USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 198 hydrogens (20 hets) HEADER RNA 24-SEP-02 1MV1 TITLE THE TANDEM, SHEARED PA PAIRS IN 5'(RGGCPAGCCU)2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*GP*CP*(P5P)P*AP*GP*CP*CP*U)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS RIBONUCLEIC ACID, DUPLEX, TANDEM MISMATCH, PURINE, RNA EXPDTA SOLUTION NMR AUTHOR B.M.ZNOSKO,M.E.BURKARD,T.R.KRUGH,D.H.TURNER REVDAT 2 24-FEB-09 1MV1 1 VERSN REVDAT 1 18-DEC-02 1MV1 0 JRNL AUTH B.M.ZNOSKO,M.E.BURKARD,T.R.KRUGH,D.H.TURNER JRNL TITL MOLECULAR RECOGNITION IN PURINE-RICH INTERNAL JRNL TITL 2 LOOPS: THERMODYNAMIC, STRUCTURAL, AND DYNAMIC JRNL TITL 3 CONSEQUENCES OF PURINE FOR ADENINE SUBSTITUTIONS JRNL TITL 4 IN 5'(RGGCAAGCCU)2 JRNL REF BIOCHEMISTRY V. 41 14978 2002 JRNL REFN ISSN 0006-2960 JRNL PMID 12475247 JRNL DOI 10.1021/BI0203278 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.M.ZNOSKO,M.E.BURKARD,S.J.SCHROEDER,T.R.KRUGH, REMARK 1 AUTH 2 D.H.TURNER REMARK 1 TITL SHEARED AANTI-AANTI BASE PAIRS IN A DESTABILIZING REMARK 1 TITL 2 2X2 INTERNAL LOOP: THE NMR STRUCTURE OF REMARK 1 TITL 3 5'(RGGCAAGCCU)2 REMARK 1 REF BIOCHEMISTRY V. 41 14969 2002 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI020326F REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 95.0 REMARK 3 AUTHORS : MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON A TOTAL OF REMARK 3 86 INTERPROTON DISTANCE RESTRAINTS PER STRAND, 18 HYDROGEN REMARK 3 BOND RESTRAINTS, AND 46 DIHEDRAL ANGLE RESTRAINTS PER STRAND. REMARK 4 REMARK 4 1MV1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-OCT-02. REMARK 100 THE RCSB ID CODE IS RCSB017205. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 273; 303 REMARK 210 PH : 6.5; 7.7 REMARK 210 IONIC STRENGTH : 90% H2O, 10% D2O; 99.996% D2O REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM RNA, 80 MM NACL, 10MM REMARK 210 PHOSPHATE BUFFER, 0.5MM EDTA; REMARK 210 90% H2O, 10% D2O; 2MM RNA, 80 REMARK 210 MM NACL, 10MM PHOSPHATE REMARK 210 BUFFER, 0.5MM EDTA; 99.996% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 5.2, FELIX 2000, REMARK 210 DISCOVER 95.0 REMARK 210 METHOD USED : SIMULATED ANNEALING, ENERGY REMARK 210 MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 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 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES REMARK 500 C A 7 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 C A 8 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES REMARK 500 C B 3 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 C B 7 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 C B 8 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES REMARK 500 U B 9 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1YFV RELATED DB: PDB REMARK 900 TANDEM, SHEARED GA PAIRS IN THE SAME STEM, DETERMINED BY 2D REMARK 900 NMR REMARK 900 RELATED ID: 1GID RELATED DB: PDB REMARK 900 TANDEM, SHEARED AA PAIRS IN THE J4/5 LOOP OF TETRAHYMENA REMARK 900 THERMOPHILA, DETERMINED BY X-RAY CRYSTALLOGRAPHY REMARK 900 RELATED ID: 1MUV RELATED DB: PDB REMARK 900 1MUV IS THE TANDEM, SHEARED AA PAIRS WITH SAME STEM REMARK 900 RELATED ID: 1MV2 RELATED DB: PDB REMARK 900 1MV2 IS THE TANDEM, FACE-TO-FACE AP PAIRS IN 5'(RGGCAPGCCU)2 REMARK 900 RELATED ID: 1MV6 RELATED DB: PDB REMARK 900 1MV6 IS THE TANDEM, SHEARED PP PAIRS IN 5'(RGGCPPGCCU)2 DBREF 1MV1 A 1 9 PDB 1MV1 1MV1 1 9 DBREF 1MV1 B 1 9 PDB 1MV1 1MV1 1 9 SEQRES 1 A 9 G G C P5P A G C C U SEQRES 1 B 9 G G C P5P A G C C U MODRES 1MV1 P5P A 4 A PURINE RIBOSIDE-5'-MONOPHOSPHATE MODRES 1MV1 P5P B 4 A PURINE RIBOSIDE-5'-MONOPHOSPHATE HET P5P A 4 31 HET P5P B 4 31 HETNAM P5P PURINE RIBOSIDE-5'-MONOPHOSPHATE FORMUL 1 P5P 2(C10 H13 N4 O7 P) LINK O3' C A 3 P P5P A 4 1555 1555 1.61 LINK O3' P5P A 4 P A A 5 1555 1555 1.62 LINK O3' C B 3 P P5P B 4 1555 1555 1.61 LINK O3' P5P B 4 P A B 5 1555 1555 1.62 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 G O2' : rot -28:sc= 0.036 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -19:sc= 0.0561 USER MOD Single : A 3 C O2' : rot -30:sc= 0.103 USER MOD Single : A 4 P5P O2' : rot -20:sc= 0 USER MOD Single : A 5 A O2' : rot -31:sc= 0.083 USER MOD Single : A 6 G O2' : rot -21:sc= 0.0497 USER MOD Single : A 7 C O2' : rot -24:sc= 0.0445 USER MOD Single : A 8 C O2' : rot -29:sc= 0.0882 USER MOD Single : A 9 U O2' : rot -23:sc= 0.117 USER MOD Single : A 9 U O3' : rot 180:sc= 0.131 USER MOD Single : B 1 G O2' : rot -18:sc= 0.0329 USER MOD Single : B 1 G O5' : rot 