USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 269 hydrogens (51 hets) HEADER DNA 29-AUG-97 1AUL TITLE SOLUTION STRUCTURE OF A HIGHLY STABLE DNA DUPLEX CONJUGATED TITLE 2 TO A MINOR GROOVE BINDER, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(P*THXP*GP*AP*TP*TP*AP*TP*CP*TP*G)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: TRIPEPTIDE CDPI3 IS COVALENTLY LINKED TO COMPND 6 THE T1 DNA RESIDUE WITH A HEXAMETHYLENE LINKER; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'-D(*CP*AP*GP*AP*TP*AP*AP*TP*CP*A)-3'); COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES; COMPND 1 OTHER_DETAILS: TRIPEPTIDE CDPI3 IS COVALENTLY LINKED TO COMPND 2 THE T1 DNA RESIDUE WITH A HEXAMETHYLENE LINKER SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CDPI3 COVALENTLY LINKED TO 5' END OF DNA SOURCE 4 STRAND A WITH A HEXAMETHYLENE LINKER; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: CDPI3 COVALENTLY LINKED TO 5' END OF DNA SOURCE 8 STRAND A WITH A HEXAMETHYLENE LINKER KEYWDS DEOXYRIBONUCLEIC ACID, CDPI3, DNA EXPDTA SOLUTION NMR AUTHOR S.KUMAR,M.W.REED,H.B.GAMPER JUNIOR,V.V.GORN,E.A.LUKHTANOV, AUTHOR 2 M.FOTI,J.WEST,R.B.MEYER JUNIOR,B.I.SCHWEITZER REVDAT 3 24-FEB-09 1AUL 1 VERSN REVDAT 2 01-APR-03 1AUL 1 JRNL REVDAT 1 24-DEC-97 1AUL 0 JRNL AUTH S.KUMAR,M.W.REED,H.B.GAMPER JR.,V.V.GORN, JRNL AUTH 2 E.A.LUKHTANOV,M.FOTI,J.WEST,R.B.MEYER JR., JRNL AUTH 3 B.I.SCHWEITZER JRNL TITL SOLUTION STRUCTURE OF A HIGHLY STABLE DNA DUPLEX JRNL TITL 2 CONJUGATED TO A MINOR GROOVE BINDER. JRNL REF NUCLEIC ACIDS RES. V. 26 831 1998 JRNL REFN ISSN 0305-1048 JRNL PMID 9443977 JRNL DOI 10.1093/NAR/26.3.831 REMARK 1 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: CANONICAL B-TYPE STRUCTURE USED IN REMARK 3 RESTRAINED MOLECULAR DYNAMICS CALCULATIONS GENERATING SIX REMARK 3 STRUCTURES FROM DIFFERENT RANDOM NUMBER SEEDS. THE SIX REMARK 3 STRUCTURES WERE SUBJECTED TO RELAXATION MATRIX REFINEMENT TO REMARK 3 GENERATE THE SIX FINAL STRUCTURES. THESE SIX STRUCTURES WERE REMARK 3 AVERAGED AND MINIMIZED TO GIVE THE FINAL STRUCTURE PRESENTED REMARK 3 HERE. REMARK 4 REMARK 4 1AUL 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) : 293.15 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, DQF-COSY, HETEROTOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITY PLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : RESTRAINED MOLECULAR REMARK 210 DYNAMICS/RELAXATION MATRIX REMARK 210 REFINEMENT REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 6 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION 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 DG A 2 P DG A 2 O5' 0.149 REMARK 500 DA A 3 P DA A 3 O5' 0.133 REMARK 500 DA A 3 N9 DA A 3 C4 -0.042 REMARK 500 DG A 2 O3' DA A 3 P 0.123 REMARK 500 DT A 4 P DT A 4 O5' 0.140 REMARK 500 DA A 3 O3' DT A 4 P 0.124 REMARK 500 DT A 5 P DT A 5 O5' 0.123 REMARK 500 DT A 4 O3' DT A 5 P 0.118 REMARK 500 DA A 6 P DA A 6 O5' 0.134 REMARK 500 DA A 6 C3' DA A 6 C2' 0.134 REMARK 500 DT A 5 O3' DA A 6 P 0.115 REMARK 500 DT A 7 P DT A 7 O5' 0.137 REMARK 500 DA A 6 O3' DT A 7 P 0.122 REMARK 500 DC A 8 P DC A 8 O5' 0.140 REMARK 500 DT A 7 O3' DC A 8 P 0.127 REMARK 500 DT A 9 P DT A 9 O5' 0.133 REMARK 500 DT A 9 C2' DT A 9 C1' 0.070 REMARK 500 DC A 8 O3' DT A 9 P 0.123 REMARK 500 DG A 10 P DG A 10 O5' 0.139 REMARK 500 DT A 9 O3' DG A 10 P 0.125 REMARK 500 DC B 11 C2' DC B 11 C1' 0.065 REMARK 500 DA B 12 P DA B 12 O5' 0.140 REMARK 500 DC B 11 O3' DA B 12 P 0.130 REMARK 500 DG B 13 P DG B 13 O5' 0.134 REMARK 500 DA B 12 O3' DG B 13 P 0.119 REMARK 500 DA B 14 P DA B 14 O5' 0.133 REMARK 500 DG B 13 O3' DA B 14 P 0.121 REMARK 500 DT B 15 P DT B 15 O5' 0.143 REMARK 500 DA B 14 O3' DT B 15 P 0.124 REMARK 500 DA B 16 P DA B 16 O5' 0.137 REMARK 500 DA B 16 C2' DA B 16 C1' 0.062 REMARK 500 DT B 15 O3' DA B 16 P 0.121 REMARK 500 DA B 17 P DA B 17 O5' 0.125 REMARK 500 DA B 16 O3' DA B 17 P 0.116 REMARK 500 DT B 18 P DT B 18 O5' 0.151 REMARK 500 DA B 17 O3' DT B 18 P 0.117 REMARK 500 DC B 19 P DC B 19 O5' 0.145 REMARK 500 DC B 19 C2' DC B 19 C1' 0.082 REMARK 500 DT B 18 O3' DC B 19 P 0.145 REMARK 500 DA B 20 P DA B 20 O5' 0.133 REMARK 500 DA B 20 C3' DA B 20 C2' 0.075 REMARK 500 DC B 19 O3' DA B 20 P 0.129 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 DG A 10 C5 - C6 - O6 ANGL. DEV. = -3.7 DEGREES REMARK 500 DG B 13 C5 - C6 - O6 ANGL. DEV. = -3.7 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 DC B 19 0.07 SIDE_CHAIN REMARK 500 DA B 20 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1AUL A 1 10 PDB 1AUL 1AUL 1 10 DBREF 1AUL B 11 20 PDB 1AUL 1AUL 11 20 SEQRES 1 A 10 THX DG DA DT DT DA DT DC DT DG SEQRES 1 B 10 DC DA DG DA DT DA DA DT DC DA HET THX A 1 124 HETNAM THX PHOSPHONIC ACID 6-({6-[6-(6-CARBAMOYL-3,6,7,8- HETNAM 2 THX TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONYL)-3,6,7,8- HETNAM 3 THX TETRAHYDRO-3,6-DIAZA-AS-INDOCENE-2-CARBONYL]-3,6,7,8- HETNAM 4 THX TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONL}-AMINO)- HETNAM 5 THX HEXYL ESTER 5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H- HETNAM 6 THX PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER HETSYN THX CDPI3 FORMUL 1 THX C50 H53 N10 O12 P LINK O3' THX A 1 P DG A 2 1555 1555 1.73 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 4 DT C7 :methyl 150:sc= -0.023 (180deg=-0.023) USER MOD Single : A 5 DT C7 :methyl 150:sc= -0.0155 (180deg=-0.0155) USER MOD Single : A 7 DT C7 :methyl -30:sc= -1.63 (180deg=-1.87!