USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 143 hydrogens (0 hets) HEADER RNA 10-APR-00 1ESH TITLE THE SOLUTION STRUCTURE OF THE STEM LOOP C 5'AUA3' TRILOOP TITLE 2 OF BROME MOSAIC VIRUS (+) STRAND RNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA (5'- COMPND 3 R(*GP*GP*UP*GP*CP*AP*UP*AP*GP*CP*AP*CP*C)-3'); COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SEQUENCE OCCURS NATURALLY IN BROME MOSAIC SOURCE 4 VIRUS EXCEPT FOR THE TERMINAL TWO GC BPS KEYWDS RNA, TRILOOP, STEM-LOOP, BROME MOSAIC VIRUS EXPDTA SOLUTION NMR AUTHOR C.-H.KIM,C.C.KAO,I.TINOCO JR. REVDAT 3 24-FEB-09 1ESH 1 VERSN REVDAT 2 01-APR-03 1ESH 1 JRNL REVDAT 1 24-APR-00 1ESH 0 JRNL AUTH C.H.KIM,C.C.KAO,I.TINOCO JR. JRNL TITL RNA MOTIFS THAT DETERMINE SPECIFICITY BETWEEN A JRNL TITL 2 VIRAL REPLICASE AND ITS PROMOTER. JRNL REF NAT.STRUCT.BIOL. V. 7 415 2000 JRNL REFN ISSN 1072-8368 JRNL PMID 10802741 JRNL DOI 10.1038/75202 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : A.T.BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1ESH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-APR-00. REMARK 100 THE RCSB ID CODE IS RCSB010854. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 50MM NACL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : RNA IN AQUEOUS SOLUTION REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : H2ONOESY, D2ONOESY, HCCH-TO REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX, AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : RMD WITH SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 22 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE SUBMITTED STRUCTURE IS THE AVERAGE AND ENERGY REMARK 210 MINIMIZED 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. DBREF 1ESH A 1 13 PDB 1ESH 1ESH 1 13 SEQRES 1 A 13 G G U G C A U A G C A 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 -128:sc= -0.389 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0331 USER MOD Single : A 2 G O2' : rot -19:sc= 0.375 USER MOD Single : A 3 U O2' : rot -20:sc= 0.391 USER MOD Single : A 4 G O2' : rot -14:sc= 0.404 USER MOD Single : A 5 C O2' : rot -11:sc= 0.58 USER MOD Single : A 6 A O2' : rot -20:sc= 0.21 USER MOD Single : A 7 U O2' : rot 180:sc= -0.0383 USER MOD Single : A 8 A O2' : rot 42:sc= 0.285 USER MOD Single : A 9 G O2' : rot 98:sc= -1.04 USER MOD Single : A 10 C O2' : rot -5:sc= -0.684 USER MOD Single : A 11 A O2' : rot -11:sc= 0.456 USER MOD Single : A 12 C O2' : rot -8:sc= -0.0905 USER MOD Single : A 13 C O2' : rot -31:sc= 0.249 USER MOD Single : A 13 C O3' : rot 180:sc= 0.226 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -7.518 -10.357 -2.027 1.00 1.62 O ATOM 2 C5' G A 1 -8.893 -10.184 -1.675 1.00 1.55 C ATOM 3 C4' G A 1 -9.129 -8.851 -0.973 1.00 1.36 C ATOM 4 O4' G A 1 -8.480 -8.866 0.294 1.00 1.37 O ATOM 5 C3' G A 1 -8.526 -7.647 -1.672 1.00 1.21 C ATOM 6 O3' G A 1 -9.541 -7.103 -2.520 1.00 1.06 O ATOM 7 C2' G A 1 -8.305 -6.644 -0.544 1.00 1.14 C ATOM 8 O2' G A 1 -9.453 -5.805 -0.393 1.00 1.22 O ATOM 9 C1' G A 1 -8.129 -7.534 0.692 1.00 1.23 C ATOM 10 N9 G A 1 -6.736 -7.540 1.176 1.00 1.17 N ATOM 11 C8 G A 1 -5.820 -8.559 1.134 1.00 1.31 C ATOM 12 N7 G A 1 -4.663 -8.245 1.646 1.00 1.23 N ATOM 13 C5 G A 1 -4.823 -6.926 2.057 1.00 1.02 C ATOM 14 C6 G A 1 -3.899 -6.049 2.687 1.00 0.88 C ATOM 15 O6 G A 1 -2.734 -6.273 3.011 1.00 0.92 O ATOM 16 N1 G A 1 -4.460 -4.806 2.932 1.00 0.71 N ATOM 17 C2 G A 1 -5.750 -4.445 2.612 1.00 0.69 C ATOM 18 N2 G A 1 -6.123 -3.202 2.919 1.00 0.59 N ATOM 19 N3 G A 1 -6.626 -5.261 2.020 1.00 0.83 N ATOM 20 C4 G A 1 -6.093 -6.483 1.773 1.00 0.98 C ATOM 0 H5' G A 1 -9.208 -11.000 -1.024 1.00 1.55 H new ATOM 0 H5'' G A 1 -9.509 -10.237 -2.573 1.00 1.55 H new ATOM 0 H4' G A 1 -10.214 -8.753 -0.940 1.00 1.36 H new ATOM 0 H3' G A 1 -7.625 -7.876 -2.241 1.00 1.21 H new ATOM 0 H2' G A 1 -7.457 -5.981 -0.719 1.00 1.14 H new ATOM 0 HO2' G A 1 -9.176 -4.865 -0.412 1.00 1.22 H new ATOM 0 HO5' G A 1 -7.401 -11.222 -2.473 1.00 1.62 H new ATOM 0 H1' G A 1 -8.755 -7.157 1.501 1.00 1.23 H new ATOM 0 H8 G A 1 -6.037 -9.531 0.716 1.00 1.31 H new ATOM 0 H1 G A 1 -3.873 -4.105 3.384 1.00 0.71 H new ATOM 0 H21 G A 1 -7.068 -2.885 2.703 1.00 0.59 H new ATOM 0 H22 G A 1 -5.463 -2.568 3.370 1.00 0.59 H new ATOM 33 P G A 2 -9.190 -5.932 -3.569 1.00 1.01 P ATOM 34 OP1 G A 2 -10.330 -5.792 -4.504 1.00 1.02 O ATOM 35 OP2 G A 2 -7.829 -6.175 -4.097 1.00 1.21 O ATOM 36 O5' G A 2 -9.141 -4.621 -2.634 1.00 0.80 O ATOM 37 C5' G A 2 -10.322 -3.846 -2.409 1.00 0.74 C ATOM 38 C4' G A 2 -10.015 -2.553 -1.660 1.00 0.63 C ATOM 39 O4' G A 2 -9.209 -2.848 -0.513 1.00 0.57 O ATOM 40 C3' G A 2 -9.188 -1.542 -2.435 1.00 0.61 C ATOM 41 O3' G A 2 -10.098 -0.675 -3.118 1.00 0.67 O ATOM 42 C2' G A 2 -8.538 -0.727 -1.330 1.00 0.53 C ATOM 43 O2' G A 2 -9.454 0.243 -0.815 1.00 0.56 O ATOM 44 C1' G A 2 -8.248 -1.801 -0.283 1.00 0.49 C ATOM 45 N9 G A 2 -6.891 -2.363 -0.423 1.00 0.46 N ATOM 46 C8 G A 2 -6.479 -3.426 -1.185 1.00 0.55 C ATOM 47 N7 G A 2 -5.203 -3.676 -1.089 1.00 0.49 N ATOM 48 C5 G A 2 -4.736 -2.711 -0.203 1.00 0.36 C ATOM 49 C6 G A 2 -3.421 -2.484 0.287 1.00 0.29 C ATOM 50 O6 G A 2 -2.392 -3.104 0.027 1.00 0.31 O ATOM 51 N1 G A 2 -3.380 -1.409 1.162 1.00 0.26 N ATOM 52 C2 G A 2 -4.465 -0.644 1.525 1.00 0.27 C ATOM 53 N2 G A 2 -4.242 0.359 2.375 1.00 0.34 N ATOM 54 N3 G A 2 -5.706 -0.850 1.071 1.00 0.29 N ATOM 55 C4 G A 2 -5.764 -1.899 0.213 1.00 0.34 C ATOM 0 H5' G A 2 -11.040 -4.435 -1.839 1.00 0.74 H new ATOM 0 H5'' G A 2 -10.790 -3.610 -3.365 1.00 0.74 H new ATOM 0 H4' G A 2 -10.997 -2.133 -1.443 1.00 0.63 H new ATOM 0 H3' G A 2 -8.487 -1.986 -3.142 1.00 0.61 H new ATOM 0 H2' G A 2 -7.659 -0.166 -1.648 1.00 0.53 H new ATOM 0 HO2' G A 2 -10.180 0.381 -1.459 1.00 0.56 H new ATOM 0 H1' G A 2 -8.314 -1.370 0.716 1.00 0.49 H new ATOM 0 H8 G A 2 -7.149 -4.002 -1.806 1.00 0.55 H new ATOM 0 H1 G A 2 -2.476 -1.167 1.568 1.00 0.26 H new ATOM 0 H21 G A 2 -5.014 0.955 2.674 1.00 0.34 H new ATOM 0 H22 G A 2 -3.300 0.530 2.726 1.00 0.34 H new ATOM 67 P U A 3 -9.609 0.180 -4.393 1.00 0.75 P