USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 8 C O2' : rot 180:sc= -1.07 USER MOD Single : A 8 C O5' : rot 180:sc= -0.732 USER MOD Single : A 9 C O2' : rot -70:sc= 0.127 USER MOD Single : A 10 G O2' : rot -117:sc= 1.09 USER MOD Single : A 11 U O2' : rot 137:sc= -2.19! USER MOD Single : A 12 U O2' : rot 180:sc= -2.37! USER MOD Single : A 13 G O2' : rot -66:sc= 0.301 USER MOD Single : A 14 A O2' : rot -20:sc= 0.102 USER MOD Single : A 15 A O2' : rot -87:sc= -7.38! USER MOD Single : A 16 U O2' : rot 16:sc= 0.222 USER MOD Single : A 17 C O2' : rot 13:sc= 0.229 USER MOD Single : A 18 U O2' : rot 145:sc= 0.942 USER MOD Single : A 19 C O2' : rot -81:sc= -1.25 USER MOD Single : A 20 A O2' : rot -173:sc= 1 USER MOD Single : A 21 C O2' : rot 38:sc= -0.787! USER MOD Single : A 22 G O2' : rot 180:sc= -0.188 USER MOD Single : A 23 G O2' : rot -20:sc= 0.106 USER MOD Single : A 23 G O3' : rot 180:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 0.277 -2.204 -10.604 1.00 0.00 O ATOM 2 C5' C A 8 0.070 -3.166 -11.638 1.00 0.00 C ATOM 3 C4' C A 8 0.804 -4.449 -11.316 1.00 0.00 C ATOM 4 O4' C A 8 2.232 -4.215 -11.446 1.00 0.00 O ATOM 5 C3' C A 8 0.630 -4.977 -9.898 1.00 0.00 C ATOM 6 O3' C A 8 -0.535 -5.786 -9.780 1.00 0.00 O ATOM 7 C2' C A 8 1.912 -5.770 -9.674 1.00 0.00 C ATOM 8 O2' C A 8 1.845 -7.048 -10.281 1.00 0.00 O ATOM 9 C1' C A 8 2.930 -4.922 -10.436 1.00 0.00 C ATOM 10 N1 C A 8 3.646 -3.947 -9.590 1.00 0.00 N ATOM 11 C2 C A 8 4.827 -4.345 -8.939 1.00 0.00 C ATOM 12 O2 C A 8 5.243 -5.506 -9.088 1.00 0.00 O ATOM 13 N3 C A 8 5.484 -3.451 -8.163 1.00 0.00 N ATOM 14 C4 C A 8 5.010 -2.211 -8.023 1.00 0.00 C ATOM 15 N4 C A 8 5.692 -1.366 -7.247 1.00 0.00 N ATOM 16 C5 C A 8 3.816 -1.780 -8.673 1.00 0.00 C ATOM 17 C6 C A 8 3.174 -2.672 -9.440 1.00 0.00 C ATOM 0 H5' C A 8 0.421 -2.768 -12.590 1.00 0.00 H new ATOM 0 H5'' C A 8 -0.996 -3.367 -11.749 1.00 0.00 H new ATOM 0 H4' C A 8 0.382 -5.178 -12.008 1.00 0.00 H new ATOM 0 H3' C A 8 0.485 -4.192 -9.156 1.00 0.00 H new ATOM 0 H2' C A 8 2.130 -5.940 -8.620 1.00 0.00 H new ATOM 0 HO2' C A 8 2.682 -7.531 -10.120 1.00 0.00 H new ATOM 0 HO5' C A 8 -0.202 -1.378 -10.825 1.00 0.00 H new ATOM 0 H1' C A 8 3.684 -5.599 -10.838 1.00 0.00 H new ATOM 0 H41 C A 8 5.359 -0.411 -7.117 1.00 0.00 H new ATOM 0 H42 C A 8 6.546 -1.676 -6.784 1.00 0.00 H new ATOM 0 H5 C A 8 3.444 -0.774 -8.552 1.00 0.00 H new ATOM 0 H6 C A 8 2.268 -2.379 -9.949 1.00 0.00 H new ATOM 29 P C A 9 -1.168 -6.067 -8.330 1.00 0.00 P ATOM 30 OP1 C A 9 -2.450 -6.787 -8.540 1.00 0.00 O ATOM 31 OP2 C A 9 -1.158 -4.801 -7.551 1.00 0.00 O ATOM 32 O5' C A 9 -0.137 -7.075 -7.652 1.00 0.00 O ATOM 33 C5' C A 9 0.050 -8.390 -8.173 1.00 0.00 C ATOM 34 C4' C A 9 1.060 -9.147 -7.340 1.00 0.00 C ATOM 35 O4' C A 9 2.360 -8.516 -7.490 1.00 0.00 O ATOM 36 C3' C A 9 0.804 -9.152 -5.838 1.00 0.00 C ATOM 37 O3' C A 9 -0.085 -10.205 -5.471 1.00 0.00 O ATOM 38 C2' C A 9 2.203 -9.334 -5.258 1.00 0.00 C ATOM 39 O2' C A 9 2.609 -10.689 -5.303 1.00 0.00 O ATOM 40 C1' C A 9 3.051 -8.540 -6.253 1.00 0.00 C ATOM 41 N1 C A 9 3.318 -7.146 -5.839 1.00 0.00 N ATOM 42 C2 C A 9 4.422 -6.879 -5.011 1.00 0.00 C ATOM 43 O2 C A 9 5.148 -7.819 -4.644 1.00 0.00 O ATOM 44 N3 C A 9 4.669 -5.604 -4.633 1.00 0.00 N ATOM 45 C4 C A 9 3.869 -4.619 -5.045 1.00 0.00 C ATOM 46 N4 C A 9 4.152 -3.376 -4.647 1.00 0.00 N ATOM 47 C5 C A 9 2.742 -4.860 -5.882 1.00 0.00 C ATOM 48 C6 C A 9 2.507 -6.125 -6.254 