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.0245 (180deg=-0.245) USER MOD Single : A 10 DG O3' : rot 180:sc= 0 USER MOD Single : B 11 DC O5' : rot 180:sc= 0 USER MOD Single : B 15 DT C7 :methyl 150:sc= -0.0792 (180deg=-0.0792) USER MOD Single : B 18 DT C7 :methyl 150:sc= -2.3 (180deg=-2.3) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C1' THX A 1 -9.090 -10.136 1.539 1.00 0.35 C HETATM 2 C10 THX A 1 -11.919 -12.352 6.891 1.00 0.42 C HETATM 3 C11 THX A 1 -10.378 -12.285 6.743 1.00 0.35 C HETATM 4 C12 THX A 1 -9.898 -10.804 6.802 1.00 0.32 C HETATM 5 C13 THX A 1 -7.663 -11.503 6.468 1.00 0.25 C HETATM 6 C14 THX A 1 -6.344 -11.395 5.768 1.00 0.21 C HETATM 7 C15 THX A 1 -5.883 -10.398 4.650 1.00 0.21 C HETATM 8 C16 THX A 1 -4.568 -10.886 4.522 1.00 0.20 C HETATM 9 C17 THX A 1 -4.235 -11.891 5.270 1.00 0.21 C HETATM 10 C18 THX A 1 -2.903 -12.542 5.293 1.00 0.23 C HETATM 11 C19 THX A 1 -1.976 -12.001 4.370 1.00 0.25 C HETATM 12 C2 THX A 1 -7.668 -11.403 -0.132 1.00 0.32 C HETATM 13 C2' THX A 1 -10.563 -9.585 1.705 1.00 0.45 C HETATM 14 C20 THX A 1 -2.481 -10.820 3.557 1.00 0.23 C HETATM 15 C21 THX A 1 -3.750 -10.386 3.634 1.00 0.20 C HETATM 16 C22 THX A 1 -4.280 -9.633 2.569 1.00 0.19 C HETATM 17 C23 THX A 1 -2.974 -9.353 1.726 1.00 0.23 C HETATM 18 C24 THX A 1 -0.650 -10.218 2.119 1.00 0.28 C HETATM 19 C25 THX A 1 -0.014 -9.377 1.070 1.00 0.29 C HETATM 20 C26 THX A 1 -0.611 -8.199 0.229 1.00 0.28 C HETATM 21 C27 THX A 1 0.606 -7.932 -0.547 1.00 0.30 C HETATM 22 C28 THX A 1 1.627 -8.717 -0.279 1.00 0.33 C HETATM 23 C29 THX A 1 2.971 -8.672 -0.918 1.00 0.38 C HETATM 24 C3' THX A 1 -10.982 -10.263 2.984 1.00 0.46 C HETATM 25 C30 THX A 1 3.117 -7.661 -1.929 1.00 0.39 C HETATM 26 C31 THX A 1 1.883 -6.802 -2.174 1.00 0.36 C HETATM 27 C32 THX A 1 0.706 -6.979 -1.513 1.00 0.33 C HETATM 28 C33 THX A 1 -0.415 -6.167 -1.905 1.00 0.34 C HETATM 29 C34 THX A 1 0.352 -5.002 -2.598 1.00 0.26 C HETATM 30 C35 THX A 1 2.576 -5.231 -3.906 1.00 0.38 C HETATM 31 C36 THX A 1 2.343 -4.094 -4.873 1.00 0.39 C HETATM 32 C37 THX A 1 1.083 -3.223 -5.108 1.00 0.37 C HETATM 33 C38 THX A 1 1.638 -2.391 -6.150 1.00 0.38 C HETATM 34 C39 THX A 1 2.872 -2.613 -6.471 1.00 0.41 C HETATM 35 C4 THX A 1 -7.654 -10.925 -2.525 1.00 0.33 C HETATM 36 C4' THX A 1 -10.049 -11.421 3.233 1.00 0.43 C HETATM 37 C40 THX A 1 3.650 -1.877 -7.512 1.00 0.44 C HETATM 38 C41 THX A 1 2.917 -0.813 -8.161 1.00 0.41 C HETATM 39 C42 THX A 1 1.480 -0.654 -7.702 1.00 0.37 C HETATM 40 C43 THX A 1 0.949 -1.398 -6.695 1.00 0.37 C HETATM 41 C44 THX A 1 -0.208 -0.922 -6.040 1.00 0.35 C HETATM 42 C45 THX A 1 -0.687 0.145 -7.033 1.00 0.32 C HETATM 43 C46 THX A 1 0.515 1.212 -8.959 1.00 0.34 C HETATM 44 C5 THX A 1 -8.565 -9.847 -2.277 1.00 0.34 C HETATM 45 C5' THX A 1 -10.831 -12.734 3.272 1.00 0.53 C HETATM 46 C5M THX A 1 -9.013 -9.082 -3.485 1.00 0.37 C HETATM 47 C6 THX A 1 -9.008 -9.564 -1.047 1.00 0.35 C HETATM 48 C7 THX A 1 -14.078 -13.645 5.318 1.00 1.75 C HETATM 49 C8 THX A 1 -12.915 -14.486 5.903 1.00 1.62 C HETATM 50 C9 THX A 1 -12.361 -13.815 7.190 1.00 1.09 C HETATM 51 N1 THX A 1 -8.580 -10.341 0.087 1.00 0.33 N HETATM 52 N10 THX A 1 0.459 0.190 -7.974 1.00 0.34 N HETATM 53 N15 THX A 1 -0.629 1.965 -9.148 1.00 0.32 N HETATM 54 N3 THX A 1 -7.270 -11.625 -1.415 1.00 0.32 N HETATM 55 N4 THX A 1 -8.642 -10.608 6.050 1.00 0.27 N HETATM 56 N5 THX A 1 -5.256 -12.303 6.121 1.00 0.20 N HETATM 57 N6 THX A 1 -1.981 -10.056 2.564 1.00 0.24 N HETATM 58 N7 THX A 1 1.367 -9.650 0.703 1.00 0.33 N HETATM 59 N8 THX A 1 1.600 -5.743 -2.966 1.00 0.33 N HETATM 60 N9 THX A 1 3.438 -3.670 -5.757 1.00 0.43 N HETATM 61 O1P THX A 1 -14.473 -12.788 1.805 1.00 0.94 O HETATM 62 O2 THX A 1 -7.225 -12.081 0.786 1.00 0.32 O HETATM 63 O2P THX A 1 -13.355 -14.853 2.703 1.00 1.32 O HETATM 64 O3' THX A 1 -10.881 -9.334 4.080 1.00 0.43 O HETATM 65 O3P THX A 1 -13.566 -12.748 4.281 1.00 1.71 O HETATM 66 O4 THX A 1 -7.232 -11.228 -3.624 1.00 0.34 O HETATM 67 O4' THX A 1 -9.127 -11.450 2.126 1.00 0.37 O HETATM 68 O5' THX A 1 -11.877 -12.721 2.248 1.00 0.75 O HETATM 69 O6 THX A 1 -7.882 -12.343 7.345 1.00 0.25 O HETATM 70 O7 THX A 1 0.014 -11.110 2.654 1.00 0.30 O HETATM 71 O8 THX A 1 3.680 -5.785 -3.908 1.00 0.42 O HETATM 72 O9 THX A 1 1.534 1.420 -9.612 1.00 0.36 O HETATM 73 P THX A 1 -13.423 -13.373 2.671 1.00 0.79 P HETATM 0 H5M3 THX A 1 -8.147 -8.641 -3.978 1.00 0.37 H new HETATM 0 H5M2 THX A 1 -9.520 -9.756 -4.175 1.00 0.37 H new HETATM 0 H5M1 THX A 1 -9.699 -8.291 -3.181 1.00 0.37 H new HETATM 0 H5'2 THX A 1 -10.157 -13.574 3.105 1.00 0.53 H new HETATM 0 H5'1 THX A 1 -11.276 -12.873 4.257 1.00 0.53 H new HETATM 0 H452 THX A 1 -1.616 -0.139 -7.528 1.00 0.32 H new HETATM 0 H451 THX A 1 -0.863 1.107 -6.552 1.00 0.32 H new HETATM 0 H442 THX A 1 -0.949 -1.707 -5.889 1.00 0.35 H new HETATM 0 H441 THX A 1 0.016 -0.502 -5.059 1.00 0.35 H new HETATM 0 H342 THX A 1 -0.176 -4.606 -3.466 1.00 0.26 H new HETATM 0 H341 THX A 1 0.541 -4.163 -1.929 1.00 0.26 H new HETATM 0 H332 THX A 1 -1.093 -6.686 -2.583 1.00 0.34 H new HETATM 0 H331 THX A 1 -1.009 -5.832 -1.055 1.00 0.34 H new HETATM 0 H232 THX A 1 -3.033 -9.761 0.717 1.00 0.23 H new HETATM 0 H231 THX A 1 -2.760 -8.289 1.628 1.00 0.23 H new HETATM 0 H222 THX A 1 -5.027 -10.188 2.002 1.00 0.19 H new HETATM 0 H221 THX A 1 -4.757 -8.714 2.910 1.00 0.19 H new HETATM 0 H2'2 THX A 1 -10.590 -8.498 1.786 1.00 0.45 H new HETATM 0 H2'1 THX A 1 -11.202 -9.858 0.865 1.00 0.45 H new HETATM 0 H152 THX A 1 -0.639 2.711 -9.844 1.00 0.32 H new HETATM 0 H151 THX A 1 -1.463 1.775 -8.592 1.00 0.32 H new HETATM 0 H122 THX A 1 -10.672 -10.154 6.394 1.00 0.32 H new HETATM 0 H121 THX A 1 -9.750 -10.510 7.841 1.00 0.32 H new HETATM 0 H112 THX A 1 -9.903 -12.861 7.537 1.00 0.35 H new HETATM 0 H111 THX A 1 -10.076 -12.736 5.798 1.00 0.35 H new HETATM 0 H102 THX A 1 -12.244 -11.693 7.696 1.00 0.42 H new HETATM 0 H101 THX A 1 -12.396 -11.999 5.977 1.00 0.42 H new HETATM 0 HN9 THX A 1 4.380 -4.054 -5.831 1.00 0.43 H new HETATM 0 HN7 THX A 1 1.993 -10.361 1.081 1.00 0.33 H new HETATM 0 HN5 THX A 1 -5.247 -13.050 6.815 1.00 0.20 H new HETATM 0 HN4 THX A 1 -8.510 -9.908 5.320 1.00 0.27 H new HETATM 0 H92 THX A 1 -11.515 -14.387 7.571 1.00 1.09 H new HETATM 0 H91 THX A 1 -13.125 -13.819 7.968 1.00 1.09 H new HETATM 0 H82 THX A 1 -13.264 -15.493 6.131 1.00 1.62 H new HETATM 0 