ATOM 68 OP1 U A 3 -10.701 1.103 -4.777 1.00 0.81 O ATOM 69 OP2 U A 3 -9.050 -0.757 -5.392 1.00 0.87 O ATOM 70 O5' U A 3 -8.398 1.055 -3.791 1.00 0.64 O ATOM 71 C5' U A 3 -8.639 2.372 -3.287 1.00 0.57 C ATOM 72 C4' U A 3 -7.527 2.828 -2.341 1.00 0.54 C ATOM 73 O4' U A 3 -6.967 1.691 -1.682 1.00 0.52 O ATOM 74 C3' U A 3 -6.326 3.463 -3.013 1.00 0.59 C ATOM 75 O3' U A 3 -6.588 4.864 -3.121 1.00 0.63 O ATOM 76 C2' U A 3 -5.235 3.288 -1.968 1.00 0.58 C ATOM 77 O2' U A 3 -5.322 4.314 -0.975 1.00 0.59 O ATOM 78 C1' U A 3 -5.583 1.928 -1.363 1.00 0.53 C ATOM 79 N1 U A 3 -4.762 0.837 -1.940 1.00 0.54 N ATOM 80 C2 U A 3 -3.522 0.595 -1.371 1.00 0.50 C ATOM 81 O2 U A 3 -3.093 1.250 -0.424 1.00 0.51 O ATOM 82 N3 U A 3 -2.786 -0.429 -1.934 1.00 0.51 N ATOM 83 C4 U A 3 -3.172 -1.221 -2.997 1.00 0.59 C ATOM 84 O4 U A 3 -2.425 -2.109 -3.405 1.00 0.61 O ATOM 85 C5 U A 3 -4.476 -0.909 -3.538 1.00 0.68 C ATOM 86 C6 U A 3 -5.216 0.094 -3.000 1.00 0.65 C ATOM 0 H5' U A 3 -9.594 2.392 -2.762 1.00 0.57 H new ATOM 0 H5'' U A 3 -8.718 3.071 -4.119 1.00 0.57 H new ATOM 0 H4' U A 3 -8.019 3.555 -1.695 1.00 0.54 H new ATOM 0 H3' U A 3 -6.086 3.049 -3.992 1.00 0.59 H new ATOM 0 H2' U A 3 -4.225 3.346 -2.373 1.00 0.58 H new ATOM 0 HO2' U A 3 -5.838 5.068 -1.328 1.00 0.59 H new ATOM 0 H1' U A 3 -5.392 1.940 -0.290 1.00 0.53 H new ATOM 0 H3 U A 3 -1.871 -0.618 -1.526 1.00 0.51 H new ATOM 0 H5 U A 3 -4.862 -1.475 -4.372 1.00 0.68 H new ATOM 0 H6 U A 3 -6.188 0.313 -3.418 1.00 0.65 H new ATOM 97 P G A 4 -5.975 5.716 -4.343 1.00 0.59 P ATOM 98 OP1 G A 4 -6.694 7.008 -4.413 1.00 0.65 O ATOM 99 OP2 G A 4 -5.916 4.839 -5.534 1.00 0.63 O ATOM 100 O5' G A 4 -4.468 6.004 -3.853 1.00 0.55 O ATOM 101 C5' G A 4 -4.180 7.128 -3.017 1.00 0.59 C ATOM 102 C4' G A 4 -2.705 7.183 -2.630 1.00 0.56 C ATOM 103 O4' G A 4 -2.320 5.929 -2.057 1.00 0.57 O ATOM 104 C3' G A 4 -1.743 7.370 -3.790 1.00 0.47 C ATOM 105 O3' G A 4 -1.512 8.774 -3.928 1.00 0.54 O ATOM 106 C2' G A 4 -0.455 6.755 -3.268 1.00 0.49 C ATOM 107 O2' G A 4 0.245 7.686 -2.438 1.00 0.62 O ATOM 108 C1' G A 4 -0.977 5.583 -2.436 1.00 0.51 C ATOM 109 N9 G A 4 -1.011 4.323 -3.203 1.00 0.42 N ATOM 110 C8 G A 4 -2.043 3.794 -3.935 1.00 0.40 C ATOM 111 N7 G A 4 -1.759 2.648 -4.488 1.00 0.39 N ATOM 112 C5 G A 4 -0.448 2.401 -4.097 1.00 0.36 C ATOM 113 C6 G A 4 0.401 1.300 -4.394 1.00 0.36 C ATOM 114 O6 G A 4 0.152 0.307 -5.074 1.00 0.40 O ATOM 115 N1 G A 4 1.646 1.442 -3.804 1.00 0.34 N ATOM 116 C2 G A 4 2.036 2.508 -3.024 1.00 0.37 C ATOM 117 N2 G A 4 3.281 2.488 -2.546 1.00 0.40 N ATOM 118 N3 G A 4 1.246 3.546 -2.738 1.00 0.40 N ATOM 119 C4 G A 4 0.022 3.424 -3.308 1.00 0.38 C ATOM 0 H5' G A 4 -4.791 7.076 -2.116 1.00 0.59 H new ATOM 0 H5'' G A 4 -4.454 8.047 -3.536 1.00 0.59 H new ATOM 0 H4' G A 4 -2.635 8.040 -1.960 1.00 0.56 H new ATOM 0 H3' G A 4 -2.093 6.947 -4.732 1.00 0.47 H new ATOM 0 H2' G A 4 0.246 6.465 -4.051 1.00 0.49 H new ATOM 0 HO2' G A 4 -0.135 8.581 -2.558 1.00 0.62 H new ATOM 0 H1' G A 4 -0.320 5.420 -1.582 1.00 0.51 H new ATOM 0 H8 G