1.00 0.00 C ATOM 0 H5' C A 9 0.391 -8.334 -9.207 1.00 0.00 H new ATOM 0 H5'' C A 9 -0.900 -8.924 -8.179 1.00 0.00 H new ATOM 0 H4' C A 9 0.995 -10.172 -7.705 1.00 0.00 H new ATOM 0 H3' C A 9 0.316 -8.249 -5.470 1.00 0.00 H new ATOM 0 H2' C A 9 2.277 -9.021 -4.216 1.00 0.00 H new ATOM 0 HO2' C A 9 2.081 -11.210 -4.663 1.00 0.00 H new ATOM 0 H1' C A 9 4.020 -9.036 -6.318 1.00 0.00 H new ATOM 0 H41 C A 9 3.562 -2.599 -4.943 1.00 0.00 H new ATOM 0 H42 C A 9 4.959 -3.204 -4.047 1.00 0.00 H new ATOM 0 H5 C A 9 2.101 -4.053 -6.205 1.00 0.00 H new ATOM 0 H6 C A 9 1.663 -6.343 -6.892 1.00 0.00 H new ATOM 60 P G A 10 -0.667 -10.279 -3.971 1.00 0.00 P ATOM 61 OP1 G A 10 -1.831 -11.201 -3.980 1.00 0.00 O ATOM 62 OP2 G A 10 -0.839 -8.887 -3.475 1.00 0.00 O ATOM 63 O5' G A 10 0.505 -10.972 -3.143 1.00 0.00 O ATOM 64 C5' G A 10 0.659 -10.740 -1.746 1.00 0.00 C ATOM 65 C4' G A 10 2.107 -10.455 -1.426 1.00 0.00 C ATOM 66 O4' G A 10 2.502 -9.254 -2.145 1.00 0.00 O ATOM 67 C3' G A 10 2.409 -10.187 0.050 1.00 0.00 C ATOM 68 O3' G A 10 3.608 -10.835 0.457 1.00 0.00 O ATOM 69 C2' G A 10 2.523 -8.667 0.128 1.00 0.00 C ATOM 70 O2' G A 10 3.468 -8.263 1.099 1.00 0.00 O ATOM 71 C1' G A 10 3.090 -8.339 -1.249 1.00 0.00 C ATOM 72 N9 G A 10 2.796 -6.980 -1.697 1.00 0.00 N ATOM 73 C8 G A 10 1.896 -6.595 -2.663 1.00 0.00 C ATOM 74 N7 G A 10 1.851 -5.304 -2.840 1.00 0.00 N ATOM 75 C5 G A 10 2.778 -4.801 -1.937 1.00 0.00 C ATOM 76 C6 G A 10 3.170 -3.462 -1.668 1.00 0.00 C ATOM 77 O6 G A 10 2.759 -2.417 -2.191 1.00 0.00 O ATOM 78 N1 G A 10 4.143 -3.403 -0.677 1.00 0.00 N ATOM 79 C2 G A 10 4.672 -4.489 -0.023 1.00 0.00 C ATOM 80 N2 G A 10 5.602 -4.225 0.905 1.00 0.00 N ATOM 81 N3 G A 10 4.316 -5.741 -0.262 1.00 0.00 N ATOM 82 C4 G A 10 3.372 -5.822 -1.225 1.00 0.00 C ATOM 0 H5' G A 10 0.319 -11.610 -1.185 1.00 0.00 H new ATOM 0 H5'' G A 10 0.038 -9.899 -1.438 1.00 0.00 H new ATOM 0 H4' G A 10 2.650 -11.356 -1.712 1.00 0.00 H new ATOM 0 H3' G A 10 1.641 -10.576 0.719 1.00 0.00 H new ATOM 0 H2' G A 10 1.581 -8.184 0.389 1.00 0.00 H new ATOM 0 HO2' G A 10 3.015 -7.758 1.806 1.00 0.00 H new ATOM 0 H1' G A 10 4.177 -8.411 -1.206 1.00 0.00 H new ATOM 0 H8 G A 10 1.287 -7.292 -3.219 1.00 0.00 H new ATOM 0 H1 G A 10 4.492 -2.481 -0.415 1.00 0.00 H new ATOM 0 H21 G A 10 6.034 -4.988 1.426 1.00 0.00 H new ATOM 0 H22 G A 10 5.878 -3.261 1.090 1.00 0.00 H new ATOM 94 P U A 11 3.703 -11.495 1.920 1.00 0.00 P ATOM 95 OP1 U A 11 5.066 -12.065 2.073 1.00 0.00 O ATOM 96 OP2 U A 11 2.518 -12.378 2.089 1.00 0.00 O ATOM 97 O5' U A 11 3.575 -10.256 2.916 1.00 0.00 O ATOM 98 C5' U A 11 2.308 -9.848 3.433 1.00 0.00 C ATOM 99 C4' U A 11 2.478 -8.659 4.352 1.00 0.00 C ATOM 100 O4' U A 11 2.627 -7.464 3.534 1.00 0.00 O ATOM 101 C3' U A 11 1.297 -8.390 5.286 1.00 0.00 C ATOM 102 O3' U A 11 1.692 -8.047 6.631 1.00 0.00 O ATOM 103 C2' U A 11 0.529 -7.278 4.576 1.00 0.00 C ATOM 104 O2' U A 11 -0.129 -6.438 5.503 1.00 0.00 O ATOM 105 C1' U A 11 1.664 -6.503 3.912 1.00 0.00 C ATOM 106 N1 U A 11 1.277 -5.732 2.720 1.00 0.00 N ATOM 107 C2 U A 11 1.450 -4.354 2.755 1.00 0.00 C ATOM 108 O2 U A 11 1.906 -3.761 3.721 1.00 0.00 O ATOM 109 N3 U A 11 1.070 -3.694 1.613 1.00 0.00 N ATOM 110 C4 U A 11 0.549 -4.252 0.465 1.00 0.00 C ATOM 111 O4 U A 11 0.254 -3.523 -0.484 1.00 0.00 O ATOM 112 C5 U A 11 0.404 -5.673 0.507 1.00 0.00 C ATOM 113 C6 U A 11 0.762 -6.352 1.601 1.00 0.00 C ATOM 0 H5' U A 11 1.845 -10.673 3.975 1.00 0.00 