H81 THX A 1 -12.120 -14.584 5.164 1.00 1.62 H new HETATM 0 H72 THX A 1 -14.840 -14.302 4.900 1.00 1.75 H new HETATM 0 H71 THX A 1 -14.555 -13.067 6.109 1.00 1.75 H new HETATM 0 H6 THX A 1 -9.701 -8.735 -0.902 1.00 0.35 H new HETATM 0 H41 THX A 1 3.363 -0.173 -8.923 1.00 0.41 H new HETATM 0 H40 THX A 1 4.683 -2.121 -7.761 1.00 0.44 H new HETATM 0 H4' THX A 1 -9.534 -11.304 4.186 1.00 0.43 H new HETATM 0 H37 THX A 1 0.099 -3.235 -4.640 1.00 0.37 H new HETATM 0 H30 THX A 1 4.046 -7.519 -2.482 1.00 0.39 H new HETATM 0 H3' THX A 1 -12.012 -10.611 2.902 1.00 0.46 H new HETATM 0 H3 THX A 1 -6.617 -12.394 -1.564 1.00 0.32 H new HETATM 0 H29 THX A 1 3.778 -9.350 -0.642 1.00 0.38 H new HETATM 0 H26 THX A 1 -1.597 -7.734 0.222 1.00 0.28 H new HETATM 0 H19 THX A 1 -0.970 -12.403 4.251 1.00 0.25 H new HETATM 0 H18 THX A 1 -2.659 -13.366 5.963 1.00 0.23 H new HETATM 0 H15 THX A 1 -6.408 -9.591 4.139 1.00 0.21 H new HETATM 0 H1' THX A 1 -8.424 -9.398 1.987 1.00 0.35 H new ATOM 125 P DG A 2 -12.223 -8.300 4.451 1.00 0.56 P ATOM 126 OP1 DG A 2 -13.233 -9.050 5.229 1.00 0.63 O ATOM 127 OP2 DG A 2 -12.710 -7.650 3.211 1.00 0.67 O ATOM 128 O5' DG A 2 -11.441 -7.120 5.467 1.00 0.50 O ATOM 129 C5' DG A 2 -10.881 -7.564 6.752 1.00 0.41 C ATOM 130 C4' DG A 2 -9.374 -7.823 6.587 1.00 0.33 C ATOM 131 O4' DG A 2 -9.118 -8.135 5.187 1.00 0.26 O ATOM 132 C3' DG A 2 -8.576 -6.578 6.908 1.00 0.31 C ATOM 133 O3' DG A 2 -7.405 -6.952 7.650 1.00 0.32 O ATOM 134 C2' DG A 2 -8.180 -5.964 5.620 1.00 0.27 C ATOM 135 C1' DG A 2 -8.145 -7.209 4.674 1.00 0.24 C ATOM 136 N9 DG A 2 -8.629 -6.773 3.381 1.00 0.22 N ATOM 137 C8 DG A 2 -9.709 -6.014 3.110 1.00 0.24 C ATOM 138 N7 DG A 2 -9.852 -5.752 1.846 1.00 0.23 N ATOM 139 C5 DG A 2 -8.752 -6.381 1.265 1.00 0.20 C ATOM 140 C6 DG A 2 -8.290 -6.420 -0.125 1.00 0.18 C ATOM 141 O6 DG A 2 -8.866 -5.912 -1.075 1.00 0.18 O ATOM 142 N1 DG A 2 -7.129 -7.093 -0.273 1.00 0.16 N ATOM 143 C2 DG A 2 -6.447 -7.667 0.748 1.00 0.16 C ATOM 144 N2 DG A 2 -5.303 -8.173 0.442 1.00 0.16 N ATOM 145 N3 DG A 2 -6.843 -7.667 2.023 1.00 0.18 N ATOM 146 C4 DG A 2 -7.999 -7.012 2.204 1.00 0.20 C ATOM 0 H5' DG A 2 -11.383 -8.472 7.087 1.00 0.41 H new ATOM 0 H5'' DG A 2 -11.050 -6.806 7.517 1.00 0.41 H new ATOM 0 H4' DG A 2 -9.085 -8.634 7.256 1.00 0.33 H new ATOM 0 H3' DG A 2 -9.160 -5.875 7.502 1.00 0.31 H new ATOM 0 H2' DG A 2 -8.898 -5.215 5.285 1.00 0.27 H new ATOM 0 H2'' DG A 2 -7.210 -5.470 5.683 1.00 0.27 H new ATOM 0 H1' DG A 2 -7.149 -7.646 4.608 1.00 0.24 H new ATOM 0 H8 DG A 2 -10.389 -5.658 3.870 1.00 0.24 H new ATOM 0 H1 DG A 2 -6.741 -7.175 -1.213 1.00 0.16 H new ATOM 0 H21 DG A 2 -4.735 -8.621 1.161 1.00 0.16 H new ATOM 0 H22 DG A 2 -4.965 -8.125 -0.519 1.00 0.16 H new ATOM 158 P DA A 3 -6.304 -5.726 8.176 1.00 0.34 P ATOM 159 OP1 DA A 3 -5.762 -6.066 9.511 1.00 0.35 O ATOM 160 OP2 DA A 3 -6.933 -4.389 8.047 1.00 0.38 O ATOM 161 O5' DA A 3 -5.084 -5.920 6.971 1.00 0.31 O ATOM 162 C5' DA A 3 -4.158 -7.037 7.134 1.00 0.29 C ATOM 163 C4' DA A 3 -3.265 -7.167 5.896 1.00 0.27 C ATOM 164 O4' DA A 3 -4.040 -6.922 4.690 1.00 0.25 O ATOM 165 C3' DA A 3 -2.185 -6.107 5.914 1.00 0.31 C ATOM 166 O3' DA A 3 -0.899 -6.750 5.902 1.00 0.32 O ATOM 167 C2' DA A 3 -2.340 -5.268 4.662 1.00 0.31 C ATOM 168 C1' DA A 3 -3.196 -6.166 3.799 1.00 0.26 C ATOM 169 N9 DA A 3 -4.050 -5.397 2.909 1.00 0.25 N ATOM 170 C8 DA A 3 -4.996 -4.443 3.144 1.00 0.26 C ATOM 171 N7 DA A 3 -5.539 -3.996 2.052 1.00 0.25 N ATOM 172 C5 DA A 3 -4.869 -4.706 1.055 1.00 0.23 C ATOM 173 C6 DA A 3 -4.899 -4.635 -0.335 1.00 0.21 C ATOM 174 N6 DA A 3 -5.733 -3.836 -1.004 1.00 0.22 N ATOM 175 N1 DA A 3 -4.027 -5.406 -1.010 1.00 0.20 N ATOM 176 C2 DA A 3 -3.184 -6.193 -0.322 1.00 0.19 C ATOM 177 N3 DA A 3 -3.083 -6.345 0.959 1.00 0.21 N ATOM 178 C4 DA A 3 -3.969 -5.561 1.590 1.00 0.23 C ATOM 0 H5' DA A 3 -4.715 -7.961 7.289 1.00 0.29 H new ATOM 0 H5'' DA A 3 -3.543 -6.883 8.021 1.00 0.29 H new ATOM 0 H4' DA A 3 -2.842 -8.171 5.906 1.00 0.27 H new ATOM 0 H3' DA A 3 -2.267 -5.483 6.804 1.00 0.31 H new ATOM 0 H2' DA A 3 -2.824 -4.313 4.866 1.00 0.31 H new ATOM 0 H2'' DA A 3 -1.380 -5.046 4.196 1.00 0.31 H new ATOM 0 H1' DA A 3 -2.554 -6.800 3.188 1.00 0.26 H new ATOM 0 H8 DA A 3 -5.265 -4.097 4.131 1.00 0.26 H new ATOM 0 H61 DA A 3 -5.716 -3.820 -2.024 1.00 0.22 H new ATOM 0 H62 DA A 3 -6.387 -3.241 -0.495 1.00 0.22 H new ATOM 0 H2 DA A 3 -2.498 -6.777 -0.918 1.00 0.19 H new ATOM 190 P DT A 4 0.527 -5.806 6.172 1.00 0.36 P ATOM 191 OP1 DT A 4 1.661 -6.688 6.534 1.00 0.38 O ATOM 192 OP2 DT A 4 0.234 -4.702 7.116 1.00 0.38 O ATOM 193 O5' DT A 4 0.746 -5.178 4.572 1.00 0.34 O ATOM 194 C5' DT A 4 1.066 -6.136 3.507 1.00 0.29 C ATOM 195 C4' DT A 4 1.390 -5.394 2.205 1.00 0.25 C ATOM 196 O4' DT A 4 0.171 -4.822 1.636 1.00 0.22 O ATOM 197 C3' DT A 4 2.309 -4.234 2.486 1.00 0.24 C ATOM 198 O3' DT A 4 3.513 -4.410 1.740 1.00 0.23 O ATOM 199 C2' DT A 4 1.598 -2.940 1.994 1.00 0.21 C ATOM 200 C1' DT A 4 0.519 -3.536 1.071 1.00 0.20 C ATOM 201 N1 DT A 4 -0.714 -2.700 1.043 1.00 0.20 N ATOM 202 C2 DT A 4 -1.147 -2.184 -0.171 1.00 0.19 C ATOM 203 O2 DT A 4 -0.529 -2.380 -1.209 1.00 0.19 O ATOM 204 N3 DT A 4 -2.286 -1.423 -0.147 1.00 0.20 N ATOM 205 C4 DT A 4 -3.040 -1.114 0.952 1.00 0.21 C ATOM 206 O4 DT A 4 -4.057 -0.436 0.840 1.00 0.22 O ATOM 207 C5 DT A 4 -2.539 -1.666 2.190 1.00 0.21 C ATOM 208 C7 DT A 4 -3.326 -1.333 3.435 1.00 0.23 C ATOM 209 C6 DT A 4 -1.421 -2.431 2.207 1.00 0.21 C ATOM 0 H5' DT A 4 0.224 -6.810 3.350 1.00 0.29 H new ATOM 0 H5'' DT A 4 1.915 -6.751 3.804 1.00 0.29 H new ATOM 0 H4' DT A 4 1.849 -6.109 1.523 1.00 0.25 H new ATOM 0 H3' DT A 4 2.541 -4.170 3.549 1.00 0.24 H new ATOM 0 H2' DT A 4 1.168 -2.367 2.816 1.00 0.21 H new ATOM 0 H2'' DT A 4 2.276 -2.273 1.461 1.00 0.21 H new ATOM 0 H1' DT A 4 0.904 -3.598 0.053 1.00 0.20 H new ATOM 0 H3 DT A 4 -2.605 -1.048 -1.041 1.00 0.20 H new ATOM 0 H71 DT A 4 -3.232 -2.147 4.153 1.00 0.23 