A 4 -3.001 4.281 -4.043 1.00 0.40 H new ATOM 0 H1 G A 4 2.327 0.699 -3.959 1.00 0.34 H new ATOM 0 H21 G A 4 3.616 3.255 -1.963 1.00 0.40 H new ATOM 0 H22 G A 4 3.898 1.705 -2.763 1.00 0.40 H new ATOM 131 P C A 5 -1.196 9.415 -5.372 1.00 0.53 P ATOM 132 OP1 C A 5 -0.630 10.767 -5.163 1.00 0.68 O ATOM 133 OP2 C A 5 -2.390 9.239 -6.227 1.00 0.43 O ATOM 134 O5' C A 5 -0.027 8.462 -5.935 1.00 0.52 O ATOM 135 C5' C A 5 1.344 8.753 -5.653 1.00 0.61 C ATOM 136 C4' C A 5 2.236 7.532 -5.873 1.00 0.55 C ATOM 137 O4' C A 5 1.510 6.353 -5.555 1.00 0.46 O ATOM 138 C3' C A 5 2.656 7.291 -7.309 1.00 0.52 C ATOM 139 O3' C A 5 3.884 7.991 -7.520 1.00 0.65 O ATOM 140 C2' C A 5 2.976 5.798 -7.344 1.00 0.43 C ATOM 141 O2' C A 5 4.365 5.581 -7.087 1.00 0.51 O ATOM 142 C1' C A 5 2.125 5.230 -6.198 1.00 0.36 C ATOM 143 N1 C A 5 1.078 4.305 -6.679 1.00 0.25 N ATOM 144 C2 C A 5 1.497 3.106 -7.235 1.00 0.21 C ATOM 145 O2 C A 5 2.697 2.858 -7.337 1.00 0.24 O ATOM 146 N3 C A 5 0.557 2.217 -7.660 1.00 0.24 N ATOM 147 C4 C A 5 -0.749 2.496 -7.545 1.00 0.27 C ATOM 148 N4 C A 5 -1.622 1.581 -7.968 1.00 0.38 N ATOM 149 C5 C A 5 -1.189 3.731 -6.976 1.00 0.25 C ATOM 150 C6 C A 5 -0.250 4.602 -6.560 1.00 0.26 C ATOM 0 H5' C A 5 1.440 9.093 -4.622 1.00 0.61 H new ATOM 0 H5'' C A 5 1.681 9.570 -6.290 1.00 0.61 H new ATOM 0 H4' C A 5 3.110 7.735 -5.254 1.00 0.55 H new ATOM 0 H3' C A 5 1.910 7.601 -8.041 1.00 0.52 H new ATOM 0 H2' C A 5 2.764 5.335 -8.308 1.00 0.43 H new ATOM 0 HO2' C A 5 4.841 6.437 -7.121 1.00 0.51 H new ATOM 0 H1' C A 5 2.759 4.657 -5.522 1.00 0.36 H new ATOM 0 H41 C A 5 -2.624 1.760 -7.896 1.00 0.38 H new ATOM 0 H42 C A 5 -1.288 0.702 -8.364 1.00 0.38 H new ATOM 0 H5 C A 5 -2.241 3.958 -6.883 1.00 0.25 H new ATOM 0 H6 C A 5 -0.550 5.545 -6.128 1.00 0.26 H new ATOM 162 P A A 6 4.110 8.825 -8.878 1.00 0.89 P ATOM 163 OP1 A A 6 4.991 8.035 -9.767 1.00 1.73 O ATOM 164 OP2 A A 6 4.476 10.213 -8.516 1.00 1.58 O ATOM 165 O5' A A 6 2.631 8.843 -9.517 1.00 0.96 O ATOM 166 C5' A A 6 2.358 8.170 -10.748 1.00 0.71 C ATOM 167 C4' A A 6 2.415 6.652 -10.595 1.00 0.57 C ATOM 168 O4' A A 6 1.506 6.242 -9.561 1.00 0.44 O ATOM 169 C3' A A 6 1.978 5.883 -11.834 1.00 0.60 C ATOM 170 O3' A A 6 2.684 4.637 -11.828 1.00 0.61 O ATOM 171 C2' A A 6 0.514 5.572 -11.576 1.00 0.51 C ATOM 172 O2' A A 6 0.119 4.387 -12.267 1.00 0.56 O ATOM 173 C1' A A 6 0.517 5.340 -10.075 1.00 0.39 C ATOM 174 N9 A A 6 -0.778 5.666 -9.457 1.00 0.35 N ATOM 175 C8 A A 6 -1.092 6.738 -8.671 1.00 0.36 C ATOM 176 N7 A A 6 -2.337 6.757 -8.282 1.00 0.38 N ATOM 177 C5 A A 6 -2.880 5.613 -8.856 1.00 0.41 C ATOM 178 C6 A A 6 -4.167 5.052 -8.830 1.00 0.51 C ATOM 179 N6 A A 6 -5.194 5.592 -8.175 1.00 0.58 N ATOM 180 N1 A A 6 -4.364 3.909 -9.507 1.00 0.59 N ATOM 181 C2 A A 6 -3.347 3.365 -10.165 1.00 0.56 C ATOM 182 N3 A A 6 -2.098 3.792 -10.268 1.00 0.46 N ATOM 183 C4 A A 6 -1.936 4.939 -9.576 1.00 0.39 C ATOM 0 H5' A A 6 3.080 8.486 -11.502 1.00 0.71 H new ATOM 0 H5'' A A 6 1.372 8.461 -11.109 1.00 0.71 H new ATOM 0 H4' A A 6 3.461 