USER MOD reduce.3.24.130724 H: found=0, std=0, add=112, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 112 hydrogens (0 hets) HEADER RNA 06-OCT-03 1R4H TITLE NMR SOLUTION STRUCTURE OF THE IIIC DOMAIN OF GB VIRUS B TITLE 2 IRES ELEMENT COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*GP*GP*CP*AP*AP*GP*CP*CP*C)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE SEQUENCE OCCURS NATURALLY IN GB VIRUS B SOURCE 4 AND WAS SYNTHESIZED IN VITRO TRANCRIPTION USING T7 RNA SOURCE 5 POLYMERASE. KEYWDS GB VIRUS B, IRES, HAIRPIN LOOP, RNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR K.KALUARACHCHI,V.THIVIYANATHAN,R.RIJINBRAND,S.M.LEMON, AUTHOR 2 D.G.GORENSTEIN REVDAT 3 24-FEB-09 1R4H 1 VERSN REVDAT 2 15-FEB-05 1R4H 1 JRNL REVDAT 1 19-OCT-04 1R4H 0 JRNL AUTH R.RIJNBRAND,V.THIVIYANATHAN,K.KALUARACHCHI, JRNL AUTH 2 S.M.LEMON,D.G.GORENSTEIN JRNL TITL MUTATIONAL AND STRUCTURAL ANALYSIS OF STEM-LOOP JRNL TITL 2 IIIC OF THE HEPATITIS C VIRUS AND GB VIRUS B JRNL TITL 3 INTERNAL RIBOSOME ENTRY SITES. JRNL REF J.MOL.BIOL. V. 343 805 2004 JRNL REFN ISSN 0022-2836 JRNL PMID 15476802 JRNL DOI 10.1016/J.JMB.2004.08.095 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER, A REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1R4H COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-OCT-03. REMARK 100 THE RCSB ID CODE IS RCSB020425. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 10 MM KCL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 10 MM PHOSPHATE, 10 MM KCL, REMARK 210 0.05 MM EDTA PH 6.8, 90% H2O, REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 97 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING RESTRAINED MOLECULAR REMARK 210 DYNAMICS COMPLETE RELAXATION REMARK 210 MATRIX REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY,STRUCTURES REMARK 210 WITH FAVORABLE NON-BOND ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES. 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O2' G A 1 O5' G A 2 2.10 REMARK 500 O2' A A 6 C8 G A 7 2.11 REMARK 500 O2' G A 7 O5' C A 8 2.11 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 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES REMARK 500 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES REMARK 500 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 A A 5 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 7 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 G A 7 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 