H new ATOM 0 H72 DT A 4 -2.939 -0.414 3.875 1.00 0.23 H new ATOM 0 H73 DT A 4 -4.376 -1.197 3.176 1.00 0.23 H new ATOM 0 H6 DT A 4 -1.073 -2.839 3.144 1.00 0.21 H new ATOM 222 P DT A 5 4.869 -3.414 2.119 1.00 0.27 P ATOM 223 OP1 DT A 5 6.122 -4.189 1.983 1.00 0.31 O ATOM 224 OP2 DT A 5 4.659 -2.731 3.419 1.00 0.30 O ATOM 225 O5' DT A 5 4.725 -2.289 0.831 1.00 0.26 O ATOM 226 C5' DT A 5 4.695 -2.849 -0.505 1.00 0.29 C ATOM 227 C4' DT A 5 4.282 -1.791 -1.514 1.00 0.30 C ATOM 228 O4' DT A 5 2.884 -1.448 -1.348 1.00 0.25 O ATOM 229 C3' DT A 5 5.063 -0.512 -1.313 1.00 0.34 C ATOM 230 O3' DT A 5 5.861 -0.306 -2.510 1.00 0.40 O ATOM 231 C2' DT A 5 4.047 0.626 -1.119 1.00 0.31 C ATOM 232 C1' DT A 5 2.765 -0.051 -1.654 1.00 0.26 C ATOM 233 N1 DT A 5 1.477 0.451 -1.063 1.00 0.22 N ATOM 234 C2 DT A 5 0.474 0.903 -1.944 1.00 0.22 C ATOM 235 O2 DT A 5 0.625 0.881 -3.160 1.00 0.23 O ATOM 236 N3 DT A 5 -0.686 1.363 -1.380 1.00 0.23 N ATOM 237 C4 DT A 5 -0.970 1.435 -0.041 1.00 0.24 C ATOM 238 O4 DT A 5 -2.053 1.868 0.342 1.00 0.28 O ATOM 239 C5 DT A 5 0.095 0.962 0.827 1.00 0.23 C ATOM 240 C7 DT A 5 -0.171 1.045 2.309 1.00 0.25 C ATOM 241 C6 DT A 5 1.258 0.484 0.316 1.00 0.22 C ATOM 0 H5' DT A 5 3.997 -3.686 -0.540 1.00 0.29 H new ATOM 0 H5'' DT A 5 5.678 -3.243 -0.763 1.00 0.29 H new ATOM 0 H4' DT A 5 4.473 -2.210 -2.502 1.00 0.30 H new ATOM 0 H3' DT A 5 5.720 -0.550 -0.444 1.00 0.34 H new ATOM 0 H2' DT A 5 3.954 0.925 -0.075 1.00 0.31 H new ATOM 0 H2'' DT A 5 4.312 1.519 -1.685 1.00 0.31 H new ATOM 0 H1' DT A 5 2.703 0.174 -2.719 1.00 0.26 H new ATOM 0 H3 DT A 5 -1.412 1.684 -2.021 1.00 0.23 H new ATOM 0 H71 DT A 5 0.366 0.246 2.820 1.00 0.25 H new ATOM 0 H72 DT A 5 0.168 2.010 2.686 1.00 0.25 H new ATOM 0 H73 DT A 5 -1.240 0.939 2.493 1.00 0.25 H new ATOM 0 H6 DT A 5 2.025 0.124 0.985 1.00 0.22 H new ATOM 254 P DA A 6 6.172 1.273 -3.123 1.00 0.39 P ATOM 255 OP1 DA A 6 7.372 1.255 -3.991 1.00 0.41 O ATOM 256 OP2 DA A 6 6.176 2.265 -2.020 1.00 0.38 O ATOM 257 O5' DA A 6 4.746 1.456 -4.080 1.00 0.46 O ATOM 258 C5' DA A 6 4.935 1.735 -5.493 1.00 0.55 C ATOM 259 C4' DA A 6 3.968 2.783 -5.951 1.00 0.44 C ATOM 260 O4' DA A 6 2.718 2.724 -5.196 1.00 0.43 O ATOM 261 C3' DA A 6 4.598 4.075 -5.649 1.00 0.34 C ATOM 262 O3' DA A 6 4.652 4.821 -6.881 1.00 0.38 O ATOM 263 C2' DA A 6 3.584 4.855 -4.603 1.00 0.28 C ATOM 264 C1' DA A 6 2.331 4.085 -4.881 1.00 0.35 C ATOM 265 N9 DA A 6 1.460 4.081 -3.730 1.00 0.35 N ATOM 266 C8 DA A 6 1.776 4.101 -2.429 1.00 0.33 C ATOM 267 N7 DA A 6 0.736 4.199 -1.646 1.00 0.35 N ATOM 268 C5 DA A 6 -0.339 4.265 -2.548 1.00 0.36 C ATOM 269 C6 DA A 6 -1.720 4.479 -2.374 1.00 0.38 C ATOM 270 N6 DA A 6 -2.291 4.580 -1.179 1.00 0.39 N ATOM 271 N1 DA A 6 -2.479 4.589 -3.477 1.00 0.39 N ATOM 272 C2 DA A 6 -1.899 4.491 -4.663 1.00 0.40 C ATOM 273 N3 DA A 6 -0.629 4.285 -4.959 1.00 0.39 N ATOM 274 C4 DA A 6 0.098 4.182 -3.825 1.00 0.37 C ATOM 0 H5' DA A 6 4.794 0.823 -6.073 1.00 0.55 H new ATOM 0 H5'' DA A 6 5.957 2.071 -5.671 1.00 0.55 H new ATOM 0 H4' DA A 6 3.743 2.640 -7.008 1.00 0.44 H new ATOM 0 H3' DA A 6 5.596 3.966 -5.225 1.00 0.34 H new ATOM 0 H2' DA A 6 3.906 4.776 -3.565 1.00 0.28 H new ATOM 0 H2'' DA A 6 3.484 5.917 -4.825 1.00 0.28 H new ATOM 0 H1' DA A 6 1.791 4.546 -5.708 1.00 0.35 H new ATOM 0 H8 DA A 6 2.791 4.042 -2.064 1.00 0.33 H new ATOM 0 H61 DA A 6 -3.296 4.735 -1.106 1.00 0.39 H new ATOM 0 H62 DA A 6 -1.724 4.502 -0.335 1.00 0.39 H new ATOM 0 H2 DA A 6 -2.560 4.595 -5.511 1.00 0.40 H new ATOM 286 P DT A 7 5.239 6.447 -6.887 1.00 0.34 P ATOM 287 OP1 DT A 7 6.370 6.574 -7.834 1.00 0.48 O ATOM 288 OP2 DT A 7 5.495 6.902 -5.500 1.00 0.28 O ATOM 289 O5' DT A 7 3.841 7.245 -7.521 1.00 0.33 O ATOM 290 C5' DT A 7 3.202 6.663 -8.703 1.00 0.48 C ATOM 291 C4' DT A 7 1.765 7.179 -8.826 1.00 0.49 C ATOM 292 O4' DT A 7 1.019 6.815 -7.640 1.00 0.42 O ATOM 293 C3' DT A 7 1.753 8.689 -8.885 1.00 0.50 C ATOM 294 O3' DT A 7 1.003 9.086 -10.054 1.00 0.62 O ATOM 295 C2' DT A 7 1.042 9.199 -7.644 1.00 0.40 C ATOM 296 C1' DT A 7 0.252 7.968 -7.227 1.00 0.37 C ATOM 297 N1 DT A 7 0.119 7.875 -5.773 1.00 0.28 N ATOM 298 C2 DT A 7 -1.148 7.751 -5.176 1.00 0.28 C ATOM 299 O2 DT A 7 -2.180 7.767 -5.833 1.00 0.33 O ATOM 300 N3 DT A 7 -1.168 7.600 -3.811 1.00 0.24 N ATOM 301 C4 DT A 7 -0.068 7.551 -2.987 1.00 0.23 C ATOM 302 O4 DT A 7 -0.201 7.396 -1.778 1.00 0.27 O ATOM 303 C5 DT A 7 1.204 7.693 -3.682 1.00 0.22 C ATOM 304 C7 DT A 7 2.450 7.577 -2.842 1.00 0.26 C ATOM 305 C6 DT A 7 1.249 7.856 -5.020 1.00 0.24 C ATOM 0 H5' DT A 7 3.202 5.576 -8.629 1.00 0.48 H new ATOM 0 H5'' DT A 7 3.768 6.922 -9.598 1.00 0.48 H new ATOM 0 H4' DT A 7 1.330 6.748 -9.728 1.00 0.49 H new ATOM 0 H3' DT A 7 2.765 9.090 -8.934 1.00 0.50 H new ATOM 0 H2' DT A 7 1.741 9.520 -6.872 1.00 0.40 H new ATOM 0 H2'' DT A 7 0.395 10.049 -7.861 1.00 0.40 H new ATOM 0 H1' DT A 7 -0.740 8.022 -7.676 1.00 0.37 H new ATOM 0 H3 DT A 7 -2.083 7.517 -3.368 1.00 0.24 H new ATOM 0 H71 DT A 7 2.240 7.924 -1.830 1.00 0.26 H new ATOM 0 H72 DT A 7 2.771 6.536 -2.809 1.00 0.26 H new ATOM 0 H73 DT A 7 3.241 8.187 -3.278 1.00 0.26 H new ATOM 0 H6 DT A 7 2.207 7.974 -5.504 1.00 0.24 H new ATOM 318 P DC A 8 0.836 10.765 -10.452 1.00 0.68 P ATOM 319 OP1 DC A 8 0.569 10.915 -11.901 1.00 0.86 O ATOM 320 OP2 DC A 8 1.984 11.533 -9.917 1.00 0.78 O ATOM 321 O5' DC A 8 -0.594 11.131 -9.544 1.00 0.53 O ATOM 322 C5' DC A 8 -1.790 11.529 -10.291 1.00 0.53 C ATOM 323 C4' DC A 8 -2.866 12.051 -9.326 1.00 0.45 C ATOM 324 O4' DC A 8 -2.721 11.410 -8.039 1.00 0.37 O ATOM 325 C3' DC A 8 -2.682 13.532 -9.077 1.00 0.47 C ATOM 326 O3' DC A 8 -3.925 14.196 -9.377 1.00 0.50 O ATOM 327 C2' DC A 8 -2.358 13.714 -7.597 1.00 0.40 C ATOM 328 C1' DC A 8 -2.883 12.421 -7.025 1.00 0.33 C ATOM 329 N1 DC A 8 -2.134 11.970 -5.840 1.00 0.27 N ATOM 330 C2 DC A 8 -2.816 11.735 -4.632 1.00 0.22 C ATOM 331 O2 DC A 8 -4.008 11.977 -4.519 1.00 0.24 O ATOM 332 N3 DC A 8 -2.109 11.256 -3.584 1.00 0.17 N ATOM 333 C4 DC A 8 -0.800 10.995 -3.679 1.00 0.19 C ATOM 334 N4 DC A 8 -0.166 10.512 -2.614 1.00 0.18 N ATOM 335 C5 DC A 8 -0.081 11.233 -4.897 1.00 0.26 C ATOM 336 C6 DC A 8 -0.800 11.731 -5.952 1.00 0.29 C ATOM 0 H5' DC A 8 -2.176 10.679 -10.854 1.00 0.53 H new ATOM 0 H5'' DC A 8 -1.535 12.302 -11.016 1.00 0.53 H new ATOM 0 H4' DC A 8 -3.837 11.845 -9.776 1.00 0.45 H new ATOM 0 H3' DC A 8 -1.884 13.944 -9.694 1.00 0.47 H new ATOM 0 H2' DC A 8 -1.289 13.839 -7.421 1.00 0.40 H new ATOM 0 H2'' DC A 8 -2.855 14.585 -7.170 1.00 0.40 H new ATOM 0 H1' DC A 8 -3.919 12.582 -6.728 1.00 0.33 H new ATOM 0 H41 DC A 8 0.832 10.306 -2.664 1.00 0.18 H new ATOM 0 H42 DC A 8 -0.678 10.348 -1.747 1.00 0.18 H new ATOM 0 H5 DC A 8 0.976 11.029 -4.979 1.00 0.26 H new ATOM 0 H6 DC A 8 -0.300 11.937 -6.887 1.00 0.29 H new ATOM 348 P DT A 9 -4.031 15.919 -9.260 1.00 0.63 P ATOM 349 OP1 DT A 9 -4.945 16.443 -10.300 1.00 0.75 O ATOM 350 OP2 DT A 9 -2.673 16.509 -9.224 1.00 0.68 O ATOM 351 O5' DT A 9 -4.770 16.043 -7.705 1.00 0.61 O ATOM 352 C5' DT A 9 -6.133 15.535 -7.570 1.00 0.62 C ATOM 353 C4' DT A 9 -6.613 15.726 -6.137 1.00 0.63 C ATOM 354 O4' DT A 9 -5.672 15.094 -5.225 1.00 0.53 O ATOM 355 C3' DT A 9 -6.651 17.200 -5.789 1.00 0.71 C ATOM 356 O3' DT A 9 -7.954 17.451 -5.168 1.00 0.80 O ATOM 357 C2' DT A 9 -5.507 17.478 -4.820 1.00 0.63 C ATOM 358 C1' DT A 9 -5.346 16.031 -4.184 1.00 0.51 C ATOM 359 N1 DT A 9 -3.972 15.672 -3.698 1.00 0.41 N ATOM 360 C2 DT A 9 -3.842 15.246 -2.367 1.00 0.32 C ATOM 361 O2 DT A 9 -4.813 15.140 -1.628 1.00 0.32 O ATOM 362 N3 DT A 9 -2.589 14.916 -1.937 1.00 0.29 N ATOM 363 C4 DT A 9 -1.437 14.955 -2.680 1.00 0.34 C ATOM 364 O4 DT A 9 -0.366 14.628 -2.184 1.00 0.38 O ATOM 365 C5 DT A 9 -1.622 15.402 -4.051 1.00 0.40 C ATOM 366 C7 DT A 9 -0.380 15.473 -4.899 1.00 0.47 C ATOM 367 C6 DT A 9 -2.848 15.735 -4.521 1.00 0.44 C ATOM 0 H5' DT A 9 -6.166 14.479 -7.837 1.00 0.62 H new ATOM 0 H5'' DT A 9 -6.796 16.058 -8.259 1.00 0.62 H new ATOM 0 H4' DT A 9 -7.607 15.288 -6.048 1.00 0.63 H new ATOM 0 H3' DT A 9 -6.532 17.848 -6.657 1.00 0.71 H new ATOM 0 H2' DT A 9 -4.603 17.817 -5.325 1.00 0.63 H new ATOM 0 H2'' DT A 9 -5.761 18.236 -4.079 1.00 0.63 H new ATOM 0 H1' DT A 9 -5.991 16.009 -3.305 1.00 0.51 H new ATOM 0 H3 DT A 9 -2.501 14.610 -0.968 1.00 0.29 H new ATOM 0 H71 DT A 9 0.480 15.692 -4.267 1.00 0.47 H new ATOM 0 H72 DT A 9 -0.227 14.518 -5.401 1.00 0.47 H new ATOM 0 H73 DT A 9 -0.493 16.261 -5.644 1.00 0.47 H new ATOM 0 H6 DT A 9 -2.956 16.054 -5.547 1.00 0.44 H new ATOM 380 P DG A 10 -8.132 18.379 -3.716 1.00 0.96 P ATOM 381 OP1 DG A 10 -9.552 18.768 -3.536 1.00 1.11 O ATOM 382 OP2 DG A 10 -7.148 19.487 -3.694 1.00 0.99 O ATOM 383 O5' DG A 10 -7.689 17.171 -2.557 1.00 0.88 O ATOM 384 C5' DG A 10 -8.745 16.609 -1.705 1.00 0.93 C ATOM 385 C4' DG A 10 -8.680 17.244 -0.310 1.00 0.92 C ATOM 386 O4' DG A 10 -7.446 16.841 0.338 1.00 0.74 O ATOM 387 C3' DG A 10 -8.620 18.742 -0.428 1.00 1.00 C ATOM 388 O3' DG A 10 -9.340 19.393 0.620 1.00 1.11 O ATOM 389 C2' DG A 10 -7.172 19.122 -0.319 1.00 0.87 C ATOM 390 C1' DG A 10 -6.670 18.037 0.614 1.00 0.72 C ATOM 391 N9 DG A 10 -5.276 17.725 0.351 1.00 0.57 N ATOM 392 C8 DG A 10 -4.626 17.669 -0.821 1.00 0.55 C ATOM 393 N7 DG A 10 -3.356 17.399 -0.696 1.00 0.47 N ATOM 394 C5 DG A 10 -3.185 17.275 0.689 1.00 0.43 C ATOM 395 C6 DG A 10 -1.980 17.018 1.493 1.00 0.41 C ATOM 396 O6 DG A 10 -0.861 16.823 1.035 1.00 0.44 O ATOM 397 N1 DG A 10 -2.219 17.020 2.839 1.00 0.39 N ATOM 398 C2 DG A 10 -3.449 17.243 3.399 1.00 0.40 C ATOM 399 N2 DG A 10 -3.511 17.214 4.722 1.00 0.38 N ATOM 400 N3 DG A 10 -4.569 17.472 2.689 1.00 0.47 N ATOM 401 C4 DG A 10 -4.357 17.466 1.343 1.00 0.48 C ATOM 0 H5' DG A 10 -8.627 15.528 -1.628 1.00 0.93 H new ATOM 0 H5'' DG A 10 -9.722 16.792 -2.153 1.00 0.93 H new ATOM 0 H4' DG A 10 -9.559 16.928 0.251 1.00 0.92 H new ATOM 0 H3' DG A 10 -9.069 19.049 -1.373 1.00 1.00 H new ATOM 0 H2' DG A 10 -6.666 19.106 -1.284 1.00 0.87 H new ATOM 0 H2'' DG A 10 -7.036 20.121 0.096 1.00 0.87 H new ATOM 0 HO3' DG A 10 -9.275 20.364 0.507 1.00 1.11 H new ATOM 0 H1' DG A 10 -6.769 18.375 1.646 1.00 0.72 H new ATOM 0 H8 DG A 10 -5.107 17.831 -1.774 1.00 0.55 H new ATOM 0 H1 DG A 10 -1.433 16.845 3.465 1.00 0.39 H new ATOM 0 H21 DG A 10 -4.401 17.373 5.194 1.00 0.38 H new ATOM 0 H22 DG A 10 -2.669 17.032 5.268 1.00 0.38 H new TER 414 DG A 10 ATOM 415 O5' DC B 11 4.620 16.618 8.755 1.00 0.81 O ATOM 416 C5' DC B 11 3.879 17.486 9.661 1.00 0.74 C ATOM 417 C4' DC B 11 2.384 17.241 9.487 1.00 0.68 C ATOM 418 O4' DC B 11 2.003 17.566 8.122 1.00 0.68 O ATOM 419 C3' DC B 11 2.066 15.770 9.696 1.00 0.64 C ATOM 420 O3' DC B 11 0.991 15.682 10.669 1.00 0.61 O ATOM 421 C2' DC B 11 1.595 15.199 8.364 1.00 0.62 C ATOM 422 C1' DC B 11 1.133 16.531 7.642 1.00 0.60 C ATOM 423 N1 DC B 11 1.284 16.485 6.167 1.00 0.61 N ATOM 424 C2 DC B 11 0.134 16.575 5.351 1.00 0.54 C ATOM 425 O2 DC B 11 -0.986 16.695 5.836 1.00 0.48 O ATOM 426 N3 DC B 11 0.298 16.520 4.013 1.00 0.55 N ATOM 427 C4 DC B 11 1.506 16.393 3.456 1.00 0.64 C ATOM 428 N4 DC B 11 1.598 16.351 2.132 1.00 0.66 N ATOM 429 C5 DC B 11 2.688 16.298 4.256 1.00 0.71 C ATOM 430 C6 DC B 11 2.534 16.355 5.604 1.00 0.69 C ATOM 0 H5' DC B 11 4.114 18.530 9.455 1.00 0.74 H new ATOM 0 H5'' DC B 11 4.173 17.290 10.692 1.00 0.74 H new ATOM 0 H4' DC B 11 1.848 17.856 10.210 1.00 0.68 H new ATOM 0 H3' DC B 11 2.936 15.218 10.050 1.00 0.64 H new ATOM 0 H2' DC B 11 2.392 14.688 7.825 1.00 0.62 H new ATOM 0 H2'' DC B 11 0.780 14.485 8.482 1.00 0.62 H new ATOM 0 HO5' DC B 11 5.581 16.775 8.864 1.00 0.81 H new ATOM 0 H1' DC B 11 0.076 16.690 7.858 1.00 0.60 H new ATOM 0 H41 DC B 11 2.511 16.254 1.687 1.00 0.66 H new ATOM 0 H42 DC B 11 0.756 16.415 1.560 1.00 0.66 H new ATOM 0 H5 DC B 11 3.663 16.185 3.806 1.00 0.71 H new ATOM 0 H6 DC B 11 3.403 16.298 6.243 1.00 0.69 H new ATOM 