6.429 -10.383 1.00 0.57 H new ATOM 0 H3' A A 6 2.152 6.421 -12.766 1.00 0.60 H new ATOM 0 H2' A A 6 -0.174 6.349 -11.910 1.00 0.51 H new ATOM 0 HO2' A A 6 0.749 4.208 -12.996 1.00 0.56 H new ATOM 0 H1' A A 6 0.718 4.291 -9.856 1.00 0.39 H new ATOM 0 H8 A A 6 -0.376 7.499 -8.397 1.00 0.36 H new ATOM 0 H61 A A 6 -6.107 5.137 -8.193 1.00 0.58 H new ATOM 0 H62 A A 6 -5.067 6.460 -7.655 1.00 0.58 H new ATOM 0 H2 A A 6 -3.569 2.447 -10.689 1.00 0.56 H new ATOM 195 P U A 7 4.265 4.588 -12.132 1.00 0.82 P ATOM 196 OP1 U A 7 4.988 4.666 -10.843 1.00 0.96 O ATOM 197 OP2 U A 7 4.560 5.565 -13.204 1.00 1.16 O ATOM 198 O5' U A 7 4.461 3.105 -12.731 1.00 0.98 O ATOM 199 C5' U A 7 4.758 1.998 -11.872 1.00 0.70 C ATOM 200 C4' U A 7 4.015 0.738 -12.307 1.00 0.65 C ATOM 201 O4' U A 7 2.639 1.064 -12.522 1.00 0.59 O ATOM 202 C3' U A 7 4.507 0.127 -13.614 1.00 0.84 C ATOM 203 O3' U A 7 4.400 -1.293 -13.476 1.00 0.86 O ATOM 204 C2' U A 7 3.485 0.565 -14.652 1.00 0.91 C ATOM 205 O2' U A 7 3.342 -0.433 -15.667 1.00 1.08 O ATOM 206 C1' U A 7 2.212 0.673 -13.826 1.00 0.75 C ATOM 207 N1 U A 7 1.310 1.728 -14.345 1.00 0.78 N ATOM 208 C2 U A 7 0.093 1.352 -14.896 1.00 0.86 C ATOM 209 O2 U A 7 -0.263 0.178 -14.970 1.00 0.92 O ATOM 210 N3 U A 7 -0.703 2.381 -15.361 1.00 0.91 N ATOM 211 C4 U A 7 -0.395 3.728 -15.326 1.00 0.89 C ATOM 212 O4 U A 7 -1.189 4.553 -15.774 1.00 0.96 O ATOM 213 C5 U A 7 0.889 4.038 -14.738 1.00 0.82 C ATOM 214 C6 U A 7 1.684 3.042 -14.277 1.00 0.78 C ATOM 0 H5' U A 7 4.484 2.248 -10.847 1.00 0.70 H new ATOM 0 H5'' U A 7 5.831 1.809 -11.878 1.00 0.70 H new ATOM 0 H4' U A 7 4.184 0.016 -11.508 1.00 0.65 H new ATOM 0 H3' U A 7 5.526 0.416 -13.873 1.00 0.84 H new ATOM 0 H2' U A 7 3.752 1.486 -15.171 1.00 0.91 H new ATOM 0 HO2' U A 7 2.680 -0.137 -16.326 1.00 1.08 H new ATOM 0 H1' U A 7 1.668 -0.271 -13.847 1.00 0.75 H new ATOM 0 H3 U A 7 -1.602 2.123 -15.768 1.00 0.91 H new ATOM 0 H5 U A 7 1.215 5.065 -14.666 1.00 0.82 H new ATOM 0 H6 U A 7 2.641 3.293 -13.843 1.00 0.78 H new ATOM 225 P A A 8 5.436 -2.264 -14.235 1.00 0.93 P ATOM 226 OP1 A A 8 6.325 -1.427 -15.071 1.00 1.12 O ATOM 227 OP2 A A 8 4.665 -3.364 -14.855 1.00 1.06 O ATOM 228 O5' A A 8 6.315 -2.883 -13.029 1.00 0.99 O ATOM 229 C5' A A 8 6.051 -2.545 -11.660 1.00 0.64 C ATOM 230 C4' A A 8 4.897 -3.370 -11.085 1.00 0.53 C ATOM 231 O4' A A 8 3.811 -2.497 -10.761 1.00 0.45 O ATOM 232 C3' A A 8 4.309 -4.401 -12.058 1.00 0.69 C ATOM 233 O3' A A 8 4.142 -5.614 -11.320 1.00 0.72 O ATOM 234 C2' A A 8 2.914 -3.889 -12.384 1.00 0.72 C ATOM 235 O2' A A 8 2.003 -4.978 -12.562 1.00 0.87 O ATOM 236 C1' A A 8 2.590 -3.122 -11.127 1.00 0.57 C ATOM 237 N9 A A 8 1.563 -2.107 -11.317 1.00 0.59 N ATOM 238 C8 A A 8 0.407 -2.175 -12.031 1.00 0.76 C ATOM 239 N7 A A 8 -0.272 -1.058 -12.033 1.00 0.76 N ATOM 240 C5 A A 8 0.512 -0.208 -11.259 1.00 0.59 C ATOM 241 C6 A A 8 0.375 1.127 -10.857 1.00 0.55 C ATOM 242 N6 A A 8 -0.657 1.899 -11.195 1.00 0.65 N ATOM 243 N1 A A 8 1.350 1.644 -10.088 1.00 0.48 N ATOM 244 C2 A A 8 2.378 0.869 -9.755 