H new ATOM 0 H5'' U A 11 1.638 -9.590 2.613 1.00 0.00 H new ATOM 0 H4' U A 11 3.344 -8.892 4.971 1.00 0.00 H new ATOM 0 H3' U A 11 0.687 -9.279 5.448 1.00 0.00 H new ATOM 0 H2' U A 11 -0.242 -7.647 3.899 1.00 0.00 H new ATOM 0 HO2' U A 11 -0.015 -5.502 5.235 1.00 0.00 H new ATOM 0 H1' U A 11 2.025 -5.764 4.627 1.00 0.00 H new ATOM 0 H3 U A 11 1.186 -2.681 1.614 1.00 0.00 H new ATOM 0 H5 U A 11 0.004 -6.199 -0.347 1.00 0.00 H new ATOM 0 H6 U A 11 0.644 -7.425 1.609 1.00 0.00 H new ATOM 124 P U A 12 2.779 -6.880 6.915 1.00 0.00 P ATOM 125 OP1 U A 12 3.873 -6.946 5.914 1.00 0.00 O ATOM 126 OP2 U A 12 3.113 -6.973 8.361 1.00 0.00 O ATOM 127 O5' U A 12 1.981 -5.520 6.677 1.00 0.00 O ATOM 128 C5' U A 12 1.232 -4.904 7.725 1.00 0.00 C ATOM 129 C4' U A 12 1.150 -3.411 7.499 1.00 0.00 C ATOM 130 O4' U A 12 0.882 -3.166 6.088 1.00 0.00 O ATOM 131 C3' U A 12 0.040 -2.694 8.266 1.00 0.00 C ATOM 132 O3' U A 12 0.474 -1.424 8.743 1.00 0.00 O ATOM 133 C2' U A 12 -1.077 -2.562 7.235 1.00 0.00 C ATOM 134 O2' U A 12 -1.858 -1.404 7.460 1.00 0.00 O ATOM 135 C1' U A 12 -0.272 -2.363 5.955 1.00 0.00 C ATOM 136 N1 U A 12 -0.976 -2.750 4.722 1.00 0.00 N ATOM 137 C2 U A 12 -1.321 -1.746 3.827 1.00 0.00 C ATOM 138 O2 U A 12 -1.061 -0.568 4.012 1.00 0.00 O ATOM 139 N3 U A 12 -1.981 -2.175 2.702 1.00 0.00 N ATOM 140 C4 U A 12 -2.323 -3.472 2.383 1.00 0.00 C ATOM 141 O4 U A 12 -2.918 -3.700 1.329 1.00 0.00 O ATOM 142 C5 U A 12 -1.931 -4.446 3.353 1.00 0.00 C ATOM 143 C6 U A 12 -1.287 -4.066 4.462 1.00 0.00 C ATOM 0 H5' U A 12 1.702 -5.108 8.687 1.00 0.00 H new ATOM 0 H5'' U A 12 0.229 -5.329 7.764 1.00 0.00 H new ATOM 0 H4' U A 12 2.105 -3.021 7.852 1.00 0.00 H new ATOM 0 H3' U A 12 -0.277 -3.233 9.159 1.00 0.00 H new ATOM 0 H2' U A 12 -1.769 -3.405 7.239 1.00 0.00 H new ATOM 0 HO2' U A 12 -2.563 -1.348 6.782 1.00 0.00 H new ATOM 0 H1' U A 12 -0.063 -1.298 5.849 1.00 0.00 H new ATOM 0 H3 U A 12 -2.247 -1.456 2.029 1.00 0.00 H new ATOM 0 H5 U A 12 -2.155 -5.490 3.190 1.00 0.00 H new ATOM 0 H6 U A 12 -1.000 -4.820 5.180 1.00 0.00 H new ATOM 154 P G A 13 -0.111 -0.843 10.126 1.00 0.00 P ATOM 155 OP1 G A 13 0.925 -1.027 11.173 1.00 0.00 O ATOM 156 OP2 G A 13 -1.472 -1.406 10.335 1.00 0.00 O ATOM 157 O5' G A 13 -0.263 0.719 9.851 1.00 0.00 O ATOM 158 C5' G A 13 -1.236 1.212 8.933 1.00 0.00 C ATOM 159 C4' G A 13 -0.737 2.476 8.274 1.00 0.00 C ATOM 160 O4' G A 13 -0.441 2.205 6.887 1.00 0.00 O ATOM 161 C3' G A 13 -1.737 3.619 8.202 1.00 0.00 C ATOM 162 O3' G A 13 -1.775 4.356 9.421 1.00 0.00 O ATOM 163 C2' G A 13 -1.227 4.457 7.027 1.00 0.00 C ATOM 164 O2' G A 13 -0.254 5.392 7.454 1.00 0.00 O ATOM 165 C1' G A 13 -0.531 3.409 6.151 1.00 0.00 C ATOM 166 N9 G A 13 -1.239 3.139 4.902 1.00 0.00 N ATOM 167 C8 G A 13 -2.006 2.039 4.605 1.00 0.00 C ATOM 168 N7 G A 13 -2.521 2.079 3.407 1.00 0.00 N ATOM 169 C5 G A 13 -2.063 3.277 2.876 1.00 0.00 C ATOM 170 C6 G A 13 -2.291 3.867 1.602 1.00 0.00 C ATOM 171 O6 G A 13 -2.968 3.437 0.657 1.00 0.00 O ATOM 172 N1 G A 13 -1.634 5.086 1.479 1.00 0.00 N ATOM 173 C2 G A 13 -0.859 5.668 2.452 1.00 0.00 C ATOM 174 N2 G A 13 -0.305 6.847 2.137 1.00 0.00 N ATOM 175 N3 G A 13 -0.641 5.133 3.643 1.00 0.00 N ATOM 176 C4 G A 13 -1.269 3.944 3.786 1.00 0.00 C ATOM 0 H5' G A 13 -2.172 1.410 9.455 1.00 0.00 H new ATOM 0 H5'' G A 13 -1.448 0.457 8.176 1.00 0.00 H new ATOM 0 H4' G A 13 0.110 2.771 8.893 1.00 0.00 H new ATOM 0 H3' G A 13 -2.765 3.286 8.058 1.00 0.00 