180:sc= 0 USER MOD Single : B 2 G O2' : rot -15:sc= 0.0414 USER MOD Single : B 3 C O2' : rot -30:sc= 0.0985 USER MOD Single : B 4 P5P O2' : rot -20:sc= 0 USER MOD Single : B 5 A O2' : rot -19:sc= 0.0825 USER MOD Single : B 6 G O2' : rot 180:sc=-0.00218 USER MOD Single : B 7 C O2' : rot -18:sc= 0.0354 USER MOD Single : B 8 C O2' : rot -22:sc= 0.0635 USER MOD Single : B 9 U O2' : rot -24:sc= 0.124 USER MOD Single : B 9 U O3' : rot 180:sc= 0.131 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 10.490 -1.356 7.388 1.00 0.00 O ATOM 2 C5' G A 1 11.638 -0.527 7.390 1.00 0.00 C ATOM 3 C4' G A 1 11.295 0.961 7.227 1.00 0.00 C ATOM 4 O4' G A 1 10.772 1.251 5.937 1.00 0.00 O ATOM 5 C3' G A 1 10.269 1.491 8.230 1.00 0.00 C ATOM 6 O3' G A 1 10.836 1.747 9.506 1.00 0.00 O ATOM 7 C2' G A 1 9.812 2.752 7.501 1.00 0.00 C ATOM 8 O2' G A 1 10.766 3.795 7.594 1.00 0.00 O ATOM 9 C1' G A 1 9.763 2.251 6.056 1.00 0.00 C ATOM 10 N9 G A 1 8.435 1.667 5.743 1.00 0.00 N ATOM 11 C8 G A 1 8.097 0.351 5.541 1.00 0.00 C ATOM 12 N7 G A 1 6.832 0.153 5.302 1.00 0.00 N ATOM 13 C5 G A 1 6.279 1.432 5.342 1.00 0.00 C ATOM 14 C6 G A 1 4.926 1.869 5.155 1.00 0.00 C ATOM 15 O6 G A 1 3.931 1.197 4.893 1.00 0.00 O ATOM 16 N1 G A 1 4.783 3.245 5.288 1.00 0.00 N ATOM 17 C2 G A 1 5.826 4.109 5.523 1.00 0.00 C ATOM 18 N2 G A 1 5.532 5.401 5.591 1.00 0.00 N ATOM 19 N3 G A 1 7.098 3.720 5.691 1.00 0.00 N ATOM 20 C4 G A 1 7.260 2.367 5.596 1.00 0.00 C ATOM 0 H5' G A 1 12.303 -0.833 6.583 1.00 0.00 H new ATOM 0 H5'' G A 1 12.183 -0.670 8.323 1.00 0.00 H new ATOM 0 H4' G A 1 12.253 1.453 7.398 1.00 0.00 H new ATOM 0 H3' G A 1 9.462 0.800 8.475 1.00 0.00 H new ATOM 0 H2' G A 1 8.884 3.164 7.897 1.00 0.00 H new ATOM 0 HO2' G A 1 11.286 3.690 8.418 1.00 0.00 H new ATOM 0 HO5' G A 1 10.762 -2.292 7.493 1.00 0.00 H new ATOM 0 H1' G A 1 9.929 3.073 5.360 1.00 0.00 H new ATOM 0 H8 G A 1 8.819 -0.451 5.577 1.00 0.00 H new ATOM 0 H1 G A 1 3.845 3.638 5.206 1.00 0.00 H new ATOM 0 H21 G A 1 6.270 6.084 5.764 1.00 0.00 H new ATOM 0 H22 G A 1 4.568 5.712 5.471 1.00 0.00 H new ATOM 33 P G A 2 9.941 1.734 10.853 1.00 0.00 P ATOM 34 OP1 G A 2 10.841 1.974 12.003 1.00 0.00 O ATOM 35 OP2 G A 2 9.088 0.525 10.827 1.00 0.00 O ATOM 36 O5' G A 2 8.991 3.023 10.668 1.00 0.00 O ATOM 37 C5' G A 2 9.485 4.341 10.819 1.00 0.00 C ATOM 38 C4' G A 2 8.398 5.366 10.488 1.00 0.00 C ATOM 39 O4' G A 2 7.867 5.176 9.182 1.00 0.00 O ATOM 40 C3' G A 2 7.211 5.317 11.449 1.00 0.00 C ATOM 41 O3' G A 2 7.463 5.999 12.668 1.00 0.00 O ATOM 42 C2' G A 2 6.152 6.006 10.593 1.00 0.00 C ATOM 43 O2' G A 2 6.323 7.412 10.566 1.00 0.00 O ATOM 44 C1' G A 2 6.471 5.453 9.206 1.00 0.00 C ATOM 45 N9 G A 2 5.666 4.237 8.937 1.00 0.00 N ATOM 46 C8 G A 2 6.043 2.917 8.922 1.00 0.00 C ATOM 47 N7 G A 2 5.081 2.089 8.620 1.00 0.00 N ATOM 48 C5 G A 2 3.972 2.914 8.435 1.00 0.00 C ATOM 49 C6 G A 2 2.617 2.602 8.079 1.00 0.00 C ATOM 50 O6 G A 2 2.118 1.509 7.821 1.00 0.00 O ATOM 51 N1 G A 2 1.798 3.725 8.047 1.00 0.00 N ATOM 52 C2 G A 2 2.236 5.007 8.281 1.00 0.00 C ATOM 53 N2 G A 2 1.331 5.975 8.234 1.00 0.00 N ATOM 54 N3 G A 2 3.504 5.319 8.575 1.00 0.00 N ATOM 55 C4 G A 2 4.322 4.229 8.645 1.00 0.00 C ATOM 0 H5' G A 2 10.344 4.490 10.165 1.00 0.00 H new ATOM 0 H5'' G A 2 9.833 4.490 11.841 1.00 0.00 H new ATOM 0 H4' G A 2 8.904 6.328 10.572 1.00 0.00 H new ATOM 0 H3' G A 2 6.941 4.318 11.792 1.00 0.00 H new ATOM 0 H2' G A 2 5.139 5.829 10.956 1.00 0.00 H new ATOM 0 HO2' G A 2 6.877 7.689 11.326 1.00 0.00 H new ATOM 0 H1' G A 2 6.219 6.170 8.425 1.00 0.00 H new ATOM 0 H8 G A 2 7.049 2.592 9.141 1.00 0.00 H new ATOM 0 H1 G A 2 0.809 3.589 7.837 1.00 0.00 H new ATOM 0 H21 G A 2 1.609 6.942 8.401 1.00 0.00 H new ATOM 0 H22 G A 2 0.357 5.753 8.031 1.00 0.00 H new ATOM 67 P C A 3 6.641 5.664 14.021 1.00 0.00 P ATOM 68 OP1 C A 3 7.184 6.511 15.106 1.00 0.00 O ATOM 69 OP2 C A 3 6.604 4.194 14.185 1.00 0.00 O ATOM 70 O5' C A 3 5.148 6.165 13.675 1.00 0.00 O ATOM 71 C5' C A 3 4.796 7.537 13.659 1.00 0.00 C ATOM 72 C4' C A 3 3.357 7.722 13.164 1.00 0.00 C ATOM 73 O4' C A 3 3.134 7.103 11.901 1.00 0.00 O ATOM 74 C3' C A 3 2.314 7.141 14.115 1.00 0.00 C ATOM 75 O3' C A 3 2.016 8.009 15.197 1.00 0.00 O ATOM 76 C2' C A 3 1.132 7.007 13.161 1.00 0.00 C ATOM 77 O2' C A 3 0.491 8.254 12.958 1.00 0.00 O ATOM 78 C1' C A 3 1.806 6.585 11.857 1.00 0.00 C ATOM 79 N1 C A 3 1.753 5.101 11.690 1.00 0.00 N ATOM 80 C2 C A 3 0.550 4.532 11.249 1.00 0.00 C ATOM 81 O2 C A 3 -0.452 5.218 11.053 1.00 0.00 O ATOM 82 N3 C A 3 0.488 3.192 11.028 1.00 