MM0 B 30 DBREF 2JWQ A 1 7 PDB 2JWQ 2JWQ 1 7 DBREF 2JWQ B 8 14 PDB 2JWQ 2JWQ 1 7 DBREF 2JWQ C 15 21 PDB 2JWQ 2JWQ 1 7 DBREF 2JWQ D 22 28 PDB 2JWQ 2JWQ 1 7 SEQRES 1 A 7 DT DT DA DG DG DG DT SEQRES 1 B 7 DT DT DA DG DG DG DT SEQRES 1 C 7 DT DT DA DG DG DG DT SEQRES 1 D 7 DT DT DA DG DG DG DT HET MM0 B 29 62 HET MM0 B 30 62 HETNAM MM0 N,N'-(DIBENZO[B,J][1,7]PHENANTHROLINE-2,10- HETNAM 2 MM0 DIYLDIMETHANEDIYL)DIPROPAN-1-AMINE FORMUL 5 MM0 2(C28 H30 N4) SITE *** AC1 8 DA A 3 DG A 4 DA B 10 DG B 11 SITE *** AC1 8 DT D 23 DA D 24 DG D 25 DG D 26 SITE *** AC2 10 DG A 5 DG A 6 DT A 7 DG B 11 SITE *** AC2 10 DG B 12 DG B 13 DT B 14 DT C 21 SITE *** AC2 10 DG D 27 DT D 28 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 DT C7 :methyl -30:sc= -10.8! (180deg=-17.6!) USER MOD Single : A 1 DT O5' : rot 180:sc= -1.17 USER MOD Single : A 2 DT C7 :methyl -30:sc= -4.14! (180deg=-5.08!) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.634 (180deg=-2.59!) USER MOD Single : A 7 DT O3' : rot 25:sc= 0.949 USER MOD Single : B 8 DT C7 :methyl -30:sc= -1.49 (180deg=-6.56!) USER MOD Single : B 8 DT O5' : rot 180:sc= -1.18 USER MOD Single : B 9 DT C7 :methyl -30:sc= -4.19! (180deg=-5.28!) USER MOD Single : B 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT O3' : rot 180:sc= 0 USER MOD Single : C 15 DT C7 :methyl -30:sc= -4.67! (180deg=-9.94!) USER MOD Single : C 15 DT O5' : rot 131:sc= -1.15 USER MOD Single : C 16 DT C7 :methyl -30:sc= -5.41! (180deg=-8.3!) USER MOD Single : C 21 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 21 DT O3' : rot -50:sc= 0.721 USER MOD Single : D 22 DT C7 :methyl -30:sc= -4.89! (180deg=-10.4!) USER MOD Single : D 22 DT O5' : rot 180:sc= -1.18 USER MOD Single : D 23 DT C7 :methyl -30:sc= -4.99! (180deg=-6.29!) USER MOD Single : D 28 DT C7 :methyl 150:sc= -0.161 (180deg=-0.161) USER MOD Single : D 28 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 0.270 -7.725 -1.830 1.00 0.00 O ATOM 2 C5' DT A 1 1.364 -7.578 -2.770 1.00 0.00 C ATOM 3 C4' DT A 1 2.608 -7.128 -2.040 1.00 0.00 C ATOM 4 O4' DT A 1 2.530 -5.682 -1.830 1.00 0.00 O ATOM 5 C3' DT A 1 2.818 -7.701 -0.640 1.00 0.00 C ATOM 6 O3' DT A 1 4.189 -7.682 -0.250 1.00 0.00 O ATOM 7 C2' DT A 1 2.035 -6.740 0.240 1.00 0.00 C ATOM 8 C1' DT A 1 2.252 -5.410 -0.470 1.00 0.00 C ATOM 9 N1 DT A 1 1.073 -4.504 -0.420 1.00 0.00 N ATOM 10 C2 DT A 1 1.320 -3.155 -0.270 1.00 0.00 C ATOM 11 O2 DT A 1 2.445 -2.697 -0.180 1.00 0.00 O ATOM 12 N3 DT A 1 0.197 -2.352 -0.230 1.00 0.00 N ATOM 13 C4 DT A 1 -1.112 -2.765 -0.320 1.00 0.00 C ATOM 14 O4 DT A 1 -2.039 -1.948 -0.270 1.00 0.00 O ATOM 15 C5 DT A 1 -1.273 -4.191 -0.470 1.00 0.00 C ATOM 16 C7 DT A 1 -2.684 -4.686 -0.580 1.00 0.00 C ATOM 17 C6 DT A 1 -0.201 -5.006 -0.520 1.00 0.00 C ATOM 0 H5' DT A 1 1.100 -6.852 -3.539 1.00 0.00 H new ATOM 0 H5'' DT A 1 1.551 -8.525 -3.276 1.00 0.00 H new ATOM 0 H4' DT A 1 3.422 -7.475 -2.676 1.00 0.00 H new ATOM 0 H3' DT A 1 2.503 -8.742 -0.574 1.00 0.00 H new ATOM 0 H2' DT A 1 0.979 -7.005 0.295 1.00 0.00 H new ATOM 0 H2'' DT A 1 2.413 -6.723 1.262 1.00 0.00 H new ATOM 0 HO5' DT A 1 -0.535 -8.015 -2.308 1.00 0.00 H new ATOM 0 H1' DT A 1 3.071 -4.904 0.042 1.00 0.00 H new ATOM 0 H3 DT A 1 0.354 -1.350 -0.123 1.00 0.00 H new ATOM 0 H71 DT A 1 -3.347 -4.022 -0.025 1.00 0.00 H new ATOM 0 H72 DT A 1 -2.983 -4.704 -1.628 1.00 0.00 H new ATOM 0 H73 DT A 1 -2.750 -5.693 -0.167 1.00 0.00 H new ATOM 0 H6 DT A 1 -0.346 -6.069 -0.640 1.00 0.00 H new ATOM 31 P DT A 2 4.562 -7.653 1.300 1.00 0.00 P ATOM 32 OP1 DT A 2 5.836 -8.366 1.520 1.00 0.00 O ATOM 33 OP2 DT A 2 3.403 -8.136 2.090 1.00 0.00 O ATOM 34 O5' DT A 2 4.759 -6.091 1.550 1.00 0.00 O ATOM 35 C5' DT A 2 5.558 -5.329 0.610 1.00 0.00 C ATOM 36 C4' DT A 2 6.300 -4.234 1.340 1.00 0.00 C ATOM 37 O4' DT A 2 5.387 -3.110 1.550 1.00 0.00 O ATOM 38 C3' DT A 2 6.806 -4.574 2.740 1.00 0.00 C ATOM 39 O3' DT A 2 7.904 -3.753 3.130 1.00 0.00 O ATOM 40 C2' DT A 2 5.608 -4.257 3.620 1.00 0.00 C ATOM 41 C1' DT A 2 5.002 -3.053 2.910 1.00 0.00 C ATOM 42 N1 DT A 2 3.515 -3.013 2.960 1.00 0.00 N ATOM 43 C2 DT A 2 2.922 -1.777 3.110 1.00 0.00 C ATOM 44 O2 DT A 2 3.563 -0.745 3.200 1.00 0.00 O ATOM 45 N3 DT A 2 1.542 -1.787 3.150 1.00 0.00 N ATOM 46 C4 DT A 2 0.726 -2.891 3.060 1.00 0.00 C ATOM 47 O4 DT A 2 -0.505 -2.774 3.110 1.00 0.00 O ATOM 48 C5 DT A 2 1.434 -4.139 2.910 1.00 0.00 C ATOM 49 C7 DT A 2 0.583 -5.369 2.800 1.00 0.00 C ATOM 50 C6 DT A 2 2.780 -4.168 2.860 1.00 0.00 C ATOM 0 H5' DT A 2 4.918 -4.897 -0.159 1.00 0.00 H new ATOM 0 H5'' DT A 2 6.266 -5.986 0.104 1.00 0.00 H new ATOM 0 H4' DT A 2 7.163 -4.037 0.704 1.00 0.00 H new ATOM 0 H3' DT A 2 7.162 -5.602 2.806 1.00 0.00 H new ATOM 0 H2' DT A 2 4.910 -5.092 3.675 1.00 0.00 H new ATOM 0 H2'' DT A 2 5.904 -4.021 4.642 1.00 0.00 H new ATOM 0 H1' DT A 2 5.367 -2.162 3.422 1.00 0.00 H new ATOM 0 H3 DT A 2 1.080 -0.884 3.257 1.00 0.00 H new ATOM 0 H71 DT A 2 -0.343 -5.221 3.355 1.00 0.00 H new ATOM 0 H72 DT A 2 0.352 -5.559 1.752 1.00 0.00 H new ATOM 0 H73 DT A 2 1.121 -6.222 3.213 1.00 0.00 H new ATOM 0 H6 DT A 2 3.288 -5.113 2.740 1.00 0.00 H new ATOM 63 P DA A 3 8.602 -3.751 4.595 1.00 0.00 P ATOM 64 OP1 DA A 3 10.057 -3.560 4.403 1.00 0.00 O ATOM 65 OP2 DA A 3 8.097 -4.898 5.384 1.00 0.00 O ATOM 66 O5' DA A 3 7.989 -2.370 5.166 1.00 0.00 O ATOM 67 C5' DA A 3 8.112 -1.958 6.516 1.00 0.00 C ATOM 68 C4' DA A 3 7.675 -0.486 6.597 1.00 0.00 C ATOM 69 O4' DA A 3 6.393 -0.372 6.001 1.00 0.00 O ATOM 70 C3' DA A 3 7.550 0.047 8.036 1.00 0.00 C ATOM 71 O3' DA A 3 7.815 1.447 8.034 1.00 0.00 O ATOM 72 C2' DA A 3 6.077 -0.217 8.321 1.00 0.00 C ATOM 73 C1' DA A 3 5.492 0.138 6.959 1.00 0.00 C ATOM 74 N9 DA A 3 4.146 -0.429 6.752 1.00 0.00 N ATOM 75 C8 DA A 3 3.773 -1.728 6.508 1.00 0.00 C ATOM 76 N7 DA A 3 2.490 -1.890 6.331 1.00 0.00 N ATOM 77 C5 DA A 3 1.978 -0.603 6.458 1.00 0.00 C ATOM 78 C6 DA A 3 0.678 -0.064 6.375 1.00 0.00 C ATOM 79 N6 DA A 3 -0.413 -0.799 6.147 1.00 0.00 N ATOM 80 N1 DA A 3 0.522 1.261 6.556 1.00 0.00 N ATOM 81 C2 DA A 3 1.588 2.013 6.804 1.00 0.00 C ATOM 82 N3 DA A 3 2.854 1.633 6.914 1.00 0.00 N ATOM 83 C4 DA A 3 2.982 0.293 6.723 1.00 0.00 C ATOM 0 H5' DA A 3 9.141 -2.071 6.858 1.00 0.00 H new ATOM 0 H5'' DA A 3 7.491 -2.578 7.163 1.00 0.00 H new ATOM 0 H4' DA A 3 8.444 0.097 6.090 1.00 0.00 H new ATOM 0 H3' DA A 3 8.228 -0.402 8.762 1.00 0.00 H new ATOM 0 H2' DA A 3 5.884 -1.252 8.604 1.00 0.00 H new ATOM 0 H2'' DA A 3 5.686 0.411 9.122 1.00 0.00 H new ATOM 0 H1' DA A 3 5.371 1.218 6.877 1.00 0.00 H new ATOM 0 H8 DA A 3 4.479 -2.544 6.466 1.00 0.00 H new ATOM 0 H61 DA A 3 -1.328 -0.351 6.098 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.331 -1.808 6.022 1.00 0.00 H new ATOM 0 H2 DA A 3 1.400 3.069 6.933 1.00 0.00 H new ATOM 95 P DG A 4 8.142 2.296 9.378 1.00 0.00 P ATOM 96 OP1 DG A 4 8.898 3.497 8.955 1.00 0.00 O ATOM 97 OP2 DG A 4 8.759 1.381 10.365 1.00 0.00 O ATOM 98 O5' DG A 4 6.737 2.820 9.994 1.00 0.00 O ATOM 99 C5' DG A 4 6.655 3.208 11.360 1.00 0.00 C ATOM 100 C4' DG A 4 5.394 4.025 11.688 1.00 0.00 C ATOM 101 O4' DG A 4 4.238 3.280 11.319 1.00 0.00 O ATOM 102 C3' DG A 4 5.299 4.286 13.208 1.00 0.00 C ATOM 103 O3' DG A 4 4.946 5.637 13.543 1.00 0.00 O ATOM 104 C2' DG A 4 4.210 3.280 13.595 1.00 0.00 C ATOM 105 