USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 141 hydrogens (0 hets) 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 -124:sc= 0.332 USER MOD Single : A 2 A O2' : rot -9:sc= -0.0228 USER MOD Single : A 3 C O2' : rot -13:sc= 0.0659 USER MOD Single : A 4 U O2' : rot -113:sc= 0.309 USER MOD Single : A 5 G O2' : rot -86:sc= 0.775 USER MOD Single : A 6 G O2' : rot 82:sc= 1.62 USER MOD Single : A 7 G O2' : rot 22:sc= 0.324 USER MOD Single : A 8 G O2' : rot -18:sc= 1.44 USER MOD Single : A 9 C O2' : rot 32:sc= 0.0832 USER MOD Single : A 10 G O2' : rot -12:sc= 0.163 USER MOD Single : A 11 G O2' : rot -13:sc= 0.209 USER MOD Single : A 12 U O2' : rot -7:sc= 0.105 USER MOD Single : A 13 C O2' : rot -29:sc= 0.239 USER MOD Single : A 13 C O3' : rot 180:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 1 P G A 1 3.059 -11.659 8.299 1.00 0.00 P ATOM 2 OP1 G A 1 1.646 -11.301 7.835 1.00 0.00 O ATOM 3 OP2 G A 1 3.697 -10.441 8.972 1.00 0.00 O ATOM 4 O5' G A 1 3.947 -12.098 7.029 1.00 0.00 O ATOM 5 C5' G A 1 5.310 -12.478 7.210 1.00 0.00 C ATOM 6 C4' G A 1 5.941 -12.860 5.864 1.00 0.00 C ATOM 7 O4' G A 1 5.178 -13.903 5.240 1.00 0.00 O ATOM 8 C3' G A 1 6.041 -11.722 4.833 1.00 0.00 C ATOM 9 O3' G A 1 7.219 -10.934 5.052 1.00 0.00 O ATOM 10 C2' G A 1 6.074 -12.497 3.512 1.00 0.00 C ATOM 11 O2' G A 1 7.414 -12.873 3.211 1.00 0.00 O ATOM 12 C1' G A 1 5.239 -13.760 3.805 1.00 0.00 C ATOM 13 N9 G A 1 3.857 -13.685 3.242 1.00 0.00 N ATOM 14 C8 G A 1 2.688 -13.235 3.830 1.00 0.00 C ATOM 15 N7 G A 1 1.494 -13.210 3.148 1.00 0.00 N ATOM 16 C5 G A 1 1.967 -13.709 1.956 1.00 0.00 C ATOM 17 C6 G A 1 1.129 -13.934 0.682 1.00 0.00 C ATOM 18 O6 G A 1 -0.076 -13.693 0.625 1.00 0.00 O ATOM 19 N1 G A 1 1.831 -14.417 -0.381 1.00 0.00 N ATOM 20 C2 G A 1 3.281 -14.706 -0.322 1.00 0.00 C ATOM 21 N2 G A 1 3.931 -15.199 -1.473 1.00 0.00 N ATOM 22 N3 G A 1 3.964 -14.512 0.764 1.00 0.00 N ATOM 23 C4 G A 1 3.373 -14.003 1.977 1.00 0.00 C ATOM 0 H5' G A 1 5.371 -13.320 7.900 1.00 0.00 H new ATOM 0 H5'' G A 1 5.867 -11.656 7.660 1.00 0.00 H new ATOM 0 H4' G A 1 6.955 -13.162 6.127 1.00 0.00 H new ATOM 0 H3' G A 1 5.229 -10.996 4.874 1.00 0.00 H new ATOM 0 H2' G A 1 5.695 -11.919 2.669 1.00 0.00 H new ATOM 0 HO2' G A 1 7.661 -12.526 2.328 1.00 0.00 H new ATOM 0 H1' G A 1 5.713 -14.618 3.329 1.00 0.00 H new ATOM 0 H8 G A 1 2.714 -12.893 4.854 1.00 0.00 H new ATOM 0 H1 G A 1 1.335 -14.587 -1.256 1.00 0.00 H new ATOM 0 H21 G A 1 4.930 -15.403 -1.447 1.00 0.00 H new ATOM 0 H22 G A 1 3.402 -15.352 -2.331 1.00 0.00 H new ATOM 35 P A A 2 7.349 -9.418 4.494 1.00 0.00 P ATOM 36 OP1 A A 2 8.586 -8.753 5.098 1.00 0.00 O ATOM 37 OP2 A A 2 6.100 -8.623 4.881 1.00 0.00 O ATOM 38 O5' A A 2 7.490 -9.456 2.887 1.00 0.00 O ATOM 39 C5' A A 2 8.660 -10.011 2.281 1.00 0.00 C ATOM 40 C4' A A 2 8.385 -10.372 0.817 1.00 0.00 C ATOM 41 O4' A A 2 7.256 -11.256 