0.00 N ATOM 83 C4 C A 3 1.555 2.420 11.232 1.00 0.00 C ATOM 84 N4 C A 3 1.433 1.127 10.967 1.00 0.00 N ATOM 85 C5 C A 3 2.797 2.960 11.700 1.00 0.00 C ATOM 86 C6 C A 3 2.846 4.296 11.924 1.00 0.00 C ATOM 0 H5' C A 3 5.481 8.086 13.013 1.00 0.00 H new ATOM 0 H5'' C A 3 4.898 7.955 14.660 1.00 0.00 H new ATOM 0 H4' C A 3 3.243 8.804 13.096 1.00 0.00 H new ATOM 0 H3' C A 3 2.621 6.220 14.610 1.00 0.00 H new ATOM 0 H2' C A 3 0.372 6.319 13.531 1.00 0.00 H new ATOM 0 HO2' C A 3 0.591 8.808 13.760 1.00 0.00 H new ATOM 0 H1' C A 3 1.292 6.985 10.983 1.00 0.00 H new ATOM 0 H41 C A 3 2.225 0.500 11.109 1.00 0.00 H new ATOM 0 H42 C A 3 0.547 0.759 10.621 1.00 0.00 H new ATOM 0 H5 C A 3 3.658 2.329 11.867 1.00 0.00 H new ATOM 0 H6 C A 3 3.760 4.738 12.293 1.00 0.00 H new HETATM 98 N1 P5P A 4 -1.274 -0.245 13.221 1.00 0.00 N HETATM 99 C2 P5P A 4 -2.423 0.419 13.141 1.00 0.00 C HETATM 100 N3 P5P A 4 -2.675 1.696 13.445 1.00 0.00 N HETATM 101 C4 P5P A 4 -1.553 2.324 13.903 1.00 0.00 C HETATM 102 C5 P5P A 4 -0.305 1.764 14.044 1.00 0.00 C HETATM 103 C6 P5P A 4 -0.183 0.410 13.663 1.00 0.00 C HETATM 104 N7 P5P A 4 0.594 2.684 14.569 1.00 0.00 N HETATM 105 C8 P5P A 4 -0.128 3.759 14.719 1.00 0.00 C HETATM 106 N9 P5P A 4 -1.436 3.635 14.310 1.00 0.00 N HETATM 107 C1' P5P A 4 -2.513 4.659 14.274 1.00 0.00 C HETATM 108 C2' P5P A 4 -3.408 4.601 15.514 1.00 0.00 C HETATM 109 O2' P5P A 4 -4.703 5.063 15.162 1.00 0.00 O HETATM 110 C3' P5P A 4 -2.698 5.579 16.452 1.00 0.00 C HETATM 111 O3' P5P A 4 -3.521 6.124 17.475 1.00 0.00 O HETATM 112 C4' P5P A 4 -2.274 6.651 15.447 1.00 0.00 C HETATM 113 O4' P5P A 4 -1.958 5.970 14.237 1.00 0.00 O HETATM 114 C5' P5P A 4 -1.126 7.540 15.940 1.00 0.00 C HETATM 115 O5' P5P A 4 0.035 6.771 16.183 1.00 0.00 O HETATM 116 P P5P A 4 1.440 7.445 16.595 1.00 0.00 P HETATM 117 OP1 P5P A 4 1.163 8.603 17.472 1.00 0.00 O HETATM 118 OP2 P5P A 4 2.343 6.369 17.053 1.00 0.00 O HETATM 0 HO2' P5P A 4 -4.648 5.596 14.341 1.00 0.00 H new HETATM 0 H5'2 P5P A 4 -0.910 8.308 15.197 1.00 0.00 H new HETATM 0 H5'1 P5P A 4 -1.425 8.055 16.853 1.00 0.00 H new HETATM 0 H8 P5P A 4 0.273 4.683 15.136 1.00 0.00 H new HETATM 0 H6 P5P A 4 0.780 -0.098 13.726 1.00 0.00 H new HETATM 0 H4' P5P A 4 -3.091 7.357 15.295 1.00 0.00 H new HETATM 0 H3' P5P A 4 -1.898 5.114 17.027 1.00 0.00 H new HETATM 0 H2' P5P A 4 -3.543 3.612 15.953 1.00 0.00 H new HETATM 0 H2 P5P A 4 -3.275 -0.156 12.778 1.00 0.00 H new HETATM 0 H1' P5P A 4 -3.098 4.445 13.380 1.00 0.00 H new ATOM 129 P A A 5 -4.173 5.223 18.650 1.00 0.00 P ATOM 130 OP1 A A 5 -4.280 6.053 19.870 1.00 0.00 O ATOM 131 OP2 A A 5 -3.475 3.920 18.696 1.00 0.00 O ATOM 132 O5' A A 5 -5.659 4.984 18.062 1.00 0.00 O ATOM 133 C5' A A 5 -6.576 6.052 17.897 1.00 0.00 C ATOM 134 C4' A A 5 -7.924 5.547 17.370 1.00 0.00 C ATOM 135 O4' A A 5 -7.793 4.877 16.120 1.00 0.00 O ATOM 136 C3' A A 5 -8.620 4.564 18.312 1.00 0.00 C ATOM 137 O3' A A 5 -9.375 5.181 19.343 1.00 0.00 O ATOM 138 C2' A A 5 -9.532 3.832 17.334 1.00 0.00 C ATOM 139 O2' A A 5 -10.678 4.598 17.005 1.00 0.00 O ATOM 140 C1' A A 5 -8.622 3.716 16.114 1.00 0.00 C ATOM 141 N9 A A 5 -7.796 2.484 16.198 1.00 0.00 N ATOM 142 C8 A A 5 -6.439 2.373 16.364 1.00 0.00 C ATOM 143 N7 A A 5 -5.990 1.155 16.342 1.00 0.00 N ATOM 144 C5 A A 5 -7.130 0.388 16.158 1.00 0.00 C ATOM 145 C6 A A 5 -7.343 -1.000 16.022 1.00 0.00 C ATOM 146 N6 A A 5 -6.352 -1.887 16.035 1.00 0.00 N ATOM 147 N1 A A 5 -8.596 -1.456 15.843 1.00 0.00 N ATOM 148 C2 A A 5 -9.590 -0.570 15.795 1.00 0.00 C ATOM 149 N3 A A 5 -9.525 0.758 15.898 1.00 0.00 N ATOM 150 C4 A A 5 -8.243 1.185 16.077 1.00 0.00 C ATOM 0 H5' A A 5 -6.163 6.786 17.205 1.00 0.00 H new ATOM 0 H5'' A A 5 -6.722 6.560 18.850 1.00 0.00 H new ATOM 0 H4' A A 5 -8.521 6.454 17.275 1.00 0.00 H new ATOM 0 H3' A A 5 -7.917 3.942 18.865 1.00 0.00 H new ATOM 0 H2' A A 5 -9.917 2.889 17.723 1.00 0.00 H new ATOM 0 HO2' A A 5 -10.926 5.160 17.769 1.00 0.00 H new ATOM 0 H1' A A 5 -9.201 3.651 15.193 1.00 0.00 H new ATOM 0 H8 A A 5 -5.796 3.230 16.502 1.00 0.00 H new ATOM 0 H61 A A 5 -6.556 -2.881 15.933 1.00 0.00 H new ATOM 0 H62 A A 5 -5.388 -1.573 16.147 1.00 0.00 H new ATOM 0 H2 A A 5 -10.579 -0.982 15.654 1.00 0.00 H new ATOM 162 P G A 6 -9.046 4.914 20.903 1.00 0.00 P ATOM 163 OP1 G A 6 -10.108 5.545 21.716 1.00 0.00 O ATOM 164 OP2 G A 6 -7.627 5.254 21.143 1.00 0.00 O ATOM 165 O5' G A 6 -9.203 3.311 21.005 1.00 0.00 O ATOM 166 C5' G A 6 -10.438 2.661 20.768 1.00 0.00 C ATOM 167 C4' G A 6 -10.199 1.195 20.393 1.00 0.00 C