1R4H A 1 10 PDB 1R4H 1R4H 1 10 SEQRES 1 A 10 G G G C A A G C C C 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 -69:sc= -5.75! USER MOD Single : A 1 G O5' : rot 180:sc= -0.131 USER MOD Single : A 2 G O2' : rot -130:sc= -1.26! USER MOD Single : A 3 G O2' : rot -132:sc= -4.01! USER MOD Single : A 4 C O2' : rot -96:sc= 1.27 USER MOD Single : A 5 A O2' : rot -101:sc= -2.61! USER MOD Single : A 6 A O2' : rot -63:sc= -11.9! USER MOD Single : A 7 G O2' : rot -88:sc= -0.327! USER MOD Single : A 8 C O2' : rot -19:sc= 0.205 USER MOD Single : A 9 C O2' : rot 180:sc= -0.0231 USER MOD Single : A 10 C O2' : rot -30:sc= 0.177 USER MOD Single : A 10 C O3' : rot 180:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -7.527 -6.263 13.857 1.00 0.00 O ATOM 2 C5' G A 1 -8.654 -5.503 14.317 1.00 0.00 C ATOM 3 C4' G A 1 -8.883 -4.244 13.490 1.00 0.00 C ATOM 4 O4' G A 1 -9.090 -3.101 14.330 1.00 0.00 O ATOM 5 C3' G A 1 -7.663 -3.910 12.642 1.00 0.00 C ATOM 6 O3' G A 1 -7.670 -4.565 11.360 1.00 0.00 O ATOM 7 C2' G A 1 -7.791 -2.404 12.475 1.00 0.00 C ATOM 8 O2' G A 1 -8.621 -2.068 11.359 1.00 0.00 O ATOM 9 C1' G A 1 -8.425 -1.950 13.787 1.00 0.00 C ATOM 10 N9 G A 1 -7.430 -1.391 14.737 1.00 0.00 N ATOM 11 C8 G A 1 -6.105 -1.661 14.892 1.00 0.00 C ATOM 12 N7 G A 1 -5.463 -1.001 15.798 1.00 0.00 N ATOM 13 C5 G A 1 -6.467 -0.183 16.325 1.00 0.00 C ATOM 14 C6 G A 1 -6.402 0.786 17.363 1.00 0.00 C ATOM 15 O6 G A 1 -5.423 1.132 18.026 1.00 0.00 O ATOM 16 N1 G A 1 -7.639 1.381 17.583 1.00 0.00 N ATOM 17 C2 G A 1 -8.797 1.088 16.892 1.00 0.00 C ATOM 18 N2 G A 1 -9.885 1.774 17.245 1.00 0.00 N ATOM 19 N3 G A 1 -8.866 0.179 15.915 1.00 0.00 N ATOM 20 C4 G A 1 -7.673 -0.417 15.682 1.00 0.00 C ATOM 0 H5' G A 1 -8.501 -5.226 15.360 1.00 0.00 H new ATOM 0 H5'' G A 1 -9.548 -6.126 14.281 1.00 0.00 H new ATOM 0 H4' G A 1 -9.756 -4.450 12.871 1.00 0.00 H new ATOM 0 H3' G A 1 -6.733 -4.240 13.105 1.00 0.00 H new ATOM 0 H2' G A 1 -6.833 -1.923 12.276 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.161 -2.305 10.526 1.00 0.00 H new ATOM 0 HO5' G A 1 -7.419 -7.059 14.418 1.00 0.00 H new ATOM 0 H1' G A 1 -9.127 -1.135 13.609 1.00 0.00 H new ATOM 0 H8 G A 1 -5.609 -2.400 14.280 1.00 0.00 H new ATOM 0 H1 G A 1 -7.695 2.091 18.313 1.00 0.00 H new ATOM 0 H21 G A 1 -10.772 1.603 16.771 1.00 0.00 H new ATOM 0 H22 G A 1 -9.830 2.470 17.989 1.00 0.00 H new ATOM 33 P G A 2 -8.982 -4.562 10.417 1.00 0.00 P ATOM 34 OP1 G A 2 -10.180 -4.456 11.282 1.00 0.00 