1.00 0.42 C ATOM 245 N3 A A 8 2.611 -0.376 -10.068 1.00 0.40 N ATOM 246 C4 A A 8 1.628 -0.853 -10.828 1.00 0.50 C ATOM 0 H5' A A 8 5.812 -1.484 -11.587 1.00 0.64 H new ATOM 0 H5'' A A 8 6.949 -2.711 -11.065 1.00 0.64 H new ATOM 0 H4' A A 8 5.322 -3.892 -10.228 1.00 0.53 H new ATOM 0 H3' A A 8 4.925 -4.552 -12.944 1.00 0.69 H new ATOM 0 H2' A A 8 2.849 -3.304 -13.301 1.00 0.72 H new ATOM 0 HO2' A A 8 2.166 -5.657 -11.874 1.00 0.87 H new ATOM 0 H1' A A 8 2.193 -3.797 -10.369 1.00 0.57 H new ATOM 0 H8 A A 8 0.082 -3.066 -12.547 1.00 0.76 H new ATOM 0 H61 A A 8 -0.699 2.865 -10.870 1.00 0.65 H new ATOM 0 H62 A A 8 -1.405 1.524 -11.779 1.00 0.65 H new ATOM 0 H2 A A 8 3.129 1.338 -9.136 1.00 0.42 H new ATOM 258 P G A 9 4.557 -7.030 -11.962 1.00 1.20 P ATOM 259 OP1 G A 9 5.775 -6.830 -12.780 1.00 1.83 O ATOM 260 OP2 G A 9 3.350 -7.634 -12.569 1.00 2.17 O ATOM 261 O5' G A 9 4.955 -7.896 -10.664 1.00 0.80 O ATOM 262 C5' G A 9 4.227 -7.751 -9.441 1.00 0.75 C ATOM 263 C4' G A 9 4.867 -6.699 -8.529 1.00 0.61 C ATOM 264 O4' G A 9 4.199 -5.441 -8.729 1.00 0.54 O ATOM 265 C3' G A 9 4.760 -6.974 -7.024 1.00 0.64 C ATOM 266 O3' G A 9 5.936 -6.431 -6.421 1.00 0.57 O ATOM 267 C2' G A 9 3.596 -6.109 -6.569 1.00 0.65 C ATOM 268 O2' G A 9 3.754 -5.730 -5.200 1.00 0.70 O ATOM 269 C1' G A 9 3.745 -4.903 -7.481 1.00 0.52 C ATOM 270 N9 G A 9 2.468 -4.195 -7.691 1.00 0.54 N ATOM 271 C8 G A 9 1.273 -4.699 -8.132 1.00 0.67 C ATOM 272 N7 G A 9 0.321 -3.812 -8.198 1.00 0.67 N ATOM 273 C5 G A 9 0.928 -2.636 -7.772 1.00 0.52 C ATOM 274 C6 G A 9 0.386 -1.330 -7.634 1.00 0.46 C ATOM 275 O6 G A 9 -0.758 -0.950 -7.870 1.00 0.53 O ATOM 276 N1 G A 9 1.334 -0.431 -7.174 1.00 0.35 N ATOM 277 C2 G A 9 2.643 -0.742 -6.882 1.00 0.30 C ATOM 278 N2 G A 9 3.419 0.253 -6.448 1.00 0.30 N ATOM 279 N3 G A 9 3.162 -1.965 -7.009 1.00 0.34 N ATOM 280 C4 G A 9 2.246 -2.859 -7.458 1.00 0.44 C ATOM 0 H5' G A 9 4.189 -8.709 -8.923 1.00 0.75 H new ATOM 0 H5'' G A 9 3.198 -7.467 -9.660 1.00 0.75 H new ATOM 0 H4' G A 9 5.922 -6.709 -8.803 1.00 0.61 H new ATOM 0 H3' G A 9 4.641 -8.030 -6.781 1.00 0.64 H new ATOM 0 H2' G A 9 2.624 -6.598 -6.627 1.00 0.65 H new ATOM 0 HO2' G A 9 4.141 -4.831 -5.152 1.00 0.70 H new ATOM 0 H1' G A 9 4.428 -4.175 -7.045 1.00 0.52 H new ATOM 0 H8 G A 9 1.133 -5.736 -8.400 1.00 0.67 H new ATOM 0 H1 G A 9 1.039 0.536 -7.041 1.00 0.35 H new ATOM 0 H21 G A 9 4.397 0.074 -6.218 1.00 0.30 H new ATOM 0 H22 G A 9 3.035 1.192 -6.346 1.00 0.30 H new ATOM 292 P C A 10 6.383 -6.892 -4.945 1.00 0.67 P ATOM 293 OP1 C A 10 7.605 -7.718 -5.068 1.00 0.79 O ATOM 294 OP2 C A 10 5.193 -7.432 -4.248 1.00 0.78 O ATOM 295 O5' C A 10 6.786 -5.498 -4.249 1.00 0.56 O ATOM 296 C5' C A 10 8.147 -5.058 -4.247 1.00 0.57 C ATOM 297 C4' C A 10 8.274 -3.618 -3.761 1.00 0.50 C ATOM 298 O4' C A 10 7.510 -2.759 -4.614 1.00 0.44 O ATOM 299 C3' C A 10 7.705 -3.355 -2.379 1.00 0.47 C ATOM 300 O3' C A 10 8.760 -3.556 -1.438 1.00 0.53 O ATOM 301 C2' C A 10 7.407 -1.866 -2.422 1.00 0.43 C ATOM 302 O2' C A 10 8.600 -1.107 -2.209 