ATOM 168 O4' G A 6 -9.328 1.088 19.274 1.00 0.00 O ATOM 169 C3' G A 6 -9.567 0.352 21.500 1.00 0.00 C ATOM 170 O3' G A 6 -10.508 -0.097 22.464 1.00 0.00 O ATOM 171 C2' G A 6 -8.998 -0.792 20.663 1.00 0.00 C ATOM 172 O2' G A 6 -10.007 -1.698 20.250 1.00 0.00 O ATOM 173 C1' G A 6 -8.485 -0.046 19.434 1.00 0.00 C ATOM 174 N9 G A 6 -7.068 0.353 19.624 1.00 0.00 N ATOM 175 C8 G A 6 -6.543 1.575 19.960 1.00 0.00 C ATOM 176 N7 G A 6 -5.250 1.583 20.112 1.00 0.00 N ATOM 177 C5 G A 6 -4.876 0.267 19.857 1.00 0.00 C ATOM 178 C6 G A 6 -3.586 -0.359 19.886 1.00 0.00 C ATOM 179 O6 G A 6 -2.492 0.144 20.129 1.00 0.00 O ATOM 180 N1 G A 6 -3.642 -1.717 19.601 1.00 0.00 N ATOM 181 C2 G A 6 -4.801 -2.397 19.309 1.00 0.00 C ATOM 182 N2 G A 6 -4.690 -3.698 19.072 1.00 0.00 N ATOM 183 N3 G A 6 -6.014 -1.830 19.286 1.00 0.00 N ATOM 184 C4 G A 6 -5.986 -0.494 19.562 1.00 0.00 C ATOM 0 H5' G A 6 -10.976 3.166 19.966 1.00 0.00 H new ATOM 0 H5'' G A 6 -11.065 2.719 21.658 1.00 0.00 H new ATOM 0 H4' G A 6 -11.199 0.816 20.183 1.00 0.00 H new ATOM 0 H3' G A 6 -8.839 0.883 22.114 1.00 0.00 H new ATOM 0 H2' G A 6 -8.259 -1.383 21.205 1.00 0.00 H new ATOM 0 HO2' G A 6 -10.787 -1.609 20.837 1.00 0.00 H new ATOM 0 H1' G A 6 -8.513 -0.673 18.543 1.00 0.00 H new ATOM 0 H8 G A 6 -7.152 2.458 20.088 1.00 0.00 H new ATOM 0 H1 G A 6 -2.768 -2.243 19.609 1.00 0.00 H new ATOM 0 H21 G A 6 -5.520 -4.249 18.851 1.00 0.00 H new ATOM 0 H22 G A 6 -3.775 -4.147 19.111 1.00 0.00 H new ATOM 196 P C A 7 -10.062 -0.505 23.965 1.00 0.00 P ATOM 197 OP1 C A 7 -11.274 -0.916 24.707 1.00 0.00 O ATOM 198 OP2 C A 7 -9.204 0.575 24.501 1.00 0.00 O ATOM 199 O5' C A 7 -9.135 -1.807 23.741 1.00 0.00 O ATOM 200 C5' C A 7 -9.679 -3.070 23.404 1.00 0.00 C ATOM 201 C4' C A 7 -8.565 -4.089 23.138 1.00 0.00 C ATOM 202 O4' C A 7 -7.668 -3.665 22.116 1.00 0.00 O ATOM 203 C3' C A 7 -7.698 -4.371 24.363 1.00 0.00 C ATOM 204 O3' C A 7 -8.319 -5.245 25.294 1.00 0.00 O ATOM 205 C2' C A 7 -6.484 -4.991 23.678 1.00 0.00 C ATOM 206 O2' C A 7 -6.725 -6.328 23.276 1.00 0.00 O ATOM 207 C1' C A 7 -6.353 -4.122 22.427 1.00 0.00 C ATOM 208 N1 C A 7 -5.382 -3.008 22.657 1.00 0.00 N ATOM 209 C2 C A 7 -4.013 -3.311 22.623 1.00 0.00 C ATOM 210 O2 C A 7 -3.615 -4.454 22.409 1.00 0.00 O ATOM 211 N3 C A 7 -3.104 -2.322 22.839 1.00 0.00 N ATOM 212 C4 C A 7 -3.505 -1.073 23.082 1.00 0.00 C ATOM 213 N4 C A 7 -2.573 -0.149 23.263 1.00 0.00 N ATOM 214 C5 C A 7 -4.894 -0.726 23.137 1.00 0.00 C ATOM 215 C6 C A 7 -5.792 -1.720 22.923 1.00 0.00 C ATOM 0 H5' C A 7 -10.310 -2.975 22.520 1.00 0.00 H new ATOM 0 H5'' C A 7 -10.316 -3.424 24.214 1.00 0.00 H new ATOM 0 H4' C A 7 -9.108 -4.986 22.840 1.00 0.00 H new ATOM 0 H3' C A 7 -7.480 -3.501 24.982 1.00 0.00 H new ATOM 0 H2' C A 7 -5.609 -5.022 24.327 1.00 0.00 H new ATOM 0 HO2' C A 7 -7.442 -6.710 23.823 1.00 0.00 H new ATOM 0 H1' C A 7 -5.951 -4.679 21.581 1.00 0.00 H new ATOM 0 H41 C A 7 -2.842 0.817 23.451 1.00 0.00 H new ATOM 0 H42 C A 7 -1.586 -0.403 23.214 1.00 0.00 H new ATOM 0 H5 C A 7 -5.213 0.286 23.341 1.00 0.00 H new ATOM 0 H6 C A 7 -6.848 -1.497 22.962 1.00 0.00 H new ATOM 227 P C A 8 -7.874 -5.294 26.850 1.00 0.00 P ATOM 228 OP1 C A 8 -8.776 -6.231 27.555 1.00 0.00 O ATOM 229 OP2 C A 8 -7.731 -3.905 27.337 1.00 0.00 O ATOM 230 O5' C A 8 -6.402 -5.952 26.790 1.00 0.00 O ATOM 231 C5' C A 8 -6.204 -7.334 26.552 1.00 0.00 C ATOM 232 C4' C A 8 -4.714 -7.644 26.380 1.00 0.00 C ATOM 233 O4' C A 8 -4.123 -6.863 25.347 1.00 0.00 O ATOM 234 C3' C A 8 -3.882 -7.374 27.633 1.00 0.00 C ATOM 235 O3' C A 8 -3.959 -8.404 28.605 1.00 0.00 O ATOM 236 C2' C A 8 -2.493 -7.294 27.010 1.00 0.00 C ATOM 237 O2' C A 8 -1.977 -8.580 26.715 1.00 0.00 O ATOM 238 C1' C A 8 -2.772 -6.568 25.696 1.00 0.00 C ATOM 239 N1 C A 8 -2.502 -5.106 25.843 1.00 0.00 N ATOM 240 C2 C A 8 -1.168 -4.682 25.808 1.00 0.00 C ATOM 241 O2 C A 8 -0.239 -5.482 25.711 1.00 0.00 O ATOM 242 N3 C A 8 -0.888 -3.356 25.898 1.00 0.00 N ATOM 243 C4 C A 8 -1.868 -2.464 26.036 1.00 0.00 C ATOM 244 N4 C A 8 -1.522 -1.188 26.108 1.00 0.00 N ATOM 245 C5 C A 8 -3.240 -2.863 26.149 1.00 0.00 C ATOM 246 C6 C A 8 -3.508 -4.189 26.053 1.00 0.00 C ATOM 0 H5' C A 8 -6.749 -7.636 25.658 1.00 0.00 H new ATOM 0 H5'' C A 8 -6.608 -7.913 27.383 1.00 0.00 H new ATOM 0 H4' C A 8 -4.699 -8.708 26.143 1.00 0.00 H new ATOM 0 H3' C A 8 -4.204 -6.497 28.194 1.00 0.00 H new ATOM 0 H2' C A 8 -1.768 -6.812 27.666 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.352 -9.234 27.341 1.00 0.00 H new ATOM 0 H1' C A 8 -2.115 -6.901 