H new ATOM 0 H2' G A 13 -2.022 5.018 6.537 1.00 0.00 H new ATOM 0 HO2' G A 13 -0.672 6.051 8.047 1.00 0.00 H new ATOM 0 H1' G A 13 0.450 3.804 5.885 1.00 0.00 H new ATOM 0 H8 G A 13 -2.167 1.223 5.294 1.00 0.00 H new ATOM 0 H1 G A 13 -1.736 5.588 0.597 1.00 0.00 H new ATOM 0 H21 G A 13 0.282 7.332 2.816 1.00 0.00 H new ATOM 0 H22 G A 13 -0.470 7.259 1.219 1.00 0.00 H new ATOM 188 P A A 14 -2.893 5.495 9.640 1.00 0.00 P ATOM 189 OP1 A A 14 -2.399 6.749 9.017 1.00 0.00 O ATOM 190 OP2 A A 14 -3.258 5.485 11.079 1.00 0.00 O ATOM 191 O5' A A 14 -4.152 4.979 8.809 1.00 0.00 O ATOM 192 C5' A A 14 -5.187 5.875 8.411 1.00 0.00 C ATOM 193 C4' A A 14 -4.935 6.380 7.008 1.00 0.00 C ATOM 194 O4' A A 14 -4.062 5.450 6.312 1.00 0.00 O ATOM 195 C3' A A 14 -6.177 6.480 6.133 1.00 0.00 C ATOM 196 O3' A A 14 -6.821 7.739 6.297 1.00 0.00 O ATOM 197 C2' A A 14 -5.624 6.294 4.724 1.00 0.00 C ATOM 198 O2' A A 14 -5.077 7.500 4.222 1.00 0.00 O ATOM 199 C1' A A 14 -4.480 5.308 4.965 1.00 0.00 C ATOM 200 N9 A A 14 -4.840 3.905 4.742 1.00 0.00 N ATOM 201 C8 A A 14 -4.799 2.883 5.660 1.00 0.00 C ATOM 202 N7 A A 14 -5.185 1.726 5.181 1.00 0.00 N ATOM 203 C5 A A 14 -5.497 1.999 3.857 1.00 0.00 C ATOM 204 C6 A A 14 -5.963 1.186 2.810 1.00 0.00 C ATOM 205 N6 A A 14 -6.212 -0.120 2.940 1.00 0.00 N ATOM 206 N1 A A 14 -6.171 1.765 1.608 1.00 0.00 N ATOM 207 C2 A A 14 -5.923 3.074 1.476 1.00 0.00 C ATOM 208 N3 A A 14 -5.485 3.944 2.386 1.00 0.00 N ATOM 209 C4 A A 14 -5.288 3.337 3.570 1.00 0.00 C ATOM 0 H5' A A 14 -5.236 6.715 9.104 1.00 0.00 H new ATOM 0 H5'' A A 14 -6.152 5.369 8.455 1.00 0.00 H new ATOM 0 H4' A A 14 -4.516 7.377 7.146 1.00 0.00 H new ATOM 0 H3' A A 14 -6.943 5.745 6.380 1.00 0.00 H new ATOM 0 H2' A A 14 -6.382 5.971 4.010 1.00 0.00 H new ATOM 0 HO2' A A 14 -5.436 8.258 4.729 1.00 0.00 H new ATOM 0 H1' A A 14 -3.696 5.546 4.246 1.00 0.00 H new ATOM 0 H8 A A 14 -4.478 3.021 6.682 1.00 0.00 H new ATOM 0 H61 A A 14 -6.549 -0.657 2.141 1.00 0.00 H new ATOM 0 H62 A A 14 -6.065 -0.580 3.838 1.00 0.00 H new ATOM 0 H2 A A 14 -6.103 3.483 0.493 1.00 0.00 H new ATOM 221 P A A 15 -8.427 7.821 6.321 1.00 0.00 P ATOM 222 OP1 A A 15 -8.810 9.193 6.744 1.00 0.00 O ATOM 223 OP2 A A 15 -8.939 6.651 7.081 1.00 0.00 O ATOM 224 O5' A A 15 -8.846 7.642 4.795 1.00 0.00 O ATOM 225 C5' A A 15 -8.336 8.513 3.789 1.00 0.00 C ATOM 226 C4' A A 15 -8.094 7.747 2.506 1.00 0.00 C ATOM 227 O4' A A 15 -7.947 6.334 2.828 1.00 0.00 O ATOM 228 C3' A A 15 -9.222 7.835 1.477 1.00 0.00 C ATOM 229 O3' A A 15 -8.795 8.006 0.111 1.00 0.00 O ATOM 230 C2' A A 15 -9.990 6.531 1.670 1.00 0.00 C ATOM 231 O2' A A 15 -10.512 6.046 0.456 1.00 0.00 O ATOM 232 C1' A A 15 -8.886 5.575 2.096 1.00 0.00 C ATOM 233 N9 A A 15 -9.368 4.478 2.935 1.00 0.00 N ATOM 234 C8 A A 15 -9.153 4.309 4.276 1.00 0.00 C ATOM 235 N7 A A 15 -9.708 3.230 4.771 1.00 0.00 N ATOM 236 C5 A A 15 -10.339 2.650 3.680 1.00 0.00 C ATOM 237 C6 A A 15 -11.109 1.482 3.543 1.00 0.00 C ATOM 238 N6 A A 15 -11.384 0.653 4.553 1.00 0.00 N ATOM 239 N1 A A 15 -11.593 1.189 2.317 1.00 0.00 N ATOM 240 C2 A A 15 -11.317 2.020 1.304 1.00 0.00 C ATOM 241 N3 A A 15 -10.604 3.145 1.307 1.00 0.00 N ATOM 242 C4 A A 15 -10.137 3.408 2.540 1.00 0.00 C ATOM 0 H5' A A 15 -7.406 8.969 4.130 1.00 0.00 H new ATOM 0 H5'' A A 15 -9.041 9.324 3.609 1.00 0.00 H new ATOM 0 H4' A A 15 -7.206 8.200 2.065 1.00 0.00 H new ATOM 0 H3' A A 15 -9.820 8.730 1.644 1.00 0.00 H new ATOM 0 