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= -0.999 USER MOD Single : A 8 C O5' : rot 180:sc= -0.109 USER MOD Single : A 9 C O2' : rot -64:sc= -1.33! USER MOD Single : A 10 G O2' : rot -106:sc= 0.952 USER MOD Single : A 11 U O2' : rot -143:sc= -0.936 USER MOD Single : A 12 U O2' : rot 136:sc= 1.29 USER MOD Single : A 13 G O2' : rot -24:sc= 0.199 USER MOD Single : A 14 A O2' : rot -18:sc= 0.16 USER MOD Single : A 15 A O2' : rot -126:sc= -4! USER MOD Single : A 16 U O2' : rot 21:sc= 0.233 USER MOD Single : A 17 C O2' : rot 18:sc= 0.212 USER MOD Single : A 18 U O2' : rot 23:sc= 0.227 USER MOD Single : A 19 C O2' : rot -17:sc= 0.0864 USER MOD Single : A 20 A O2' : rot 90:sc= 1.31 USER MOD Single : A 21 C O2' : rot -126:sc= 0.776 USER MOD Single : A 22 G O2' : rot 180:sc= -0.712 USER MOD Single : A 23 G O2' : rot -16:sc= 0.0827 USER MOD Single : A 23 G O3' : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 12.189 -6.403 -12.286 1.00 0.00 O ATOM 2 C5' C A 8 12.823 -7.662 -12.501 1.00 0.00 C ATOM 3 C4' C A 8 12.775 -8.497 -11.240 1.00 0.00 C ATOM 4 O4' C A 8 13.659 -7.905 -10.251 1.00 0.00 O ATOM 5 C3' C A 8 11.427 -8.576 -10.536 1.00 0.00 C ATOM 6 O3' C A 8 10.598 -9.591 -11.094 1.00 0.00 O ATOM 7 C2' C A 8 11.819 -8.883 -9.096 1.00 0.00 C ATOM 8 O2' C A 8 12.116 -10.256 -8.922 1.00 0.00 O ATOM 9 C1' C A 8 13.114 -8.084 -8.955 1.00 0.00 C ATOM 10 N1 C A 8 12.930 -6.757 -8.330 1.00 0.00 N ATOM 11 C2 C A 8 12.930 -6.660 -6.927 1.00 0.00 C ATOM 12 O2 C A 8 13.089 -7.688 -6.246 1.00 0.00 O ATOM 13 N3 C A 8 12.756 -5.450 -6.350 1.00 0.00 N ATOM 14 C4 C A 8 12.589 -4.365 -7.110 1.00 0.00 C ATOM 15 N4 C A 8 12.418 -3.193 -6.494 1.00 0.00 N ATOM 16 C5 C A 8 12.589 -4.432 -8.535 1.00 0.00 C ATOM 17 C6 C A 8 12.763 -5.637 -9.097 1.00 0.00 C ATOM 0 H5' C A 8 13.859 -7.508 -12.804 1.00 0.00 H new ATOM 0 H5'' C A 8 12.328 -8.192 -13.315 1.00 0.00 H new ATOM 0 H4' C A 8 13.045 -9.496 -11.581 1.00 0.00 H new ATOM 0 H3' C A 8 10.835 -7.666 -10.632 1.00 0.00 H new ATOM 0 H2' C A 8 11.034 -8.642 -8.380 1.00 0.00 H new ATOM 0 HO2' C A 8 12.365 -10.421 -7.989 1.00 0.00 H new ATOM 0 HO5' C A 8 12.229 -5.872 -13.109 1.00 0.00 H new ATOM 0 H1' C A 8 13.775 -8.648 -8.297 1.00 0.00 H new ATOM 0 H41 C A 8 12.287 -2.343 -7.042 1.00 0.00 H new ATOM 0 H42 C A 8 12.418 -3.148 -5.475 1.00 0.00 H new ATOM 0 H5 C A 8 12.454 -3.546 -9.138 