24.892 1.00 0.00 H new ATOM 0 H41 C A 8 -2.239 -0.470 26.214 1.00 0.00 H new ATOM 0 H42 C A 8 -0.538 -0.923 26.058 1.00 0.00 H new ATOM 0 H5 C A 8 -4.026 -2.139 26.304 1.00 0.00 H new ATOM 0 H6 C A 8 -4.528 -4.532 26.143 1.00 0.00 H new ATOM 258 P U A 9 -3.668 -8.114 30.170 1.00 0.00 P ATOM 259 OP1 U A 9 -3.709 -9.405 30.891 1.00 0.00 O ATOM 260 OP2 U A 9 -4.550 -7.006 30.598 1.00 0.00 O ATOM 261 O5' U A 9 -2.147 -7.566 30.185 1.00 0.00 O ATOM 262 C5' U A 9 -1.025 -8.425 30.065 1.00 0.00 C ATOM 263 C4' U A 9 0.276 -7.612 30.034 1.00 0.00 C ATOM 264 O4' U A 9 0.296 -6.682 28.960 1.00 0.00 O ATOM 265 C3' U A 9 0.513 -6.787 31.298 1.00 0.00 C ATOM 266 O3' U A 9 1.050 -7.537 32.367 1.00 0.00 O ATOM 267 C2' U A 9 1.520 -5.760 30.786 1.00 0.00 C ATOM 268 O2' U A 9 2.841 -6.282 30.757 1.00 0.00 O ATOM 269 C1' U A 9 1.033 -5.527 29.350 1.00 0.00 C ATOM 270 N1 U A 9 0.219 -4.279 29.276 1.00 0.00 N ATOM 271 C2 U A 9 0.910 -3.065 29.198 1.00 0.00 C ATOM 272 O2 U A 9 2.138 -2.995 29.176 1.00 0.00 O ATOM 273 N3 U A 9 0.145 -1.908 29.171 1.00 0.00 N ATOM 274 C4 U A 9 -1.234 -1.851 29.289 1.00 0.00 C ATOM 275 O4 U A 9 -1.810 -0.768 29.294 1.00 0.00 O ATOM 276 C5 U A 9 -1.876 -3.146 29.401 1.00 0.00 C ATOM 277 C6 U A 9 -1.156 -4.296 29.390 1.00 0.00 C ATOM 0 H5' U A 9 -1.111 -9.019 29.155 1.00 0.00 H new ATOM 0 H5'' U A 9 -1.004 -9.124 30.901 1.00 0.00 H new ATOM 0 H4' U A 9 1.051 -8.371 29.929 1.00 0.00 H new ATOM 0 H3' U A 9 -0.404 -6.374 31.718 1.00 0.00 H new ATOM 0 H2' U A 9 1.567 -4.868 31.410 1.00 0.00 H new ATOM 0 HO2' U A 9 2.913 -7.024 31.393 1.00 0.00 H new ATOM 0 HO3' U A 9 1.180 -6.953 33.143 1.00 0.00 H new ATOM 0 H1' U A 9 1.868 -5.386 28.664 1.00 0.00 H new ATOM 0 H3 U A 9 0.640 -1.024 29.054 1.00 0.00 H new ATOM 0 H5 U A 9 -2.951 -3.196 29.495 1.00 0.00 H new ATOM 0 H6 U A 9 -1.669 -5.243 29.472 1.00 0.00 H new TER 289 U A 9 ATOM 290 O5' G B 1 8.441 0.892 25.199 1.00 0.00 O ATOM 291 C5' G B 1 9.492 -0.020 25.461 1.00 0.00 C ATOM 292 C4' G B 1 9.012 -1.476 25.562 1.00 0.00 C ATOM 293 O4' G B 1 8.219 -1.703 26.721 1.00 0.00 O ATOM 294 C3' G B 1 8.180 -1.951 24.369 1.00 0.00 C ATOM 295 O3' G B 1 8.980 -2.311 23.255 1.00 0.00 O ATOM 296 C2' G B 1 7.451 -3.135 24.998 1.00 0.00 C ATOM 297 O2' G B 1 8.289 -4.270 25.121 1.00 0.00 O ATOM 298 C1' G B 1 7.151 -2.589 26.396 1.00 0.00 C ATOM 299 N9 G B 1 5.858 -1.860 26.417 1.00 0.00 N ATOM 300 C8 G B 1 5.628 -0.512 26.537 1.00 0.00 C ATOM 301 N7 G B 1 4.369 -0.177 26.496 1.00 0.00 N ATOM 302 C5 G B 1 3.704 -1.391 26.339 1.00 0.00 C ATOM 303 C6 G B 1 2.304 -1.679 26.230 1.00 0.00 C ATOM 304 O6 G B 1 1.354 -0.900 26.268 1.00 0.00 O ATOM 305 N1 G B 1 2.045 -3.036 26.073 1.00 0.00 N ATOM 306 C2 G B 1 3.015 -4.010 26.073 1.00 0.00 C ATOM 307 N2 G B 1 2.604 -5.265 25.949 1.00 0.00 N ATOM 308 N3 G B 1 4.327 -3.761 26.183 1.00 0.00 N ATOM 309 C4 G B 1 4.610 -2.430 26.307 1.00 0.00 C ATOM 0 H5' G B 1 9.985 0.260 26.392 1.00 0.00 H new ATOM 0 H5'' G B 1 10.238 0.057 24.670 1.00 0.00 H new ATOM 0 H4' G B 1 9.944 -2.040 25.598 1.00 0.00 H new ATOM 0 H3' G B 1 7.519 -1.196 23.943 1.00 0.00 H new ATOM 0 H2' G B 1 6.589 -3.462 24.417 1.00 0.00 H new ATOM 0 HO2' G B 1 9.061 -4.173 24.525 1.00 0.00 H new ATOM 0 HO5' G B 1 8.802 1.801 25.147 1.00 0.00 H new ATOM 0 H1' G B 1 7.071 -3.402 27.118 1.00 0.00 H new ATOM 0 H8 G B 1 6.423 0.210 26.655 1.00 0.00 H new ATOM 0 H1 G B 1 1.075 -3.327 25.950 1.00 0.00 H new ATOM 0 H21 G B 1 3.283 -6.026 25.943 1.00 0.00 H new ATOM 0 H22 G B 1 1.609 -5.469 25.860 1.00 0.00 H new ATOM 322 P G B 2 8.412 -2.247 21.742 1.00 0.00 P ATOM 323 OP1 G B 2 9.511 -2.613 20.823 1.00 0.00 O ATOM 324 OP2 G B 2 7.708 -0.957 21.570 1.00 0.00 O ATOM 325 O5' G B 2 7.312 -3.426 21.722 1.00 0.00 O ATOM 326 C5' G B 2 7.685 -4.791 21.699 1.00 0.00 C ATOM 327 C4' G B 2 6.449 -5.689 21.792 1.00 0.00 C ATOM 328 O4' G B 2 5.670 -5.403 22.948 1.00 0.00 O ATOM 329 C3' G B 2 5.511 -5.549 20.594 1.00 0.00 C ATOM 330 O3' G B 2 5.949 -6.294 19.467 1.00 0.00 O ATOM 331 C2' G B 2 4.223 -6.097 21.202 1.00 0.00 C ATOM 332 O2' G B 2 4.231 -7.512 21.277 1.00 0.00 O ATOM 333 C1' G B 2 4.291 -5.537 22.621 1.00 0.00 C ATOM 334 N9 G B 2 3.581 -4.237 22.700 1.00 0.00 N ATOM 335 C8 G B 2 4.084 -2.963 22.793 1.00 0.00 C ATOM 336 N7 G B 2 3.173 -2.034 22.880 1.00 0.00 N ATOM 337 C5 G B 2 1.969 -2.735 22.825 1.00 0.00 C ATOM 338 C6 G B 2 0.609 -2.277 22.883 1.00 0.00 C ATOM 339 O6 G B 2 0.185 -1.133 23.029 1.00 0.00 O ATOM 340 N1 G B 2 -0.311 -3.310 22.739 1.00 0.00 N ATOM 341 C2 G B 2 0.030 -4.635 