O ATOM 35 OP2 G A 2 -8.864 -5.684 9.459 1.00 0.00 O ATOM 36 O5' G A 2 -8.828 -3.182 9.596 1.00 0.00 O ATOM 37 C5' G A 2 -9.983 -2.401 9.249 1.00 0.00 C ATOM 38 C4' G A 2 -9.615 -1.053 8.640 1.00 0.00 C ATOM 39 O4' G A 2 -9.386 -0.065 9.652 1.00 0.00 O ATOM 40 C3' G A 2 -8.311 -1.135 7.859 1.00 0.00 C ATOM 41 O3' G A 2 -8.558 -1.566 6.514 1.00 0.00 O ATOM 42 C2' G A 2 -7.812 0.298 7.929 1.00 0.00 C ATOM 43 O2' G A 2 -8.380 1.098 6.885 1.00 0.00 O ATOM 44 C1' G A 2 -8.277 0.775 9.300 1.00 0.00 C ATOM 45 N9 G A 2 -7.199 0.700 10.318 1.00 0.00 N ATOM 46 C8 G A 2 -6.283 -0.277 10.557 1.00 0.00 C ATOM 47 N7 G A 2 -5.450 -0.092 11.525 1.00 0.00 N ATOM 48 C5 G A 2 -5.842 1.160 12.007 1.00 0.00 C ATOM 49 C6 G A 2 -5.312 1.927 13.080 1.00 0.00 C ATOM 50 O6 G A 2 -4.380 1.647 13.830 1.00 0.00 O ATOM 51 N1 G A 2 -5.994 3.128 13.233 1.00 0.00 N ATOM 52 C2 G A 2 -7.057 3.544 12.455 1.00 0.00 C ATOM 53 N2 G A 2 -7.586 4.729 12.761 1.00 0.00 N ATOM 54 N3 G A 2 -7.561 2.827 11.444 1.00 0.00 N ATOM 55 C4 G A 2 -6.911 1.652 11.275 1.00 0.00 C ATOM 0 H5' G A 2 -10.590 -2.240 10.140 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.597 -2.960 8.542 1.00 0.00 H new ATOM 0 H4' G A 2 -10.454 -0.784 7.998 1.00 0.00 H new ATOM 0 H3' G A 2 -7.589 -1.853 8.249 1.00 0.00 H new ATOM 0 H2' G A 2 -6.732 0.374 7.798 1.00 0.00 H new ATOM 0 HO2' G A 2 -7.666 1.579 6.417 1.00 0.00 H new ATOM 0 H1' G A 2 -8.563 1.826 9.265 1.00 0.00 H new ATOM 0 H8 G A 2 -6.254 -1.175 9.958 1.00 0.00 H new ATOM 0 H1 G A 2 -5.685 3.752 13.979 1.00 0.00 H new ATOM 0 H21 G A 2 -8.373 5.090 12.223 1.00 0.00 H new ATOM 0 H22 G A 2 -7.203 5.274 13.534 1.00 0.00 H new ATOM 67 P G A 3 -7.426 -2.351 5.677 1.00 0.00 P ATOM 68 OP1 G A 3 -8.022 -3.598 5.148 1.00 0.00 O ATOM 69 OP2 G A 3 -6.197 -2.412 6.500 1.00 0.00 O ATOM 70 O5' G A 3 -7.153 -1.357 4.439 1.00 0.00 O ATOM 71 C5' G A 3 -7.957 -0.182 4.251 1.00 0.00 C ATOM 72 C4' G A 3 -7.117 1.068 4.028 1.00 0.00 C ATOM 73 O4' G A 3 -6.997 1.841 5.228 1.00 0.00 O ATOM 74 C3' G A 3 -5.695 0.713 3.624 1.00 0.00 C ATOM 75 O3' G A 3 -5.739 0.504 2.206 1.00 0.00 O ATOM 76 C2' G A 3 -4.920 1.934 4.089 1.00 0.00 C ATOM 77 O2' G A 3 -4.925 2.965 3.096 1.00 0.00 O ATOM 78 C1' G A 3 -5.669 2.373 5.342 1.00 0.00 C ATOM 79 N9 G A 3 -5.006 1.912 6.585 1.00 0.00 N ATOM 80 C8 G A 3 -4.877 0.660 7.092 1.00 0.00 C ATOM 81 N7 G A 3 -4.269 0.531 8.223 1.00 0.00 N ATOM 82 C5 G A 3 -3.947 1.856 8.529 1.00 0.00 C ATOM 83 C6 G A 3 -3.268 2.391 9.658 