443 P DA B 12 0.072 14.218 10.843 1.00 0.58 P ATOM 444 OP1 DA B 12 -0.757 14.279 12.068 1.00 0.58 O ATOM 445 OP2 DA B 12 0.962 13.042 10.710 1.00 0.57 O ATOM 446 O5' DA B 12 -0.930 14.363 9.437 1.00 0.61 O ATOM 447 C5' DA B 12 -1.978 13.361 9.234 1.00 0.42 C ATOM 448 C4' DA B 12 -2.951 13.861 8.168 1.00 0.39 C ATOM 449 O4' DA B 12 -2.220 14.201 6.966 1.00 0.36 O ATOM 450 C3' DA B 12 -3.921 12.759 7.779 1.00 0.37 C ATOM 451 O3' DA B 12 -5.260 13.249 8.004 1.00 0.42 O ATOM 452 C2' DA B 12 -3.728 12.462 6.302 1.00 0.31 C ATOM 453 C1' DA B 12 -3.011 13.770 5.851 1.00 0.32 C ATOM 454 N9 DA B 12 -2.094 13.599 4.690 1.00 0.32 N ATOM 455 C8 DA B 12 -0.772 13.241 4.620 1.00 0.39 C ATOM 456 N7 DA B 12 -0.300 13.272 3.412 1.00 0.39 N ATOM 457 C5 DA B 12 -1.393 13.664 2.636 1.00 0.31 C ATOM 458 C6 DA B 12 -1.564 13.799 1.250 1.00 0.29 C ATOM 459 N6 DA B 12 -0.574 13.630 0.382 1.00 0.34 N ATOM 460 N1 DA B 12 -2.787 14.111 0.799 1.00 0.25 N ATOM 461 C2 DA B 12 -3.769 14.276 1.677 1.00 0.24 C ATOM 462 N3 DA B 12 -3.739 14.183 2.994 1.00 0.25 N ATOM 463 C4 DA B 12 -2.492 13.871 3.405 1.00 0.27 C ATOM 0 H5' DA B 12 -2.507 13.176 10.169 1.00 0.42 H new ATOM 0 H5'' DA B 12 -1.537 12.413 8.925 1.00 0.42 H new ATOM 0 H4' DA B 12 -3.481 14.722 8.577 1.00 0.39 H new ATOM 0 H3' DA B 12 -3.752 11.854 8.362 1.00 0.37 H new ATOM 0 H2' DA B 12 -3.119 11.574 6.132 1.00 0.31 H new ATOM 0 H2'' DA B 12 -4.673 12.305 5.782 1.00 0.31 H new ATOM 0 H1' DA B 12 -3.778 14.479 5.539 1.00 0.32 H new ATOM 0 H8 DA B 12 -0.184 12.962 5.482 1.00 0.39 H new ATOM 0 H61 DA B 12 -0.748 13.739 -0.617 1.00 0.34 H new ATOM 0 H62 DA B 12 0.360 13.391 0.714 1.00 0.34 H new ATOM 0 H2 DA B 12 -4.731 14.522 1.253 1.00 0.24 H new ATOM 475 P DG B 13 -6.612 12.188 7.840 1.00 0.42 P ATOM 476 OP1 DG B 13 -7.780 12.736 8.569 1.00 0.50 O ATOM 477 OP2 DG B 13 -6.217 10.803 8.187 1.00 0.43 O ATOM 478 O5' DG B 13 -6.858 12.326 6.136 1.00 0.34 O ATOM 479 C5' DG B 13 -7.586 13.500 5.648 1.00 0.26 C ATOM 480 C4' DG B 13 -8.114 13.228 4.239 1.00 0.18 C ATOM 481 O4' DG B 13 -6.999 13.191 3.308 1.00 0.11 O ATOM 482 C3' DG B 13 -8.774 11.864 4.183 1.00 0.22 C ATOM 483 O3' DG B 13 -10.066 12.027 3.558 1.00 0.24 O ATOM 484 C2' DG B 13 -7.889 10.963 3.320 1.00 0.19 C ATOM 485 C1' DG B 13 -7.146 12.021 2.471 1.00 0.10 C ATOM 486 N9 DG B 13 -5.806 11.560 2.142 1.00 0.10 N ATOM 487 C8 DG B 13 -4.889 10.951 2.929 1.00 0.15 C ATOM 488 N7 DG B 13 -3.784 10.665 2.306 1.00 0.18 N ATOM 489 C5 DG B 13 -4.023 11.121 1.002 1.00 0.17 C ATOM 490 C6 DG B 13 -3.195 11.051 -0.211 1.00 0.23 C ATOM 491 O6 DG B 13 -2.062 10.583 -0.261 1.00 0.28 O ATOM 492 N1 DG B 13 -3.819 11.561 -1.316 1.00 0.25 N ATOM 493 C2 DG B 13 -5.090 12.081 -1.308 1.00 0.23 C ATOM 494 N2 DG B 13 -5.567 12.508 -2.462 1.00 0.30 N ATOM 495 N3 DG B 13 -5.856 12.168 -0.215 1.00 0.17 N ATOM 496 C4 DG B 13 -5.258 11.673 0.896 1.00 0.13 C ATOM 0 H5' DG B 13 -6.929 14.370 5.639 1.00 0.26 H new ATOM 0 H5'' DG B 13 -8.413 13.732 6.319 1.00 0.26 H new ATOM 0 H4' DG B 13 -8.826 14.013 3.983 1.00 0.18 H new ATOM 0 H3' DG B 13 -8.897 11.427 5.174 1.00 0.22 H new ATOM 0 H2' DG B 13 -7.207 10.358 3.917 1.00 0.19 H new ATOM 0 H2'' DG B 13 -8.471 10.275 2.707 1.00 0.19 H new ATOM 0 H1' DG B 13 -7.699 12.217 1.552 1.00 0.10 H new ATOM 0 H8 DG B 13 -5.058 10.725 3.971 1.00 0.15 H new ATOM 0 H1 DG B 13 -3.309 11.555 -2.200 1.00 0.25 H new ATOM 0 H21 DG B 13 -6.506 12.903 -2.511 1.00 0.30 H new ATOM 0 H22 DG B 13 -4.997 12.443 -3.305 1.00 0.30 H new ATOM 508 P DA B 14 -11.048 10.649 3.206 1.00 0.29 P ATOM 509 OP1 DA B 14 -12.479 11.028 3.207 1.00 0.33 O ATOM 510 OP2 DA B 14 -10.671 9.516 4.084 1.00 0.34 O ATOM 511 O5' DA B 14 -10.513 10.354 1.592 1.00 0.32 O ATOM 512 C5' DA B 14 -10.481 11.491 0.664 1.00 0.37 C ATOM 513 C4' DA B 14 -9.994 11.017 -0.701 1.00 0.37 C ATOM 514 O4' DA B 14 -8.560 10.844 -0.657 1.00 0.35 O ATOM 515 C3' DA B 14 -10.585 9.664 -1.020 1.00 0.37 C ATOM 516 O3' DA B 14 -11.244 9.748 -2.304 1.00 0.45 O ATOM 517 C2' DA B 14 -9.432 8.656 -1.110 1.00 0.31 C ATOM 518 C1' DA B 14 -8.240 9.625 -1.346 1.00 0.31 C ATOM 519 N9 DA B 14 -7.012 9.112 -0.744 1.00 0.27 N ATOM 520 C8 DA B 14 -6.744 8.760 0.548 1.00 0.25 C ATOM 521 N7 DA B 14 -5.522 8.345 0.716 1.00 0.23 N ATOM 522 C5 DA B 14 -4.966 8.425 -0.573 1.00 0.24 C ATOM 523 C6 DA B 14 -3.718 8.040 -1.094 1.00 0.25 C ATOM 524 N6 DA B 14 -2.732 7.582 -0.334 1.00 0.24 N ATOM 525 N1 DA B 14 -3.528 8.160 -2.416 1.00 0.27 N ATOM 526 C2 DA B 14 -4.513 8.634 -3.163 1.00 0.28 C ATOM 527 N3 DA B 14 -5.718 9.035 -2.802 1.00 0.28 N ATOM 528 C4 DA B 14 -5.870 8.897 -1.466 1.00 0.26 C ATOM 0 H5' DA B 14 -9.821 12.269 1.048 1.00 0.37 H new ATOM 0 H5'' DA B 14 -11.475 11.930 0.575 1.00 0.37 H new ATOM 0 H4' DA B 14 -10.289 11.754 -1.448 1.00 0.37 H new ATOM 0 H3' DA B 14 -11.299 9.356 -0.256 1.00 0.37 H new ATOM 0 H2' DA B 14 -9.318 8.071 -0.197 1.00 0.31 H new ATOM 0 H2'' DA B 14 -9.561 7.948 -1.929 1.00 0.31 H new ATOM 0 H1' DA B 14 -8.087 9.754 -2.417 1.00 0.31 H new ATOM 0 H8 DA B 14 -7.469 8.820 1.346 1.00 0.25 H new ATOM 0 H61 DA B 14 -1.843 7.315 -0.758 1.00 0.24 H new ATOM 0 H62 DA B 14 -2.862 7.497 0.674 1.00 0.24 H new ATOM 0 H2 DA B 14 -4.300 8.702 -4.220 1.00 0.28 H new ATOM 540 P DT B 15 -12.113 8.383 -2.919 1.00 0.53 P ATOM 541 OP1 DT B 15 -13.322 8.835 -3.649 1.00 0.62 O ATOM 542 OP2 DT B 15 -12.337 7.396 -1.837 1.00 0.49 O ATOM 543 O5' DT B 15 -10.932 7.772 -4.035 1.00 0.55 O ATOM 544 C5' DT B 15 -11.194 7.952 -5.466 1.00 0.52 C ATOM 545 C4' DT B 15 -10.136 7.208 -6.299 1.00 0.50 C ATOM 546 O4' DT B 15 -8.858 7.207 -5.596 1.00 0.46 O ATOM 547 C3' DT B 15 -10.527 5.752 -6.474 1.00 0.48 C ATOM 548 O3' DT B 15 -10.350 5.425 -7.874 1.00 0.54 O ATOM 549 C2' DT B 15 -9.577 4.923 -5.624 1.00 0.40 C ATOM 550 C1' DT B 15 -8.334 5.860 -5.638 1.00 0.41 C ATOM 551 N1 DT B 15 -7.455 5.678 -4.458 1.00 0.36 N ATOM 552 C2 DT B 15 -6.066 5.556 -4.645 1.00 0.36 C ATOM 