1.00 0.48 O ATOM 303 C1' C A 10 6.907 -1.692 -3.857 1.00 0.40 C ATOM 304 N1 C A 10 5.432 -1.819 -3.955 1.00 0.36 N ATOM 305 C2 C A 10 4.670 -0.654 -3.966 1.00 0.33 C ATOM 306 O2 C A 10 5.217 0.445 -3.901 1.00 0.35 O ATOM 307 N3 C A 10 3.315 -0.761 -4.043 1.00 0.30 N ATOM 308 C4 C A 10 2.725 -1.959 -4.103 1.00 0.31 C ATOM 309 N4 C A 10 1.396 -1.995 -4.188 1.00 0.30 N ATOM 310 C5 C A 10 3.499 -3.160 -4.088 1.00 0.37 C ATOM 311 C6 C A 10 4.838 -3.046 -4.017 1.00 0.39 C ATOM 0 H5' C A 10 8.557 -5.140 -5.254 1.00 0.57 H new ATOM 0 H5'' C A 10 8.740 -5.712 -3.607 1.00 0.57 H new ATOM 0 H4' C A 10 9.348 -3.433 -3.757 1.00 0.50 H new ATOM 0 H3' C A 10 6.849 -3.977 -2.118 1.00 0.47 H new ATOM 0 H2' C A 10 6.703 -1.530 -1.661 1.00 0.43 H new ATOM 0 HO2' C A 10 9.342 -1.714 -2.008 1.00 0.48 H new ATOM 0 H1' C A 10 7.170 -0.699 -4.223 1.00 0.40 H new ATOM 0 H41 C A 10 0.912 -2.892 -4.236 1.00 0.30 H new ATOM 0 H42 C A 10 0.862 -1.126 -4.205 1.00 0.30 H new ATOM 0 H5 C A 10 3.024 -4.129 -4.132 1.00 0.37 H new ATOM 0 H6 C A 10 5.450 -3.936 -4.009 1.00 0.39 H new ATOM 323 P A A 11 8.432 -4.097 0.042 1.00 0.50 P ATOM 324 OP1 A A 11 9.694 -4.133 0.815 1.00 0.53 O ATOM 325 OP2 A A 11 7.606 -5.319 -0.083 1.00 0.52 O ATOM 326 O5' A A 11 7.508 -2.923 0.638 1.00 0.45 O ATOM 327 C5' A A 11 8.047 -1.614 0.829 1.00 0.45 C ATOM 328 C4' A A 11 6.953 -0.554 0.898 1.00 0.47 C ATOM 329 O4' A A 11 6.175 -0.588 -0.299 1.00 0.53 O ATOM 330 C3' A A 11 5.923 -0.755 1.990 1.00 0.41 C ATOM 331 O3' A A 11 6.407 -0.087 3.159 1.00 0.45 O ATOM 332 C2' A A 11 4.732 0.044 1.481 1.00 0.49 C ATOM 333 O2' A A 11 4.852 1.420 1.853 1.00 0.61 O ATOM 334 C1' A A 11 4.842 -0.116 -0.036 1.00 0.53 C ATOM 335 N9 A A 11 3.856 -1.083 -0.553 1.00 0.49 N ATOM 336 C8 A A 11 4.017 -2.412 -0.856 1.00 0.48 C ATOM 337 N7 A A 11 2.920 -2.989 -1.270 1.00 0.47 N ATOM 338 C5 A A 11 1.974 -1.968 -1.236 1.00 0.47 C ATOM 339 C6 A A 11 0.606 -1.922 -1.554 1.00 0.47 C ATOM 340 N6 A A 11 -0.086 -2.972 -1.998 1.00 0.48 N ATOM 341 N1 A A 11 -0.031 -0.748 -1.406 1.00 0.48 N ATOM 342 C2 A A 11 0.650 0.305 -0.971 1.00 0.50 C ATOM 343 N3 A A 11 1.928 0.390 -0.640 1.00 0.50 N ATOM 344 C4 A A 11 2.536 -0.804 -0.801 1.00 0.48 C ATOM 0 H5' A A 11 8.729 -1.379 0.012 1.00 0.45 H new ATOM 0 H5'' A A 11 8.632 -1.593 1.749 1.00 0.45 H new ATOM 0 H4' A A 11 7.504 0.370 1.074 1.00 0.47 H new ATOM 0 H3' A A 11 5.704 -1.800 2.211 1.00 0.41 H new ATOM 0 H2' A A 11 3.778 -0.294 1.885 1.00 0.49 H new ATOM 0 HO2' A A 11 5.582 1.522 2.499 1.00 0.61 H new ATOM 0 H1' A A 11 4.641 0.834 -0.531 1.00 0.53 H new ATOM 0 H8 A A 11 4.959 -2.931 -0.761 1.00 0.48 H new ATOM 0 H61 A A 11 -1.079 -2.875 -2.212 1.00 0.48 H new ATOM 0 H62 A A 11 0.377 -3.872 -2.124 1.00 0.48 H new ATOM 0 H2 A A 11 0.082 1.219 -0.874 1.00 0.50 H new ATOM 356 P C A 12 5.776 -0.411 4.605 1.00 0.48 P ATOM 357 OP1 C A 12 6.674 0.154 5.638 1.00 0.58 O ATOM 358 OP2 C A 12 5.418 -1.846 4.644 1.00 0.44 O ATOM 359 O5' C A 12 4.412 0.448 4.598 1.00 0.58 O ATOM 360 C5' C A 12 4.349 1.714 5.260 1.00 