H2' A A 15 -10.826 6.646 2.360 1.00 0.00 H new ATOM 0 HO2' A A 15 -11.390 6.449 0.293 1.00 0.00 H new ATOM 0 H1' A A 15 -8.457 5.118 1.204 1.00 0.00 H new ATOM 0 H8 A A 15 -8.578 5.002 4.872 1.00 0.00 H new ATOM 0 H61 A A 15 -11.949 -0.180 4.390 1.00 0.00 H new ATOM 0 H62 A A 15 -11.029 0.853 5.488 1.00 0.00 H new ATOM 0 H2 A A 15 -11.732 1.738 0.348 1.00 0.00 H new ATOM 254 P U A 16 -7.356 7.470 -0.399 1.00 0.00 P ATOM 255 OP1 U A 16 -6.748 6.507 0.554 1.00 0.00 O ATOM 256 OP2 U A 16 -6.576 8.661 -0.824 1.00 0.00 O ATOM 257 O5' U A 16 -7.715 6.643 -1.712 1.00 0.00 O ATOM 258 C5' U A 16 -8.505 5.457 -1.631 1.00 0.00 C ATOM 259 C4' U A 16 -9.348 5.288 -2.880 1.00 0.00 C ATOM 260 O4' U A 16 -10.683 4.874 -2.472 1.00 0.00 O ATOM 261 C3' U A 16 -9.538 6.534 -3.744 1.00 0.00 C ATOM 262 O3' U A 16 -9.456 6.209 -5.127 1.00 0.00 O ATOM 263 C2' U A 16 -10.917 7.049 -3.344 1.00 0.00 C ATOM 264 O2' U A 16 -11.572 7.673 -4.432 1.00 0.00 O ATOM 265 C1' U A 16 -11.645 5.747 -3.022 1.00 0.00 C ATOM 266 N1 U A 16 -12.746 5.900 -2.058 1.00 0.00 N ATOM 267 C2 U A 16 -14.050 5.827 -2.530 1.00 0.00 C ATOM 268 O2 U A 16 -14.327 5.636 -3.705 1.00 0.00 O ATOM 269 N3 U A 16 -15.021 5.986 -1.572 1.00 0.00 N ATOM 270 C4 U A 16 -14.830 6.205 -0.223 1.00 0.00 C ATOM 271 O4 U A 16 -15.808 6.328 0.517 1.00 0.00 O ATOM 272 C5 U A 16 -13.459 6.265 0.180 1.00 0.00 C ATOM 273 C6 U A 16 -12.491 6.113 -0.722 1.00 0.00 C ATOM 0 H5' U A 16 -9.151 5.503 -0.754 1.00 0.00 H new ATOM 0 H5'' U A 16 -7.857 4.590 -1.504 1.00 0.00 H new ATOM 0 H4' U A 16 -8.802 4.565 -3.486 1.00 0.00 H new ATOM 0 H3' U A 16 -8.767 7.288 -3.590 1.00 0.00 H new ATOM 0 H2' U A 16 -10.882 7.784 -2.540 1.00 0.00 H new ATOM 0 HO2' U A 16 -11.120 7.432 -5.268 1.00 0.00 H new ATOM 0 H1' U A 16 -12.097 5.374 -3.941 1.00 0.00 H new ATOM 0 H3 U A 16 -15.988 5.937 -1.892 1.00 0.00 H new ATOM 0 H5 U A 16 -13.208 6.434 1.217 1.00 0.00 H new ATOM 0 H6 U A 16 -11.464 6.159 -0.392 1.00 0.00 H new ATOM 284 P C A 17 -8.023 6.179 -5.856 1.00 0.00 P ATOM 285 OP1 C A 17 -7.452 7.549 -5.815 1.00 0.00 O ATOM 286 OP2 C A 17 -8.204 5.499 -7.164 1.00 0.00 O ATOM 287 O5' C A 17 -7.131 5.238 -4.928 1.00 0.00 O ATOM 288 C5' C A 17 -5.754 5.013 -5.221 1.00 0.00 C ATOM 289 C4' C A 17 -5.532 3.574 -5.636 1.00 0.00 C ATOM 290 O4' C A 17 -5.628 2.734 -4.452 1.00 0.00 O ATOM 291 C3' C A 17 -6.543 3.016 -6.640 1.00 0.00 C ATOM 292 O3' C A 17 -5.956 2.233 -7.695 1.00 0.00 O ATOM 293 C2' C A 17 -7.510 2.213 -5.770 1.00 0.00 C ATOM 294 O2' C A 17 -8.016 1.088 -6.462 1.00 0.00 O ATOM 295 C1' C A 17 -6.587 1.721 -4.661 1.00 0.00 C ATOM 296 N1 C A 17 -7.257 1.437 -3.378 1.00 0.00 N ATOM 297 C2 C A 17 -7.367 0.103 -2.950 1.00 0.00 C ATOM 298 O2 C A 17 -6.904 -0.804 -3.663 1.00 0.00 O ATOM 299 N3 C A 17 -7.971 -0.162 -1.770 1.00 0.00 N ATOM 300 C4 C A 17 -8.459 0.835 -1.029 1.00 0.00 C ATOM 301 N4 C A 17 -9.042 0.523 0.129 1.00 0.00 N ATOM 302 C5 C A 17 -8.367 2.198 -1.440 1.00 0.00 C ATOM 303 C6 C A 17 -7.764 2.450 -2.610 1.00 0.00 C ATOM 0 H5' C A 17 -5.147 5.244 -4.346 1.00 0.00 H new ATOM 0 H5'' C A 17 -5.431 5.682 -6.018 1.00 0.00 H new ATOM 0 H4' C A 17 -4.555 3.565 -6.119 1.00 0.00 H new ATOM 0 H3' C A 17 -7.036 3.813 -7.197 1.00 0.00 H new ATOM 0 H2' C A 17 -8.373 2.794 -5.446 1.00 0.00 H new ATOM 0 HO2' C A 17 -7.487 0.938 -7.273 1.00 0.00 H new ATOM 0 H1' C A 17 -6.162 0.771 -4.986 1.00 0.00 H new ATOM 0 H41 C A 17 -9.426 1.259 0.721 1.00 0.00 H new