553 O2 DT B 15 -5.557 5.615 -5.754 1.00 0.39 O ATOM 554 N3 DT B 15 -5.306 5.372 -3.516 1.00 0.32 N ATOM 555 C4 DT B 15 -5.773 5.299 -2.226 1.00 0.29 C ATOM 556 O4 DT B 15 -4.997 5.132 -1.292 1.00 0.27 O ATOM 557 C5 DT B 15 -7.216 5.429 -2.102 1.00 0.30 C ATOM 558 C7 DT B 15 -7.769 5.359 -0.705 1.00 0.28 C ATOM 559 C6 DT B 15 -7.998 5.614 -3.191 1.00 0.34 C ATOM 0 H5' DT B 15 -11.182 9.013 -5.714 1.00 0.52 H new ATOM 0 H5'' DT B 15 -12.188 7.578 -5.711 1.00 0.52 H new ATOM 0 H4' DT B 15 -10.063 7.713 -7.262 1.00 0.50 H new ATOM 0 H3' DT B 15 -11.557 5.559 -6.174 1.00 0.48 H new ATOM 0 H2' DT B 15 -9.959 4.749 -4.618 1.00 0.40 H new ATOM 0 H2'' DT B 15 -9.370 3.946 -6.060 1.00 0.40 H new ATOM 0 H1' DT B 15 -7.733 5.641 -6.521 1.00 0.41 H new ATOM 0 H3 DT B 15 -4.299 5.281 -3.648 1.00 0.32 H new ATOM 0 H71 DT B 15 -8.676 5.960 -0.642 1.00 0.28 H new ATOM 0 H72 DT B 15 -8.002 4.323 -0.457 1.00 0.28 H new ATOM 0 H73 DT B 15 -7.030 5.743 -0.002 1.00 0.28 H new ATOM 0 H6 DT B 15 -9.066 5.713 -3.066 1.00 0.34 H new ATOM 572 P DA B 16 -10.474 3.792 -8.424 1.00 0.49 P ATOM 573 OP1 DA B 16 -10.850 3.765 -9.856 1.00 0.56 O ATOM 574 OP2 DA B 16 -11.335 3.009 -7.507 1.00 0.47 O ATOM 575 O5' DA B 16 -8.822 3.315 -8.236 1.00 0.41 O ATOM 576 C5' DA B 16 -7.800 4.137 -8.894 1.00 0.48 C ATOM 577 C4' DA B 16 -6.490 3.350 -8.999 1.00 0.46 C ATOM 578 O4' DA B 16 -5.767 3.487 -7.751 1.00 0.39 O ATOM 579 C3' DA B 16 -6.772 1.872 -9.190 1.00 0.40 C ATOM 580 O3' DA B 16 -5.885 1.381 -10.207 1.00 0.46 O ATOM 581 C2' DA B 16 -6.494 1.178 -7.877 1.00 0.32 C ATOM 582 C1' DA B 16 -5.433 2.175 -7.260 1.00 0.34 C ATOM 583 N9 DA B 16 -5.553 2.249 -5.810 1.00 0.30 N ATOM 584 C8 DA B 16 -6.633 2.520 -5.045 1.00 0.31 C ATOM 585 N7 DA B 16 -6.368 2.545 -3.770 1.00 0.32 N ATOM 586 C5 DA B 16 -4.998 2.253 -3.721 1.00 0.31 C ATOM 587 C6 DA B 16 -4.111 2.036 -2.654 1.00 0.32 C ATOM 588 N6 DA B 16 -4.455 2.203 -1.380 1.00 0.35 N ATOM 589 N1 DA B 16 -2.859 1.667 -2.953 1.00 0.31 N ATOM 590 C2 DA B 16 -2.518 1.527 -4.226 1.00 0.31 C ATOM 591 N3 DA B 16 -3.243 1.706 -5.309 1.00 0.32 N ATOM 592 C4 DA B 16 -4.494 2.076 -4.968 1.00 0.30 C ATOM 0 H5' DA B 16 -7.639 5.055 -8.329 1.00 0.48 H new ATOM 0 H5'' DA B 16 -8.140 4.430 -9.887 1.00 0.48 H new ATOM 0 H4' DA B 16 -5.920 3.735 -9.845 1.00 0.46 H new ATOM 0 H3' DA B 16 -7.804 1.691 -9.490 1.00 0.40 H new ATOM 0 H2' DA B 16 -7.386 1.084 -7.258 1.00 0.32 H new ATOM 0 H2'' DA B 16 -6.093 0.174 -8.013 1.00 0.32 H new ATOM 0 H1' DA B 16 -4.432 1.838 -7.528 1.00 0.34 H new ATOM 0 H8 DA B 16 -7.618 2.698 -5.450 1.00 0.31 H new ATOM 0 H61 DA B 16 -3.773 2.032 -0.641 1.00 0.35 H new ATOM 0 H62 DA B 16 -5.401 2.502 -1.142 1.00 0.35 H new ATOM 0 H2 DA B 16 -1.497 1.222 -4.399 1.00 0.31 H new ATOM 604 P DA B 17 -6.196 -0.132 -10.970 1.00 0.49 P ATOM 605 OP1 DA B 17 -5.935 -0.036 -12.423 1.00 0.64 O ATOM 606 OP2 DA B 17 -7.532 -0.640 -10.576 1.00 0.46 O ATOM 607 O5' DA B 17 -4.968 -1.061 -10.209 1.00 0.43 O ATOM 608 C5' DA B 17 -3.701 -0.394 -9.891 1.00 0.57 C ATOM 609 C4' DA B 17 -2.713 -1.417 -9.319 1.00 0.50 C ATOM 610 O4' DA B 17 -2.722 -1.303 -7.875 1.00 0.39 O ATOM 611 C3' DA B 17 -3.174 -2.813 -9.628 1.00 0.48 C ATOM 612 O3' DA B 17 -2.013 -3.634 -9.854 1.00 0.54 O ATOM 613 C2' DA B 17 -3.905 -3.311 -8.408 1.00 0.39 C ATOM 614 C1' DA B 17 -3.150 -2.568 -7.312 1.00 0.33 C ATOM 615 N9 DA B 17 -4.023 -2.248 -6.186 1.00 0.26 N ATOM 616 C8 DA B 17 -5.351 -1.979 -6.162 1.00 0.24 C ATOM 617 N7 DA B 17 -5.788 -1.652 -4.981 1.00 0.22 N ATOM 618 C5 DA B 17 -4.645 -1.734 -4.183 1.00 0.21 C ATOM 619 C6 DA B 17 -4.440 -1.600 -2.807 1.00 0.23 C ATOM 620 N6 DA B 17 -5.393 -1.219 -1.959 1.00 0.29 N ATOM 621 N1 DA B 17 -3.221 -1.847 -2.344 1.00 0.22 N ATOM 622 C2 DA B 17 -2.265 -2.196 -3.185 1.00 0.20 C ATOM 623 N3 DA B 17 -2.317 -2.351 -4.483 1.00 0.22 N ATOM 624 C4 DA B 17 -3.560 -2.093 -4.919 1.00 0.22 C ATOM 0 H5' DA B 17 -3.870 0.406 -9.170 1.00 0.57 H new ATOM 0 H5'' DA B 17 -3.286 0.067 -10.787 1.00 0.57 H new ATOM 0 H4' DA B 17 -1.729 -1.229 -9.749 1.00 0.50 H new ATOM 0 H3' DA B 17 -3.817 -2.842 -10.507 1.00 0.48 H new ATOM 0 H2' DA B 17 -4.965 -3.057 -8.427 1.00 0.39 H new ATOM 0 H2'' DA B 17 -3.838 -4.393 -8.297 1.00 0.39 H new ATOM 0 H1' DA B 17 -2.326 -3.192 -6.965 1.00 0.33 H new ATOM 0 H8 DA B 17 -5.983 -2.031 -7.036 1.00 0.24 H new ATOM 0 H61 DA B 17 -5.187 -1.138 -0.963 1.00 0.29 H new ATOM 0 H62 DA B 17 -6.329 -1.008 -2.305 1.00 0.29 H new ATOM 0 H2 DA B 17 -1.300 -2.380 -2.736 1.00 0.20 H new ATOM 636 P DT B 18 -2.204 -5.239 -10.455 1.00 0.53 P ATOM 637 OP1 DT B 18 -1.263 -5.471 -11.575 1.00 0.49 O ATOM 638 OP2 DT B 18 -3.639 -5.496 -10.747 1.00 0.60 O ATOM 639 O5' DT B 18 -1.702 -6.134 -9.045 1.00 0.53 O ATOM 640 C5' DT B 18 -0.334 -5.922 -8.543 1.00 0.47 C ATOM 641 C4' DT B 18 -0.198 -6.442 -7.091 1.00 0.42 C ATOM 642 O4' DT B 18 -1.204 -5.784 -6.230 1.00 0.37 O ATOM 643 C3' DT B 18 -0.502 -7.926 -7.040 1.00 0.39 C ATOM 644 O3' DT B 18 0.619 -8.641 -6.479 1.00 0.43 O ATOM 645 C2' DT B 18 -1.749 -8.129 -6.112 1.00 0.32 C ATOM 646 C1' DT B 18 -1.789 -6.783 -5.335 1.00 0.30 C ATOM 647 N1 DT B 18 -3.195 -6.308 -5.064 1.00 0.25 N ATOM 648 C2 DT B 18 -3.558 -6.096 -3.761 1.00 0.16 C ATOM 649 O2 DT B 18 -2.815 -6.402 -2.857 1.00 0.13 O ATOM 650 N3 DT B 18 -4.793 -5.564 -3.529 1.00 0.15 N ATOM 651 C4 DT B 18 -5.725 -5.222 -4.476 1.00 0.20 C ATOM 652 O4 DT B 18 -6.790 -4.732 -4.159 1.00 0.19 O ATOM 653 C5 DT B 18 -5.308 -5.479 -5.833 1.00 0.29 C ATOM 654 C7 DT B 18 -6.311 -5.120 -6.916 1.00 0.35 C ATOM 655 C6 DT B 18 -4.077 -6.004 -6.093 1.00 0.31 C ATOM 0 H5' DT B 18 -0.088 -4.861 -8.579 1.00 0.47 H new ATOM 0 H5'' DT B 18 0.379 -6.436 -9.187 1.00 0.47 H new ATOM 0 H4' DT B 18 0.817 -6.234 -6.754 1.00 0.42 H new ATOM 0 H3' DT B 18 -0.695 -8.302 -8.045 1.00 0.39 H new ATOM 0 H2' DT B 18 -2.661 -8.298 -6.684 1.00 0.32 H new ATOM 0 H2'' DT B 18 -1.628 -8.983 -5.445 1.00 0.32 H new ATOM 