1.00 0.00 H new ATOM 0 H6 C A 8 12.771 -5.725 -10.173 1.00 0.00 H new ATOM 29 P C A 9 9.016 -9.577 -10.805 1.00 0.00 P ATOM 30 OP1 C A 9 8.415 -10.682 -11.596 1.00 0.00 O ATOM 31 OP2 C A 9 8.514 -8.191 -10.988 1.00 0.00 O ATOM 32 O5' C A 9 8.900 -9.946 -9.258 1.00 0.00 O ATOM 33 C5' C A 9 9.213 -11.257 -8.792 1.00 0.00 C ATOM 34 C4' C A 9 8.965 -11.359 -7.302 1.00 0.00 C ATOM 35 O4' C A 9 9.879 -10.464 -6.613 1.00 0.00 O ATOM 36 C3' C A 9 7.582 -10.926 -6.828 1.00 0.00 C ATOM 37 O3' C A 9 6.577 -11.947 -6.981 1.00 0.00 O ATOM 38 C2' C A 9 7.843 -10.513 -5.382 1.00 0.00 C ATOM 39 O2' C A 9 7.972 -11.613 -4.502 1.00 0.00 O ATOM 40 C1' C A 9 9.226 -9.875 -5.500 1.00 0.00 C ATOM 41 N1 C A 9 9.200 -8.411 -5.691 1.00 0.00 N ATOM 42 C2 C A 9 9.124 -7.577 -4.563 1.00 0.00 C ATOM 43 O2 C A 9 9.075 -8.088 -3.431 1.00 0.00 O ATOM 44 N3 C A 9 9.106 -6.236 -4.735 1.00 0.00 N ATOM 45 C4 C A 9 9.161 -5.719 -5.964 1.00 0.00 C ATOM 46 N4 C A 9 9.140 -4.389 -6.084 1.00 0.00 N ATOM 47 C5 C A 9 9.236 -6.539 -7.126 1.00 0.00 C ATOM 48 C6 C A 9 9.252 -7.867 -6.945 1.00 0.00 C ATOM 0 H5' C A 9 10.255 -11.489 -9.011 1.00 0.00 H new ATOM 0 H5'' C A 9 8.606 -11.992 -9.320 1.00 0.00 H new ATOM 0 H4' C A 9 9.090 -12.420 -7.084 1.00 0.00 H new ATOM 0 H3' C A 9 7.156 -10.117 -7.422 1.00 0.00 H new ATOM 0 H2' C A 9 7.035 -9.896 -4.988 1.00 0.00 H new ATOM 0 HO2' C A 9 7.123 -12.101 -4.462 1.00 0.00 H new ATOM 0 H1' C A 9 9.746 -10.053 -4.559 1.00 0.00 H new ATOM 0 H41 C A 9 9.181 -3.960 -7.008 1.00 0.00 H new ATOM 0 H42 C A 9 9.083 -3.803 -5.251 1.00 0.00 H new ATOM 0 H5 C A 9 9.278 -6.107 -8.115 1.00 0.00 H new ATOM 0 H6 C A 9 9.307 -8.519 -7.804 1.00 0.00 H new ATOM 60 P G A 10 6.750 -13.403 -6.296 1.00 0.00 P ATOM 61 OP1 G A 10 8.187 -13.730 -6.107 1.00 0.00 O ATOM 62 OP2 G A 10 5.888 -14.333 -7.070 1.00 0.00 O ATOM 63 O5' G A 10 6.092 -13.242 -4.852 1.00 0.00 O ATOM 64 C5' G A 10 4.804 -12.651 -4.690 1.00 0.00 C ATOM 65 C4' G A 10 4.757 -11.856 -3.405 1.00 0.00 C ATOM 66 O4' G A 10 5.474 -10.617 -3.600 1.00 0.00 O ATOM 67 C3' G A 10 3.366 -11.427 -2.962 1.00 0.00 C ATOM 68 O3' G A 10 2.768 -12.464 -2.182 1.00 0.00 O ATOM 69 C2' G A 10 3.615 -10.137 -2.171 1.00 0.00 C ATOM 70 O2' G A 10 3.845 -10.419 -0.804 1.00 0.00 O ATOM 71 C1' G A 10 4.922 -9.613 -2.774 1.00 0.00 C ATOM 72 N9 G A 10 4.758 -8.408 -3.584 1.00 0.00 N ATOM 73 C8 G A 10 4.816 -8.330 -4.956 1.00 0.00 C ATOM 74 N7 G A 10 4.641 -7.123 -5.413 1.00 0.00 N ATOM 75 C5 G A 10 4.456 -6.348 -4.275 1.00 0.00 C ATOM 76 C6 G A 10 4.223 -4.956 -4.144 1.00 0.00 C ATOM 77 O6 G A 10 4.134 -4.105 -5.035 1.00 0.00 O ATOM 78 N1 G A 10 4.092 -4.582 -2.811 1.00 0.00 N ATOM 79 C2 G A 10 4.175 -5.437 -1.740 1.00 0.00 C ATOM 80 N2 G A 10 4.021 -4.880 -0.529 1.00 0.00 N ATOM 81 N3 G A 10 4.392 -6.738 -1.847 1.00 0.00 N ATOM 82 C4 G A 10 4.523 -7.124 -3.136 1.00 0.00 C ATOM 0 H5' G A 10 4.038 -13.427 -4.675 1.00 0.00 H new ATOM 0 H5'' G A 10 4.584 -12.002 -5.537 1.00 0.00 H new ATOM 0 H4' G A 10 5.177 -12.522 -2.652 1.00 0.00 H new ATOM 0 H3' G A 10 2.668 -11.250 -3.780 1.00 0.00 H new ATOM 0 H2' G A 10 2.773 -9.448 -2.227 1.00 0.00 H new ATOM 0 HO2' G A 10 3.058 -10.161 -0.280 1.00 0.00 H new ATOM 0 H1' G A 10 5.569 -9.356 -1.935 1.00 0.00 H new ATOM 0 H8 G A 10 4.990 -9.186 -5.592 1.00 0.00 H new ATOM 0 H1 G A 10 3.921 -3.596 -2.614 1.00 0.00 H new ATOM 0 H21 G A 10 4.071 -5.459 0.309 1.00 0.00 H new ATOM 0 H22 G A 10 3.854 -3.877 -0.446 1.00 0.00 H new ATOM 94 P U A 11 1.348 -12.222 -1.458 1.00 0.00 P ATOM 95 OP1 U A 11 0.594 -13.500 -1.501 1.00 0.00 O ATOM 96 OP2 U A 11 0.729 -10.988 -2.008 1.00 0.00 O ATOM 97 O5' U A 11 1.748 -11.939 0.058 1.00 0.00 O ATOM 98 C5' U A 11 0.788 -11.458 0.991 1.00 0.00 C ATOM 99 C4' U A 11 1.346 -10.273 1.746 1.00 0.00 C ATOM 100 O4' U A 11 1.796 -9.274 0.782 1.00 0.00 O ATOM 101 C3' U A 11 0.349 -9.545 2.646 1.00 0.00 C ATOM 102 O3' U A 11 0.995 -9.036 3.812 1.00 0.00 O ATOM 103 C2' U A 11 -0.179 -8.442 1.735 1.00 0.00 C ATOM 104 O2' U A 11 -0.624 -7.325 2.473 1.00 0.00 O ATOM 105 C1' U A 11 1.096 -8.063 0.990 1.00 0.00 C ATOM 106 N1 U A 11 0.866 -7.412 -0.311 1.00 0.00 N ATOM 107 C2 U A 11 0.854 -6.023 -0.352 1.00 0.00 C ATOM 108 O2 U A 11 1.027 -5.322 0.633 1.00 0.00 O ATOM 109 N3 U A 11 0.631 -5.485 -1.596 1.00 0.00 N ATOM 110 C4 U A 11 0.427 -6.171 -2.775 1.00 0.00 C ATOM 111 O4 U A 11 0.245 -5.541 -3.818 1.00 0.00 O ATOM 112 C5 U A 11 0.455 -7.594 -2.647 1.00 0.00 C ATOM 113 C6 U A 11 0.668 -8.155 -1.452 1.00 0.00 C ATOM 0 H5' U A 11 0.519 -12.250 1.690 1.00 0.00 H new ATOM 0 H5'' U A 11 -0.125 -11.170 0.470 1.00 0.00 H new ATOM 0 H4' U A 11 2.133 -10.689 2.375 1.00 0.00 H new ATOM 0 H3' U A 11 -0.448 -10.179 3.034 1.00 0.00 H new ATOM 0 H2' U A 11 -1.024 -8.751 1.119 