0.72 C ATOM 361 C4' C A 12 2.958 2.336 5.165 1.00 0.77 C ATOM 362 O4' C A 12 2.447 2.156 3.841 1.00 0.72 O ATOM 363 C3' C A 12 1.905 1.694 6.048 1.00 0.75 C ATOM 364 O3' C A 12 1.906 2.397 7.293 1.00 0.94 O ATOM 365 C2' C A 12 0.607 2.042 5.336 1.00 0.75 C ATOM 366 O2' C A 12 0.192 3.370 5.664 1.00 0.95 O ATOM 367 C1' C A 12 1.021 1.956 3.865 1.00 0.66 C ATOM 368 N1 C A 12 0.721 0.629 3.280 1.00 0.47 N ATOM 369 C2 C A 12 -0.513 0.446 2.665 1.00 0.40 C ATOM 370 O2 C A 12 -1.323 1.369 2.615 1.00 0.51 O ATOM 371 N3 C A 12 -0.800 -0.771 2.128 1.00 0.29 N ATOM 372 C4 C A 12 0.087 -1.773 2.189 1.00 0.32 C ATOM 373 N4 C A 12 -0.254 -2.941 1.645 1.00 0.41 N ATOM 374 C5 C A 12 1.357 -1.592 2.821 1.00 0.37 C ATOM 375 C6 C A 12 1.631 -0.384 3.349 1.00 0.42 C ATOM 0 H5' C A 12 5.081 2.391 4.819 1.00 0.72 H new ATOM 0 H5'' C A 12 4.621 1.590 6.308 1.00 0.72 H new ATOM 0 H4' C A 12 3.110 3.372 5.469 1.00 0.77 H new ATOM 0 H3' C A 12 2.053 0.627 6.215 1.00 0.75 H new ATOM 0 H2' C A 12 -0.230 1.396 5.600 1.00 0.75 H new ATOM 0 HO2' C A 12 0.765 3.726 6.375 1.00 0.95 H new ATOM 0 H1' C A 12 0.474 2.698 3.284 1.00 0.66 H new ATOM 0 H41 C A 12 0.397 -3.726 1.673 1.00 0.41 H new ATOM 0 H42 C A 12 -1.166 -3.050 1.201 1.00 0.41 H new ATOM 0 H5 C A 12 2.073 -2.398 2.873 1.00 0.37 H new ATOM 0 H6 C A 12 2.582 -0.216 3.832 1.00 0.42 H new ATOM 387 P C A 13 1.498 1.641 8.655 1.00 1.03 P ATOM 388 OP1 C A 13 1.542 2.624 9.761 1.00 1.25 O ATOM 389 OP2 C A 13 2.286 0.392 8.746 1.00 0.96 O ATOM 390 O5' C A 13 -0.041 1.248 8.390 1.00 0.99 O ATOM 391 C5' C A 13 -1.051 2.260 8.354 1.00 1.07 C ATOM 392 C4' C A 13 -2.300 1.781 7.622 1.00 0.97 C ATOM 393 O4' C A 13 -1.926 1.166 6.396 1.00 0.77 O ATOM 394 C3' C A 13 -3.084 0.691 8.328 1.00 1.02 C ATOM 395 O3' C A 13 -3.954 1.253 9.314 1.00 1.23 O ATOM 396 C2' C A 13 -3.892 0.093 7.175 1.00 0.88 C ATOM 397 O2' C A 13 -5.120 0.807 7.005 1.00 0.94 O ATOM 398 C1' C A 13 -2.981 0.304 5.957 1.00 0.70 C ATOM 399 N1 C A 13 -2.392 -0.967 5.476 1.00 0.59 N ATOM 400 C2 C A 13 -3.142 -1.734 4.596 1.00 0.53 C ATOM 401 O2 C A 13 -4.252 -1.350 4.233 1.00 0.52 O ATOM 402 N3 C A 13 -2.625 -2.911 4.149 1.00 0.55 N ATOM 403 C4 C A 13 -1.415 -3.322 4.551 1.00 0.59 C ATOM 404 N4 C A 13 -0.964 -4.485 4.080 1.00 0.67 N ATOM 405 C5 C A 13 -0.635 -2.536 5.457 1.00 0.61 C ATOM 406 C6 C A 13 -1.158 -1.374 5.892 1.00 0.63 C ATOM 0 H5' C A 13 -0.658 3.149 7.861 1.00 1.07 H new ATOM 0 H5'' C A 13 -1.313 2.549 9.372 1.00 1.07 H new ATOM 0 H4' C A 13 -2.908 2.681 7.533 1.00 0.97 H new ATOM 0 H3' C A 13 -2.463 -0.031 8.859 1.00 1.02 H new ATOM 0 H2' C A 13 -4.159 -0.951 7.336 1.00 0.88 H new ATOM 0 HO2' C A 13 -5.424 1.146 7.873 1.00 0.94 H new ATOM 0 HO3' C A 13 -4.453 0.535 9.758 1.00 1.23 H new ATOM 0 H1' C A 13 -3.557 0.723 5.132 1.00 0.70 H new ATOM 0 H41 C A 13 -0.047 -4.829 4.364 1.00 0.67 H new ATOM 0 H42 C A 13 -1.536 -5.030 3.435 1.00 0.67 H new ATOM 0 H5 C A 13 0.341 -2.864 5.781 1.00 0.61 H new ATOM 0 H6 C A 13 -0.595 -0.758 6.577 1.00 0.63 H new TER 419 C A 13 END