C1' DG A 4 3.321 3.398 12.384 1.00 0.00 C ATOM 106 N9 DG A 4 2.268 2.364 12.432 1.00 0.00 N ATOM 107 C8 DG A 4 2.380 1.003 12.307 1.00 0.00 C ATOM 108 N7 DG A 4 1.250 0.364 12.429 1.00 0.00 N ATOM 109 C5 DG A 4 0.318 1.372 12.647 1.00 0.00 C ATOM 110 C6 DG A 4 -1.099 1.298 12.776 1.00 0.00 C ATOM 111 O6 DG A 4 -1.795 0.286 12.811 1.00 0.00 O ATOM 112 N1 DG A 4 -1.691 2.560 12.850 1.00 0.00 N ATOM 113 C2 DG A 4 -0.988 3.747 12.937 1.00 0.00 C ATOM 114 N2 DG A 4 -1.700 4.873 13.043 1.00 0.00 N ATOM 115 N3 DG A 4 0.350 3.812 12.867 1.00 0.00 N ATOM 116 C4 DG A 4 0.938 2.597 12.688 1.00 0.00 C ATOM 0 H5' DG A 4 7.537 3.795 11.617 1.00 0.00 H new ATOM 0 H5'' DG A 4 6.674 2.315 11.985 1.00 0.00 H new ATOM 0 H4' DG A 4 5.451 4.968 11.144 1.00 0.00 H new ATOM 0 H3' DG A 4 6.246 4.164 13.734 1.00 0.00 H new ATOM 0 H2' DG A 4 4.601 2.272 13.731 1.00 0.00 H new ATOM 0 H2'' DG A 4 3.698 3.551 14.518 1.00 0.00 H new ATOM 0 H1' DG A 4 2.754 4.325 12.297 1.00 0.00 H new ATOM 0 H8 DG A 4 3.321 0.505 12.124 1.00 0.00 H new ATOM 0 H1 DG A 4 -2.710 2.610 12.839 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.224 5.773 13.110 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.719 4.833 13.057 1.00 0.00 H new ATOM 128 P DG A 5 4.685 6.041 15.098 1.00 0.00 P ATOM 129 OP1 DG A 5 5.453 7.238 15.495 1.00 0.00 O ATOM 130 OP2 DG A 5 4.999 4.794 15.837 1.00 0.00 O ATOM 131 O5' DG A 5 3.121 6.337 15.200 1.00 0.00 O ATOM 132 C5' DG A 5 2.523 7.259 14.254 1.00 0.00 C ATOM 133 C4' DG A 5 1.406 8.026 14.924 1.00 0.00 C ATOM 134 O4' DG A 5 0.207 7.187 14.941 1.00 0.00 O ATOM 135 C3' DG A 5 1.624 8.400 16.389 1.00 0.00 C ATOM 136 O3' DG A 5 0.841 9.525 16.780 1.00 0.00 O ATOM 137 C2' DG A 5 1.132 7.167 17.130 1.00 0.00 C ATOM 138 C1' DG A 5 -0.024 6.708 16.251 1.00 0.00 C ATOM 139 N9 DG A 5 -0.170 5.229 16.175 1.00 0.00 N ATOM 140 C8 DG A 5 0.808 4.257 16.129 1.00 0.00 C ATOM 141 N7 DG A 5 0.344 3.036 16.067 1.00 0.00 N ATOM 142 C5 DG A 5 -1.043 3.201 16.067 1.00 0.00 C ATOM 143 C6 DG A 5 -2.077 2.239 16.012 1.00 0.00 C ATOM 144 O6 DG A 5 -1.993 1.012 15.949 1.00 0.00 O ATOM 145 N1 DG A 5 -3.345 2.845 16.038 1.00 0.00 N ATOM 146 C2 DG A 5 -3.572 4.204 16.114 1.00 0.00 C ATOM 147 N2 DG A 5 -4.852 4.587 16.133 1.00 0.00 N ATOM 148 N3 DG A 5 -2.600 5.110 16.159 1.00 0.00 N ATOM 149 C4 DG A 5 -1.364 4.545 16.132 1.00 0.00 C ATOM 0 H5' DG A 5 2.136 6.712 13.394 1.00 0.00 H new ATOM 0 H5'' DG A 5 3.278 7.950 13.879 1.00 0.00 H new ATOM 0 H4' DG A 5 1.337 8.946 14.344 1.00 0.00 H new ATOM 0 H3' DG A 5 2.660 8.672 16.590 1.00 0.00 H new ATOM 0 H2' DG A 5 1.907 6.406 17.214 1.00 0.00 H new ATOM 0 H2'' DG A 5 0.805 7.403 18.143 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.939 7.100 16.695 1.00 0.00 H new ATOM 0 H8 DG A 5 1.864 4.484 16.143 1.00 0.00 H new ATOM 0 H1 DG A 5 -4.160 2.233 15.998 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.087 5.578 16.188 1.00 0.00 H new ATOM 0 H22 DG A 5 -5.594 3.888 16.092 1.00 0.00 H new ATOM 161 P DG A 6 0.777 10.123 18.280 1.00 0.00 P ATOM 162 OP1 DG A 6 0.588 11.589 18.196 1.00 0.00 O ATOM 163 OP2 DG A 6 1.900 9.566 19.069 1.00 0.00 O ATOM 164 O5' DG A 6 -0.610 9.474 18.794 1.00 0.00 O ATOM 165 C5' DG A 6 -1.834 9.809 18.162 1.00 0.00 C ATOM 166 C4' DG A 6 -3.021 9.066 18.779 1.00 0.00 C ATOM 167 O4' DG A 6 -2.966 7.686 18.465 1.00 0.00 O ATOM 168 C3' DG A 6 -3.103 9.186 20.311 1.00 0.00 C ATOM 169 O3' DG A 6 -4.385 9.629 20.724 1.00 0.00 O ATOM 170 C2' DG A 6 -2.931 7.735 20.751 1.00 0.00 C ATOM 171 C1' DG A 6 -3.539 7.006 19.559 1.00 0.00 C ATOM 172 N9 DG A 6 -3.217 5.564 19.520 1.00 0.00 N ATOM 173 C8 DG A 6 -1.982 4.967 19.511 1.00 0.00 C ATOM 174 N7 DG A 6 -2.015 3.677 19.334 1.00 0.00 N ATOM 175 C5 DG A 6 -3.368 3.391 19.215 1.00 0.00 C ATOM 176 C6 DG A 6 -4.017 2.154 18.926 1.00 0.00 C ATOM 177 O6 DG A 6 -3.503 1.060 18.720 1.00 0.00 O ATOM 178 N1 DG A 6 -5.399 2.276 18.869 1.00 0.00 N ATOM 179 C2 DG A 6 -6.085 3.461 19.030 1.00 0.00 C ATOM 180 N2 DG A 6 -7.412 3.395 18.902 1.00 0.00 N ATOM 181 N3 DG A 6 -5.477 4.637 19.265 1.00 0.00 N ATOM 182 C4 DG A 6 -4.119 4.536 19.348 1.00 0.00 C ATOM 0 H5' DG A 6 -1.770 9.572 17.100 1.00 0.00 H new ATOM 0 H5'' DG A 6 -1.999 10.884 18.239 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.903 9.542 18.350 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.378 9.890 20.720 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.885 7.471 20.908 1.00 0.00 H new ATOM 0 H2'' DG A 6 -3.457 7.519 21.681 1.00 0.00 H new ATOM 0 H1' DG A 6 -4.629 7.022 19.580 1.00 0.00 H new ATOM 0 H8 DG A 6 -1.062 5.519 19.639 1.00 0.00 H new ATOM 0 H1 DG A 6 -5.944 1.431 18.696 1.00 0.00 H new ATOM 0 H21 DG A 6 -7.977 4.237 19.010 1.00 0.00 H new ATOM 0 H22 DG A 6 -7.861 2.502 18.697 1.00 0.00 H new ATOM 194 P DT A 7 -4.800 11.189 20.724 1.00 0.00 P ATOM 195 OP1 DT A 7 -3.959 11.910 19.742 1.00 0.00 O ATOM 196 OP2 DT A 7 -4.822 11.647 22.131 1.00 0.00 O ATOM 197 O5' DT A 7 -6.328 11.183 20.190 1.00 0.00 O ATOM 198 C5' DT A 7 -6.656 10.880 18.843 1.00 0.00 C ATOM 199 C4' DT A 7 -7.501 9.604 18.750 1.00 0.00 C ATOM 200 O4' DT A 7 -6.881 8.521 19.423 1.00 0.00 O ATOM 201 C3' DT A 7 -8.905 9.759 19.358 1.00 0.00 C ATOM 202 O3' DT A 7 -9.908 9.580 18.375 1.00 0.00 O ATOM 203 C2' DT A 7 -8.974 8.634 20.387 1.00 0.00 C ATOM 204 C1' DT A 7 -7.917 7.668 19.868 1.00 0.00 C ATOM 205 N1 DT A 7 -7.486 6.710 20.924 1.00 0.00 N ATOM 206 C2 DT A 7 -8.153 5.489 21.005 1.00 0.00 C ATOM 207 O2 DT A 7 -9.132 5.218 20.312 1.00 0.00 O ATOM 208 N3 DT A 7 -7.639 4.562 21.904 1.00 0.00 N ATOM 209 C4 DT A 7 -6.563 4.769 22.754 1.00 0.00 C ATOM 210 O4 DT A 7 -6.145 3.854 23.459 1.00 0.00 O ATOM 211 C5 DT A 7 -6.025 6.117 22.718 1.00 0.00 C ATOM 212 C7 DT A 7 -4.946 6.508 23.710 1.00 0.00 C ATOM 213 C6 DT A 7 -6.487 7.023 21.817 1.00 0.00 C ATOM 0 H5' DT A 7 -5.742 10.757 18.263 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.203 11.714 18.403 1.00 0.00 H new ATOM 0 H4' DT A 7 -7.588 9.410 17.681 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.068 10.749 19.784 1.00 0.00 H new ATOM 0 H2' DT A 7 -8.746 8.986 21.393 1.00 0.00 H new ATOM 0 H2'' DT A 7 -9.962 8.176 20.426 1.00 0.00 H new ATOM 0 HO3' DT A 7 -9.556 9.028 17.645 1.00 0.00 H new ATOM 0 H1' DT A 7 -8.274 7.020 19.067 1.00 0.00 H new ATOM 0 H3 DT A 7 -8.093 3.649 21.942 1.00 0.00 H new ATOM 0 H71 DT A 7 -5.073 5.937 24.630 1.00 0.00 H new ATOM 0 H72 DT A 7 -3.966 6.296 23.283 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.023 7.573 23.931 1.00 0.00 H new ATOM 0 H6 DT A 7 -6.059 8.014 21.801 1.00 0.00 H new TER 227 DT A 7 ATOM 228 O5' DT B 8 -3.773 9.395 -0.023 1.00 0.00 O ATOM 229 C5' DT B 8 -4.744 9.560 -1.087 1.00 0.00 C ATOM 230 C4' DT B 8 -6.073 8.983 -0.659 1.00 0.00 C ATOM 231 O4' DT B 8 -6.037 7.532 -0.850 1.00 0.00 O ATOM 232 C3' DT B 8 -6.448 9.159 0.811 1.00 0.00 C ATOM 233 O3' DT B 8 -7.857 9.094 1.020 1.00 0.00 O ATOM 234 C2' DT B 8 -5.789 7.960 1.475 1.00 0.00 C ATOM 235 C1' DT B 8 -5.931 6.886 0.404 1.00 0.00 C ATOM 236 N1 DT B 8 -4.777 5.950 0.336 1.00 0.00 N ATOM 237 C2 DT B 8 -5.055 4.624 0.077 1.00 0.00 C ATOM 238 O2 DT B 8 -6.187 4.209 -0.094 1.00 0.00 O ATOM 239 N3 DT B 8 -3.954 3.792 0.022 1.00 0.00 N ATOM 240 C4 DT B 8 -2.639 4.156 0.202 1.00 0.00 C ATOM 241 O4 DT B 8 -1.734 3.316 0.130 1.00 0.00 O ATOM 242 C5 DT B 8 -2.446 5.560 0.473 1.00 0.00 C ATOM 243 C7 DT B 8 -1.027 6.003 0.668 1.00 0.00 C ATOM 244 C6 DT B 8 -3.495 6.404 0.527 1.00 0.00 C ATOM 0 H5' DT B 8 -4.395 9.062 -1.991 1.00 0.00 H new ATOM 0 H5'' DT B 8 -4.857 10.617 -1.329 1.00 0.00 H new ATOM 0 H4' DT B 8 -6.799 9.527 -1.263 1.00 0.00 H new ATOM 0 H3' DT B 8 -6.132 10.128 1.198 1.00 0.00 H new ATOM 0 H2' DT B 8 -4.745 8.154 1.723 1.00 0.00 H new ATOM 0 H2'' DT B 8 -6.290 7.681 2.402 1.00 0.00 H new ATOM 0 HO5' DT B 8 -2.912 9.769 -0.305 1.00 0.00 H new ATOM 0 H1' DT B 8 -6.811 6.296 0.658 1.00 0.00 H new ATOM 0 H3 DT B 8 -4.134 2.807 -0.172 1.00 0.00 H new ATOM 0 H71 DT B 8 -0.445 5.184 1.090 1.00 0.00 H new ATOM 0 H72 DT B 8 -0.601 6.294 -0.292 1.00 0.00 H new ATOM 0 H73 DT B 8 -1.002 6.854 1.349 1.00 0.00 H new ATOM 0 H6 DT B 8 -3.325 7.452 0.723 1.00 0.00 H new ATOM 258 P DT B 9 -8.418 8.659 2.447 1.00 0.00 P ATOM 259 OP1 DT B 9 -9.701 9.339 2.708 1.00 0.00 O ATOM 260 OP2 DT B 9 -7.360 8.856 3.469 1.00 0.00 O ATOM 261 O5' DT B 9 -8.661 7.098 2.230 1.00 0.00 O ATOM 262 C5' DT B 9 -9.345 6.659 1.030 1.00 0.00 C ATOM 263 C4' DT B 9 -10.183 5.439 1.337 1.00 0.00 C ATOM 264 O4' DT B 9 -9.315 4.262 1.332 1.00 0.00 O ATOM 265 C3' DT B 9 -10.855 5.405 2.709 1.00 0.00 C ATOM 266 O3' DT B 9 -12.001 4.558 2.726 1.00 0.00 O ATOM 267 C2' DT B 9 -9.777 4.806 3.598 1.00 0.00 C ATOM 268 C1' DT B 9 -9.101 3.818 2.658 1.00 0.00 C ATOM 269 N1 DT B 9 -7.632 3.700 2.866 1.00 0.00 N ATOM 270 C2 DT B 9 -7.075 2.445 2.734 1.00 0.00 C ATOM 271 O2 DT B 9 -7.733 1.457 2.460 1.00 0.00 O ATOM 272 N3 DT B 9 -5.710 2.383 2.935 1.00 0.00 N ATOM 273 C4 DT B 9 -4.877 3.432 3.249 1.00 0.00 C ATOM 274 O4 DT B 9 -3.664 3.252 3.406 1.00 0.00 O ATOM 275 C5 DT B 9 -5.548 4.704 3.370 1.00 0.00 C ATOM 276 C7 DT B 9 -4.678 5.878 3.704 1.00 0.00 C ATOM 277 C6 DT B 9 -6.878 4.805 3.175 1.00 0.00 C ATOM 0 H5' DT B 9 -8.619 6.426 0.251 1.00 0.00 H new ATOM 0 H5'' DT B 9 -9.978 7.460 0.647 1.00 0.00 H new ATOM 0 H4' DT B 9 -10.963 5.461 0.576 1.00 0.00 H new ATOM 0 H3' DT B 9 -11.206 6.390 3.016 1.00 0.00 H new ATOM 0 H2' DT B 9 -9.082 5.563 3.962 1.00 0.00 H new ATOM 0 H2'' DT B 9 -10.199 4.312 4.474 1.00 0.00 H new ATOM 0 H1' DT B 9 -9.535 2.838 2.858 1.00 0.00 H new ATOM 0 H3 DT B 9 -5.275 1.465 2.841 1.00 0.00 H new ATOM 0 H71 DT B 9 -3.829 5.544 4.300 1.00 0.00 H new ATOM 0 H72 DT B 9 -4.317 6.337 2.784 1.00 0.00 H new ATOM 0 H73 DT B 9 -5.254 6.608 4.272 1.00 0.00 H new ATOM 0 H6 DT B 9 -7.357 5.769 3.263 1.00 0.00 H new ATOM 290 P DA B 10 -12.871 4.178 4.060 1.00 0.00 P ATOM 291 OP1 DA B 10 -14.291 4.099 3.653 1.00 0.00 O ATOM 292 OP2 DA B 10 -12.485 5.121 5.137 1.00 0.00 O ATOM 293 O5' DA B 10 -12.399 2.671 4.508 1.00 0.00 O ATOM 294 C5' DA B 10 -13.006 1.500 3.957 1.00 0.00 C ATOM 295 C4' DA B 10 -12.381 0.155 4.401 1.00 0.00 C ATOM 296 O4' DA B 10 -10.973 0.226 4.214 1.00 0.00 O ATOM 297 C3' DA B 10 -12.646 -0.289 5.863 1.00 0.00 C ATOM 298 O3' DA B 10 -12.804 -1.716 5.992 1.00 0.00 O ATOM 299 C2' DA B 10 -11.320 0.109 6.491 1.00 0.00 C ATOM 300 C1' DA B 10 -10.377 -0.307 5.375 1.00 0.00 C ATOM 301 N9 DA B 10 -8.991 0.155 5.588 1.00 0.00 N ATOM 302 C8 DA B 10 -8.500 1.428 5.744 1.00 0.00 C ATOM 303 N7 DA B 10 -7.202 1.486 5.880 1.00 0.00 N ATOM 304 C5 DA B 10 -6.804 0.154 5.806 1.00 0.00 C ATOM 305 C6 DA B 10 -5.551 -0.494 5.862 1.00 0.00 C ATOM 306 N6 DA B 10 -4.403 0.152 6.064 1.00 0.00 N ATOM 307 N1 DA B 10 -5.509 -1.834 5.736 1.00 0.00 N ATOM 308 C2 DA B 10 -6.648 -2.505 5.610 1.00 0.00 C ATOM 309 N3 DA B 10 -7.885 -2.021 5.572 1.00 0.00 N ATOM 310 C4 DA B 10 -7.892 -0.664 5.657 1.00 0.00 C ATOM 0 H5' DA B 10 -12.956 1.563 2.870 1.00 0.00 H new ATOM 0 H5'' DA B 10 -14.062 1.497 4.228 1.00 0.00 H new ATOM 0 H4' DA B 10 -12.873 -0.594 3.780 1.00 0.00 H new ATOM 0 H3' DA B 10 -13.552 0.140 6.290 1.00 0.00 H new ATOM 0 H2' DA B 10 -11.264 1.175 6.711 1.00 0.00 H new ATOM 0 H2'' DA B 10 -11.123 -0.419 7.424 1.00 0.00 H new ATOM 0 H1' DA B 10 -10.260 -1.389 5.313 1.00 0.00 H new ATOM 0 H8 DA B 10 -9.131 2.304 5.753 1.00 0.00 H new ATOM 0 H61 DA B 10 -3.525 -0.366 6.095 1.00 0.00 H new ATOM 0 H62 DA B 10 -4.402 1.165 6.187 1.00 0.00 H new ATOM 0 H2 DA B 10 -6.558 -3.578 5.528 1.00 0.00 H new ATOM 322 P DG B 11 -13.580 -2.422 7.255 1.00 0.00 P ATOM 323 OP1 DG B 11 -14.854 -2.954 6.723 1.00 0.00 O ATOM 324 OP2 DG B 11 -13.642 -1.435 8.355 1.00 0.00 O ATOM 325 O5' DG B 11 -12.715 -3.708 7.801 1.00 0.00 O ATOM 326 C5' DG B 11 -13.182 -4.499 8.908 1.00 0.00 C ATOM 327 C4' DG B 11 -12.207 -5.615 9.379 1.00 0.00 C ATOM 328 O4' DG B 11 -10.939 -5.003 9.592 1.00 0.00 O ATOM 329 C3' DG B 11 -12.607 -6.290 10.730 1.00 0.00 C ATOM 330 O3' DG B 11 -12.133 -7.657 10.842 1.00 0.00 O ATOM 331 C2' DG B 11 -11.931 -5.289 11.676 1.00 0.00 C ATOM 332 C1' DG B 11 -10.609 -5.118 10.962 1.00 0.00 C ATOM 333 N9 DG B 11 -9.829 -3.976 11.478 1.00 0.00 N ATOM 334 C8 DG B 11 -10.249 -2.750 11.928 1.00 0.00 C ATOM 335 N7 DG B 11 -9.277 -1.937 12.236 1.00 0.00 N ATOM 336 C5 DG B 11 -8.131 -2.684 12.006 1.00 0.00 C ATOM 337 C6 DG B 11 -6.759 -2.324 12.124 1.00 0.00 C ATOM 338 O6 DG B 11 -6.290 -1.262 12.517 1.00 0.00 O ATOM 339 N1 DG B 11 -5.902 -3.343 11.723 1.00 0.00 N ATOM 340 C2 DG B 11 -6.327 -4.604 11.332 1.00 0.00 C ATOM 341 N2 DG B 11 -5.406 -5.529 11.065 1.00 0.00 N ATOM 342 N3 DG B 11 -7.616 -4.949 11.235 1.00 0.00 N ATOM 343 C4 DG B 11 -8.463 -3.941 11.564 1.00 0.00 C ATOM 0 H5' DG B 11 -14.130 -4.960 8.631 1.00 0.00 H new ATOM 0 H5'' DG B 11 -13.384 -3.836 9.749 1.00 0.00 H new ATOM 0 H4' DG B 11 -12.215 -6.388 8.610 1.00 0.00 H new ATOM 0 H3' DG B 11 -13.672 -6.438 10.908 1.00 0.00 H new ATOM 0 H2' DG B 11 -12.485 -4.354 11.760 1.00 0.00 H new ATOM 0 H2'' DG B 11 -11.813 -5.682 12.686 1.00 0.00 H new ATOM 0 H1' DG B 11 -9.946 -5.967 11.130 1.00 0.00 H new ATOM 0 H8 DG B 11 -11.291 -2.482 12.019 1.00 0.00 H new ATOM 0 H1 DG B 11 -4.900 -3.151 11.716 1.00 0.00 H new ATOM 0 H21 DG B 11 -5.692 -6.464 10.775 1.00 0.00 H new ATOM 0 H22 DG B 11 -4.415 -5.302 11.150 1.00 0.00 H new ATOM 355 P DG B 12 -11.967 -8.472 12.274 1.00 0.00 P ATOM 356 OP1 DG B 12 -12.483 -9.853 12.205 1.00 0.00 O ATOM 357 OP2 DG B 12 -12.568 -7.606 13.317 1.00 0.00 O ATOM 358 O5' DG B 12 -10.382 -8.489 12.449 1.00 0.00 O ATOM 359 C5' DG B 12 -9.562 -8.934 11.339 1.00 0.00 C ATOM 360 C4' DG B 12 -8.340 -9.653 11.862 1.00 0.00 C ATOM 361 O4' DG B 12 -7.346 -8.656 12.260 1.00 0.00 O ATOM 362 C3' DG B 12 -8.539 -10.507 13.113 1.00 0.00 C ATOM 363 O3' DG B 12 -7.555 -11.532 13.227 1.00 0.00 O ATOM 364 C2' DG B 12 -8.350 -9.505 14.240 1.00 0.00 C ATOM 365 C1' DG B 12 -7.278 -8.584 13.671 1.00 0.00 C ATOM 366 N9 DG B 12 -7.444 -7.158 14.062 1.00 0.00 N ATOM 367 C8 DG B 12 -8.600 -6.421 14.208 1.00 0.00 C ATOM 368 N7 DG B 12 -8.401 -5.180 14.569 1.00 0.00 N ATOM 369 C5 DG B 12 -7.012 -5.076 14.668 1.00 0.00 C ATOM 370 C6 DG B 12 -6.202 -3.972 15.018 1.00 0.00 C ATOM 371 O6 DG B 12 -6.539 -2.827 15.321 1.00 0.00 O ATOM 372 N1 DG B 12 -4.837 -4.308 14.996 1.00 0.00 N ATOM 373 C2 DG B 12 -4.333 -5.554 14.682 1.00 0.00 C ATOM 374 N2 DG B 12 -3.003 -5.678 14.721 1.00 0.00 N ATOM 375 N3 DG B 12 -5.095 -6.592 14.345 1.00 0.00 N ATOM 376 C4 DG B 12 -6.419 -6.287 14.358 1.00 0.00 C