0 H1' DT B 18 -1.272 -6.917 -4.385 1.00 0.30 H new ATOM 0 H3 DT B 18 -5.049 -5.405 -2.555 1.00 0.15 H new ATOM 0 H71 DT B 18 -5.780 -4.840 -7.826 1.00 0.35 H new ATOM 0 H72 DT B 18 -6.950 -5.979 -7.119 1.00 0.35 H new ATOM 0 H73 DT B 18 -6.924 -4.283 -6.581 1.00 0.35 H new ATOM 0 H6 DT B 18 -3.783 -6.187 -7.116 1.00 0.31 H new ATOM 668 P DC B 19 0.499 -10.377 -6.274 1.00 0.42 P ATOM 669 OP1 DC B 19 1.845 -10.985 -6.286 1.00 0.44 O ATOM 670 OP2 DC B 19 -0.480 -10.926 -7.240 1.00 0.41 O ATOM 671 O5' DC B 19 -0.180 -10.433 -4.675 1.00 0.51 O ATOM 672 C5' DC B 19 0.739 -10.557 -3.542 1.00 0.36 C ATOM 673 C4' DC B 19 0.007 -11.109 -2.311 1.00 0.33 C ATOM 674 O4' DC B 19 -1.203 -10.315 -2.078 1.00 0.28 O ATOM 675 C3' DC B 19 -0.433 -12.540 -2.544 1.00 0.38 C ATOM 676 O3' DC B 19 -0.005 -13.319 -1.415 1.00 0.39 O ATOM 677 C2' DC B 19 -1.949 -12.557 -2.642 1.00 0.36 C ATOM 678 C1' DC B 19 -2.321 -11.216 -1.850 1.00 0.29 C ATOM 679 N1 DC B 19 -3.504 -10.474 -2.369 1.00 0.24 N ATOM 680 C2 DC B 19 -4.466 -10.043 -1.454 1.00 0.21 C ATOM 681 O2 DC B 19 -4.467 -10.468 -0.292 1.00 0.25 O ATOM 682 N3 DC B 19 -5.431 -9.187 -1.885 1.00 0.17 N ATOM 683 C4 DC B 19 -5.482 -8.762 -3.148 1.00 0.13 C ATOM 684 N4 DC B 19 -6.428 -7.888 -3.506 1.00 0.10 N ATOM 685 C5 DC B 19 -4.536 -9.208 -4.114 1.00 0.17 C ATOM 686 C6 DC B 19 -3.553 -10.062 -3.685 1.00 0.22 C ATOM 0 H5' DC B 19 1.171 -9.584 -3.309 1.00 0.36 H new ATOM 0 H5'' DC B 19 1.565 -11.217 -3.807 1.00 0.36 H new ATOM 0 H4' DC B 19 0.688 -11.063 -1.461 1.00 0.33 H new ATOM 0 H3' DC B 19 -0.005 -12.949 -3.459 1.00 0.38 H new ATOM 0 H2' DC B 19 -2.296 -12.535 -3.675 1.00 0.36 H new ATOM 0 H2'' DC B 19 -2.382 -13.443 -2.179 1.00 0.36 H new ATOM 0 H1' DC B 19 -2.534 -11.505 -0.821 1.00 0.29 H new ATOM 0 H41 DC B 19 -6.477 -7.556 -4.469 1.00 0.10 H new ATOM 0 H42 DC B 19 -7.101 -7.554 -2.816 1.00 0.10 H new ATOM 0 H5 DC B 19 -4.591 -8.886 -5.144 1.00 0.17 H new ATOM 0 H6 DC B 19 -2.810 -10.416 -4.384 1.00 0.22 H new ATOM 698 P DA B 20 1.490 -14.197 -1.498 1.00 0.41 P ATOM 699 OP1 DA B 20 2.377 -13.817 -0.371 1.00 0.42 O ATOM 700 OP2 DA B 20 2.077 -14.087 -2.858 1.00 0.42 O ATOM 701 O5' DA B 20 0.869 -15.788 -1.250 1.00 0.40 O ATOM 702 C5' DA B 20 0.603 -16.210 0.124 1.00 0.44 C ATOM 703 C4' DA B 20 -0.561 -17.156 0.146 1.00 0.43 C ATOM 704 O4' DA B 20 -1.720 -16.498 -0.446 1.00 0.39 O ATOM 705 C3' DA B 20 -0.213 -18.296 -0.716 1.00 0.42 C ATOM 706 O3' DA B 20 -0.817 -19.463 -0.235 1.00 0.44 O ATOM 707 C2' DA B 20 -0.824 -17.957 -2.148 1.00 0.41 C ATOM 708 C1' DA B 20 -2.102 -17.193 -1.655 1.00 0.40 C ATOM 709 N9 DA B 20 -2.653 -16.138 -2.574 1.00 0.39 N ATOM 710 C8 DA B 20 -2.454 -15.848 -3.913 1.00 0.41 C ATOM 711 N7 DA B 20 -3.248 -14.941 -4.363 1.00 0.40 N ATOM 712 C5 DA B 20 -4.017 -14.583 -3.267 1.00 0.38 C ATOM 713 C6 DA B 20 -5.114 -13.701 -3.125 1.00 0.38 C ATOM 714 N6 DA B 20 -5.638 -12.983 -4.130 1.00 0.40 N ATOM 715 N1 DA B 20 -5.700 -13.625 -1.924 1.00 0.38 N ATOM 716 C2 DA B 20 -5.250 -14.371 -0.931 1.00 0.36 C ATOM 717 N3 DA B 20 -4.249 -15.232 -0.919 1.00 0.36 N ATOM 718 C4 DA B 20 -3.662 -15.284 -2.157 1.00 0.37 C ATOM 0 H5' DA B 20 0.390 -15.341 0.747 1.00 0.44 H new ATOM 0 H5'' DA B 20 1.485 -16.694 0.543 1.00 0.44 H new ATOM 0 H4' DA B 20 -0.782 -17.467 1.167 1.00 0.43 H new ATOM 0 H3' DA B 20 0.865 -18.454 -0.748 1.00 0.42 H new ATOM 0 H2' DA B 20 -0.165 -17.338 -2.757 1.00 0.41 H new ATOM 0 H2'' DA B 20 -1.058 -18.846 -2.734 1.00 0.41 H new ATOM 0 HO3' DA B 20 -0.581 -20.216 -0.816 1.00 0.44 H new ATOM 0 H1' DA B 20 -2.879 -17.951 -1.558 1.00 0.40 H new ATOM 0 H8 DA B 20 -1.706 -16.335 -4.520 1.00 0.41 H new ATOM 0 H61 DA B 20 -6.431 -12.365 -3.956 1.00 0.40 H new ATOM 0 H62 DA B 20 -5.243 -13.055 -5.068 1.00 0.40 H new ATOM 0 H2 DA B 20 -5.776 -14.261 0.006 1.00 0.36 H new TER 731 DA B 20 CONECT 1 13 51 67 74 CONECT 2 3 50 75 76 CONECT 3 2 4 77 78 CONECT 4 3 55 79 80 CONECT 5 6 55 69 CONECT 6 5 7 56 CONECT 7 6 8 81 CONECT 8 7 9 15 CONECT 9 8 10 56 CONECT 10 9 11 82 CONECT 11 10 14 83 CONECT 12 51 54 62 CONECT 13 1 24 84 85 CONECT 14 11 15 57 CONECT 15 8 14 16 CONECT 16 15 17 86 87 CONECT 17 16 57 88 89 CONECT 18 19 57 70 CONECT 19 18 20 58 CONECT 20 19 21 90 CONECT 21 20 22 27 CONECT 22 21 23 58 CONECT 23 22 25 91 CONECT 24 13 36 64 92 CONECT 25 23 26 93 CONECT 26 25 27 59 CONECT 27 21 26 28 CONECT 28 27 29 94 95 CONECT 29 28 59 96 97 CONECT 30 31 59 71 CONECT 31 30 32 60 CONECT 32 31 33 98 CONECT 33 32 34 40 CONECT 34 33 37 60 CONECT 35 44 54 66 CONECT 36 24 45 67 99 CONECT 37 34 38 100 CONECT 38 37 39 101 CONECT 39 38 40 52 CONECT 40 33 39 41 CONECT 41 40 42 102 103 CONECT 42 41 52 104 105 CONECT 43 52 53 72 CONECT 44 35 46 47 CONECT 45 36 68 106 107 CONECT 46 44 108 109 110 CONECT 47 44 51 111 CONECT 48 49 65 112 113 CONECT 49 48 50 114 115 CONECT 50 2 49 116 117 CONECT 51 1 12 47 CONECT 52 39 42 43 CONECT 53 43 118 119 CONECT 54 12 35 120 CONECT 55 4 5 121 CONECT 56 6 9 122 CONECT 57 14 17 18 CONECT 58 19 22 123 CONECT 59 26 29 30 CONECT 60 31 34 124 CONECT 61 73 CONECT 62 12 CONECT 63 73 CONECT 64 24 125 CONECT 65 48 73 CONECT 66 35 CONECT 67 1 36 CONECT 68 45 73 CONECT 69 5 CONECT 70 18 CONECT 71 30 CONECT 72 43 CONECT 73 61 63 65 68 CONECT 74 1 CONECT 75 2 CONECT 76 2 CONECT 77 3 CONECT 78 3 CONECT 79 4 CONECT 80 4 CONECT 81 7 CONECT 82 10 CONECT 83 11 CONECT 84 13 CONECT 85 13 CONECT 86 16 CONECT 87 16 CONECT 88 17 CONECT 89 17 CONECT 90 20 CONECT 91 23 CONECT 92 24 CONECT 93 25 CONECT 94 28 CONECT 95 28 CONECT 96 29 CONECT 97 29 CONECT 98 32 CONECT 99 36 CONECT 100 37 CONECT 101 38 CONECT 102 41 CONECT 103 41 CONECT 104 42 CONECT 105 42 CONECT 106 45 CONECT 107 45 CONECT 108 46 CONECT 109 46 CONECT 110 46 CONECT 111 47 CONECT 112 48 CONECT 113 48 CONECT 114 49 CONECT 115 49 CONECT 116 50 CONECT 117 50 CONECT 118 53 CONECT 119 53 CONECT 120 54 CONECT 121 55 CONECT 122 56 CONECT 123 58 CONECT 124 60 CONECT 125 64 END