0.734 1.00 0.00 O ATOM 42 C3' A A 2 8.060 -9.195 -0.116 1.00 0.00 C ATOM 43 O3' A A 2 9.248 -8.536 -0.577 1.00 0.00 O ATOM 44 C2' A A 2 7.300 -9.897 -1.246 1.00 0.00 C ATOM 45 O2' A A 2 8.220 -10.425 -2.197 1.00 0.00 O ATOM 46 C1' A A 2 6.587 -11.060 -0.530 1.00 0.00 C ATOM 47 N9 A A 2 5.130 -10.801 -0.311 1.00 0.00 N ATOM 48 C8 A A 2 4.479 -10.283 0.789 1.00 0.00 C ATOM 49 N7 A A 2 3.116 -10.099 0.809 1.00 0.00 N ATOM 50 C5 A A 2 2.844 -10.554 -0.481 1.00 0.00 C ATOM 51 C6 A A 2 1.592 -10.614 -1.168 1.00 0.00 C ATOM 52 N6 A A 2 0.438 -10.255 -0.607 1.00 0.00 N ATOM 53 N1 A A 2 1.564 -11.034 -2.399 1.00 0.00 N ATOM 54 C2 A A 2 2.679 -11.393 -2.968 1.00 0.00 C ATOM 55 N3 A A 2 3.895 -11.426 -2.520 1.00 0.00 N ATOM 56 C4 A A 2 4.044 -10.976 -1.164 1.00 0.00 C ATOM 0 H5' A A 2 8.974 -10.900 2.828 1.00 0.00 H new ATOM 0 H5'' A A 2 9.481 -9.296 2.338 1.00 0.00 H new ATOM 0 H4' A A 2 9.324 -10.815 0.484 1.00 0.00 H new ATOM 0 H3' A A 2 7.491 -8.394 0.357 1.00 0.00 H new ATOM 0 H2' A A 2 6.622 -9.231 -1.780 1.00 0.00 H new ATOM 0 HO2' A A 2 9.122 -10.098 -1.996 1.00 0.00 H new ATOM 0 H1' A A 2 6.641 -11.950 -1.156 1.00 0.00 H new ATOM 0 H8 A A 2 5.057 -10.014 1.661 1.00 0.00 H new ATOM 0 H61 A A 2 -0.429 -10.316 -1.140 1.00 0.00 H new ATOM 0 H62 A A 2 0.422 -9.919 0.356 1.00 0.00 H new ATOM 0 H2 A A 2 2.572 -11.720 -3.992 1.00 0.00 H new ATOM 68 P C A 3 9.218 -7.005 -1.109 1.00 0.00 P ATOM 69 OP1 C A 3 10.643 -6.542 -1.421 1.00 0.00 O ATOM 70 OP2 C A 3 8.614 -6.103 -0.031 1.00 0.00 O ATOM 71 O5' C A 3 8.320 -6.921 -2.448 1.00 0.00 O ATOM 72 C5' C A 3 8.767 -7.547 -3.650 1.00 0.00 C ATOM 73 C4' C A 3 7.627 -7.654 -4.672 1.00 0.00 C ATOM 74 O4' C A 3 6.503 -8.338 -4.110 1.00 0.00 O ATOM 75 C3' C A 3 7.103 -6.316 -5.207 1.00 0.00 C ATOM 76 O3' C A 3 7.906 -5.920 -6.324 1.00 0.00 O ATOM 77 C2' C A 3 5.673 -6.658 -5.620 1.00 0.00 C ATOM 78 O2' C A 3 5.669 -7.166 -6.950 1.00 0.00 O ATOM 79 C1' C A 3 5.275 -7.783 -4.638 1.00 0.00 C ATOM 80 N1 C A 3 4.352 -7.370 -3.528 1.00 0.00 N ATOM 81 C2 C A 3 2.972 -7.346 -3.687 1.00 0.00 C ATOM 82 O2 C A 3 2.424 -7.511 -4.787 1.00 0.00 O ATOM 83 N3 C A 3 2.171 -7.117 -2.492 1.00 0.00 N ATOM 84 C4 C A 3 2.662 -6.949 -1.313 1.00 0.00 C ATOM 85 N4 C A 3 1.760 -6.798 -0.234 1.00 0.00 N ATOM 86 C5 C A 3 4.008 -6.924 -1.114 1.00 0.00 C ATOM 87 C6 C A 3 4.864 -7.112 -2.153 1.00 0.00 C ATOM 0 H5' C A 3 9.152 -8.541 -3.425 1.00 0.00 H new ATOM 0 H5'' C A 3 9.591 -6.975 -4.077 1.00 0.00 H new ATOM 0 H4' C A 3 8.077 -8.197 -5.503 1.00 0.00 H new ATOM 0 H3' C A 3 7.137 -5.488 -4.499 1.00 0.00 H new ATOM 0 H2' C A 3 5.000 -5.801 -5.592 1.00 0.00 H new ATOM 0 HO2' C A 3 6.537 -6.990 -7.370 1.00 0.00 H new ATOM 0 H1' C A 3 4.692 -8.518 -5.194 1.00 0.00 H new ATOM 0 H41 C A 3 2.115 -6.663 0.713 1.00 0.00 H new ATOM 0 H42 C A 3 0.754 -6.824 -0.403 1.00 0.00 H new ATOM 0 H5 C A 3 4.399 -6.753 -0.122 1.00 