1.00 0.00 H new ATOM 0 HO2' U A 11 -1.416 -6.942 2.041 1.00 0.00 H new ATOM 0 H1' U A 11 1.644 -7.333 1.586 1.00 0.00 H new ATOM 0 H3 U A 11 0.614 -4.467 -1.654 1.00 0.00 H new ATOM 0 H5 U A 11 0.304 -8.217 -3.516 1.00 0.00 H new ATOM 0 H6 U A 11 0.685 -9.232 -1.380 1.00 0.00 H new ATOM 124 P U A 12 0.119 -8.543 5.073 1.00 0.00 P ATOM 125 OP1 U A 12 0.891 -8.844 6.305 1.00 0.00 O ATOM 126 OP2 U A 12 -1.263 -9.073 4.929 1.00 0.00 O ATOM 127 O5' U A 12 0.055 -6.958 4.909 1.00 0.00 O ATOM 128 C5' U A 12 1.231 -6.199 4.630 1.00 0.00 C ATOM 129 C4' U A 12 0.920 -4.715 4.643 1.00 0.00 C ATOM 130 O4' U A 12 0.236 -4.362 3.405 1.00 0.00 O ATOM 131 C3' U A 12 0.007 -4.239 5.772 1.00 0.00 C ATOM 132 O3' U A 12 0.438 -2.979 6.280 1.00 0.00 O ATOM 133 C2' U A 12 -1.364 -4.159 5.109 1.00 0.00 C ATOM 134 O2' U A 12 -2.165 -3.157 5.706 1.00 0.00 O ATOM 135 C1' U A 12 -0.984 -3.712 3.700 1.00 0.00 C ATOM 136 N1 U A 12 -1.965 -4.038 2.647 1.00 0.00 N ATOM 137 C2 U A 12 -3.191 -3.374 2.661 1.00 0.00 C ATOM 138 O2 U A 12 -3.491 -2.542 3.502 1.00 0.00 O ATOM 139 N3 U A 12 -4.051 -3.722 1.650 1.00 0.00 N ATOM 140 C4 U A 12 -3.829 -4.642 0.648 1.00 0.00 C ATOM 141 O4 U A 12 -4.706 -4.847 -0.192 1.00 0.00 O ATOM 142 C5 U A 12 -2.551 -5.279 0.699 1.00 0.00 C ATOM 143 C6 U A 12 -1.682 -4.969 1.668 1.00 0.00 C ATOM 0 H5' U A 12 1.633 -6.484 3.658 1.00 0.00 H new ATOM 0 H5'' U A 12 1.999 -6.422 5.370 1.00 0.00 H new ATOM 0 H4' U A 12 1.890 -4.236 4.777 1.00 0.00 H new ATOM 0 H3' U A 12 0.006 -4.901 6.638 1.00 0.00 H new ATOM 0 H2' U A 12 -1.933 -5.086 5.174 1.00 0.00 H new ATOM 0 HO2' U A 12 -2.621 -2.644 5.007 1.00 0.00 H new ATOM 0 H1' U A 12 -0.927 -2.623 3.699 1.00 0.00 H new ATOM 0 H3 U A 12 -4.954 -3.248 1.639 1.00 0.00 H new ATOM 0 H5 U A 12 -2.286 -6.013 -0.047 1.00 0.00 H new ATOM 0 H6 U A 12 -0.723 -5.466 1.685 1.00 0.00 H new ATOM 154 P G A 13 1.470 -2.927 7.513 1.00 0.00 P ATOM 155 OP1 G A 13 2.532 -3.941 7.288 1.00 0.00 O ATOM 156 OP2 G A 13 0.668 -2.970 8.762 1.00 0.00 O ATOM 157 O5' G A 13 2.133 -1.482 7.399 1.00 0.00 O ATOM 158 C5' G A 13 1.345 -0.302 7.522 1.00 0.00 C ATOM 159 C4' G A 13 1.466 0.535 6.271 1.00 0.00 C ATOM 160 O4' G A 13 0.611 -0.019 5.246 1.00 0.00 O ATOM 161 C3' G A 13 0.982 1.971 6.393 1.00 0.00 C ATOM 162 O3' G A 13 1.981 2.820 6.945 1.00 0.00 O ATOM 163 C2' G A 13 0.643 2.350 4.951 1.00 0.00 C ATOM 164 