1.00 0.00 C ATOM 84 O6 G A 3 -2.811 1.790 10.627 1.00 0.00 O ATOM 85 N1 G A 3 -3.152 3.774 9.576 1.00 0.00 N ATOM 86 C2 G A 3 -3.630 4.551 8.539 1.00 0.00 C ATOM 87 N2 G A 3 -3.425 5.865 8.639 1.00 0.00 N ATOM 88 N3 G A 3 -4.270 4.055 7.474 1.00 0.00 N ATOM 89 C4 G A 3 -4.394 2.709 7.531 1.00 0.00 C ATOM 0 H5' G A 3 -8.594 -0.037 5.124 1.00 0.00 H new ATOM 0 H5'' G A 3 -8.617 -0.330 3.396 1.00 0.00 H new ATOM 0 H4' G A 3 -7.626 1.629 3.245 1.00 0.00 H new ATOM 0 H3' G A 3 -5.237 -0.183 4.043 1.00 0.00 H new ATOM 0 H2' G A 3 -3.868 1.720 4.275 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.013 3.301 2.968 1.00 0.00 H new ATOM 0 H1' G A 3 -5.684 3.461 5.412 1.00 0.00 H new ATOM 0 H8 G A 3 -5.269 -0.199 6.567 1.00 0.00 H new ATOM 0 H1 G A 3 -2.677 4.252 10.341 1.00 0.00 H new ATOM 0 H21 G A 3 -3.755 6.490 7.904 1.00 0.00 H new ATOM 0 H22 G A 3 -2.938 6.245 9.451 1.00 0.00 H new ATOM 101 P C A 4 -4.559 -0.278 1.440 1.00 0.00 P ATOM 102 OP1 C A 4 -5.162 -1.401 0.687 1.00 0.00 O ATOM 103 OP2 C A 4 -3.468 -0.539 2.405 1.00 0.00 O ATOM 104 O5' C A 4 -4.045 0.823 0.380 1.00 0.00 O ATOM 105 C5' C A 4 -4.461 2.192 0.478 1.00 0.00 C ATOM 106 C4' C A 4 -3.266 3.134 0.630 1.00 0.00 C ATOM 107 O4' C A 4 -3.273 3.823 1.894 1.00 0.00 O ATOM 108 C3' C A 4 -1.954 2.364 0.637 1.00 0.00 C ATOM 109 O3' C A 4 -1.512 1.929 -0.658 1.00 0.00 O ATOM 110 C2' C A 4 -1.066 3.441 1.234 1.00 0.00 C ATOM 111 O2' C A 4 -0.765 4.465 0.278 1.00 0.00 O ATOM 112 C1' C A 4 -1.922 3.975 2.365 1.00 0.00 C ATOM 113 N1 C A 4 -1.679 3.220 3.616 1.00 0.00 N ATOM 114 C2 C A 4 -1.183 3.922 4.707 1.00 0.00 C ATOM 115 O2 C A 4 -1.075 5.147 4.659 1.00 0.00 O ATOM 116 N3 C A 4 -0.837 3.220 5.822 1.00 0.00 N ATOM 117 C4 C A 4 -0.970 1.888 5.864 1.00 0.00 C ATOM 118 N4 C A 4 -0.610 1.226 6.962 1.00 0.00 N ATOM 119 C5 C A 4 -1.485 1.167 4.747 1.00 0.00 C ATOM 120 C6 C A 4 -1.835 1.866 3.657 1.00 0.00 C ATOM 0 H5' C A 4 -5.129 2.310 1.331 1.00 0.00 H new ATOM 0 H5'' C A 4 -5.029 2.465 -0.411 1.00 0.00 H new ATOM 0 H4' C A 4 -3.348 3.824 -0.210 1.00 0.00 H new ATOM 0 H3' C A 4 -1.986 1.414 1.171 1.00 0.00 H new ATOM 0 H2' C A 4 -0.094 3.071 1.559 1.00 0.00 H new ATOM 0 HO2' C A 4 0.099 4.275 -0.144 1.00 0.00 H new ATOM 0 H1' C A 4 -1.697 5.013 2.611 1.00 0.00 H new ATOM 0 H41 C A 4 -0.708 0.212 7.001 1.00 0.00 H new ATOM 0 H42 C A 4 -0.236 1.733 7.764 1.00 0.00 H new ATOM 0 H5 C A 4 -1.590 0.093 4.778 1.00 0.00 H new ATOM 0 H6 C A 4 -2.245 1.350 2.801 1.00 0.00 H new