22.605 1.00 0.00 C ATOM 342 N2 G B 2 -0.961 -5.504 22.457 1.00 0.00 N ATOM 343 N3 G B 2 1.291 -5.083 22.591 1.00 0.00 N ATOM 344 C4 G B 2 2.215 -4.084 22.696 1.00 0.00 C ATOM 0 H5' G B 2 8.359 -5.003 22.529 1.00 0.00 H new ATOM 0 H5'' G B 2 8.231 -5.009 20.781 1.00 0.00 H new ATOM 0 H4' G B 2 6.856 -6.700 21.829 1.00 0.00 H new ATOM 0 H3' G B 2 5.430 -4.539 20.191 1.00 0.00 H new ATOM 0 H2' G B 2 3.339 -5.827 20.625 1.00 0.00 H new ATOM 0 HO2' G B 2 4.947 -7.866 20.709 1.00 0.00 H new ATOM 0 H1' G B 2 3.801 -6.202 23.332 1.00 0.00 H new ATOM 0 H8 G B 2 5.143 -2.749 22.794 1.00 0.00 H new ATOM 0 H1 G B 2 -1.302 -3.069 22.732 1.00 0.00 H new ATOM 0 H21 G B 2 -0.757 -6.498 22.354 1.00 0.00 H new ATOM 0 H22 G B 2 -1.928 -5.178 22.446 1.00 0.00 H new ATOM 356 P C B 3 5.487 -5.918 17.963 1.00 0.00 P ATOM 357 OP1 C B 3 6.156 -6.855 17.033 1.00 0.00 O ATOM 358 OP2 C B 3 5.653 -4.459 17.782 1.00 0.00 O ATOM 359 O5' C B 3 3.908 -6.244 17.974 1.00 0.00 O ATOM 360 C5' C B 3 3.408 -7.567 17.919 1.00 0.00 C ATOM 361 C4' C B 3 1.883 -7.577 18.073 1.00 0.00 C ATOM 362 O4' C B 3 1.452 -6.911 19.256 1.00 0.00 O ATOM 363 C3' C B 3 1.158 -6.900 16.911 1.00 0.00 C ATOM 364 O3' C B 3 1.016 -7.749 15.784 1.00 0.00 O ATOM 365 C2' C B 3 -0.186 -6.612 17.570 1.00 0.00 C ATOM 366 O2' C B 3 -0.998 -7.772 17.610 1.00 0.00 O ATOM 367 C1' C B 3 0.216 -6.248 18.998 1.00 0.00 C ATOM 368 N1 C B 3 0.295 -4.765 19.166 1.00 0.00 N ATOM 369 C2 C B 3 -0.903 -4.060 19.340 1.00 0.00 C ATOM 370 O2 C B 3 -1.994 -4.627 19.313 1.00 0.00 O ATOM 371 N3 C B 3 -0.861 -2.717 19.546 1.00 0.00 N ATOM 372 C4 C B 3 0.304 -2.070 19.575 1.00 0.00 C ATOM 373 N4 C B 3 0.274 -0.767 19.812 1.00 0.00 N ATOM 374 C5 C B 3 1.549 -2.751 19.376 1.00 0.00 C ATOM 375 C6 C B 3 1.495 -4.089 19.164 1.00 0.00 C ATOM 0 H5' C B 3 3.862 -8.166 18.709 1.00 0.00 H new ATOM 0 H5'' C B 3 3.686 -8.027 16.971 1.00 0.00 H new ATOM 0 H4' C B 3 1.631 -8.637 18.108 1.00 0.00 H new ATOM 0 H3' C B 3 1.675 -6.031 16.505 1.00 0.00 H new ATOM 0 H2' C B 3 -0.755 -5.847 17.042 1.00 0.00 H new ATOM 0 HO2' C B 3 -0.782 -8.349 16.848 1.00 0.00 H new ATOM 0 H1' C B 3 -0.528 -6.575 19.725 1.00 0.00 H new ATOM 0 H41 C B 3 1.143 -0.234 19.843 1.00 0.00 H new ATOM 0 H42 C B 3 -0.618 -0.297 19.964 1.00 0.00 H new ATOM 0 H5 C B 3 2.490 -2.221 19.394 1.00 0.00 H new ATOM 0 H6 C B 3 2.410 -4.635 18.990 1.00 0.00 H new HETATM 387 N1 P5P B 4 -1.670 0.860 17.035 1.00 0.00 N HETATM 388 C2 P5P B 4 -2.876 0.329 16.851 1.00 0.00 C HETATM 389 N3 P5P B 4 -3.195 -0.916 16.485 1.00 0.00 N HETATM 390 C4 P5P B 4 -2.078 -1.672 16.281 1.00 0.00 C HETATM 391 C5 P5P B 4 -0.775 -1.257 16.427 1.00 0.00 C HETATM 392 C6 P5P B 4 -0.589 0.081 16.838 1.00 0.00 C HETATM 393 N7 P5P B 4 0.109 -2.280 16.106 1.00 0.00 N HETATM 394 C8 P5P B 4 -0.678 -3.270 15.789 1.00 0.00 C HETATM 395 N9 P5P B 4 -2.021 -2.994 15.897 1.00 0.00 N HETATM 396 C1' P5P B 4 -3.188 -3.888 15.677 1.00 0.00 C HETATM 397 C2' P5P B 4 -3.763 -3.750 14.265 1.00 0.00 C HETATM 398 O2' P5P B 4 -5.149 -4.054 14.308 1.00 0.00 O HETATM 399 C3' P5P B 4 -2.977 -4.819 13.506 1.00 0.00 C HETATM 400 O3' P5P B 4 -3.602 -5.284 12.317 1.00 0.00 O HETATM 401 C4' P5P B 4 -2.919 -5.914 14.572 1.00 0.00 C HETATM 402 O4' P5P B 4 -2.810 -5.252 15.828 1.00 0.00 O HETATM 403 C5' P5P B 4 -1.800 -6.937 14.345 1.00 0.00 C HETATM 404 O5' P5P B 4 -0.532 -6.312 14.381 1.00 0.00 O HETATM 405 P P5P B 4 0.842 -7.150 14.296 1.00 0.00 P HETATM 406 OP1 P5P B 4 0.639 -8.286 13.370 1.00 0.00 O HETATM 407 OP2 P5P B 4 1.943 -6.193 14.062 1.00 0.00 O HETATM 0 HO2' P5P B 4 -5.345 -4.574 15.115 1.00 0.00 H new HETATM 0 H5'2 P5P B 4 -1.850 -7.712 15.109 1.00 0.00 H new HETATM 0 H5'1 P5P B 4 -1.941 -7.429 13.382 1.00 0.00 H new HETATM 0 H8 P5P B 4 -0.301 -4.240 15.464 1.00 0.00 H new HETATM 0 H6 P5P B 4 0.414 0.478 16.994 1.00 0.00 H new HETATM 0 H4' P5P B 4 -3.825 -6.519 14.528 1.00 0.00 H new HETATM 0 H3' P5P B 4 -2.018 -4.459 13.132 1.00 0.00 H new HETATM 0 H2' P5P B 4 -3.678 -2.761 13.815 1.00 0.00 H new HETATM 0 H2 P5P B 4 -3.718 1.000 17.022 1.00 0.00 H new HETATM 0 H1' P5P B 4 -3.934 -3.593 16.415 1.00 0.00 H new ATOM 418 P A B 5 -3.856 -4.335 11.031 1.00 0.00 P ATOM 419 OP1 A B 5 -3.779 -5.170 9.812 1.00 0.00 O ATOM 420 OP2 A B 5 -3.016 -3.124 11.157 1.00 0.00 O ATOM 421 O5' A B 5 -5.398 -3.910 11.264 1.00 0.00 O ATOM 422 C5' A B 5 -6.450 -4.858 11.201 1.00 0.00 C ATOM 423 C4' A B 5 -7.812 -4.186 11.414 1.00 0.00 C ATOM 424 O4' A B 5 -7.886 -3.516 12.669 1.00 0.00 O ATOM 425 C3' A B 5 -8.153 -3.144 10.349 