O2' G A 13 1.786 2.830 4.269 1.00 0.00 O ATOM 165 C1' G A 13 0.255 1.003 4.336 1.00 0.00 C ATOM 166 N9 G A 13 -1.171 0.876 4.041 1.00 0.00 N ATOM 167 C8 G A 13 -2.055 -0.008 4.610 1.00 0.00 C ATOM 168 N7 G A 13 -3.266 0.096 4.138 1.00 0.00 N ATOM 169 C5 G A 13 -3.182 1.114 3.198 1.00 0.00 C ATOM 170 C6 G A 13 -4.180 1.671 2.350 1.00 0.00 C ATOM 171 O6 G A 13 -5.374 1.361 2.256 1.00 0.00 O ATOM 172 N1 G A 13 -3.665 2.686 1.551 1.00 0.00 N ATOM 173 C2 G A 13 -2.360 3.113 1.562 1.00 0.00 C ATOM 174 N2 G A 13 -2.060 4.112 0.718 1.00 0.00 N ATOM 175 N3 G A 13 -1.419 2.600 2.340 1.00 0.00 N ATOM 176 C4 G A 13 -1.896 1.611 3.127 1.00 0.00 C ATOM 0 H5' G A 13 1.672 0.274 8.388 1.00 0.00 H new ATOM 0 H5'' G A 13 0.302 -0.568 7.692 1.00 0.00 H new ATOM 0 H4' G A 13 2.535 0.528 6.056 1.00 0.00 H new ATOM 0 H3' G A 13 0.133 2.077 7.068 1.00 0.00 H new ATOM 0 H2' G A 13 -0.120 3.126 4.893 1.00 0.00 H new ATOM 0 HO2' G A 13 2.434 3.173 4.919 1.00 0.00 H new ATOM 0 H1' G A 13 0.784 0.924 3.386 1.00 0.00 H new ATOM 0 H8 G A 13 -1.775 -0.719 5.373 1.00 0.00 H new ATOM 0 H1 G A 13 -4.306 3.149 0.907 1.00 0.00 H new ATOM 0 H21 G A 13 -1.108 4.476 0.677 1.00 0.00 H new ATOM 0 H22 G A 13 -2.784 4.507 0.118 1.00 0.00 H new ATOM 188 P A A 14 1.547 4.151 7.733 1.00 0.00 P ATOM 189 OP1 A A 14 2.776 4.929 8.042 1.00 0.00 O ATOM 190 OP2 A A 14 0.649 3.731 8.839 1.00 0.00 O ATOM 191 O5' A A 14 0.668 4.958 6.673 1.00 0.00 O ATOM 192 C5' A A 14 1.222 6.041 5.924 1.00 0.00 C ATOM 193 C4' A A 14 0.504 6.188 4.600 1.00 0.00 C ATOM 194 O4' A A 14 -0.412 5.080 4.410 1.00 0.00 O ATOM 195 C3' A A 14 -0.381 7.417 4.474 1.00 0.00 C ATOM 196 O3' A A 14 0.378 8.562 4.095 1.00 0.00 O ATOM 197 C2' A A 14 -1.385 7.011 3.396 1.00 0.00 C ATOM 198 O2' A A 14 -0.856 7.215 2.099 1.00 0.00 O ATOM 199 C1' A A 14 -1.516 5.503 3.631 1.00 0.00 C ATOM 200 N9 A A 14 -2.750 5.107 4.316 1.00 0.00 N ATOM 201 C8 A A 14 -2.874 4.424 5.504 1.00 0.00 C ATOM 202 N7 A A 14 -4.117 4.208 5.862 1.00 0.00 N ATOM 203 C5 A A 14 -4.862 4.785 4.844 1.00 0.00 C ATOM 204 C6 A A 14 -6.248 4.893 4.632 1.00 0.00 C ATOM 205 N6 A A 14 -7.166 4.403 5.470 1.00 0.00 N ATOM 206 N1 A A 14 -6.666 5.530 3.518 1.00 0.00 N ATOM 207 C2 A A 14 -5.747 6.022 2.678 1.00 0.00 C ATOM 208 N3 A A 14 -4.419 5.984 2.767 1.00 0.00 N ATOM 209 C4 A A 14 -4.036 5.344 3.885 1.00 0.00 C ATOM 0 H5' A A 14 2.284 5.867 