0.00 H new ATOM 0 H6 C A 3 5.929 -7.074 -1.979 1.00 0.00 H new ATOM 99 P U A 4 8.090 -4.371 -6.723 1.00 0.00 P ATOM 100 OP1 U A 4 8.957 -4.260 -7.979 1.00 0.00 O ATOM 101 OP2 U A 4 8.764 -3.627 -5.569 1.00 0.00 O ATOM 102 O5' U A 4 6.643 -3.733 -6.999 1.00 0.00 O ATOM 103 C5' U A 4 5.896 -4.067 -8.175 1.00 0.00 C ATOM 104 C4' U A 4 4.451 -3.550 -8.073 1.00 0.00 C ATOM 105 O4' U A 4 3.747 -4.243 -7.034 1.00 0.00 O ATOM 106 C3' U A 4 4.314 -2.056 -7.753 1.00 0.00 C ATOM 107 O3' U A 4 4.392 -1.277 -8.954 1.00 0.00 O ATOM 108 C2' U A 4 2.949 -1.979 -7.092 1.00 0.00 C ATOM 109 O2' U A 4 1.956 -1.698 -8.071 1.00 0.00 O ATOM 110 C1' U A 4 2.726 -3.378 -6.488 1.00 0.00 C ATOM 111 N1 U A 4 2.726 -3.430 -4.988 1.00 0.00 N ATOM 112 C2 U A 4 1.529 -3.398 -4.264 1.00 0.00 C ATOM 113 O2 U A 4 0.415 -3.269 -4.784 1.00 0.00 O ATOM 114 N3 U A 4 1.542 -3.532 -2.905 1.00 0.00 N ATOM 115 C4 U A 4 2.667 -3.714 -2.156 1.00 0.00 C ATOM 116 O4 U A 4 2.608 -3.840 -0.935 1.00 0.00 O ATOM 117 C5 U A 4 4.014 -3.753 -2.915 1.00 0.00 C ATOM 118 C6 U A 4 4.011 -3.592 -4.255 1.00 0.00 C ATOM 0 H5' U A 4 5.891 -5.148 -8.312 1.00 0.00 H new ATOM 0 H5'' U A 4 6.379 -3.637 -9.052 1.00 0.00 H new ATOM 0 H4' U A 4 4.039 -3.727 -9.067 1.00 0.00 H new ATOM 0 H3' U A 4 5.103 -1.659 -7.114 1.00 0.00 H new ATOM 0 H2' U A 4 2.891 -1.194 -6.338 1.00 0.00 H new ATOM 0 HO2' U A 4 1.582 -0.806 -7.911 1.00 0.00 H new ATOM 0 H1' U A 4 1.721 -3.703 -6.759 1.00 0.00 H new ATOM 0 H3 U A 4 0.648 -3.493 -2.416 1.00 0.00 H new ATOM 0 H5 U A 4 4.941 -3.906 -2.382 1.00 0.00 H new ATOM 0 H6 U A 4 4.945 -3.581 -4.797 1.00 0.00 H new ATOM 129 P G A 5 4.989 0.223 -8.950 1.00 0.00 P ATOM 130 OP1 G A 5 5.096 0.736 -10.388 1.00 0.00 O ATOM 131 OP2 G A 5 6.379 0.213 -8.309 1.00 0.00 O ATOM 132 O5' G A 5 4.015 1.188 -8.102 1.00 0.00 O ATOM 133 C5' G A 5 2.735 1.583 -8.607 1.00 0.00 C ATOM 134 C4' G A 5 1.798 1.921 -7.444 1.00 0.00 C ATOM 135 O4' G A 5 1.743 0.794 -6.566 1.00 0.00 O ATOM 136 C3' G A 5 2.214 3.129 -6.597 1.00 0.00 C ATOM 137 O3' G A 5 1.657 4.338 -7.127 1.00 0.00 O ATOM 138 C2' G A 5 1.636 2.766 -5.231 1.00 0.00 C ATOM 139 O2' G A 5 0.295 3.221 -5.116 1.00 0.00 O ATOM 140 C1' G A 5 1.680 1.218 -5.199 1.00 0.00 C ATOM 141 N9 G A 5 2.869 0.688 -4.450 1.00 0.00 N ATOM 142 C8 G A 5 4.206 0.723 -4.803 1.00 0.00 C ATOM 143 N7 G A 5 5.195 0.268 -3.963 1.00 0.00 N ATOM 144 C5 G A 5 4.372 -0.099 -2.920 1.00 0.00 C ATOM 145 C6 G A 5 4.842 -0.656 -1.563 1.00 0.00 C ATOM 146 O6 G A 5 6.025 -0.873 -1.308 1.00 0.00 O ATOM 147 N1 G A 5 3.843 -0.882 -0.663 1.00 0.00 N ATOM 148 C2 G A 5 2.419 -0.606 -0.963 1.00 0.00 C ATOM 149 N2 G A 5 1.446 -0.857 0.027 1.00 0.00 N ATOM 150 N3 G A 5 2.048 -0.140 -2.115 1.00 0.00 N ATOM 151 C4 G A 5 2.980 0.152 -3.175 1.00 0.00 C ATOM 0 H5' G A 5 2.308 0.780 -9.208 1.00 0.00 H new ATOM 0 H5'' G A 5 2.844 2.448 -9.261 1.00 0.00 H new ATOM 0 H4' G