1.00 0.00 C ATOM 426 O3' A B 5 -8.728 -3.683 9.169 1.00 0.00 O ATOM 427 C2' A B 5 -9.165 -2.288 11.103 1.00 0.00 C ATOM 428 O2' A B 5 -10.441 -2.901 11.155 1.00 0.00 O ATOM 429 C1' A B 5 -8.548 -2.263 12.500 1.00 0.00 C ATOM 430 N9 A B 5 -7.583 -1.140 12.620 1.00 0.00 N ATOM 431 C8 A B 5 -6.221 -1.195 12.771 1.00 0.00 C ATOM 432 N7 A B 5 -5.646 -0.040 12.911 1.00 0.00 N ATOM 433 C5 A B 5 -6.697 0.861 12.841 1.00 0.00 C ATOM 434 C6 A B 5 -6.768 2.267 12.943 1.00 0.00 C ATOM 435 N6 A B 5 -5.701 3.028 13.171 1.00 0.00 N ATOM 436 N1 A B 5 -7.964 2.872 12.831 1.00 0.00 N ATOM 437 C2 A B 5 -9.042 2.112 12.639 1.00 0.00 C ATOM 438 N3 A B 5 -9.114 0.785 12.538 1.00 0.00 N ATOM 439 C4 A B 5 -7.887 0.204 12.652 1.00 0.00 C ATOM 0 H5' A B 5 -6.297 -5.626 11.959 1.00 0.00 H new ATOM 0 H5'' A B 5 -6.435 -5.358 10.233 1.00 0.00 H new ATOM 0 H4' A B 5 -8.521 -5.012 11.362 1.00 0.00 H new ATOM 0 H3' A B 5 -7.272 -2.623 9.974 1.00 0.00 H new ATOM 0 H2' A B 5 -9.332 -1.312 10.647 1.00 0.00 H new ATOM 0 HO2' A B 5 -10.504 -3.585 10.456 1.00 0.00 H new ATOM 0 H1' A B 5 -9.308 -2.115 13.267 1.00 0.00 H new ATOM 0 H8 A B 5 -5.671 -2.125 12.773 1.00 0.00 H new ATOM 0 H61 A B 5 -5.802 4.041 13.237 1.00 0.00 H new ATOM 0 H62 A B 5 -4.782 2.599 13.280 1.00 0.00 H new ATOM 0 H2 A B 5 -9.980 2.641 12.554 1.00 0.00 H new ATOM 451 P G B 6 -8.040 -3.467 7.724 1.00 0.00 P ATOM 452 OP1 G B 6 -8.971 -3.967 6.687 1.00 0.00 O ATOM 453 OP2 G B 6 -6.656 -3.984 7.789 1.00 0.00 O ATOM 454 O5' G B 6 -7.972 -1.858 7.623 1.00 0.00 O ATOM 455 C5' G B 6 -9.138 -1.056 7.587 1.00 0.00 C ATOM 456 C4' G B 6 -8.803 0.375 8.019 1.00 0.00 C ATOM 457 O4' G B 6 -8.194 0.386 9.304 1.00 0.00 O ATOM 458 C3' G B 6 -7.831 1.100 7.091 1.00 0.00 C ATOM 459 O3' G B 6 -8.460 1.610 5.925 1.00 0.00 O ATOM 460 C2' G B 6 -7.312 2.181 8.041 1.00 0.00 C ATOM 461 O2' G B 6 -8.225 3.247 8.243 1.00 0.00 O ATOM 462 C1' G B 6 -7.199 1.397 9.348 1.00 0.00 C ATOM 463 N9 G B 6 -5.837 0.826 9.485 1.00 0.00 N ATOM 464 C8 G B 6 -5.396 -0.453 9.256 1.00 0.00 C ATOM 465 N7 G B 6 -4.112 -0.612 9.400 1.00 0.00 N ATOM 466 C5 G B 6 -3.655 0.655 9.755 1.00 0.00 C ATOM 467 C6 G B 6 -2.329 1.128 10.029 1.00 0.00 C ATOM 468 O6 G B 6 -1.272 0.502 10.029 1.00 0.00 O ATOM 469 N1 G B 6 -2.295 2.487 10.320 1.00 0.00 N ATOM 470 C2 G B 6 -3.404 3.298 10.356 1.00 0.00 C ATOM 471 N2 G B 6 -3.204 4.578 10.638 1.00 0.00 N ATOM 472 N3 G B 6 -4.648 2.875 10.091 1.00 0.00 N ATOM 473 C4 G B 6 -4.708 1.542 9.805 1.00 0.00 C ATOM 0 H5' G B 6 -9.898 -1.475 8.246 1.00 0.00 H new ATOM 0 H5'' G B 6 -9.556 -1.052 6.580 1.00 0.00 H new ATOM 0 H4' G B 6 -9.764 0.888 8.003 1.00 0.00 H new ATOM 0 H3' G B 6 -7.048 0.475 6.660 1.00 0.00 H new ATOM 0 H2' G B 6 -6.403 2.649 7.664 1.00 0.00 H new ATOM 0 HO2' G B 6 -7.834 3.901 8.859 1.00 0.00 H new ATOM 0 H1' G B 6 -7.356 2.036 10.217 1.00 0.00 H new ATOM 0 H8 G B 6 -6.058 -1.260 8.980 1.00 0.00 H new ATOM 0 H1 G B 6 -1.388 2.910 10.520 1.00 0.00 H new ATOM 0 H21 G B 6 -3.995 5.221 10.677 1.00 0.00 H new ATOM 0 H22 G B 6 -2.259 4.919 10.816 1.00 0.00 H new ATOM 485 P C B 7 -7.623 1.965 4.588 1.00 0.00 P ATOM 486 OP1 C B 7 -8.572 2.477 3.575 1.00 0.00 O ATOM 487 OP2 C B 7 -6.763 0.806 4.264 1.00 0.00 O ATOM 488 O5' C B 7 -6.660 3.178 5.039 1.00 0.00 O ATOM 489 C5' C B 7 -7.157 4.479 5.288 1.00 0.00 C ATOM 490 C4' C B 7 -6.050 5.387 5.838 1.00 0.00 C ATOM 491 O4' C B 7 -5.454 4.873 7.026 1.00 0.00 O ATOM 492 C3' C B 7 -4.902 5.599 4.853 1.00 0.00 C ATOM 493 O3' C B 7 -5.209 6.541 3.835 1.00 0.00 O ATOM 494 C2' C B 7 -3.824 6.090 5.815 1.00 0.00 C ATOM 495 O2' C B 7 -4.029 7.438 6.197 1.00 0.00 O ATOM 496 C1' C B 7 -4.063 5.196 7.033 1.00 0.00 C ATOM 497 N1 C B 7 -3.176 3.992 6.988 1.00 0.00 N ATOM 498 C2 C B 7 -1.830 4.151 7.347 1.00 0.00 C ATOM 499 O2 C B 7 -1.380 5.246 7.681 1.00 0.00 O ATOM 500 N3 C B 7 -0.999 3.073 7.319 1.00 0.00 N ATOM 501 C4 C B 7 -1.454 1.875 6.952 1.00 0.00 C ATOM 502 N4 C B 7 -0.605 0.858 6.965 1.00 0.00 N ATOM 503 C5 C B 7 -2.818 1.676 6.561 1.00 0.00 C ATOM 504 C6 C B 7 -3.636 2.756 6.590 1.00 0.00 C ATOM 0 H5' C B 7 -7.980 4.429 6.001 1.00 0.00 H new ATOM 0 H5'' C B 7 -7.558 4.903 4.367 1.00 0.00 H new ATOM 0 H4' C B 7 -6.567 6.326 6.034 1.00 0.00 H new ATOM 0 H3' C B 7 -4.630 4.718 4.271 1.00 0.00 H new ATOM 0 H2' C B 7 -2.824 6.045 5.383 1.00 0.00 H new ATOM 0 HO2' C B 7 -4.642 7.867 5.565 1.00 0.00 H new ATOM 0 H1' C B 7 -3.810 5.698 7.967 1.00 0.00 H new ATOM 0 H41 C B 7 -0.920 -0.073 6.690 1.00 0.00 H new ATOM 0 H42 C B 7 0.363 1.006 7.250 1.00 