5.752 1.00 0.00 H new ATOM 0 H5'' A A 14 1.139 6.966 6.495 1.00 0.00 H new ATOM 0 H4' A A 14 1.316 6.246 3.875 1.00 0.00 H new ATOM 0 H3' A A 14 -0.863 7.702 5.409 1.00 0.00 H new ATOM 0 H2' A A 14 -2.315 7.576 3.452 1.00 0.00 H new ATOM 0 HO2' A A 14 -0.091 7.825 2.150 1.00 0.00 H new ATOM 0 H1' A A 14 -1.543 5.031 2.649 1.00 0.00 H new ATOM 0 H8 A A 14 -2.026 4.096 6.088 1.00 0.00 H new ATOM 0 H61 A A 14 -8.158 4.513 5.261 1.00 0.00 H new ATOM 0 H62 A A 14 -6.875 3.919 6.319 1.00 0.00 H new ATOM 0 H2 A A 14 -6.138 6.521 1.804 1.00 0.00 H new ATOM 221 P A A 15 0.611 9.756 5.149 1.00 0.00 P ATOM 222 OP1 A A 15 1.822 10.503 4.725 1.00 0.00 O ATOM 223 OP2 A A 15 0.543 9.192 6.523 1.00 0.00 O ATOM 224 O5' A A 15 -0.649 10.709 4.938 1.00 0.00 O ATOM 225 C5' A A 15 -1.960 10.284 5.302 1.00 0.00 C ATOM 226 C4' A A 15 -2.788 10.035 4.062 1.00 0.00 C ATOM 227 O4' A A 15 -3.611 8.857 4.293 1.00 0.00 O ATOM 228 C3' A A 15 -3.750 11.161 3.689 1.00 0.00 C ATOM 229 O3' A A 15 -3.785 11.442 2.274 1.00 0.00 O ATOM 230 C2' A A 15 -5.087 10.703 4.271 1.00 0.00 C ATOM 231 O2' A A 15 -6.157 11.125 3.461 1.00 0.00 O ATOM 232 C1' A A 15 -4.978 9.186 4.161 1.00 0.00 C ATOM 233 N9 A A 15 -5.733 8.463 5.186 1.00 0.00 N ATOM 234 C8 A A 15 -5.235 7.588 6.119 1.00 0.00 C ATOM 235 N7 A A 15 -6.147 7.089 6.917 1.00 0.00 N ATOM 236 C5 A A 15 -7.328 7.672 6.480 1.00 0.00 C ATOM 237 C6 A A 15 -8.659 7.552 6.916 1.00 0.00 C ATOM 238 N6 A A 15 -9.038 6.772 7.929 1.00 0.00 N ATOM 239 N1 A A 15 -9.599 8.272 6.266 1.00 0.00 N ATOM 240 C2 A A 15 -9.218 9.054 5.248 1.00 0.00 C ATOM 241 N3 A A 15 -8.001 9.248 4.746 1.00 0.00 N ATOM 242 C4 A A 15 -7.089 8.520 5.415 1.00 0.00 C ATOM 0 H5' A A 15 -2.438 11.043 5.922 1.00 0.00 H new ATOM 0 H5'' A A 15 -1.903 9.374 5.900 1.00 0.00 H new ATOM 0 H4' A A 15 -2.070 9.932 3.248 1.00 0.00 H new ATOM 0 H3' A A 15 -3.442 12.124 4.096 1.00 0.00 H new ATOM 0 H2' A A 15 -5.268 11.088 5.274 1.00 0.00 H new ATOM 0 HO2' A A 15 -6.803 11.622 4.005 1.00 0.00 H new ATOM 0 H1' A A 15 -5.400 8.889 3.201 1.00 0.00 H new ATOM 0 H8 A A 15 -4.188 7.334 6.189 1.00 0.00 H new ATOM 0 H61 A A 15 -10.021 6.728 8.198 1.00 0.00 H new ATOM 0 H62 A A 15 -8.345 6.220 8.434 1.00 0.00 H new ATOM 0 H2 A A 15 -10.011 9.606 4.766 1.00 0.00 H new ATOM 254 P U A 16 -4.138 10.289 1.191 1.00 0.00 P ATOM 255 OP1 U A 16 -3.657 8.967 1.665 1.00 0.00 O