ATOM 132 P A A 5 -1.010 0.410 -0.880 1.00 0.00 P ATOM 133 OP1 A A 5 0.030 0.413 -1.933 1.00 0.00 O ATOM 134 OP2 A A 5 -2.202 -0.456 -1.026 1.00 0.00 O ATOM 135 O5' A A 5 -0.302 0.063 0.531 1.00 0.00 O ATOM 136 C5' A A 5 0.325 -1.208 0.751 1.00 0.00 C ATOM 137 C4' A A 5 1.379 -1.143 1.865 1.00 0.00 C ATOM 138 O4' A A 5 2.461 -0.278 1.512 1.00 0.00 O ATOM 139 C3' A A 5 0.807 -0.566 3.156 1.00 0.00 C ATOM 140 O3' A A 5 1.395 -0.990 4.403 1.00 0.00 O ATOM 141 C2' A A 5 1.050 0.926 3.017 1.00 0.00 C ATOM 142 O2' A A 5 1.243 1.541 4.296 1.00 0.00 O ATOM 143 C1' A A 5 2.321 0.980 2.191 1.00 0.00 C ATOM 144 N9 A A 5 2.260 2.075 1.212 1.00 0.00 N ATOM 145 C8 A A 5 1.367 2.282 0.222 1.00 0.00 C ATOM 146 N7 A A 5 1.543 3.315 -0.535 1.00 0.00 N ATOM 147 C5 A A 5 2.701 3.874 0.022 1.00 0.00 C ATOM 148 C6 A A 5 3.456 5.010 -0.295 1.00 0.00 C ATOM 149 N6 A A 5 3.153 5.832 -1.300 1.00 0.00 N ATOM 150 N1 A A 5 4.537 5.264 0.466 1.00 0.00 N ATOM 151 C2 A A 5 4.858 4.453 1.476 1.00 0.00 C ATOM 152 N3 A A 5 4.216 3.356 1.859 1.00 0.00 N ATOM 153 C4 A A 5 3.140 3.123 1.086 1.00 0.00 C ATOM 0 H5' A A 5 0.794 -1.546 -0.173 1.00 0.00 H new ATOM 0 H5'' A A 5 -0.433 -1.946 1.012 1.00 0.00 H new ATOM 0 H4' A A 5 1.712 -2.172 2.003 1.00 0.00 H new ATOM 0 H3' A A 5 -0.225 -0.906 3.236 1.00 0.00 H new ATOM 0 H2' A A 5 0.214 1.459 2.564 1.00 0.00 H new ATOM 0 HO2' A A 5 0.416 1.987 4.572 1.00 0.00 H new ATOM 0 H1' A A 5 3.177 1.162 2.841 1.00 0.00 H new ATOM 0 H8 A A 5 0.536 1.610 0.068 1.00 0.00 H new ATOM 0 H61 A A 5 3.738 6.646 -1.487 1.00 0.00 H new ATOM 0 H62 A A 5 2.336 5.647 -1.882 1.00 0.00 H new ATOM 0 H2 A A 5 5.737 4.718 2.045 1.00 0.00 H new ATOM 165 P A A 6 2.957 -1.389 4.529 1.00 0.00 P ATOM 166 OP1 A A 6 3.428 -1.865 3.209 1.00 0.00 O ATOM 167 OP2 A A 6 3.113 -2.257 5.718 1.00 0.00 O ATOM 168 O5' A A 6 3.672 0.025 4.846 1.00 0.00 O ATOM 169 C5' A A 6 4.683 0.542 3.970 1.00 0.00 C ATOM 170 C4' A A 6 5.749 1.349 4.716 1.00 0.00 C ATOM 171 O4' A A 6 5.729 2.733 4.344 1.00 0.00 O ATOM 172 C3' A A 6 5.543 1.342 6.225 1.00 0.00 C ATOM 173 O3' A A 6 6.885 1.296 6.738 1.00 0.00 O ATOM 174 C2' A A 6 4.674 2.560 6.463 1.00 0.00 C ATOM 175 O2' A A 6 4.903 3.112 7.762 1.00 0.00 O ATOM 176 C1' A A 6 5.106 3.528 5.368 1.00 0.00 C ATOM 177 N9 A A 6 3.931 4.243 4.837 1.00 0.00 N ATOM 178 C8 A A 6 2.698 3.762 4.544 1.00 0.00 C ATOM 179 N7 A A 6 1.822 4.600 4.098 1.00 0.00 N ATOM 180 C5 A A 6 2.551 5.794 4.089 1.00 0.00 C ATOM 181 C6 A A 6 2.221 7.104 