ATOM 0 H5' DG B 12 -9.261 -8.080 10.732 1.00 0.00 H new ATOM 0 H5'' DG B 12 -10.137 -9.597 10.693 1.00 0.00 H new ATOM 0 H4' DG B 12 -8.054 -10.312 11.042 1.00 0.00 H new ATOM 0 H3' DG B 12 -9.503 -11.016 13.110 1.00 0.00 H new ATOM 0 H2' DG B 12 -9.271 -8.968 14.466 1.00 0.00 H new ATOM 0 H2'' DG B 12 -8.026 -9.986 15.163 1.00 0.00 H new ATOM 0 H1' DG B 12 -6.321 -8.920 14.071 1.00 0.00 H new ATOM 0 H8 DG B 12 -9.584 -6.833 14.039 1.00 0.00 H new ATOM 0 H1 DG B 12 -4.168 -3.575 15.230 1.00 0.00 H new ATOM 0 H21 DG B 12 -2.568 -6.573 14.499 1.00 0.00 H new ATOM 0 H22 DG B 12 -2.423 -4.877 14.972 1.00 0.00 H new ATOM 388 P DG B 13 -7.644 -12.707 14.332 1.00 0.00 P ATOM 389 OP1 DG B 13 -7.116 -13.952 13.730 1.00 0.00 O ATOM 390 OP2 DG B 13 -8.989 -12.694 14.951 1.00 0.00 O ATOM 391 O5' DG B 13 -6.573 -12.187 15.407 1.00 0.00 O ATOM 392 C5' DG B 13 -5.192 -12.200 15.106 1.00 0.00 C ATOM 393 C4' DG B 13 -4.426 -11.367 16.128 1.00 0.00 C ATOM 394 O4' DG B 13 -4.788 -10.003 16.033 1.00 0.00 O ATOM 395 C3' DG B 13 -4.672 -11.790 17.588 1.00 0.00 C ATOM 396 O3' DG B 13 -3.493 -12.296 18.186 1.00 0.00 O ATOM 397 C2' DG B 13 -5.040 -10.472 18.266 1.00 0.00 C ATOM 398 C1' DG B 13 -4.456 -9.465 17.288 1.00 0.00 C ATOM 399 N9 DG B 13 -4.944 -8.082 17.471 1.00 0.00 N ATOM 400 C8 DG B 13 -6.214 -7.567 17.385 1.00 0.00 C ATOM 401 N7 DG B 13 -6.278 -6.277 17.579 1.00 0.00 N ATOM 402 C5 DG B 13 -4.955 -5.907 17.804 1.00 0.00 C ATOM 403 C6 DG B 13 -4.378 -4.625 18.054 1.00 0.00 C ATOM 404 O6 DG B 13 -4.957 -3.547 18.138 1.00 0.00 O ATOM 405 N1 DG B 13 -2.992 -4.675 18.202 1.00 0.00 N ATOM 406 C2 DG B 13 -2.248 -5.839 18.118 1.00 0.00 C ATOM 407 N2 DG B 13 -0.929 -5.757 18.298 1.00 0.00 N ATOM 408 N3 DG B 13 -2.787 -7.040 17.877 1.00 0.00 N ATOM 409 C4 DG B 13 -4.137 -7.006 17.733 1.00 0.00 C ATOM 0 H5' DG B 13 -5.026 -11.804 14.104 1.00 0.00 H new ATOM 0 H5'' DG B 13 -4.821 -13.225 15.109 1.00 0.00 H new ATOM 0 H4' DG B 13 -3.376 -11.531 15.887 1.00 0.00 H new ATOM 0 H3' DG B 13 -5.426 -12.573 17.670 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.118 -10.356 18.382 1.00 0.00 H new ATOM 0 H2'' DG B 13 -4.601 -10.383 19.260 1.00 0.00 H new ATOM 0 H1' DG B 13 -3.382 -9.341 17.430 1.00 0.00 H new ATOM 0 H8 DG B 13 -7.082 -8.174 17.176 1.00 0.00 H new ATOM 0 H1 DG B 13 -2.497 -3.802 18.383 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.353 -6.597 18.242 1.00 0.00 H new ATOM 0 H22 DG B 13 -0.496 -4.854 18.491 1.00 0.00 H new ATOM 421 P DT B 14 -2.911 -13.752 17.818 1.00 0.00 P ATOM 422 OP1 DT B 14 -2.309 -13.690 16.466 1.00 0.00 O ATOM 423 OP2 DT B 14 -3.969 -14.748 18.099 1.00 0.00 O ATOM 424 O5' DT B 14 -1.726 -13.946 18.898 1.00 0.00 O ATOM 425 C5' DT B 14 -0.538 -13.171 18.861 1.00 0.00 C ATOM 426 C4' DT B 14 -0.435 -12.219 20.058 1.00 0.00 C ATOM 427 O4' DT B 14 -1.503 -11.295 20.111 1.00 0.00 O ATOM 428 C3' DT B 14 -0.473 -12.918 21.414 1.00 0.00 C ATOM 429 O3' DT B 14 0.747 -13.554 21.730 1.00 0.00 O ATOM 430 C2' DT B 14 -0.745 -11.726 22.323 1.00 0.00 C ATOM 431 C1' DT B 14 -1.584 -10.793 21.438 1.00 0.00 C ATOM 432 N1 DT B 14 -2.995 -10.752 21.913 1.00 0.00 N ATOM 433 C2 DT B 14 -3.368 -9.727 22.785 1.00 0.00 C ATOM 434 O2 DT B 14 -2.591 -8.855 23.167 1.00 0.00 O ATOM 435 N3 DT B 14 -4.683 -9.746 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1.00 0.00 H new ATOM 0 H5'' DT C 15 -11.723 -2.393 -3.307 1.00 0.00 H new ATOM 0 H4' DT C 15 -10.540 -4.279 -3.236 1.00 0.00 H new ATOM 0 H3' DT C 15 -11.575 -3.889 -0.860 1.00 0.00 H new ATOM 0 H2' DT C 15 -9.802 -2.473 0.113 1.00 0.00 H new ATOM 0 H2'' DT C 15 -9.352 -4.055 0.718 1.00 0.00 H new ATOM 0 HO5' DT C 15 -10.411 -0.517 -1.941 1.00 0.00 H new ATOM 0 H1' DT C 15 -7.673 -4.336 -0.808 1.00 0.00 H new ATOM 0 H3 DT C 15 -4.266 -1.432 -0.788 1.00 0.00 H new ATOM 0 H71 DT C 15 -7.040 2.001 0.382 1.00 0.00 H new ATOM 0 H72 DT C 15 -7.898 1.931 -1.176 1.00 0.00 H new ATOM 0 H73 DT C 15 -8.693 1.344 0.304 1.00 0.00 H new ATOM 0 H6 DT C 15 -9.037 -0.929 -0.620 1.00 0.00 H new ATOM 485 P DT C 16 -10.192 -6.219 0.406 1.00 0.00 P ATOM 486 OP1 DT C 16 -10.825 -7.552 0.430 1.00 0.00 O ATOM 487 OP2 DT C 16 -10.618 -5.279 1.471 1.00 0.00 O ATOM 488 O5' DT C 16 -8.605 -6.367 0.433 1.00 0.00 O ATOM 489 C5' DT C 16 -7.934 -6.908 -0.733 1.00 0.00 C ATOM 490 C4' DT C 16 -6.732 -7.715 -0.302 1.00 0.00 C ATOM 491 O4' DT C 16 -5.625 -6.798 -0.030 1.00 0.00 O ATOM 492 C3' DT C 16 -6.881 -8.518 0.989 1.00 0.00 C ATOM 493 O3' DT C 16 -5.979 -9.621 1.045 1.00 0.00 O ATOM 494 C2' DT C 16 -6.503 -7.509 2.061 1.00 0.00 C ATOM 495 C1' DT C 16 -5.418 -6.697 1.365 1.00 0.00 C ATOM 496 N1 DT C 16 -5.426 -5.253 1.723 1.00 0.00 N ATOM 497 C2 DT C 16 -4.203 -4.629 1.856 1.00 0.00 C ATOM 498 O2 DT C 16 -3.145 -5.210 1.694 1.00 0.00 O ATOM 499 N3 DT C 16 -4.259 -3.289 2.187 1.00 0.00 N ATOM 500 C4 DT C 16 -5.395 -2.541 2.394 1.00 0.00 C ATOM 501 O4 DT C 16 -5.318 -1.342 2.689 1.00 0.00 O ATOM 502 C5 DT C 16 -6.625 -3.278 2.238 1.00 0.00 C ATOM 503 C7 DT C 16 -7.890 -2.500 2.447 1.00 0.00 C ATOM 504 C6 DT C 16 -6.611 -4.585 1.909 1.00 0.00 C ATOM 0 H5' DT C 16 -7.623 -6.098 -1.393 1.00 0.00 H new ATOM 0 H5'' DT C 16 -8.621 -7.536 -1.301 1.00 0.00 H new ATOM 0 H4' DT C 16 -6.581 -8.415 -1.124 1.00 0.00 H new ATOM 0 H3' DT C 16 -7.880 -8.942 1.092 1.00 0.00 H new ATOM 0 H2' DT C 16 -7.350 -6.890 2.355 1.00 0.00 H new ATOM 0 H2'' DT C 16 -6.133 -7.993 2.965 1.00 0.00 H new ATOM 0 H1' DT C 16 -4.459 -7.103 1.686 1.00 0.00 H new ATOM 0 H3 DT C 16 -3.367 -2.805 2.288 1.00 0.00 H new ATOM 0 H71 DT C 16 -7.711 -1.700 3.165 1.00 0.00 H new ATOM 0 H72 DT C 16 -8.214 -2.071 1.499 1.00 0.00 H new ATOM 0 H73 DT C 16 -8.666 -3.163 2.829 1.00 0.00 H new ATOM 0 H6 DT C 16 -7.545 -5.114 1.790 1.00 0.00 H new ATOM 517 P DA C 17 -6.117 -10.791 2.158 1.00 0.00 P ATOM 518 OP1 DA C 17 -5.756 -12.076 1.521 1.00 0.00 O ATOM 519 OP2 DA C 17 -7.432 -10.649 2.826 1.00 0.00 O ATOM 520 O5' DA C 17 -4.958 -10.423 3.217 1.00 0.00 O ATOM 521 C5' DA C 17 -5.170 -10.498 4.614 1.00 0.00 C ATOM 522 C4' DA C 17 -3.821 -10.354 5.325 1.00 0.00 C ATOM 523 O4' DA C 17 -3.252 -9.096 4.999 1.00 0.00 O ATOM 524 C3' DA C 17 -3.969 -10.410 6.850 1.00 0.00 C ATOM 525 O3' DA C 17 -2.830 -11.070 7.377 1.00 0.00 O ATOM 526 C2' DA C 17 -4.015 -8.928 7.213 1.00 0.00 C ATOM 527 C1' DA C 17 -3.054 -8.345 6.181 1.00 0.00 C ATOM 528 N9 DA C 17 -3.326 -6.919 5.895 1.00 0.00 N ATOM 529 C8 DA C 17 -4.450 -6.363 5.333 1.00 0.00 C ATOM 530 N7 DA C 17 -4.350 -5.090 5.079 1.00 0.00 N ATOM 531 C5 DA C 17 -3.065 -4.772 5.502 1.00 0.00 C ATOM 532 C6 DA C 17 -2.312 -3.581 5.469 1.00 0.00 C ATOM 533 N6 DA C 17 -2.791 -2.436 4.971 1.00 0.00 N ATOM 534 N1 DA C 17 -1.050 -3.606 5.945 1.00 0.00 N ATOM 535 C2 DA C 17 -0.564 -4.747 6.427 1.00 0.00 C ATOM 536 N3 DA C 17 -1.164 -5.932 6.505 1.00 0.00 N ATOM 537 C4 DA C 17 -2.433 -5.879 6.013 1.00 0.00 C ATOM 0 H5' DA C 17 -5.635 -11.449 4.875 1.00 0.00 H new ATOM 0 H5'' DA C 17 -5.852 -9.711 4.935 1.00 0.00 H new ATOM 0 H4' DA C 17 -3.191 -11.181 4.996 1.00 0.00 H new ATOM 0 H3' DA C 17 -4.835 -10.950 7.234 1.00 0.00 H new ATOM 0 H2' DA C 17 -5.019 -8.512 7.123 1.00 0.00 H new ATOM 0 H2'' DA C 17 -3.684 -8.743 8.235 1.00 0.00 H new ATOM 0 H1' DA C 17 -2.033 -8.399 6.559 1.00 0.00 H new ATOM 