ATOM 256 OP2 U A 16 -3.674 10.795 -0.127 1.00 0.00 O ATOM 257 O5' U A 16 -5.733 10.251 1.156 1.00 0.00 O ATOM 258 C5' U A 16 -6.481 11.303 0.544 1.00 0.00 C ATOM 259 C4' U A 16 -7.960 10.982 0.571 1.00 0.00 C ATOM 260 O4' U A 16 -8.386 10.827 1.957 1.00 0.00 O ATOM 261 C3' U A 16 -8.860 12.065 -0.022 1.00 0.00 C ATOM 262 O3' U A 16 -9.932 11.500 -0.768 1.00 0.00 O ATOM 263 C2' U A 16 -9.351 12.833 1.203 1.00 0.00 C ATOM 264 O2' U A 16 -10.641 13.373 0.992 1.00 0.00 O ATOM 265 C1' U A 16 -9.458 11.710 2.229 1.00 0.00 C ATOM 266 N1 U A 16 -9.360 12.153 3.630 1.00 0.00 N ATOM 267 C2 U A 16 -10.530 12.505 4.295 1.00 0.00 C ATOM 268 O2 U A 16 -11.634 12.465 3.773 1.00 0.00 O ATOM 269 N3 U A 16 -10.355 12.907 5.597 1.00 0.00 N ATOM 270 C4 U A 16 -9.163 12.991 6.288 1.00 0.00 C ATOM 271 O4 U A 16 -9.167 13.371 7.459 1.00 0.00 O ATOM 272 C5 U A 16 -8.011 12.610 5.532 1.00 0.00 C ATOM 273 C6 U A 16 -8.143 12.217 4.265 1.00 0.00 C ATOM 0 H5' U A 16 -6.151 11.441 -0.486 1.00 0.00 H new ATOM 0 H5'' U A 16 -6.296 12.241 1.067 1.00 0.00 H new ATOM 0 H4' U A 16 -8.066 10.080 -0.032 1.00 0.00 H new ATOM 0 H3' U A 16 -8.342 12.708 -0.733 1.00 0.00 H new ATOM 0 H2' U A 16 -8.707 13.669 1.475 1.00 0.00 H new ATOM 0 HO2' U A 16 -11.088 12.881 0.272 1.00 0.00 H new ATOM 0 H1' U A 16 -10.444 11.254 2.134 1.00 0.00 H new ATOM 0 H3 U A 16 -11.197 13.172 6.108 1.00 0.00 H new ATOM 0 H5 U A 16 -7.032 12.641 5.988 1.00 0.00 H new ATOM 0 H6 U A 16 -7.257 11.937 3.715 1.00 0.00 H new ATOM 284 P C A 17 -10.182 11.966 -2.289 1.00 0.00 P ATOM 285 OP1 C A 17 -9.822 13.403 -2.415 1.00 0.00 O ATOM 286 OP2 C A 17 -11.551 11.522 -2.657 1.00 0.00 O ATOM 287 O5' C A 17 -9.140 11.119 -3.151 1.00 0.00 O ATOM 288 C5' C A 17 -8.524 9.942 -2.628 1.00 0.00 C ATOM 289 C4' C A 17 -9.192 8.698 -3.186 1.00 0.00 C ATOM 290 O4' C A 17 -9.079 7.631 -2.201 1.00 0.00 O ATOM 291 C3' C A 17 -10.689 8.802 -3.480 1.00 0.00 C ATOM 292 O3' C A 17 -11.094 7.936 -4.543 1.00 0.00 O ATOM 293 C2' C A 17 -11.320 8.393 -2.153 1.00 0.00 C ATOM 294 O2' C A 17 -12.603 7.828 -2.342 1.00 0.00 O ATOM 295 C1' C A 17 -10.364 7.293 -1.705 1.00 0.00 C ATOM 296 N1 C A 17 -10.270 7.136 -0.241 1.00 0.00 N ATOM 297 C2 C A 17 -11.000 6.112 0.383 1.00 0.00 C ATOM 298 O2 C A 17 -11.718 5.369 -0.307 1.00 0.00 O ATOM 299 N3 C A 17 -10.907 5.961 1.724 1.00 0.00 N ATOM 300 C4 C A 17 -10.128 6.777 2.438 