3.723 1.00 0.00 C ATOM 182 N6 A A 6 1.015 7.453 3.274 1.00 0.00 N ATOM 183 N1 A A 6 3.180 8.039 3.838 1.00 0.00 N ATOM 184 C2 A A 6 4.393 7.711 4.287 1.00 0.00 C ATOM 185 N3 A A 6 4.814 6.506 4.661 1.00 0.00 N ATOM 186 C4 A A 6 3.836 5.586 4.537 1.00 0.00 C ATOM 0 H5' A A 6 4.216 1.174 3.215 1.00 0.00 H new ATOM 0 H5'' A A 6 5.160 -0.285 3.443 1.00 0.00 H new ATOM 0 H4' A A 6 6.688 0.867 4.445 1.00 0.00 H new ATOM 0 H3' A A 6 5.022 0.526 6.726 1.00 0.00 H new ATOM 0 H2' A A 6 3.609 2.332 6.429 1.00 0.00 H new ATOM 0 HO2' A A 6 4.648 2.457 8.445 1.00 0.00 H new ATOM 0 H1' A A 6 5.798 4.280 5.746 1.00 0.00 H new ATOM 0 H8 A A 6 2.457 2.718 4.678 1.00 0.00 H new ATOM 0 H61 A A 6 0.826 8.423 3.021 1.00 0.00 H new ATOM 0 H62 A A 6 0.281 6.750 3.184 1.00 0.00 H new ATOM 0 H2 A A 6 5.113 8.513 4.354 1.00 0.00 H new ATOM 198 P G A 7 7.229 1.710 8.259 1.00 0.00 P ATOM 199 OP1 G A 7 8.413 0.934 8.691 1.00 0.00 O ATOM 200 OP2 G A 7 5.982 1.654 9.055 1.00 0.00 O ATOM 201 O5' G A 7 7.668 3.254 8.107 1.00 0.00 O ATOM 202 C5' G A 7 7.928 4.065 9.264 1.00 0.00 C ATOM 203 C4' G A 7 7.053 5.313 9.300 1.00 0.00 C ATOM 204 O4' G A 7 5.951 5.194 8.392 1.00 0.00 O ATOM 205 C3' G A 7 6.422 5.508 10.675 1.00 0.00 C ATOM 206 O3' G A 7 7.223 6.294 11.570 1.00 0.00 O ATOM 207 C2' G A 7 5.167 6.288 10.334 1.00 0.00 C ATOM 208 O2' G A 7 5.431 7.695 10.264 1.00 0.00 O ATOM 209 C1' G A 7 4.758 5.740 8.975 1.00 0.00 C ATOM 210 N9 G A 7 3.695 4.716 9.079 1.00 0.00 N ATOM 211 C8 G A 7 3.755 3.425 9.502 1.00 0.00 C ATOM 212 N7 G A 7 2.664 2.738 9.474 1.00 0.00 N ATOM 213 C5 G A 7 1.751 3.670 8.971 1.00 0.00 C ATOM 214 C6 G A 7 0.364 3.532 8.701 1.00 0.00 C ATOM 215 O6 G A 7 -0.351 2.551 8.880 1.00 0.00 O ATOM 216 N1 G A 7 -0.178 4.707 8.197 1.00 0.00 N ATOM 217 C2 G A 7 0.521 5.877 7.983 1.00 0.00 C ATOM 218 N2 G A 7 -0.177 6.903 7.498 1.00 0.00 N ATOM 219 N3 G A 7 1.824 6.017 8.238 1.00 0.00 N ATOM 220 C4 G A 7 2.375 4.882 8.726 1.00 0.00 C ATOM 0 H5' G A 7 8.978 4.359 9.271 1.00 0.00 H new ATOM 0 H5'' G A 7 7.755 3.476 10.165 1.00 0.00 H new ATOM 0 H4' G A 7 7.707 6.144 9.038 1.00 0.00 H new ATOM 0 H3' G A 7 6.275 4.557 11.187 1.00 0.00 H new ATOM 0 H2' G A 7 4.387 6.176 11.087 1.00 0.00 H new ATOM 0 HO2' G A 7 5.331 8.091 11.155 1.00 0.00 H new ATOM 0 H1' G A 7 4.334 6.531 8.356 1.00 0.00 H new ATOM 0 H8 G A 7 4.681 2.991 9.848 1.00 0.00 H new ATOM 0 H1 G A 7 -1.172 4.705 7.967 1.00 0.00 H new ATOM 0 H21 G A 7 0.285 7.795 7.319 1.00 0.00 H new ATOM 