ATOM 0 H42 C A 17 -9.104 -0.452 0.422 1.00 0.00 H new ATOM 0 H5 C A 17 -8.768 2.996 -0.832 1.00 0.00 H new ATOM 0 H6 C A 17 -7.677 3.470 -2.953 1.00 0.00 H new ATOM 315 P U A 18 -4.685 1.271 -7.419 1.00 0.00 P ATOM 316 OP1 U A 18 -4.381 0.626 -8.722 1.00 0.00 O ATOM 317 OP2 U A 18 -4.927 0.421 -6.229 1.00 0.00 O ATOM 318 O5' U A 18 -3.486 2.270 -7.091 1.00 0.00 O ATOM 319 C5' U A 18 -2.128 1.864 -7.256 1.00 0.00 C ATOM 320 C4' U A 18 -1.257 2.497 -6.194 1.00 0.00 C ATOM 321 O4' U A 18 -1.929 2.383 -4.907 1.00 0.00 O ATOM 322 C3' U A 18 0.110 1.842 -6.006 1.00 0.00 C ATOM 323 O3' U A 18 1.110 2.812 -5.707 1.00 0.00 O ATOM 324 C2' U A 18 -0.116 0.883 -4.842 1.00 0.00 C ATOM 325 O2' U A 18 1.067 0.691 -4.090 1.00 0.00 O ATOM 326 C1' U A 18 -1.105 1.681 -3.995 1.00 0.00 C ATOM 327 N1 U A 18 -1.964 0.868 -3.117 1.00 0.00 N ATOM 328 C2 U A 18 -1.411 0.341 -1.955 1.00 0.00 C ATOM 329 O2 U A 18 -0.246 0.514 -1.631 1.00 0.00 O ATOM 330 N3 U A 18 -2.276 -0.399 -1.188 1.00 0.00 N ATOM 331 C4 U A 18 -3.602 -0.663 -1.450 1.00 0.00 C ATOM 332 O4 U A 18 -4.253 -1.348 -0.659 1.00 0.00 O ATOM 333 C5 U A 18 -4.095 -0.087 -2.662 1.00 0.00 C ATOM 334 C6 U A 18 -3.282 0.639 -3.438 1.00 0.00 C ATOM 0 H5' U A 18 -1.773 2.152 -8.246 1.00 0.00 H new ATOM 0 H5'' U A 18 -2.056 0.778 -7.195 1.00 0.00 H new ATOM 0 H4' U A 18 -1.099 3.522 -6.531 1.00 0.00 H new ATOM 0 H3' U A 18 0.470 1.335 -6.902 1.00 0.00 H new ATOM 0 H2' U A 18 -0.444 -0.108 -5.157 1.00 0.00 H new ATOM 0 HO2' U A 18 0.839 0.584 -3.143 1.00 0.00 H new ATOM 0 H1' U A 18 -0.531 2.323 -3.326 1.00 0.00 H new ATOM 0 H3 U A 18 -1.895 -0.797 -0.330 1.00 0.00 H new ATOM 0 H5 U A 18 -5.124 -0.238 -2.951 1.00 0.00 H new ATOM 0 H6 U A 18 -3.675 1.061 -4.351 1.00 0.00 H new ATOM 345 P C A 19 1.761 3.689 -6.890 1.00 0.00 P ATOM 346 OP1 C A 19 0.801 3.738 -8.023 1.00 0.00 O ATOM 347 OP2 C A 19 3.140 3.180 -7.121 1.00 0.00 O ATOM 348 O5' C A 19 1.842 5.155 -6.268 1.00 0.00 O ATOM 349 C5' C A 19 3.088 5.830 -6.123 1.00 0.00 C ATOM 350 C4' C A 19 3.221 6.387 -4.725 1.00 0.00 C ATOM 351 O4' C A 19 1.995 7.078 -4.357 1.00 0.00 O ATOM 352 C3' C A 19 3.385 5.358 -3.616 1.00 0.00 C ATOM 353 O3' C A 19 4.708 4.792 -3.570 1.00 0.00 O ATOM 354 C2' C A 19 2.952 6.155 -2.388 1.00 0.00 C ATOM 355 O2' C A 19 3.899 7.116 -1.964 1.00 0.00 O ATOM 356 C1' C A 19 1.763 6.928 -2.962 1.00 0.00 C ATOM 357 N1 C A 19 0.467 6.245 -2.764 1.00 0.00 N ATOM 358 C2 C A 19 -0.151 6.304 -1.500 1.00 0.00 C ATOM 359 O2 C A 19 0.392 6.950 -0.586 1.00 0.00 O ATOM 360 N3 C A 19 -1.322 5.659 -1.310 1.00 0.00 N ATOM 361 C4 C A 19 -1.883 4.979 -2.312 1.00 0.00 C ATOM 362 N4 C A 19 -3.029 4.340 -2.064 1.00 0.00 N ATOM 363 C5 C A 19 -1.291 4.917 -3.609 1.00 0.00 C ATOM 364 C6 C A 19 -0.127 5.557 -3.788 1.00 0.00 C ATOM 0 H5' C A 19 3.159 6.637 -6.852 1.00 0.00 H new ATOM 0 H5'' C A 19 3.908 5.142 -6.328 1.00 0.00 H new ATOM 0 H4' C A 19 4.116 7.006 -4.786 1.00 0.00 H new ATOM 0 H3' C A 19 2.791 4.452 -3.737 1.00 0.00 H new ATOM 0 H2' C A 19 2.780 5.507 -1.528 1.00 0.00 H new ATOM 0 HO2' C A 19 4.598 6.676 -1.437 1.00 0.00 H new ATOM 0 H1' C A 19 1.693 7.882 -2.440 1.00 0.00 H new ATOM 0 H41 C A 19 -3.488 3.810 -2.805 1.00 0.00 H new ATOM 0 H42 C A 19 -3.445 4.382 -1.134 1.00 0.00 H new ATOM 0 H5 C A 19 -1.763 4.375 -4.415 1.00 0.00 H new ATOM 0 H6 C A 19 0.350 5.530 -4.756 1.00 0.00 H new ATOM 376 P A A 20 5.992 5.692 -3.180 1.00 0.00 P ATOM 377 OP1 A A 20 5.814 7.080 -3.676 1.00 0.00 O ATOM 378 OP2 A A 20 7.187 4.916 -3.599 1.00 0.00 O ATOM 379 O5' A A 20 5.984 5.720 -1.586 1.00 0.00 O ATOM 380 C5' A A 20 5.582 4.581 -0.827 1.00 0.00 C ATOM 381 C4' A A 20 5.200 4.998 0.573 1.00 0.00 C ATOM 382 O4' A A 20 3.768 4.808 0.742 1.00 0.00 O ATOM 383 C3' A A 20 5.867 4.208 1.694 1.00 0.00 C ATOM 384 O3' A A 20 6.302 5.031 2.767 1.00 0.00 O ATOM 385 C2' A A 20 4.821 3.185 2.109 1.00 0.00 C ATOM 386 O2' A A 20 4.878 2.936 3.500 1.00 0.00 O ATOM 387 C1' A A 20 3.518 3.914 1.808 1.00 0.00 C ATOM 388 N9 A A 20 2.447 3.000 1.400 1.00 0.00 N ATOM 389 C8 A A 20 1.421 3.250 0.526 1.00 0.00 C ATOM 390 N7 A A 20 0.610 2.232 0.356 1.00 0.00 N ATOM 391 C5 A A 20 1.148 1.240 1.164 1.00 0.00 C ATOM 392 C6 A A 20 0.762 -0.088 1.422 1.00 0.00 C ATOM 393 N6 A A 20 -0.307 -0.670 0.876 1.00 0.00 N ATOM 394 N1 A A 20 1.525 -0.809 2.274 1.00 0.00 N ATOM 395 C2 A A 20 2.599 -0.223 2.823 1.00 0.00 C ATOM 396 N3 A A 20 3.050 1.010 2.668 1.00 0.00 N ATOM 397 C4 A A 20 2.276 1.699 1.814 1.00 0.00 C ATOM 0 H5' A A 20 6.394 3.855 -0.790 1.00 0.00 H new ATOM 0 H5'' A A 20 4.738 4.091 -1.312 1.00 0.00 H new ATOM 0 H4' A A 20 5.529 6.034 0.658 1.00 0.00 H new ATOM 0 H3' A A 20 6.789 3.730 1.364 1.00 0.00 H new ATOM 0 H2' A A 20 4.946 2.227 1.605 1.00 0.00 H new ATOM 0 HO2' A A 20 4.279 2.194 3.724 1.00 0.00 H new ATOM 0 H1' A A 20 3.191 4.424 2.714 1.00 0.00 H new ATOM 0 H8 A A 20 1.292 4.197 0.024 1.00 0.00 H new ATOM 0 H61 A A 20 -0.533 -1.638 1.105 1.00 0.00 H new ATOM 0 H62 A A 20 -0.898 -0.147 0.230 1.00 0.00 H new ATOM 0 H2 A A 20 3.178 -0.848 3.487 1.00 0.00 H new ATOM 409 P C A 21 7.813 4.889 3.295 1.00 0.00 P ATOM 410 OP1 C A 21 7.763 4.140 4.578 1.00 0.00 O ATOM 411 OP2 C A 21 8.454 6.227 3.251 1.00 0.00 O ATOM 412 O5' C A 21 8.503 3.963 2.192 1.00 0.00 O ATOM 413 C5' C A 21 9.654 3.182 2.492 1.00 0.00 C ATOM 414 C4' C A 21 9.284 1.718 2.631 1.00 0.00 C ATOM 415 O4' C A 21 7.841 1.545 2.719 1.00 0.00 O ATOM 416 C3' C A 21 9.647 0.816 1.463 1.00 0.00 C ATOM 417 O3' C A 21 11.061 0.561 1.355 1.00 0.00 O ATOM 418 C2' C A 21 8.775 -0.412 1.731 1.00 0.00 C ATOM 419 O2' C A 21 9.272 -1.255 2.751 1.00 0.00 O ATOM 420 C1' C A 21 7.503 0.237 2.275 1.00 0.00 C ATOM 421 N1 C A 21 6.411 0.298 1.279 1.00 0.00 N ATOM 422 C2 C A 21 5.442 -0.720 1.292 1.00 0.00 C ATOM 423 O2 C A 21 5.512 -1.614 2.153 1.00 0.00 O ATOM 424 N3 C A 21 4.456 -0.706 0.368 1.00 0.00 N ATOM 425 C4 C A 21 4.406 0.269 -0.541 1.00 0.00 C ATOM 426 N4 C A 21 3.420 0.230 -1.442 1.00 0.00 N ATOM 427 C5 C A 21 5.364 1.323 -0.570 1.00 0.00 C ATOM 428 C6 C A 21 6.338 1.301 0.351 1.00 0.00 C ATOM 0 H5' C A 21 10.110 3.537 3.416 1.00 0.00 H new ATOM 0 H5'' C A 21 10.397 3.302 1.704 1.00 0.00 H new ATOM 0 H4' C A 21 9.849 1.437 3.520 1.00 0.00 H new ATOM 0 H3' C A 21 9.452 1.252 0.483 1.00 0.00 H new ATOM 0 H2' C A 21 8.687 -1.035 0.841 1.00 0.00 H new ATOM 0 HO2' C A 21 9.660 -0.709 3.467 1.00 0.00 H new ATOM 0 H1' C A 21 7.124 -0.375 3.093 1.00 0.00 H new ATOM 0 H41 C A 21 3.349 0.958 -2.153 1.00 0.00 H new ATOM 0 H42 C A 21 2.738 -0.528 -1.419 1.00 0.00 H new ATOM 0 H5 C A 21 5.308 2.111 -1.307 1.00 0.00 H new ATOM 0 H6 C A 21 7.077 2.088 0.361 1.00 0.00 H new ATOM 440 P G A 22 11.858 -0.255 2.500 1.00 0.00 P ATOM 441 OP1 G A 22 11.186 -0.102 3.816 1.00 0.00 O ATOM 442 OP2 G A 22 13.284 0.139 2.362 1.00 0.00 O ATOM 443 O5' G A 22 11.739 -1.779 2.042 1.00 0.00 O ATOM 444 C5' G A 22 12.649 -2.763 2.528 1.00 0.00 C ATOM 445 C4' G A 22 12.394 -4.097 1.862 1.00 0.00 C ATOM 446 O4' G A 22 10.973 -4.395 1.899 1.00 0.00 O ATOM 447 C3' G A 22 12.747 -4.180 0.386 1.00 0.00 C ATOM 448 O3' G A 22 14.136 -4.426 0.187 1.00 0.00 O ATOM 449 C2' G A 22 11.879 -5.339 -0.090 1.00 0.00 C ATOM 450 O2' G A 22 12.434 -6.589 0.277 1.00 0.00 O ATOM 451 C1' G A 22 10.609 -5.111 0.728 1.00 0.00 C ATOM 452 N9 G A 22 9.587 -4.346 0.016 1.00 0.00 N ATOM 453 C8 G A 22 9.323 -3.005 0.141 1.00 0.00 C ATOM 454 N7 G A 22 8.354 -2.595 -0.628 1.00 0.00 N ATOM 455 C5 G A 22 7.946 -3.737 -1.303 1.00 0.00 C ATOM 456 C6 G A 22 6.926 -3.914 -2.272 1.00 0.00 C ATOM 457 O6 G A 22 6.155 -3.068 -2.741 1.00 0.00 O ATOM 458 N1 G A 22 6.847 -5.236 -2.696 1.00 0.00 N ATOM 459 C2 G A 22 7.646 -6.258 -2.249 1.00 0.00 C ATOM 460 N2 G A 22 7.415 -7.466 -2.781 1.00 0.00 N ATOM 461 N3 G A 22 8.601 -6.107 -1.345 1.00 0.00 N ATOM 462 C4 G A 22 8.696 -4.829 -0.918 1.00 0.00 C ATOM 0 H5' G A 22 12.542 -2.863 3.608 1.00 0.00 H new ATOM 0 H5'' G A 22 13.674 -2.445 2.337 1.00 0.00 H new ATOM 0 H4' G A 22 13.031 -4.783 2.420 1.00 0.00 H new ATOM 0 H3' G A 22 12.564 -3.255 -0.161 1.00 0.00 H new ATOM 0 H2' G A 22 11.752 -5.365 -1.172 1.00 0.00 H new ATOM 0 HO2' G A 22 11.853 -7.311 -0.042 1.00 0.00 H new ATOM 0 H1' G A 22 10.177 -6.087 0.948 1.00 0.00 H new ATOM 0 H8 G A 22 9.865 -2.354 0.811 1.00 0.00 H new ATOM 0 H1 G A 22 6.139 -5.464 -3.394 1.00 0.00 H new ATOM 0 H21 G A 22 7.975 -8.267 -2.490 1.00 0.00 H new ATOM 0 H22 G A 22 6.679 -7.584 -3.477 1.00 0.00 H new ATOM 474 P G A 23 14.818 -4.059 -1.222 1.00 0.00 P ATOM 475 OP1 G A 23 16.265 -4.383 -1.133 1.00 0.00 O ATOM 476 OP2 G A 23 14.396 -2.680 -1.580 1.00 0.00 O ATOM 477 O5' G A 23 14.135 -5.065 -2.254 1.00 0.00 O ATOM 478 C5' G A 23 14.489 -6.447 -2.276 1.00 0.00 C ATOM 479 C4' G A 23 13.779 -7.152 -3.410 1.00 0.00 C ATOM 480 O4' G A 23 12.346 -7.013 -3.229 1.00 0.00 O ATOM 481 C3' G A 23 14.038 -6.589 -4.801 1.00 0.00 C ATOM 482 O3' G A 23 15.237 -7.109 -5.379 1.00 0.00 O ATOM 483 C2' G A 23 12.792 -7.012 -5.572 1.00 0.00 C ATOM 484 O2' G A 23 12.878 -8.359 -5.996 1.00 0.00 O ATOM 485 C1' G A 23 11.712 -6.913 -4.492 1.00 0.00 C ATOM 486 N9 G A 23 10.955 -5.664 -4.533 1.00 0.00 N ATOM 487 C8 G A 23 11.099 -4.574 -3.706 1.00 0.00 C ATOM 488 N7 G A 23 10.275 -3.602 -3.986 1.00 0.00 N ATOM 489 C5 G A 23 9.539 -4.075 -5.064 1.00 0.00 C ATOM 490 C6 G A 23 8.493 -3.462 -5.803 1.00 0.00 C ATOM 491 O6 G A 23 7.993 -2.342 -5.645 1.00 0.00 O ATOM 492 N1 G A 23 8.025 -4.293 -6.815 1.00 0.00 N ATOM 493 C2 G A 23 8.501 -5.553 -7.085 1.00 0.00 C ATOM 494 N2 G A 23 7.919 -6.198 -8.106 1.00 0.00 N ATOM 495 N3 G A 23 9.475 -6.136 -6.405 1.00 0.00 N ATOM 496 C4 G A 23 9.945 -5.347 -5.415 1.00 0.00 C ATOM 0 H5' G A 23 14.224 -6.913 -1.327 1.00 0.00 H new ATOM 0 H5'' G A 23 15.568 -6.551 -2.392 1.00 0.00 H new ATOM 0 H4' G A 23 14.160 -8.172 -3.367 1.00 0.00 H new ATOM 0 H3' G A 23 14.196 -5.511 -4.805 1.00 0.00 H new ATOM 0 H2' G A 23 12.623 -6.413 -6.467 1.00 0.00 H new ATOM 0 HO2' G A 23 13.817 -8.641 -6.002 1.00 0.00 H new ATOM 0 HO3' G A 23 15.364 -6.723 -6.271 1.00 0.00 H new ATOM 0 H1' G A 23 11.000 -7.719 -4.669 1.00 0.00 H new ATOM 0 H8 G A 23 11.822 -4.528 -2.905 1.00 0.00 H new ATOM 0 H1 G A 23 7.270 -3.940 -7.402 1.00 0.00 H new ATOM 0 H21 G A 23 8.227 -7.137 -8.358 1.00 0.00 H new ATOM 0 H22 G A 23 7.168 -5.749 -8.631 1.00 0.00 H new TER 508 G A 23