0 H8 DA C 17 -5.342 -6.934 5.120 1.00 0.00 H new ATOM 0 H61 DA C 17 -2.209 -1.598 4.968 1.00 0.00 H new ATOM 0 H62 DA C 17 -3.738 -2.401 4.594 1.00 0.00 H new ATOM 0 H2 DA C 17 0.448 -4.706 6.803 1.00 0.00 H new ATOM 549 P DG C 18 -2.662 -11.416 8.946 1.00 0.00 P ATOM 550 OP1 DG C 18 -2.056 -12.763 9.039 1.00 0.00 O ATOM 551 OP2 DG C 18 -3.941 -11.143 9.638 1.00 0.00 O ATOM 552 O5' DG C 18 -1.572 -10.337 9.440 1.00 0.00 O ATOM 553 C5' DG C 18 -0.233 -10.382 8.978 1.00 0.00 C ATOM 554 C4' DG C 18 0.602 -9.290 9.650 1.00 0.00 C ATOM 555 O4' DG C 18 0.049 -8.019 9.343 1.00 0.00 O ATOM 556 C3' DG C 18 0.638 -9.437 11.183 1.00 0.00 C ATOM 557 O3' DG C 18 1.981 -9.521 11.645 1.00 0.00 O ATOM 558 C2' DG C 18 -0.075 -8.165 11.637 1.00 0.00 C ATOM 559 C1' DG C 18 0.209 -7.210 10.487 1.00 0.00 C ATOM 560 N9 DG C 18 -0.755 -6.094 10.535 1.00 0.00 N ATOM 561 C8 DG C 18 -2.078 -6.107 10.182 1.00 0.00 C ATOM 562 N7 DG C 18 -2.727 -5.037 10.538 1.00 0.00 N ATOM 563 C5 DG C 18 -1.772 -4.243 11.152 1.00 0.00 C ATOM 564 C6 DG C 18 -1.903 -2.959 11.759 1.00 0.00 C ATOM 565 O6 DG C 18 -2.937 -2.322 11.954 1.00 0.00 O ATOM 566 N1 DG C 18 -0.672 -2.433 12.151 1.00 0.00 N ATOM 567 C2 DG C 18 0.529 -3.120 12.060 1.00 0.00 C ATOM 568 N2 DG C 18 1.632 -2.488 12.471 1.00 0.00 N ATOM 569 N3 DG C 18 0.633 -4.369 11.578 1.00 0.00 N ATOM 570 C4 DG C 18 -0.547 -4.865 11.120 1.00 0.00 C ATOM 0 H5' DG C 18 -0.211 -10.251 7.896 1.00 0.00 H new ATOM 0 H5'' DG C 18 0.198 -11.360 9.190 1.00 0.00 H new ATOM 0 H4' DG C 18 1.619 -9.386 9.271 1.00 0.00 H new ATOM 0 H3' DG C 18 0.167 -10.340 11.571 1.00 0.00 H new ATOM 0 H2' DG C 18 -1.144 -8.326 11.778 1.00 0.00 H new ATOM 0 H2'' DG C 18 0.319 -7.793 12.582 1.00 0.00 H new ATOM 0 H1' DG C 18 1.197 -6.749 10.511 1.00 0.00 H new ATOM 0 H8 DG C 18 -2.540 -6.930 9.657 1.00 0.00 H new ATOM 0 H1 DG C 18 -0.654 -1.485 12.528 1.00 0.00 H new ATOM 0 H21 DG C 18 2.537 -2.957 12.422 1.00 0.00 H new ATOM 0 H22 DG C 18 1.569 -1.537 12.834 1.00 0.00 H new ATOM 582 P DG C 19 2.341 -9.576 13.225 1.00 0.00 P ATOM 583 OP1 DG C 19 3.550 -10.396 13.436 1.00 0.00 O ATOM 584 OP2 DG C 19 1.124 -10.014 13.951 1.00 0.00 O ATOM 585 O5' DG C 19 2.646 -8.051 13.575 1.00 0.00 O ATOM 586 C5' DG C 19 3.530 -7.298 12.707 1.00 0.00 C ATOM 587 C4' DG C 19 4.328 -6.308 13.523 1.00 0.00 C ATOM 588 O4' DG C 19 3.495 -5.132 13.775 1.00 0.00 O ATOM 589 C3' DG C 19 4.762 -6.768 14.913 1.00 0.00 C ATOM 590 O3' DG C 19 5.905 -6.058 15.383 1.00 0.00 O ATOM 591 C2' DG C 19 3.562 -6.412 15.777 1.00 0.00 C ATOM 592 C1' DG C 19 3.072 -5.126 15.125 1.00 0.00 C ATOM 593 N9 DG C 19 1.592 -4.975 15.135 1.00 0.00 N ATOM 594 C8 DG C 19 0.615 -5.934 14.966 1.00 0.00 C ATOM 595 N7 DG C 19 -0.606 -5.470 15.034 1.00 0.00 N ATOM 596 C5 DG C 19 -0.436 -4.102 15.260 1.00 0.00 C ATOM 597 C6 DG C 19 -1.396 -3.077 15.420 1.00 0.00 C ATOM 598 O6 DG C 19 -2.625 -3.154 15.395 1.00 0.00 O ATOM 599 N1 DG C 19 -0.785 -1.830 15.634 1.00 0.00 N ATOM 600 C2 DG C 19 0.577 -1.614 15.691 1.00 0.00 C ATOM 601 N2 DG C 19 0.965 -0.354 15.909 1.00 0.00 N ATOM 602 N3 DG C 19 1.481 -2.577 15.534 1.00 0.00 N ATOM 603 C4 DG C 19 0.911 -3.793 15.323 1.00 0.00 C ATOM 0 H5' DG C 19 2.949 -6.773 11.948 1.00 0.00 H new ATOM 0 H5'' DG C 19 4.203 -7.976 12.181 1.00 0.00 H new ATOM 0 H4' DG C 19 5.224 -6.140 12.925 1.00 0.00 H new ATOM 0 H3' DG C 19 5.039 -7.822 14.926 1.00 0.00 H new ATOM 0 H2' DG C 19 2.802 -7.193 15.761 1.00 0.00 H new ATOM 0 H2'' DG C 19 3.841 -6.260 16.820 1.00 0.00 H new ATOM 0 H1' DG C 19 3.486 -4.298 15.700 1.00 0.00 H new ATOM 0 H8 DG C 19 0.839 -6.976 14.793 1.00 0.00 H new ATOM 0 H1 DG C 19 -1.395 -1.022 15.757 1.00 0.00 H new ATOM 0 H21 DG C 19 1.958 -0.128 15.962 1.00 0.00 H new ATOM 0 H22 DG C 19 0.268 0.382 16.022 1.00 0.00 H new ATOM 615 P DG C 20 6.603 -6.262 16.831 1.00 0.00 P ATOM 616 OP1 DG C 20 8.070 -6.259 16.642 1.00 0.00 O ATOM 617 OP2 DG C 20 5.969 -7.405 17.528 1.00 0.00 O ATOM 618 O5' DG C 20 6.177 -4.890 17.568 1.00 0.00 O ATOM 619 C5' DG C 20 6.637 -3.645 17.068 1.00 0.00 C ATOM 620 C4' DG C 20 5.794 -2.473 17.573 1.00 0.00 C ATOM 621 O4' DG C 20 4.408 -2.744 17.490 1.00 0.00 O ATOM 622 C3' DG C 20 6.084 -1.998 19.009 1.00 0.00 C ATOM 623 O3' DG C 20 6.764 -0.756 18.882 1.00 0.00 O ATOM 624 C2' DG C 20 4.677 -1.918 19.616 1.00 0.00 C ATOM 625 C1' DG C 20 3.794 -1.842 18.380 1.00 0.00 C ATOM 626 N9 DG C 20 2.391 -2.203 18.664 1.00 0.00 N ATOM 627 C8 DG C 20 1.797 -3.437 18.642 1.00 0.00 C ATOM 628 N7 DG C 20 0.500 -3.399 18.761 1.00 0.00 N ATOM 629 C5 DG C 20 0.209 -2.049 18.890 1.00 0.00 C ATOM 630 C6 DG C 20 -1.050 -1.381 18.957 1.00 0.00 C ATOM 631 O6 DG C 20 -2.169 -1.879 18.864 1.00 0.00 O ATOM 632 N1 DG C 20 -0.912 -0.003 19.123 1.00 0.00 N ATOM 633 C2 DG C 20 0.302 0.661 19.119 1.00 0.00 C ATOM 634 N2 DG C 20 0.283 1.992 19.219 1.00 0.00 N ATOM 635 N3 DG C 20 1.480 0.037 18.979 1.00 0.00 N ATOM 636 C4 DG C 20 1.368 -1.312 18.880 1.00 0.00 C ATOM 0 H5' DG C 20 6.616 -3.663 15.978 1.00 0.00 H new ATOM 0 H5'' DG C 20 7.676 -3.498 17.364 1.00 0.00 H new ATOM 0 H4' DG C 20 6.091 -1.669 16.900 1.00 0.00 H new ATOM 0 H3' DG C 20 6.717 -2.621 19.641 1.00 0.00 H new ATOM 0 H2' DG C 20 4.447 -2.791 20.227 1.00 0.00 H new ATOM 0 H2'' DG C 20 4.559 -1.043 20.255 1.00 0.00 H new ATOM 0 H1' DG C 20 3.722 -0.832 17.977 1.00 0.00 H new ATOM 0 H8 DG C 20 2.353 -4.357 18.536 1.00 0.00 H new ATOM 0 H1 DG C 20 -1.759 0.550 19.256 1.00 0.00 H new ATOM 0 H21 DG C 20 1.158 2.516 19.220 1.00 0.00 H new ATOM 0 H22 DG C 20 -0.607 2.485 19.295 1.00 0.00 H new ATOM 648 P DT C 21 6.936 0.326 20.068 1.00 0.00 P ATOM 649 OP1 DT C 21 8.190 1.075 19.830 1.00 0.00 O ATOM 650 OP2 DT C 21 6.737 -0.344 21.373 1.00 0.00 O ATOM 651 O5' DT C 21 5.698 1.326 19.802 1.00 0.00 O ATOM 652 C5' DT C 21 5.443 1.840 18.505 1.00 0.00 C ATOM 653 C4' DT C 21 4.396 2.958 18.529 1.00 0.00 C ATOM 654 O4' DT C 21 3.251 2.560 19.263 1.00 0.00 O ATOM 655 C3' DT C 21 4.942 4.230 19.182 1.00 0.00 C ATOM 656 O3' DT C 21 4.386 5.360 18.544 1.00 0.00 O ATOM 657 C2' DT C 21 4.416 4.114 20.603 1.00 0.00 C ATOM 658 C1' DT C 21 3.068 3.443 20.358 1.00 0.00 C ATOM 659 N1 DT C 21 2.582 2.742 21.577 1.00 0.00 N ATOM 660 C2 DT C 21 2.005 3.518 22.580 1.00 0.00 C ATOM 661 O2 DT C 21 1.869 4.736 22.487 1.00 0.00 O ATOM 662 N3 DT C 21 1.573 2.840 23.711 1.00 0.00 N ATOM 663 C4 DT C 21 1.626 1.466 23.909 1.00 0.00 C ATOM 664 O4 DT C 21 1.152 0.978 24.932 1.00 0.00 O ATOM 665 C5 DT C 21 2.259 0.731 22.827 1.00 0.00 C ATOM 666 C7 DT C 21 2.410 -0.776 22.907 1.00 0.00 C ATOM 667 C6 DT C 21 2.714 1.380 21.727 1.00 0.00 C ATOM 0 H5' DT C 21 5.099 1.034 17.856 1.00 0.00 H new ATOM 0 H5'' DT C 21 6.370 2.220 18.076 1.00 0.00 H new ATOM 0 H4' DT C 21 4.136 3.159 17.490 1.00 0.00 H new ATOM 0 H3' DT C 21 6.025 4.336 19.126 1.00 0.00 H new ATOM 0 H2' DT C 21 5.068 3.512 21.236 1.00 0.00 H new ATOM 0 H2'' DT C 21 4.312 5.086 21.085 1.00 0.00 H new ATOM 0 HO3' DT C 21 4.489 5.271 17.573 1.00 0.00 H new ATOM 0 H1' DT C 21 2.297 4.178 20.124 1.00 0.00 H new ATOM 0 H3 DT C 21 1.181 3.402 24.466 1.00 0.00 H new ATOM 0 H71 DT C 21 2.387 -1.198 21.902 1.00 0.00 H new ATOM 0 H72 DT C 21 3.360 -1.022 23.382 1.00 0.00 H new ATOM 0 H73 DT C 21 1.592 -1.193 23.494 1.00 0.00 H new ATOM 0 H6 DT C 21 3.195 