0 H22 G A 7 -1.173 6.797 7.306 1.00 0.00 H new ATOM 232 P C A 8 6.587 6.934 12.909 1.00 0.00 P ATOM 233 OP1 C A 8 7.514 7.974 13.408 1.00 0.00 O ATOM 234 OP2 C A 8 6.177 5.825 13.800 1.00 0.00 O ATOM 235 O5' C A 8 5.252 7.667 12.367 1.00 0.00 O ATOM 236 C5' C A 8 4.313 8.240 13.287 1.00 0.00 C ATOM 237 C4' C A 8 3.075 8.806 12.579 1.00 0.00 C ATOM 238 O4' C A 8 2.652 7.974 11.488 1.00 0.00 O ATOM 239 C3' C A 8 1.876 8.840 13.520 1.00 0.00 C ATOM 240 O3' C A 8 1.857 10.053 14.288 1.00 0.00 O ATOM 241 C2' C A 8 0.705 8.767 12.557 1.00 0.00 C ATOM 242 O2' C A 8 0.352 10.066 12.067 1.00 0.00 O ATOM 243 C1' C A 8 1.217 7.874 11.434 1.00 0.00 C ATOM 244 N1 C A 8 0.782 6.469 11.598 1.00 0.00 N ATOM 245 C2 C A 8 -0.565 6.181 11.426 1.00 0.00 C ATOM 246 O2 C A 8 -1.359 7.078 11.148 1.00 0.00 O ATOM 247 N3 C A 8 -0.972 4.888 11.570 1.00 0.00 N ATOM 248 C4 C A 8 -0.093 3.921 11.871 1.00 0.00 C ATOM 249 N4 C A 8 -0.523 2.666 12.011 1.00 0.00 N ATOM 250 C5 C A 8 1.295 4.217 12.045 1.00 0.00 C ATOM 251 C6 C A 8 1.686 5.495 11.898 1.00 0.00 C ATOM 0 H5' C A 8 4.800 9.034 13.852 1.00 0.00 H new ATOM 0 H5'' C A 8 4.003 7.481 14.006 1.00 0.00 H new ATOM 0 H4' C A 8 3.369 9.798 12.237 1.00 0.00 H new ATOM 0 H3' C A 8 1.874 8.040 14.260 1.00 0.00 H new ATOM 0 H2' C A 8 -0.200 8.379 13.025 1.00 0.00 H new ATOM 0 HO2' C A 8 0.723 10.752 12.661 1.00 0.00 H new ATOM 0 H1' C A 8 0.818 8.193 10.471 1.00 0.00 H new ATOM 0 H41 C A 8 0.137 1.923 12.240 1.00 0.00 H new ATOM 0 H42 C A 8 -1.512 2.449 11.889 1.00 0.00 H new ATOM 0 H5 C A 8 2.005 3.440 12.286 1.00 0.00 H new ATOM 0 H6 C A 8 2.728 5.752 12.019 1.00 0.00 H new ATOM 263 P C A 9 0.982 10.165 15.638 1.00 0.00 P ATOM 264 OP1 C A 9 1.518 11.285 16.444 1.00 0.00 O ATOM 265 OP2 C A 9 0.870 8.815 16.235 1.00 0.00 O ATOM 266 O5' C A 9 -0.470 10.595 15.083 1.00 0.00 O ATOM 267 C5' C A 9 -1.593 10.695 15.966 1.00 0.00 C ATOM 268 C4' C A 9 -2.917 10.548 15.211 1.00 0.00 C ATOM 269 O4' C A 9 -2.765 9.730 14.047 1.00 0.00 O ATOM 270 C3' C A 9 -3.966 9.830 16.054 1.00 0.00 C ATOM 271 O3' C A 9 -4.668 10.761 16.888 1.00 0.00 O ATOM 272 C2' C A 9 -4.865 9.216 14.994 1.00 0.00 C ATOM 273 O2' C A 9 -5.843 10.154 14.530 1.00 0.00 O ATOM 274 C1' C A 9 -3.882 8.844 13.886 1.00 0.00 C ATOM 275 N1 C A 9 -3.451 7.433 13.989 1.00 0.00 N ATOM 276 C2 C A 9 -4.406 6.444 13.797 1.00 0.00 C ATOM 277 O2 C A 9 -5.578 6.749 13.586 1.00 0.00 O ATOM 278 N3 C A 9 -4.005 5.143 13.849 1.00 0.00 N ATOM 279 C4 C A 9 -2.722 4.827 