A 5 0.842 2.171 -7.905 1.00 0.00 H new ATOM 0 H3' G A 5 3.287 3.317 -6.568 1.00 0.00 H new ATOM 0 H2' G A 5 2.191 3.222 -4.411 1.00 0.00 H new ATOM 0 HO2' G A 5 0.290 4.150 -4.805 1.00 0.00 H new ATOM 0 H1' G A 5 0.801 0.836 -4.680 1.00 0.00 H new ATOM 0 H8 G A 5 4.482 1.120 -5.769 1.00 0.00 H new ATOM 0 H1 G A 5 4.086 -1.256 0.254 1.00 0.00 H new ATOM 0 H21 G A 5 0.462 -0.671 -0.166 1.00 0.00 H new ATOM 0 H22 G A 5 1.727 -1.224 0.936 1.00 0.00 H new ATOM 163 P G A 6 2.605 5.540 -7.664 1.00 0.00 P ATOM 164 OP1 G A 6 3.625 4.968 -8.649 1.00 0.00 O ATOM 165 OP2 G A 6 3.343 6.176 -6.483 1.00 0.00 O ATOM 166 O5' G A 6 1.720 6.669 -8.416 1.00 0.00 O ATOM 167 C5' G A 6 0.449 6.380 -9.009 1.00 0.00 C ATOM 168 C4' G A 6 -0.652 6.871 -8.045 1.00 0.00 C ATOM 169 O4' G A 6 -0.378 6.361 -6.723 1.00 0.00 O ATOM 170 C3' G A 6 -0.828 8.406 -7.904 1.00 0.00 C ATOM 171 O3' G A 6 -2.228 8.734 -7.934 1.00 0.00 O ATOM 172 C2' G A 6 -0.294 8.706 -6.503 1.00 0.00 C ATOM 173 O2' G A 6 -0.947 9.817 -5.909 1.00 0.00 O ATOM 174 C1' G A 6 -0.585 7.394 -5.744 1.00 0.00 C ATOM 175 N9 G A 6 0.249 7.088 -4.524 1.00 0.00 N ATOM 176 C8 G A 6 0.163 5.952 -3.736 1.00 0.00 C ATOM 177 N7 G A 6 0.968 5.750 -2.637 1.00 0.00 N ATOM 178 C5 G A 6 1.678 6.922 -2.723 1.00 0.00 C ATOM 179 C6 G A 6 2.798 7.366 -1.761 1.00 0.00 C ATOM 180 O6 G A 6 3.160 6.684 -0.804 1.00 0.00 O ATOM 181 N1 G A 6 3.354 8.576 -2.055 1.00 0.00 N ATOM 182 C2 G A 6 2.916 9.397 -3.207 1.00 0.00 C ATOM 183 N2 G A 6 3.539 10.638 -3.448 1.00 0.00 N ATOM 184 N3 G A 6 1.972 8.996 -3.999 1.00 0.00 N ATOM 185 C4 G A 6 1.283 7.744 -3.828 1.00 0.00 C ATOM 0 H5' G A 6 0.348 5.310 -9.189 1.00 0.00 H new ATOM 0 H5'' G A 6 0.358 6.876 -9.975 1.00 0.00 H new ATOM 0 H4' G A 6 -1.574 6.500 -8.492 1.00 0.00 H new ATOM 0 H3' G A 6 -0.326 8.962 -8.696 1.00 0.00 H new ATOM 0 H2' G A 6 0.760 8.984 -6.497 1.00 0.00 H new ATOM 0 HO2' G A 6 -1.797 9.526 -5.517 1.00 0.00 H new ATOM 0 H1' G A 6 -1.590 7.475 -5.330 1.00 0.00 H new ATOM 0 H8 G A 6 -0.563 5.195 -3.993 1.00 0.00 H new ATOM 0 H1 G A 6 4.101 8.930 -1.458 1.00 0.00 H new ATOM 0 H21 G A 6 3.245 11.211 -4.239 1.00 0.00 H new ATOM 0 H22 G A 6 4.284 10.963 -2.832 1.00 0.00 H new ATOM 197 P G A 7 -3.067 9.054 -9.285 1.00 0.00 P ATOM 198 OP1 G A 7 -2.342 8.500 -10.516 1.00 0.00 O ATOM 199 OP2 G A 7 -3.243 10.566 -9.438 1.00 0.00 O ATOM 200 O5' G A 7 -4.512 8.344 -9.165 1.00 0.00 O ATOM 201 C5' G A 7 -4.616 6.924 -8.984 1.00 0.00 C ATOM 202 C4' G A 7 -4.932 6.570 -7.521 1.00 0.00 C ATOM 203 O4' G A 7 -4.034 7.294 -6.652 1.00 0.00 O ATOM 204 C3' G A 7 -6.372 6.856 -7.020 1.00 0.00 C ATOM 205 O3' G A 7 -6.896 5.680 -6.392 1.00 0.00 O ATOM 206 C2' G A 7 -6.186 7.925 -5.947 1.00 0.00 C ATOM 207 O2' G A 7 -7.122 7.795 -4.885 1.00 0.00 O ATOM 208 C1' G A 7 -4.750 7.669 -5.466 1.00 0.00 C ATOM 209 N9 G A 7 -4.110 8.846 -4.793 1.00 0.00 N ATOM 210 C8 G A 7 -3.534 8.905 -3.536 1.00 0.00 C ATOM 211 N7 G A 7 -2.925 10.043 -3.058 1.00 0.00 N ATOM 212 C5 G A 7 -3.130 10.827 -4.169 1.00 0.00 C ATOM 213 C6 G A 7 -2.703 12.300 -4.321 1.00 0.00 C ATOM 214 O6 G A 7 -2.109 12.913 -3.434 1.00 0.00 O ATOM 215 N1 G A 7 -3.038 12.870 -5.512 1.00 0.00 N ATOM 216 C2 G A 7 -3.761 12.134 -6.575 1.00 0.00 C ATOM 217 N2 G A 7 -4.096 12.803 -7.770 1.00 0.00 N ATOM 218 N3 G A 7 -4.098 10.890 -6.426 1.00 0.00 N ATOM 219 C4 G A 7 -3.818 10.145 -5.227 1.00 0.00 C ATOM 0 H5' G A 7 -3.682 6.448 -9.282 1.00 0.00 H new ATOM 0 H5'' G A 7 -5.397 6.528 -9.633 1.00 0.00 H new ATOM 0 H4' G A 7 -4.813 5.487 -7.490 1.00 0.00 H new ATOM 0 H3' G A 7 -7.044 7.155 -7.824 1.00 0.00 H new ATOM 0 H2' G A 7 -6.349 8.935 -6.323 1.00 0.00 H new ATOM 0 HO2' G A 7 -7.469 6.879 -4.865 1.00 0.00 H new ATOM 0 H1' G A 7 -4.740 6.898 -4.695 1.00 0.00 H new ATOM 0 H8 G A 7 -3.563 8.027 -2.908 1.00 0.00 H new ATOM 0 H1 G A 7 -2.781 13.843 -5.679 1.00 0.00 H new ATOM 0 H21 G A 7 -4.594 12.307 -8.510 1.00 0.00 H new ATOM 0 H22 G A 7 -3.841 13.783 -7.895 1.00 0.00 H new ATOM 231 P G A 8 -7.805 4.607 -7.181 1.00 0.00 P ATOM 232 OP1 G A 8 -7.107 4.196 -8.480 1.00 0.00 O ATOM 233 OP2 G A 8 -9.167 5.225 -7.502 1.00 0.00 O ATOM 234 O5' G A 8 -8.002 3.317 -6.246 1.00 0.00 O ATOM 235 C5' G A 8 -8.512 3.472 -4.925 1.00 0.00 C ATOM 236 C4' G A 8 -8.405 2.121 -4.183 1.00 0.00 C ATOM 237 O4' G A 8 -8.900 1.066 -5.035 1.00 0.00 O ATOM 238 C3' G A 8 -6.988 1.694 -3.714 1.00 0.00 C ATOM 239 O3' G A 8 -7.063 1.131 -2.401 1.00 0.00 O ATOM 240 C2' G A 8 -6.600 0.574 -4.682 1.00 0.00 C ATOM 241 O2' G A 8 -5.748 -0.391 -4.080 1.00 0.00 O ATOM 242 C1' G A 8 -7.972 -0.036 -5.044 1.00 0.00 C ATOM 243 N9 G A 8 -8.091 -0.774 -6.357 1.00 0.00 N ATOM 244 C8 G A 8 -7.299 -0.812 -7.512 1.00 0.00 C ATOM 245 N7 G A 8 -7.713 -1.420 -8.672 1.00 0.00 N ATOM 246 C5 G A 8 -8.951 -1.813 -8.225 1.00 0.00 C ATOM 247 C6 G A 8 -10.003 -2.568 -9.062 1.00 0.00 C ATOM 248 O6 G A 8 -9.806 -2.900 -10.229 1.00 0.00 O ATOM 249 N1 G A 8 -11.168 -2.838 -8.409 1.00 0.00 N ATOM 250 C2 G A 8 -11.407 -2.434 -7.004 1.00 0.00 C ATOM 251 N2 G A 8 -12.640 -2.748 -6.396 1.00 0.00 N ATOM 252 N3 G A 8 -10.506 -1.799 -6.324 1.00 0.00 N ATOM 253 C4 G A 8 -9.215 -1.436 -6.863 1.00 0.00 C ATOM 0 H5' G A 8 -9.550 3.802 -4.959 1.00 0.00 H new ATOM 0 H5'' G A 8 -7.951 4.240 -4.392 1.00 0.00 H new ATOM 0 H4' G A 8 -8.994 2.276 -3.279 1.00 0.00 H new ATOM 0 H3' G A 8 -6.289 2.530 -3.697 1.00 0.00 H new ATOM 0 H2' G A 8 -6.033 0.932 -5.541 1.00 0.00 H new ATOM 0 HO2' G A 8 -5.352 -0.015 -3.266 1.00 0.00 H new ATOM 0 H1' G A 8 -8.165 -0.819 -4.311 1.00 0.00 H new ATOM 0 H8 G A 8 -6.325 -0.345 -7.489 1.00 0.00 H new ATOM 0 H1 G A 8 -11.904 -3.338 -8.907 1.00 0.00 H new ATOM 0 H21 G A 8 -12.816 -2.475 -5.429 1.00 0.00 H new ATOM 0 H22 G A 8 -13.356 -3.248 -6.923 1.00 0.00 H new ATOM 265 P C