0.811 20.945 1.00 0.00 H new TER 681 DT C 21 ATOM 682 O5' DT D 22 7.130 2.852 0.123 1.00 0.00 O ATOM 683 C5' DT D 22 7.185 3.982 -0.784 1.00 0.00 C ATOM 684 C4' DT D 22 6.573 5.196 -0.125 1.00 0.00 C ATOM 685 O4' DT D 22 5.117 5.110 -0.244 1.00 0.00 O ATOM 686 C3' DT D 22 6.819 5.351 1.375 1.00 0.00 C ATOM 687 O3' DT D 22 6.702 6.706 1.803 1.00 0.00 O ATOM 688 C2' DT D 22 5.694 4.534 1.988 1.00 0.00 C ATOM 689 C1' DT D 22 4.553 4.778 1.009 1.00 0.00 C ATOM 690 N1 DT D 22 3.669 3.598 0.812 1.00 0.00 N ATOM 691 C2 DT D 22 2.318 3.838 0.667 1.00 0.00 C ATOM 692 O2 DT D 22 1.842 4.959 0.696 1.00 0.00 O ATOM 693 N3 DT D 22 1.537 2.714 0.485 1.00 0.00 N ATOM 694 C4 DT D 22 1.971 1.410 0.439 1.00 0.00 C ATOM 695 O4 DT D 22 1.172 0.482 0.270 1.00 0.00 O ATOM 696 C5 DT D 22 3.396 1.256 0.603 1.00 0.00 C ATOM 697 C7 DT D 22 3.916 -0.150 0.552 1.00 0.00 C ATOM 698 C6 DT D 22 4.192 2.329 0.777 1.00 0.00 C ATOM 0 H5' DT D 22 6.650 3.748 -1.704 1.00 0.00 H new ATOM 0 H5'' DT D 22 8.219 4.189 -1.060 1.00 0.00 H new ATOM 0 H4' DT D 22 7.046 6.034 -0.637 1.00 0.00 H new ATOM 0 H3' DT D 22 7.822 5.033 1.659 1.00 0.00 H new ATOM 0 H2' DT D 22 5.950 3.477 2.060 1.00 0.00 H new ATOM 0 H2'' DT D 22 5.447 4.871 2.995 1.00 0.00 H new ATOM 0 HO5' DT D 22 7.526 2.066 -0.309 1.00 0.00 H new ATOM 0 H1' DT D 22 3.938 5.576 1.426 1.00 0.00 H new ATOM 0 H3 DT D 22 0.535 2.867 0.373 1.00 0.00 H new ATOM 0 H71 DT D 22 3.152 -0.834 0.920 1.00 0.00 H new ATOM 0 H72 DT D 22 4.168 -0.408 -0.477 1.00 0.00 H new ATOM 0 H73 DT D 22 4.807 -0.231 1.175 1.00 0.00 H new ATOM 0 H6 DT D 22 5.257 2.189 0.891 1.00 0.00 H new ATOM 712 P DT D 23 6.326 7.017 3.321 1.00 0.00 P ATOM 713 OP1 DT D 23 6.960 8.282 3.743 1.00 0.00 O ATOM 714 OP2 DT D 23 6.632 5.829 4.154 1.00 0.00 O ATOM 715 O5' DT D 23 4.746 7.204 3.225 1.00 0.00 O ATOM 716 C5' DT D 23 4.204 8.039 2.171 1.00 0.00 C ATOM 717 C4' DT D 23 2.967 8.751 2.667 1.00 0.00 C ATOM 718 O4' DT D 23 1.833 7.830 2.587 1.00 0.00 O ATOM 719 C3' DT D 23 2.984 9.202 4.126 1.00 0.00 C ATOM 720 O3' DT D 23 2.086 10.284 4.365 1.00 0.00 O ATOM 721 C2' DT D 23 2.490 7.970 4.867 1.00 0.00 C ATOM 722 C1' DT D 23 1.479 7.392 3.884 1.00 0.00 C ATOM 723 N1 DT D 23 1.443 5.905 3.867 1.00 0.00 N ATOM 724 C2 DT D 23 0.209 5.306 3.716 1.00 0.00 C ATOM 725 O2 DT D 23 -0.822 5.942 3.599 1.00 0.00 O ATOM 726 N3 DT D 23 0.223 3.925 3.704 1.00 0.00 N ATOM 727 C4 DT D 23 1.326 3.113 3.830 1.00 0.00 C ATOM 728 O4 DT D 23 1.213 1.882 3.806 1.00 0.00 O ATOM 729 C5 DT D 23 2.570 3.827 3.988 1.00 0.00 C ATOM 730 C7 DT D 23 3.802 2.982 4.122 1.00 0.00 C ATOM 731 C6 DT D 23 2.598 5.174 3.998 1.00 0.00 C ATOM 0 H5' DT D 23 3.960 7.429 1.301 1.00 0.00 H new ATOM 0 H5'' DT D 23 4.950 8.767 1.851 1.00 0.00 H new ATOM 0 H4' DT D 23 2.907 9.638 2.037 1.00 0.00 H new ATOM 0 H3' DT D 23 3.968 9.556 4.432 1.00 0.00 H new ATOM 0 H2' DT D 23 3.298 7.270 5.079 1.00 0.00 H new ATOM 0 H2'' DT D 23 2.030 8.225 5.822 1.00 0.00 H new ATOM 0 H1' DT D 23 0.494 7.736 4.198 1.00 0.00 H new ATOM 0 H3 DT D 23 -0.677 3.459 3.590 1.00 0.00 H new ATOM 0 H71 DT D 23 3.544 2.035 4.595 1.00 0.00 H new ATOM 0 H72 DT D 23 4.222 2.792 3.134 1.00 0.00 H new ATOM 0 H73 DT D 23 4.537 3.505 4.734 1.00 0.00 H new ATOM 0 H6 DT D 23 3.542 5.686 4.111 1.00 0.00 H new ATOM 744 P DA D 24 1.696 10.896 5.833 1.00 0.00 P ATOM 745 OP1 DA D 24 1.536 12.358 5.672 1.00 0.00 O ATOM 746 OP2 DA D 24 2.680 10.401 6.823 1.00 0.00 O ATOM 747 O5' DA D 24 0.227 10.281 6.203 1.00 0.00 O ATOM 748 C5' DA D 24 -0.230 10.163 7.551 1.00 0.00 C ATOM 749 C4' DA D 24 -1.756 9.912 7.653 1.00 0.00 C ATOM 750 O4' DA D 24 -2.099 8.792 6.849 1.00 0.00 O ATOM 751 C3' DA D 24 -2.199 9.575 9.096 1.00 0.00 C ATOM 752 O3' DA D 24 -3.559 9.928 9.365 1.00 0.00 O ATOM 753 C2' DA D 24 -2.068 8.056 9.077 1.00 0.00 C ATOM 754 C1' DA D 24 -2.607 7.766 7.681 1.00 0.00 C ATOM 755 N9 DA D 24 -2.167 6.442 7.204 1.00 0.00 N ATOM 756 C8 DA D 24 -0.904 6.050 6.848 1.00 0.00 C ATOM 757 N7 DA D 24 -0.811 4.799 6.498 1.00 0.00 N ATOM 758 C5 DA D 24 -2.118 4.337 6.583 1.00 0.00 C ATOM 759 C6 DA D 24 -2.722 3.103 6.275 1.00 0.00 C ATOM 760 N6 DA D 24 -2.040 2.072 5.769 1.00 0.00 N ATOM 761 N1 DA D 24 -4.051 2.974 6.456 1.00 0.00 N ATOM 762 C2 DA D 24 -4.743 4.012 6.921 1.00 0.00 C ATOM 763 N3 DA D 24 -4.298 5.228 7.230 1.00 0.00 N ATOM 764 C4 DA D 24 -2.955 5.330 7.027 1.00 0.00 C ATOM 0 H5' DA D 24 0.020 11.074 8.095 1.00 0.00 H new ATOM 0 H5'' DA D 24 0.301 9.345 8.039 1.00 0.00 H new ATOM 0 H4' DA D 24 -2.251 10.827 7.327 1.00 0.00 H new ATOM 0 H3' DA D 24 -1.621 10.106 9.853 1.00 0.00 H new ATOM 0 H2' DA D 24 -1.038 7.724 9.204 1.00 0.00 H new ATOM 0 H2'' DA D 24 -2.656 7.576 9.860 1.00 0.00 H new ATOM 0 H1' DA D 24 -3.697 7.747 7.676 1.00 0.00 H new ATOM 0 H8 DA D 24 -0.058 6.721 6.857 1.00 0.00 H new ATOM 0 H61 DA D 24 -2.520 1.196 5.561 1.00 0.00 H new ATOM 0 H62 DA D 24 -1.040 2.161 5.591 1.00 0.00 H new ATOM 0 H2 DA D 24 -5.800 3.846 7.066 1.00 0.00 H new ATOM 776 P DG D 25 -4.125 10.049 10.893 1.00 0.00 P ATOM 777 OP1 DG D 25 -4.072 11.478 11.271 1.00 0.00 O ATOM 778 OP2 DG D 25 -3.388 9.074 11.729 1.00 0.00 O ATOM 779 O5' DG D 25 -5.690 9.593 10.900 1.00 0.00 O ATOM 780 C5' DG D 25 -6.446 9.626 12.112 1.00 0.00 C ATOM 781 C4' DG D 25 -7.781 8.846 12.046 1.00 0.00 C ATOM 782 O4' DG D 25 -7.499 7.577 11.471 1.00 0.00 O ATOM 783 C3' DG D 25 -8.344 8.593 13.468 1.00 0.00 C ATOM 784 O3' DG D 25 -9.776 8.462 13.570 1.00 0.00 O ATOM 785 C2' DG D 25 -7.622 7.286 13.800 1.00 0.00 C ATOM 786 C1' DG D 25 -7.659 6.578 12.456 1.00 0.00 C ATOM 787 N9 DG D 25 -6.599 5.549 12.401 1.00 0.00 N ATOM 788 C8 DG D 25 -5.236 5.713 12.436 1.00 0.00 C ATOM 789 N7 DG D 25 -4.566 4.596 12.500 1.00 0.00 N ATOM 790 C5 DG D 25 -5.554 3.618 12.487 1.00 0.00 C ATOM 791 C6 DG D 25 -5.438 2.199 12.534 1.00 0.00 C ATOM 792 O6 DG D 25 -4.414 1.529 12.622 1.00 0.00 O ATOM 793 N1 DG D 25 -6.675 1.562 12.483 1.00 0.00 N ATOM 794 C2 DG D 25 -7.891 2.215 12.426 1.00 0.00 C ATOM 795 N2 DG D 25 -8.989 1.453 12.408 1.00 0.00 N ATOM 796 N3 DG D 25 -8.004 3.551 12.406 1.00 0.00 N ATOM 797 C4 DG D 25 -6.802 4.191 12.427 1.00 0.00 C ATOM 0 H5' DG D 25 -6.657 10.664 12.368 1.00 0.00 H new ATOM 0 H5'' DG D 25 -5.838 9.216 12.918 1.00 0.00 H new ATOM 0 H4' DG D 25 -8.506 9.420 11.469 1.00 0.00 H new ATOM 0 H3' DG D 25 -8.174 9.432 14.143 1.00 0.00 H new ATOM 0 H2' DG D 25 -6.603 7.456 14.148 1.00 0.00 H new ATOM 0 H2'' DG D 25 -8.134 6.719 14.578 1.00 0.00 H new ATOM 0 H1' DG D 25 -8.600 6.053 12.291 1.00 0.00 H new ATOM 0 H8 DG D 25 -4.760 6.682 12.413 1.00 0.00 H new ATOM 0 H1 DG D 25 -6.684 0.542 12.488 1.00 0.00 H new ATOM 0 H21 DG D 25 -9.911 1.888 12.366 1.00 0.00 H new ATOM 0 H22 DG D 25 -8.905 0.437 12.436 1.00 0.00 H new ATOM 809 P DG D 26 -10.474 8.060 15.001 1.00 0.00 P ATOM 810 OP1 DG D 26 -11.705 8.830 15.263 1.00 0.00 O ATOM 811 OP2 DG D 26 -9.386 8.217 15.997 1.00 0.00 O ATOM 812 O5' DG D 26 -10.822 6.512 14.838 1.00 0.00 O ATOM 813 C5' DG D 26 -11.558 6.083 13.665 1.00 0.00 C ATOM 814 C4' DG D 26 -12.467 4.930 14.025 1.00 0.00 C ATOM 815 O4' DG D 26 -11.677 3.699 14.041 1.00 0.00 O ATOM 816 C3' DG D 26 -13.111 4.982 15.409 1.00 0.00 C ATOM 817 O3' DG D 26 -14.310 4.212 15.474 1.00 0.00 O ATOM 818 C2' DG D 26 -12.057 4.341 16.297 1.00 