0.00 H new ATOM 0 H5 C B 7 -3.179 0.705 6.256 1.00 0.00 H new ATOM 0 H6 C B 7 -4.669 2.646 6.295 1.00 0.00 H new ATOM 516 P C B 8 -4.423 6.558 2.420 1.00 0.00 P ATOM 517 OP1 C B 8 -5.042 7.594 1.565 1.00 0.00 O ATOM 518 OP2 C B 8 -4.319 5.167 1.930 1.00 0.00 O ATOM 519 O5' C B 8 -2.943 7.053 2.828 1.00 0.00 O ATOM 520 C5' C B 8 -2.663 8.402 3.151 1.00 0.00 C ATOM 521 C4' C B 8 -1.225 8.550 3.657 1.00 0.00 C ATOM 522 O4' C B 8 -0.963 7.706 4.773 1.00 0.00 O ATOM 523 C3' C B 8 -0.166 8.198 2.613 1.00 0.00 C ATOM 524 O3' C B 8 0.082 9.234 1.675 1.00 0.00 O ATOM 525 C2' C B 8 1.032 7.970 3.527 1.00 0.00 C ATOM 526 O2' C B 8 1.596 9.193 3.967 1.00 0.00 O ATOM 527 C1' C B 8 0.393 7.268 4.723 1.00 0.00 C ATOM 528 N1 C B 8 0.535 5.787 4.594 1.00 0.00 N ATOM 529 C2 C B 8 1.778 5.220 4.906 1.00 0.00 C ATOM 530 O2 C B 8 2.741 5.915 5.224 1.00 0.00 O ATOM 531 N3 C B 8 1.929 3.872 4.841 1.00 0.00 N ATOM 532 C4 C B 8 0.916 3.093 4.467 1.00 0.00 C ATOM 533 N4 C B 8 1.135 1.787 4.435 1.00 0.00 N ATOM 534 C5 C B 8 -0.348 3.638 4.071 1.00 0.00 C ATOM 535 C6 C B 8 -0.491 4.985 4.144 1.00 0.00 C ATOM 0 H5' C B 8 -3.360 8.751 3.913 1.00 0.00 H new ATOM 0 H5'' C B 8 -2.811 9.030 2.272 1.00 0.00 H new ATOM 0 H4' C B 8 -1.154 9.605 3.920 1.00 0.00 H new ATOM 0 H3' C B 8 -0.442 7.362 1.971 1.00 0.00 H new ATOM 0 H2' C B 8 1.834 7.420 3.035 1.00 0.00 H new ATOM 0 HO2' C B 8 1.346 9.910 3.348 1.00 0.00 H new ATOM 0 H1' C B 8 0.885 7.521 5.662 1.00 0.00 H new ATOM 0 H41 C B 8 0.388 1.151 4.155 1.00 0.00 H new ATOM 0 H42 C B 8 2.050 1.417 4.691 1.00 0.00 H new ATOM 0 H5 C B 8 -1.153 3.004 3.729 1.00 0.00 H new ATOM 0 H6 C B 8 -1.425 5.437 3.844 1.00 0.00 H new ATOM 547 P U B 9 0.680 8.919 0.206 1.00 0.00 P ATOM 548 OP1 U B 9 0.932 10.209 -0.473 1.00 0.00 O ATOM 549 OP2 U B 9 -0.193 7.911 -0.434 1.00 0.00 O ATOM 550 O5' U B 9 2.103 8.214 0.512 1.00 0.00 O ATOM 551 C5' U B 9 3.249 8.950 0.905 1.00 0.00 C ATOM 552 C4' U B 9 4.426 8.011 1.205 1.00 0.00 C ATOM 553 O4' U B 9 4.124 7.080 2.237 1.00 0.00 O ATOM 554 C3' U B 9 4.863 7.179 0.000 1.00 0.00 C ATOM 555 O3' U B 9 5.722 7.876 -0.878 1.00 0.00 O ATOM 556 C2' U B 9 5.599 6.031 0.686 1.00 0.00 C ATOM 557 O2' U B 9 6.932 6.383 1.027 1.00 0.00 O ATOM 558 C1' U B 9 4.777 5.843 1.967 1.00 0.00 C ATOM 559 N1 U B 9 3.826 4.704 1.814 1.00 0.00 N ATOM 560 C2 U B 9 4.339 3.413 1.991 1.00 0.00 C ATOM 561 O2 U B 9 5.516 3.193 2.272 1.00 0.00 O ATOM 562 N3 U B 9 3.456 2.357 1.810 1.00 0.00 N ATOM 563 C4 U B 9 2.138 2.470 1.401 1.00 0.00 C ATOM 564 O4 U B 9 1.455 1.465 1.234 1.00 0.00 O ATOM 565 C5 U B 9 1.690 3.835 1.204 1.00 0.00 C ATOM 566 C6 U B 9 2.520 4.889 1.411 1.00 0.00 C ATOM 0 H5' U B 9 3.019 9.545 1.789 1.00 0.00 H new ATOM 0 H5'' U B 9 3.527 9.647 0.115 1.00 0.00 H new ATOM 0 H4' U B 9 5.226 8.689 1.503 1.00 0.00 H new ATOM 0 H3' U B 9 4.030 6.883 -0.638 1.00 0.00 H new ATOM 0 H2' U B 9 5.679 5.146 0.055 1.00 0.00 H new ATOM 0 HO2' U B 9 7.238 7.109 0.444 1.00 0.00 H new ATOM 0 HO3' U B 9 5.968 7.293 -1.626 1.00 0.00 H new ATOM 0 H1' U B 9 5.412 5.585 2.815 1.00 0.00 H new ATOM 0 H3 U B 9 3.808 1.418 1.994 1.00 0.00 H new ATOM 0 H5 U B 9 0.674 4.017 0.886 1.00 0.00 H new ATOM 0 H6 U B 9 2.150 5.892 1.257 1.00 0.00 H new TER 578 U B 9 CONECT 75 116 CONECT 98 99 103 CONECT 99 98 100 119 CONECT 100 99 101 CONECT 101 100 102 106 CONECT 102 101 103 104 CONECT 103 98 102 120 CONECT 104 102 105 CONECT 105 104 106 121 CONECT 106 101 105 107 CONECT 107 106 108 113 122 CONECT 108 107 109 110 123 CONECT 109 108 124 CONECT 110 108 111 112 125 CONECT 111 110 129 CONECT 112 110 113 114 126 CONECT 113 107 112 CONECT 114 112 115 127 128 CONECT 115 114 116 CONECT 116 75 115 117 118 CONECT 117 116 CONECT 118 116 CONECT 119 99 CONECT 120 103 CONECT 121 105 CONECT 122 107 CONECT 123 108 CONECT 124 109 CONECT 125 110 CONECT 126 112 CONECT 127 114 CONECT 128 114 CONECT 129 111 CONECT 364 405 CONECT 387 388 392 CONECT 388 387 389 408 CONECT 389 388 390 CONECT 390 389 391 395 CONECT 391 390 392 393 CONECT 392 387 391 409 CONECT 393 391 394 CONECT 394 393 395 410 CONECT 395 390 394 396 CONECT 396 395 397 402 411 CONECT 397 396 398 399 412 CONECT 398 397 413 CONECT 399 397 400 401 414 CONECT 400 399 418 CONECT 401 399 402 403 415 CONECT 402 396 401 CONECT 403 401 404 416 417 CONECT 404 403 405 CONECT 405 364 404 406 407 CONECT 406 405 CONECT 407 405 CONECT 408 388 CONECT 409 392 CONECT 410 394 CONECT 411 396 CONECT 412 397 CONECT 413 398 CONECT 414 399 CONECT 415 401 CONECT 416 403 CONECT 417 403 CONECT 418 400 END