A 9 -6.993 1.982 -1.029 1.00 0.00 P ATOM 266 OP1 C A 9 -8.240 2.861 -0.902 1.00 0.00 O ATOM 267 OP2 C A 9 -5.738 2.858 -1.020 1.00 0.00 O ATOM 268 O5' C A 9 -6.936 0.934 0.194 1.00 0.00 O ATOM 269 C5' C A 9 -7.828 -0.189 0.239 1.00 0.00 C ATOM 270 C4' C A 9 -7.122 -1.374 0.972 1.00 0.00 C ATOM 271 O4' C A 9 -6.005 -1.881 0.208 1.00 0.00 O ATOM 272 C3' C A 9 -6.515 -1.182 2.376 1.00 0.00 C ATOM 273 O3' C A 9 -6.492 -2.473 3.078 1.00 0.00 O ATOM 274 C2' C A 9 -5.060 -0.755 2.051 1.00 0.00 C ATOM 275 O2' C A 9 -4.179 -0.952 3.147 1.00 0.00 O ATOM 276 C1' C A 9 -4.715 -1.656 0.856 1.00 0.00 C ATOM 277 N1 C A 9 -3.760 -1.061 -0.131 1.00 0.00 N ATOM 278 C2 C A 9 -2.383 -1.174 -0.026 1.00 0.00 C ATOM 279 O2 C A 9 -1.844 -1.794 0.897 1.00 0.00 O ATOM 280 N3 C A 9 -1.581 -0.510 -1.060 1.00 0.00 N ATOM 281 C4 C A 9 -2.106 0.151 -2.045 1.00 0.00 C ATOM 282 N4 C A 9 -1.248 0.767 -2.981 1.00 0.00 N ATOM 283 C5 C A 9 -3.455 0.261 -2.193 1.00 0.00 C ATOM 284 C6 C A 9 -4.288 -0.315 -1.291 1.00 0.00 C ATOM 0 H5' C A 9 -8.110 -0.486 -0.771 1.00 0.00 H new ATOM 0 H5'' C A 9 -8.747 0.081 0.760 1.00 0.00 H new ATOM 0 H4' C A 9 -7.992 -2.022 1.078 1.00 0.00 H new ATOM 0 H3' C A 9 -7.060 -0.474 3.001 1.00 0.00 H new ATOM 0 H2' C A 9 -4.961 0.309 1.835 1.00 0.00 H new ATOM 0 HO2' C A 9 -4.472 -1.730 3.667 1.00 0.00 H new ATOM 0 H1' C A 9 -4.207 -2.554 1.207 1.00 0.00 H new ATOM 0 H41 C A 9 -1.639 1.292 -3.763 1.00 0.00 H new ATOM 0 H42 C A 9 -0.237 0.687 -2.875 1.00 0.00 H new ATOM 0 H5 C A 9 -3.862 0.808 -3.030 1.00 0.00 H new ATOM 0 H6 C A 9 -5.356 -0.227 -1.423 1.00 0.00 H new ATOM 296 P G A 10 -7.781 -3.342 3.614 1.00 0.00 P ATOM 297 OP1 G A 10 -8.740 -2.414 4.362 1.00 0.00 O ATOM 298 OP2 G A 10 -7.296 -4.442 4.562 1.00 0.00 O ATOM 299 O5' G A 10 -8.559 -4.023 2.351 1.00 0.00 O ATOM 300 C5' G A 10 -8.113 -5.218 1.675 1.00 0.00 C ATOM 301 C4' G A 10 -8.296 -5.054 0.153 1.00 0.00 C ATOM 302 O4' G A 10 -7.435 -3.994 -0.272 1.00 0.00 O ATOM 303 C3' G A 10 -7.962 -6.244 -0.767 1.00 0.00 C ATOM 304 O3' G A 10 -9.128 -7.035 -1.027 1.00 0.00 O ATOM 305 C2' G A 10 -7.451 -5.521 -2.032 1.00 0.00 C ATOM 306 O2' G A 10 -8.548 -5.163 -2.865 1.00 0.00 O ATOM 307 C1' G A 10 -6.774 -4.256 -1.509 1.00 0.00 C ATOM 308 N9 G A 10 -5.294 -4.390 -1.267 1.00 0.00 N ATOM 309 C8 G A 10 -4.637 -4.945 -0.183 1.00 0.00 C ATOM 310 N7 G A 10 -3.271 -5.098 -0.156 1.00 0.00 N ATOM 311 C5 G A 10 -3.015 -4.535 -1.386 1.00 0.00 C ATOM 312 C6 G A 10 -1.618 -4.361 -2.017 1.00 0.00 C ATOM 313 O6 G A 10 -0.596 -4.771 -1.470 1.00 0.00 O ATOM 314 N1 G A 10 -1.608 -3.723 -3.224 1.00 0.00 N ATOM 315 C2 G A 10 -2.853 -3.214 -3.857 1.00 0.00 C ATOM 316 N2 G A 10 -2.765 -2.482 -5.057 1.00 0.00 N ATOM 317 N3 G A 10 -4.018 -3.413 -3.325 1.00 0.00 N ATOM 318 C4 G A 10 -4.197 -4.078 -2.062 1.00 0.00 C ATOM 0 H5' G A 10 -8.679 -6.080 2.028 1.00 0.00 H new ATOM 0 H5'' G A 10 -7.065 -5.409 1.906 1.00 0.00 H new ATOM 0 H4' G A 10 -9.369 -4.897 0.047 1.00 0.00 H new ATOM 0 H3' G A 10 -7.243 -6.951 -0.352 1.00 0.00 H new ATOM 0 H2' G A 10 -6.779 -6.145 -2.620 1.00 0.00 H new ATOM 0 HO2' G A 10 -9.357 -5.623 -2.557 1.00 0.00 H new ATOM 0 H1' G A 10 -6.857 -3.462 -2.251 1.00 0.00 H new ATOM 0 H8 G A 10 -5.216 -5.268 0.669 1.00 0.00 H new ATOM 0 H1 G A 10 -0.719 -3.592 -3.706 1.00 0.00 H new ATOM 0 H21 G A 10 -3.612 -2.127 -5.501 1.00 0.00 H new ATOM 0 H22 G A 10 -1.854 -2.307 -5.482 1.00 0.00 H new ATOM 330 P G A 11 -9.021 -8.588 -1.468 1.00 0.00 P ATOM 331 OP1 G A 11 -10.423 -9.198 -1.540 1.00 0.00 O ATOM 332 OP2 G A 11 -8.187 -9.351 -0.437 1.00 0.00 O ATOM 333 O5' G A 11 -8.314 -8.691 -2.914 1.00 0.00 O ATOM 334 C5' G A 11 -8.990 -8.249 -4.094 1.00 0.00 C ATOM 335 C4' G A 11 -7.983 -8.033 -5.232 1.00 0.00 C ATOM 336 O4' G A 11 -6.984 -7.098 -4.809 1.00 0.00 O ATOM 337 C3' G A 11 -7.225 -9.282 -5.708 1.00 0.00 C ATOM 338 O3' G A 11 -7.969 -9.974 -6.718 1.00 0.00 O ATOM 339 C2' G A 11 -5.930 -8.680 -6.260 1.00 0.00 C ATOM 340 O2' G A 11 -6.124 -8.298 -7.617 1.00 0.00 O ATOM 341 C1' G A 11 -5.710 -7.418 -5.401 1.00 0.00 C ATOM 342 N9 G A 11 -4.689 -7.606 -4.326 1.00 0.00 N ATOM 343 C8 G A 11 -4.847 -7.999 -3.008 1.00 0.00 C ATOM 344 N7 G A 11 -3.780 -8.114 -2.148 1.00 0.00 N ATOM 345 C5 G A 11 -2.800 -7.779 -3.052 1.00 0.00 C ATOM 346 C6 G A 11 -1.300 -7.637 -2.736 1.00 0.00 C ATOM 347 O6 G A 11 -0.813 -7.807 -1.616 1.00 0.00 O ATOM 348 N1 G A 11 -0.541 -7.281 -3.805 1.00 0.00 N ATOM 349 C2 G A 11 -1.082 -7.021 -5.148 1.00 0.00 C ATOM 350 N2 G A 11 -0.192 -6.644 -6.174 1.00 0.00 N ATOM 351 N3 G A 11 -2.350 -7.127 -5.389 1.00 0.00 N ATOM 352 C4 G A 11 -3.304 -7.504 -4.370 1.00 0.00 C ATOM 0 H5' G A 11 -9.524 -7.321 -3.890 1.00 0.00 H new ATOM 0 H5'' G A 11 -9.735 -8.986 -4.393 1.00 0.00 H new ATOM 0 H4' G A 11 -8.596 -7.688 -6.065 1.00 0.00 H new ATOM 0 H3' G A 11 -7.053 -10.026 -4.930 1.00 0.00 H new ATOM 0 H2' G A 11 -5.090 -9.374 -6.224 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.958 -8.689 -7.951 1.00 0.00 H new ATOM 0 H1' G A 11 -5.329 -6.618 -6.036 1.00 0.00 H new ATOM 0 H8 G A 11 -5.839 -8.222 -2.644 1.00 0.00 H new ATOM 0 H1 G A 11 0.466 -7.188 -3.668 1.00 0.00 H new ATOM 0 H21 G A 11 -0.545 -6.459 -7.113 1.00 0.00 H new ATOM 0 H22 G A 11 0.805 -6.556 -5.978 1.00 0.00 H new ATOM 364 P U A 12 -7.796 -11.564 -6.949 1.00 0.00 P ATOM 365 OP1 U A 12 -8.754 -12.032 -8.048 1.00 0.00 O ATOM 366 OP2 U A 12 -8.120 -12.300 -5.647 1.00 0.00 O ATOM 367 O5' U A 12 -6.275 -11.880 -7.376 1.00 0.00 O ATOM 368 C5' U A 12 -5.793 -11.527 -8.676 1.00 0.00 C ATOM 369 C4' U A 12 -4.263 -11.640 -8.749 1.00 0.00 C ATOM 370 O4' U A 12 -3.654 -10.719 -7.833 1.00 0.00 O ATOM 371 C3' U A 12 -3.676 -13.022 -8.418 1.00 0.00 C ATOM 372 O3' U A 12 -3.692 -13.878 -9.569 1.00 0.00 O ATOM 373 C2' U A 12 -2.259 -12.671 -7.966 1.00 0.00 C ATOM 374 O2' U A 12 -1.400 -12.597 -9.100 1.00 0.00 O ATOM 375 C1' U A 12 -2.416 -11.272 -7.330 1.00 0.00 C ATOM 376 N1 U A 12 -2.394 -11.270 -5.827 1.00 0.00 N ATOM 377 C2 U A 12 -1.199 -11.121 -5.119 1.00 0.00 C ATOM 378 O2 U A 12 -0.101 -10.975 -5.668 1.00 0.00 O ATOM 379 N3 U A 12 -1.197 -11.140 -3.755 1.00 0.00 N ATOM 380 C4 U A 12 -2.302 -11.294 -2.976 1.00 0.00 C ATOM 381 O4 U A 12 -2.224 -11.305 -1.748 1.00 0.00 O ATOM 382 C5 U A 12 -3.649 -11.451 -3.714 1.00 0.00 C ATOM 383 C6 U A 12 -3.663 -11.433 -5.066 1.00 0.00 C ATOM 0 H5' U A 12 -6.097 -10.508 -8.915 1.00 0.00 H new ATOM 0 H5'' U A 12 -6.245 -12.179 -9.424 1.00 0.00 H new ATOM 0 H4' U A 12 -4.043 -11.427 -9.795 1.00 0.00 H new ATOM 0 H3' U A 12 -4.234 -13.577 -7.664 1.00 0.00 H new ATOM 0 H2' U A 12 -1.831 -13.403 -7.282 1.00 0.00 H new ATOM 0 HO2' U A 12 -1.884 -12.899 -9.897 1.00 0.00 H new ATOM 0 H1' U A 12 -1.555 -10.665 -7.610 1.00 0.00 H new ATOM 0 H3 U A 12 -0.299 -11.030 -3.283 1.00 0.00 H new ATOM 0 H5 U A 12 -4.567 -11.573 -3.158 1.00 0.00 H new ATOM 0 H6 U A 12 -4.598 -11.537 -5.596 1.00 0.00 H new ATOM 394 P C A 13 -3.664 -15.490 -9.427 1.00 0.00 P ATOM 395 OP1 C A 13 -3.853 -16.132 -10.804 1.00 0.00 O ATOM 396 OP2 C A 13 -4.796 -15.936 -8.499 1.00 0.00 O ATOM 397 O5' C A 13 -2.248 -15.945 -8.803 1.00 0.00 O ATOM 398 C5' C A 13 -1.052 -15.847 -9.581 1.00 0.00 C ATOM 399 C4' C A 13 0.202 -16.073 -8.723 1.00 0.00 C ATOM 400 O4' C A 13 0.309 -15.067 -7.711 1.00 0.00 O ATOM 401 C3' C A 13 0.268 -17.411 -7.975 1.00 0.00 C ATOM 402 O3' C A 13 0.756 -18.452 -8.818 1.00 0.00 O ATOM 403 C2' C A 13 1.237 -17.113 -6.838 1.00 0.00 C ATOM 404 O2' C A 13 2.573 -17.340 -7.273 1.00 0.00 O ATOM 405 C1' C A 13 1.021 -15.605 -6.572 1.00 0.00 C ATOM 406 N1 C A 13 0.287 -15.310 -5.298 1.00 0.00 N ATOM 407 C2 C A 13 0.949 -15.079 -4.098 1.00 0.00 C ATOM 408 O2 C A 13 2.182 -15.110 -4.009 1.00 0.00 O ATOM 409 N3 C A 13 0.127 -14.799 -2.919 1.00 0.00 N ATOM 410 C4 C A 13 -1.166 -14.756 -2.954 1.00 0.00 C ATOM 411 N4 C A 13 -1.866 -14.476 -1.757 1.00 0.00 N ATOM 412 C5 C A 13 -1.851 -14.975 -4.111 1.00 0.00 C ATOM 413 C6 C A 13 -1.196 -15.244 -5.269 1.00 0.00 C ATOM 0 H5' C A 13 -1.001 -14.864 -10.048 1.00 0.00 H new ATOM 0 H5'' C A 13 -1.080 -16.581 -10.386 1.00 0.00 H new ATOM 0 H4' C A 13 1.008 -16.048 -9.457 1.00 0.00 H new ATOM 0 H3' C A 13 -0.704 -17.762 -7.629 1.00 0.00 H new ATOM 0 H2' C A 13 1.074 -17.734 -5.957 1.00 0.00 H new ATOM 0 HO2' C A 13 2.578 -18.033 -7.966 1.00 0.00 H new ATOM 0 HO3' C A 13 0.789 -19.292 -8.315 1.00 0.00 H new ATOM 0 H1' C A 13 1.996 -15.134 -6.445 1.00 0.00 H new ATOM 0 H41 C A 13 -2.885 -14.437 -1.760 1.00 0.00 H new ATOM 0 H42 C A 13 -1.351 -14.313 -0.891 1.00 0.00 H new ATOM 0 H5 C A 13 -2.930 -14.934 -4.107 1.00 0.00 H new ATOM 0 H6 C A 13 -1.758 -15.411 -6.176 1.00 0.00 H new TER 425 C A 13