0.00 C ATOM 819 C1' DG D 26 -11.466 3.282 15.376 1.00 0.00 C ATOM 820 N9 DG D 26 -10.004 3.075 15.561 1.00 0.00 N ATOM 821 C8 DG D 26 -9.018 4.001 15.829 1.00 0.00 C ATOM 822 N7 DG D 26 -7.819 3.488 15.938 1.00 0.00 N ATOM 823 C5 DG D 26 -8.015 2.122 15.724 1.00 0.00 C ATOM 824 C6 DG D 26 -7.086 1.057 15.715 1.00 0.00 C ATOM 825 O6 DG D 26 -5.869 1.088 15.896 1.00 0.00 O ATOM 826 N1 DG D 26 -7.717 -0.173 15.458 1.00 0.00 N ATOM 827 C2 DG D 26 -9.070 -0.340 15.247 1.00 0.00 C ATOM 828 N2 DG D 26 -9.481 -1.592 15.023 1.00 0.00 N ATOM 829 N3 DG D 26 -9.944 0.663 15.248 1.00 0.00 N ATOM 830 C4 DG D 26 -9.354 1.863 15.491 1.00 0.00 C ATOM 0 H5' DG D 26 -10.865 5.780 12.880 1.00 0.00 H new ATOM 0 H5'' DG D 26 -12.145 6.912 13.270 1.00 0.00 H new ATOM 0 H4' DG D 26 -13.259 4.979 13.278 1.00 0.00 H new ATOM 0 H3' DG D 26 -13.391 5.997 15.691 1.00 0.00 H new ATOM 0 H2' DG D 26 -11.307 5.061 16.624 1.00 0.00 H new ATOM 0 H2'' DG D 26 -12.492 3.903 17.195 1.00 0.00 H new ATOM 0 H1' DG D 26 -11.959 2.339 15.614 1.00 0.00 H new ATOM 0 H8 DG D 26 -9.218 5.057 15.939 1.00 0.00 H new ATOM 0 H1 DG D 26 -7.129 -1.006 15.425 1.00 0.00 H new ATOM 0 H21 DG D 26 -10.470 -1.783 14.860 1.00 0.00 H new ATOM 0 H22 DG D 26 -8.806 -2.357 15.015 1.00 0.00 H new ATOM 842 P DG D 27 -15.187 3.999 16.814 1.00 0.00 P ATOM 843 OP1 DG D 27 -16.613 3.895 16.433 1.00 0.00 O ATOM 844 OP2 DG D 27 -14.779 5.003 17.825 1.00 0.00 O ATOM 845 O5' DG D 27 -14.684 2.541 17.290 1.00 0.00 O ATOM 846 C5' DG D 27 -14.986 1.388 16.522 1.00 0.00 C ATOM 847 C4' DG D 27 -14.314 0.133 17.087 1.00 0.00 C ATOM 848 O4' DG D 27 -12.902 0.213 16.981 1.00 0.00 O ATOM 849 C3' DG D 27 -14.655 -0.127 18.564 1.00 0.00 C ATOM 850 O3' DG D 27 -15.286 -1.395 18.673 1.00 0.00 O ATOM 851 C2' DG D 27 -13.272 -0.093 19.216 1.00 0.00 C ATOM 852 C1' DG D 27 -12.372 -0.521 18.063 1.00 0.00 C ATOM 853 N9 DG D 27 -10.950 -0.184 18.307 1.00 0.00 N ATOM 854 C8 DG D 27 -10.397 1.056 18.505 1.00 0.00 C ATOM 855 N7 DG D 27 -9.107 1.045 18.681 1.00 0.00 N ATOM 856 C5 DG D 27 -8.770 -0.299 18.590 1.00 0.00 C ATOM 857 C6 DG D 27 -7.491 -0.924 18.667 1.00 0.00 C ATOM 858 O6 DG D 27 -6.405 -0.398 18.891 1.00 0.00 O ATOM 859 N1 DG D 27 -7.547 -2.290 18.424 1.00 0.00 N ATOM 860 C2 DG D 27 -8.707 -2.986 18.150 1.00 0.00 C ATOM 861 N2 DG D 27 -8.570 -4.286 17.875 1.00 0.00 N ATOM 862 N3 DG D 27 -9.921 -2.407 18.113 1.00 0.00 N ATOM 863 C4 DG D 27 -9.887 -1.062 18.336 1.00 0.00 C ATOM 0 H5' DG D 27 -14.661 1.542 15.493 1.00 0.00 H new ATOM 0 H5'' DG D 27 -16.066 1.241 16.497 1.00 0.00 H new ATOM 0 H4' DG D 27 -14.704 -0.689 16.486 1.00 0.00 H new ATOM 0 H3' DG D 27 -15.343 0.581 19.026 1.00 0.00 H new ATOM 0 H2' DG D 27 -13.019 0.901 19.585 1.00 0.00 H new ATOM 0 H2'' DG D 27 -13.203 -0.775 20.063 1.00 0.00 H new ATOM 0 H1' DG D 27 -12.365 -1.599 17.901 1.00 0.00 H new ATOM 0 H8 DG D 27 -10.982 1.964 18.514 1.00 0.00 H new ATOM 0 H1 DG D 27 -6.672 -2.814 18.450 1.00 0.00 H new ATOM 0 H21 DG D 27 -9.392 -4.852 17.665 1.00 0.00 H new ATOM 0 H22 DG D 27 -7.643 -4.712 17.875 1.00 0.00 H new ATOM 875 P DT D 28 -15.906 -1.949 20.061 1.00 0.00 P ATOM 876 OP1 DT D 28 -16.821 -3.068 19.743 1.00 0.00 O ATOM 877 OP2 DT D 28 -16.420 -0.804 20.845 1.00 0.00 O ATOM 878 O5' DT D 28 -14.629 -2.556 20.831 1.00 0.00 O ATOM 879 C5' DT D 28 -13.994 -3.734 20.375 1.00 0.00 C ATOM 880 C4' DT D 28 -12.677 -3.956 21.120 1.00 0.00 C ATOM 881 O4' DT D 28 -11.750 -2.923 20.836 1.00 0.00 O ATOM 882 C3' DT D 28 -12.815 -4.022 22.649 1.00 0.00 C ATOM 883 O3' DT D 28 -12.457 -5.307 23.116 1.00 0.00 O ATOM 884 C2' DT D 28 -11.796 -2.995 23.140 1.00 0.00 C ATOM 885 C1' DT D 28 -10.866 -2.883 21.934 1.00 0.00 C ATOM 886 N1 DT D 28 -10.042 -1.642 21.948 1.00 0.00 N ATOM 887 C2 DT D 28 -8.666 -1.763 22.141 1.00 0.00 C ATOM 888 O2 DT D 28 -8.114 -2.834 22.374 1.00 0.00 O ATOM 889 N3 DT D 28 -7.927 -0.591 22.071 1.00 0.00 N ATOM 890 C4 DT D 28 -8.439 0.684 21.874 1.00 0.00 C ATOM 891 O4 DT D 28 -7.684 1.650 21.787 1.00 0.00 O ATOM 892 C5 DT D 28 -9.888 0.738 21.788 1.00 0.00 C ATOM 893 C7 DT D 28 -10.574 2.085 21.670 1.00 0.00 C ATOM 894 C6 DT D 28 -10.625 -0.403 21.819 1.00 0.00 C ATOM 0 H5' DT D 28 -13.805 -3.661 19.304 1.00 0.00 H new ATOM 0 H5'' DT D 28 -14.652 -4.590 20.525 1.00 0.00 H new ATOM 0 H4' DT D 28 -12.331 -4.925 20.762 1.00 0.00 H new ATOM 0 H3' DT D 28 -13.830 -3.827 22.994 1.00 0.00 H new ATOM 0 H2' DT D 28 -12.262 -2.041 23.388 1.00 0.00 H new ATOM 0 H2'' DT D 28 -11.270 -3.334 24.033 1.00 0.00 H new ATOM 0 HO3' DT D 28 -12.547 -5.337 24.091 1.00 0.00 H new ATOM 0 H1' DT D 28 -10.122 -3.680 21.912 1.00 0.00 H new ATOM 0 H3 DT D 28 -6.916 -0.674 22.174 1.00 0.00 H new ATOM 0 H71 DT D 28 -11.501 1.973 21.108 1.00 0.00 H new ATOM 0 H72 DT D 28 -10.797 2.468 22.666 1.00 0.00 H new ATOM 0 H73 DT D 28 -9.917 2.783 21.151 1.00 0.00 H new ATOM 0 H6 DT D 28 -11.700 -0.335 21.740 1.00 0.00 H new TER 908 DT D 28 HETATM 909 C1 MM0 B 29 -9.483 -0.728 9.441 1.00 0.00 C HETATM 910 C2 MM0 B 29 -9.461 -2.030 8.902 1.00 0.00 C HETATM 911 C3 MM0 B 29 -8.281 -0.018 9.554 1.00 0.00 C HETATM 912 C5 MM0 B 29 -4.654 -0.571 9.179 1.00 0.00 C HETATM 913 C6 MM0 B 29 -4.662 -1.937 8.823 1.00 0.00 C HETATM 914 C8 MM0 B 29 -2.224 -1.914 8.740 1.00 0.00 C HETATM 915 C9 MM0 B 29 -1.012 0.156 9.246 1.00 0.00 C HETATM 916 C10 MM0 B 29 0.112 2.312 9.552 1.00 0.00 C HETATM 917 C12 MM0 B 29 -1.221 4.319 9.903 1.00 0.00 C HETATM 918 C13 MM0 B 29 -2.396 3.557 9.822 1.00 0.00 C HETATM 919 C4 MM0 B 29 -8.232 -2.669 8.642 1.00 0.00 C HETATM 920 C7 MM0 B 29 -3.445 -2.600 8.591 1.00 0.00 C HETATM 921 C11 MM0 B 29 0.035 3.704 9.750 1.00 0.00 C HETATM 922 N1 MM0 B 29 -5.834 -2.595 8.674 1.00 0.00 N HETATM 923 C14 MM0 B 29 -5.873 0.082 9.412 1.00 0.00 C HETATM 924 C15 MM0 B 29 -7.061 -0.637 9.268 1.00 0.00 C HETATM 925 N2 MM0 B 29 -10.900 1.267 9.461 1.00 0.00 N HETATM 926 C16 MM0 B 29 -7.023 -1.982 8.858 1.00 0.00 C HETATM 927 C17 MM0 B 29 -11.865 2.183 10.043 1.00 0.00 C HETATM 928 C18 MM0 B 29 -11.458 3.636 9.769 1.00 0.00 C HETATM 929 N3 MM0 B 29 1.570 5.202 8.601 1.00 0.00 N HETATM 930 C19 MM0 B 29 -11.469 3.973 8.273 1.00 0.00 C HETATM 931 C20 MM0 B 29 1.302 4.529 9.853 1.00 0.00 C HETATM 932 C21 MM0 B 29 2.678 6.134 8.468 1.00 0.00 C HETATM 933 C22 MM0 B 29 3.709 5.581 7.479 1.00 0.00 C HETATM 934 C23 MM0 B 29 4.533 4.435 8.070 1.00 0.00 C HETATM 935 C MM0 B 29 -10.773 -0.097 9.948 1.00 0.00 C HETATM 936 C4A MM0 B 29 -2.219 -0.551 9.089 1.00 0.00 C HETATM 937 C9A MM0 B 29 -3.439 0.131 9.272 1.00 0.00 C HETATM 938 C10A MM0 B 29 -1.063 1.546 9.463 1.00 0.00 C HETATM 939 C8A MM0 B 29 -2.317 2.175 9.597 1.00 0.00 C HETATM 940 N MM0 B 29 -3.444 1.455 9.515 1.00 0.00 N HETATM 0 H23B MM0 B 29 5.070 4.789 8.950 1.00 0.00 H new HETATM 0 H23A MM0 B 29 3.869 3.618 8.354 1.00 0.00 H new HETATM 0 H22A MM0 B 29 3.197 5.231 6.583 1.00 0.00 H new HETATM 0 H21A MM0 B 29 2.312 7.101 8.122 1.00 0.00 H new HETATM 0 H20A MM0 B 29 1.202 5.263 10.653 1.00 0.00 H new HETATM 0 H19B MM0 B 29 -10.769 3.323 7.748 1.00 0.00 H new HETATM 0 H19A MM0 B 29 -12.472 3.823 7.874 1.00 0.00 H new HETATM 0 H18A MM0 B 29 -12.138 4.306 10.295 1.00 0.00 H new HETATM 0 H17A MM0 B 29 -12.854 1.991 9.627 1.00 0.00 H new HETATM 0 HN3 MM0 B 29 0.970 5.019 7.796 1.00 0.00 H