14.076 1.00 0.00 C ATOM 280 N4 C A 9 -2.363 3.544 14.123 1.00 0.00 N ATOM 281 C5 C A 9 -1.736 5.848 14.271 1.00 0.00 C ATOM 282 C6 C A 9 -2.145 7.125 14.226 1.00 0.00 C ATOM 0 H5' C A 9 -1.570 11.657 16.478 1.00 0.00 H new ATOM 0 H5'' C A 9 -1.523 9.924 16.733 1.00 0.00 H new ATOM 0 H4' C A 9 -3.221 11.565 14.962 1.00 0.00 H new ATOM 0 H3' C A 9 -3.560 9.091 16.744 1.00 0.00 H new ATOM 0 H2' C A 9 -5.441 8.366 15.361 1.00 0.00 H new ATOM 0 HO2' C A 9 -6.405 9.730 13.848 1.00 0.00 H new ATOM 0 H1' C A 9 -4.343 8.945 12.904 1.00 0.00 H new ATOM 0 H41 C A 9 -1.390 3.293 14.295 1.00 0.00 H new ATOM 0 H42 C A 9 -3.062 2.814 13.987 1.00 0.00 H new ATOM 0 H5 C A 9 -0.700 5.599 14.448 1.00 0.00 H new ATOM 0 H6 C A 9 -1.430 7.919 14.380 1.00 0.00 H new ATOM 294 P C A 10 -5.010 10.398 18.421 1.00 0.00 P ATOM 295 OP1 C A 10 -5.250 11.662 19.153 1.00 0.00 O ATOM 296 OP2 C A 10 -3.990 9.444 18.912 1.00 0.00 O ATOM 297 O5' C A 10 -6.412 9.614 18.293 1.00 0.00 O ATOM 298 C5' C A 10 -7.522 10.206 17.607 1.00 0.00 C ATOM 299 C4' C A 10 -8.693 9.232 17.487 1.00 0.00 C ATOM 300 O4' C A 10 -8.336 8.075 16.721 1.00 0.00 O ATOM 301 C3' C A 10 -9.105 8.690 18.850 1.00 0.00 C ATOM 302 O3' C A 10 -10.046 9.556 19.497 1.00 0.00 O ATOM 303 C2' C A 10 -9.732 7.355 18.488 1.00 0.00 C ATOM 304 O2' C A 10 -11.113 7.507 18.137 1.00 0.00 O ATOM 305 C1' C A 10 -8.905 6.886 17.292 1.00 0.00 C ATOM 306 N1 C A 10 -7.849 5.929 17.699 1.00 0.00 N ATOM 307 C2 C A 10 -8.195 4.943 18.614 1.00 0.00 C ATOM 308 O2 C A 10 -9.339 4.888 19.062 1.00 0.00 O ATOM 309 N3 C A 10 -7.243 4.045 18.988 1.00 0.00 N ATOM 310 C4 C A 10 -6.004 4.104 18.487 1.00 0.00 C ATOM 311 N4 C A 10 -5.113 3.182 18.854 1.00 0.00 N ATOM 312 C5 C A 10 -5.638 5.118 17.544 1.00 0.00 C ATOM 313 C6 C A 10 -6.586 6.006 17.180 1.00 0.00 C ATOM 0 H5' C A 10 -7.209 10.523 16.612 1.00 0.00 H new ATOM 0 H5'' C A 10 -7.845 11.100 18.140 1.00 0.00 H new ATOM 0 H4' C A 10 -9.496 9.798 17.015 1.00 0.00 H new ATOM 0 H3' C A 10 -8.278 8.606 19.555 1.00 0.00 H new ATOM 0 H2' C A 10 -9.722 6.645 19.315 1.00 0.00 H new ATOM 0 HO2' C A 10 -11.493 8.267 18.625 1.00 0.00 H new ATOM 0 HO3' C A 10 -10.292 9.180 20.368 1.00 0.00 H new ATOM 0 H1' C A 10 -9.524 6.352 16.571 1.00 0.00 H new ATOM 0 H41 C A 10 -4.164 3.213 18.481 1.00 0.00 H new ATOM 0 H42 C A 10 -5.380 2.446 19.508 1.00 0.00 H new ATOM 0 H5 C A 10 -4.638 5.170 17.139 1.00 0.00 H new ATOM 0 H6 C A 10 -6.345 6.785 16.472 1.00 0.00 H new TER 326 C A 10 END