new HETATM 0 HN2 MM0 B 29 -10.302 1.586 8.699 1.00 0.00 H new HETATM 0 HA MM0 B 29 -11.628 -0.688 9.618 1.00 0.00 H new HETATM 0 H9 MM0 B 29 -0.055 -0.364 9.200 1.00 0.00 H new HETATM 0 H8 MM0 B 29 -1.282 -2.440 8.585 1.00 0.00 H new HETATM 0 H7 MM0 B 29 -3.446 -3.649 8.295 1.00 0.00 H new HETATM 0 H4 MM0 B 29 -8.218 -3.695 8.274 1.00 0.00 H new HETATM 0 H3 MM0 B 29 -8.297 1.026 9.868 1.00 0.00 H new HETATM 0 H23 MM0 B 29 5.248 4.080 7.328 1.00 0.00 H new HETATM 0 H22 MM0 B 29 4.378 6.384 7.170 1.00 0.00 H new HETATM 0 H21 MM0 B 29 3.145 6.299 9.439 1.00 0.00 H new HETATM 0 H20 MM0 B 29 2.142 3.885 10.114 1.00 0.00 H new HETATM 0 H2 MM0 B 29 -10.397 -2.544 8.686 1.00 0.00 H new HETATM 0 H19 MM0 B 29 -11.174 5.013 8.132 1.00 0.00 H new HETATM 0 H18 MM0 B 29 -10.461 3.813 10.171 1.00 0.00 H new HETATM 0 H17 MM0 B 29 -11.933 2.015 11.118 1.00 0.00 H new HETATM 0 H14 MM0 B 29 -5.893 1.133 9.701 1.00 0.00 H new HETATM 0 H13 MM0 B 29 -3.368 4.038 9.934 1.00 0.00 H new HETATM 0 H12 MM0 B 29 -1.281 5.392 10.085 1.00 0.00 H new HETATM 0 H10 MM0 B 29 1.085 1.828 9.468 1.00 0.00 H new HETATM 0 H MM0 B 29 -10.783 -0.102 11.038 1.00 0.00 H new HETATM 971 C1 MM0 B 30 -8.449 -7.088 20.319 1.00 0.00 C HETATM 972 C2 MM0 B 30 -7.695 -8.277 20.328 1.00 0.00 C HETATM 973 C3 MM0 B 30 -7.814 -5.858 20.574 1.00 0.00 C HETATM 974 C5 MM0 B 30 -4.379 -4.589 21.248 1.00 0.00 C HETATM 975 C6 MM0 B 30 -3.692 -5.825 21.279 1.00 0.00 C HETATM 976 C8 MM0 B 30 -1.604 -4.661 21.744 1.00 0.00 C HETATM 977 C9 MM0 B 30 -1.600 -2.239 22.039 1.00 0.00 C HETATM 978 C10 MM0 B 30 -1.659 0.195 22.283 1.00 0.00 C HETATM 979 C12 MM0 B 30 -3.743 1.386 21.886 1.00 0.00 C HETATM 980 C13 MM0 B 30 -4.383 0.176 21.585 1.00 0.00 C HETATM 981 C4 MM0 B 30 -6.324 -8.238 20.624 1.00 0.00 C HETATM 982 C7 MM0 B 30 -2.306 -5.854 21.509 1.00 0.00 C HETATM 983 C11 MM0 B 30 -2.383 1.401 22.238 1.00 0.00 C HETATM 984 N1 MM0 B 30 -4.356 -6.979 21.077 1.00 0.00 N HETATM 985 C14 MM0 B 30 -5.764 -4.590 20.990 1.00 0.00 C HETATM 986 C15 MM0 B 30 -6.427 -5.814 20.808 1.00 0.00 C HETATM 987 N2 MM0 B 30 -10.203 -6.962 18.631 1.00 0.00 N HETATM 988 C16 MM0 B 30 -5.682 -7.010 20.847 1.00 0.00 C HETATM 989 C17 MM0 B 30 -11.382 -6.237 18.184 1.00 0.00 C HETATM 990 C18 MM0 B 30 -11.441 -6.203 16.653 1.00 0.00 C HETATM 991 N3 MM0 B 30 -1.567 2.804 24.032 1.00 0.00 N HETATM 992 C19 MM0 B 30 -12.652 -5.394 16.182 1.00 0.00 C HETATM 993 C20 MM0 B 30 -1.712 2.711 22.589 1.00 0.00 C HETATM 994 C21 MM0 B 30 -2.681 3.196 24.881 1.00 0.00 C HETATM 995 C22 MM0 B 30 -3.412 1.970 25.444 1.00 0.00 C HETATM 996 C23 MM0 B 30 -2.477 1.039 26.224 1.00 0.00 C HETATM 997 C MM0 B 30 -9.940 -7.134 20.050 1.00 0.00 C HETATM 998 C4A MM0 B 30 -2.287 -3.432 21.750 1.00 0.00 C HETATM 999 C9A MM0 B 30 -3.671 -3.387 21.467 1.00 0.00 C HETATM 1000 C10A MM0 B 30 -2.304 -1.023 21.999 1.00 0.00 C HETATM 1001 C8A MM0 B 30 -3.674 -1.033 21.661 1.00 0.00 C HETATM 1002 N MM0 B 30 -4.305 -2.196 21.416 1.00 0.00 N HETATM 0 H23B MM0 B 30 -1.684 0.685 25.565 1.00 0.00 H new HETATM 0 H23A MM0 B 30 -2.038 1.582 27.061 1.00 0.00 H new HETATM 0 H22A MM0 B 30 -4.219 2.300 26.098 1.00 0.00 H new HETATM 0 H21A MM0 B 30 -2.316 3.813 25.702 1.00 0.00 H new HETATM 0 H20A MM0 B 30 -0.735 2.773 22.109 1.00 0.00 H new HETATM 0 H19B MM0 B 30 -13.565 -5.852 16.562 1.00 0.00 H new HETATM 0 H19A MM0 B 30 -12.575 -4.373 16.556 1.00 0.00 H new HETATM 0 H18A MM0 B 30 -10.526 -5.763 16.257 1.00 0.00 H new HETATM 0 H17A MM0 B 30 -12.280 -6.713 18.578 1.00 0.00 H new HETATM 0 HN3 MM0 B 30 -0.665 2.590 24.458 1.00 0.00 H new HETATM 0 HN2 MM0 B 30 -9.557 -7.352 17.945 1.00 0.00 H new HETATM 0 HA MM0 B 30 -10.348 -8.086 20.390 1.00 0.00 H new HETATM 0 H9 MM0 B 30 -0.539 -2.257 22.290 1.00 0.00 H new HETATM 0 H8 MM0 B 30 -0.529 -4.688 21.922 1.00 0.00 H new HETATM 0 H7 MM0 B 30 -1.774 -6.806 21.505 1.00 0.00 H new HETATM 0 H4 MM0 B 30 -5.755 -9.166 20.681 1.00 0.00 H new HETATM 0 H3 MM0 B 30 -8.398 -4.938 20.590 1.00 0.00 H new HETATM 0 H23 MM0 B 30 -3.043 0.187 26.601 1.00 0.00 H new HETATM 0 H22 MM0 B 30 -3.871 1.416 24.625 1.00 0.00 H new HETATM 0 H21 MM0 B 30 -3.379 3.807 24.309 1.00 0.00 H new HETATM 0 H20 MM0 B 30 -2.304 3.547 22.217 1.00 0.00 H new HETATM 0 H2 MM0 B 30 -8.177 -9.229 20.105 1.00 0.00 H new HETATM 0 H19 MM0 B 30 -12.679 -5.380 15.092 1.00 0.00 H new HETATM 0 H18 MM0 B 30 -11.501 -7.219 16.263 1.00 0.00 H new HETATM 0 H17 MM0 B 30 -11.362 -5.220 18.576 1.00 0.00 H new HETATM 0 H14 MM0 B 30 -6.315 -3.651 20.932 1.00 0.00 H new HETATM 0 H13 MM0 B 30 -5.433 0.174 21.291 1.00 0.00 H new HETATM 0 H12 MM0 B 30 -4.303 2.320 21.847 1.00 0.00 H new HETATM 0 H10 MM0 B 30 -0.599 0.204 22.538 1.00 0.00 H new HETATM 0 H MM0 B 30 -10.443 -6.351 20.617 1.00 0.00 H new CONECT 909 910 911 935 CONECT 910 909 919 943 CONECT 911 909 924 952 CONECT 912 913 923 937 CONECT 913 912 920 922 CONECT 914 920 936 955 CONECT 915 936 938 946 CONECT 916 921 938 956 CONECT 917 918 921 957 CONECT 918 917 939 958 CONECT 919 910 926 953 CONECT 920 913 914 954 CONECT 921 916 917 931 CONECT 922 913 926 CONECT 923 912 924 944 CONECT 924 911 923 926 CONECT 925 927 935 959 CONECT 926 919 922 924 CONECT 927 925 928 947 960 CONECT 928 927 930 961 962 CONECT 929 931 932 949 CONECT 930 928 963 964 965 CONECT 931 921 929 945 948 CONECT 932 929 933 950 966 CONECT 933 932 934 951 967 CONECT 934 933 968 969 970 CONECT 935 909 925 941 942 CONECT 936 914 915 937 CONECT 937 912 936 940 CONECT 938 915 916 939 CONECT 939 918 938 940 CONECT 940 937 939 CONECT 941 935 CONECT 942 935 CONECT 943 910 CONECT 944 923 CONECT 945 931 CONECT 946 915 CONECT 947 927 CONECT 948 931 CONECT 949 929 CONECT 950 932 CONECT 951 933 CONECT 952 911 CONECT 953 919 CONECT 954 920 CONECT 955 914 CONECT 956 916 CONECT 957 917 CONECT 958 918 CONECT 959 925 CONECT 960 927 CONECT 961 928 CONECT 962 928 CONECT 963 930 CONECT 964 930 CONECT 965 930 CONECT 966 932 CONECT 967 933 CONECT 968 934 CONECT 969 934 CONECT 970 934 CONECT 971 972 973 997 CONECT 972 971 981 1005 CONECT 973 971 986 1014 CONECT 974 975 985 999 CONECT 975 974 982 984 CONECT 976 982 998 1017 CONECT 977 998 1000 1008 CONECT 978 983 1000 1018 CONECT 979 980 983 1019 CONECT 980 979 1001 1020 CONECT 981 972 988 1015 CONECT 982 975 976 1016 CONECT 983 978 979 993 CONECT 984 975 988 CONECT 985 974 986 1006 CONECT 986 973 985 988 CONECT 987 989 997 1021 CONECT 988 981 984 986 CONECT 989 987 990 1009 1022 CONECT 990 989 992 1023 1024 CONECT 991 993 994 1011 CONECT 992 990 1025 1026 1027 CONECT 993 983 991 1007 1010 CONECT 994 991 995 1012 1028 CONECT 995 994 996 1013 1029 CONECT 996 995 1030 1031 1032 CONECT 997 971 987 1003 1004 CONECT 998 976 977 999 CONECT 999 974 998 1002 CONECT 1000 977 978 1001 CONECT 1001 980 1000 1002 CONECT 1002 999 1001 CONECT 1003 997 CONECT 1004 997 CONECT 1005 972 CONECT 1006 985 CONECT 1007 993 CONECT 1008 977 CONECT 1009 989 CONECT 1010 993 CONECT 1011 991 CONECT 1012 994 CONECT 1013 995 CONECT 1014 973 CONECT 1015 981 CONECT 1016 982 CONECT 1017 976 CONECT 1018 978 CONECT 1019 979 CONECT 1020 980 CONECT 1021 987 CONECT 1022 989 CONECT 1023 990 CONECT 1024 990 CONECT 1025 992 CONECT 1026 992 CONECT 1027 992 CONECT 1028 994 CONECT 1029 995 CONECT 1030 996 CONECT 1031 996 CONECT 1032 996 END