1.00 0.00 C ATOM 301 N4 C A 17 -10.065 6.584 3.756 1.00 0.00 N ATOM 302 C5 C A 17 -9.378 7.828 1.831 1.00 0.00 C ATOM 303 C6 C A 17 -9.481 7.971 0.502 1.00 0.00 C ATOM 0 H5' C A 17 -8.593 9.942 -1.540 1.00 0.00 H new ATOM 0 H5'' C A 17 -7.464 9.937 -2.881 1.00 0.00 H new ATOM 0 H4' C A 17 -8.679 8.526 -4.132 1.00 0.00 H new ATOM 0 H3' C A 17 -10.986 9.795 -3.816 1.00 0.00 H new ATOM 0 H2' C A 17 -11.450 9.225 -1.461 1.00 0.00 H new ATOM 0 HO2' C A 17 -12.706 7.555 -3.278 1.00 0.00 H new ATOM 0 H1' C A 17 -10.744 6.347 -2.091 1.00 0.00 H new ATOM 0 H41 C A 17 -9.480 7.189 4.333 1.00 0.00 H new ATOM 0 H42 C A 17 -10.602 5.832 4.187 1.00 0.00 H new ATOM 0 H5 C A 17 -8.752 8.483 2.419 1.00 0.00 H new ATOM 0 H6 C A 17 -8.931 8.759 0.009 1.00 0.00 H new ATOM 315 P U A 18 -10.462 8.108 -6.018 1.00 0.00 P ATOM 316 OP1 U A 18 -10.004 9.514 -6.171 1.00 0.00 O ATOM 317 OP2 U A 18 -11.429 7.544 -6.993 1.00 0.00 O ATOM 318 O5' U A 18 -9.171 7.169 -6.009 1.00 0.00 O ATOM 319 C5' U A 18 -9.109 6.011 -5.177 1.00 0.00 C ATOM 320 C4' U A 18 -8.248 4.942 -5.823 1.00 0.00 C ATOM 321 O4' U A 18 -7.746 4.049 -4.793 1.00 0.00 O ATOM 322 C3' U A 18 -8.957 4.012 -6.800 1.00 0.00 C ATOM 323 O3' U A 18 -8.052 3.433 -7.741 1.00 0.00 O ATOM 324 C2' U A 18 -9.565 2.955 -5.881 1.00 0.00 C ATOM 325 O2' U A 18 -9.671 1.704 -6.534 1.00 0.00 O ATOM 326 C1' U A 18 -8.494 2.844 -4.792 1.00 0.00 C ATOM 327 N1 U A 18 -9.039 2.642 -3.438 1.00 0.00 N ATOM 328 C2 U A 18 -9.353 1.347 -3.039 1.00 0.00 C ATOM 329 O2 U A 18 -9.194 0.369 -3.755 1.00 0.00 O ATOM 330 N3 U A 18 -9.861 1.241 -1.768 1.00 0.00 N ATOM 331 C4 U A 18 -10.083 2.268 -0.874 1.00 0.00 C ATOM 332 O4 U A 18 -10.554 2.013 0.236 1.00 0.00 O ATOM 333 C5 U A 18 -9.733 3.566 -1.358 1.00 0.00 C ATOM 334 C6 U A 18 -9.233 3.709 -2.590 1.00 0.00 C ATOM 0 H5' U A 18 -10.113 5.624 -5.006 1.00 0.00 H new ATOM 0 H5'' U A 18 -8.700 6.277 -4.202 1.00 0.00 H new ATOM 0 H4' U A 18 -7.494 5.513 -6.365 1.00 0.00 H new ATOM 0 H3' U A 18 -9.695 4.526 -7.416 1.00 0.00 H new ATOM 0 H2' U A 18 -10.566 3.214 -5.536 1.00 0.00 H new ATOM 0 HO2' U A 18 -9.028 1.665 -7.273 1.00 0.00 H new ATOM 0 H1' U A 18 -7.889 1.967 -5.023 1.00 0.00 H new ATOM 0 H3 U A 18 -10.100 0.302 -1.450 1.00 0.00 H new ATOM 0 H5 U A 18 -9.872 4.432 -0.728 1.00 0.00 H new ATOM 0 H6 U A 18 -8.971 4.699 -2.933 1.00 0.00 H new ATOM 345 P C A 19 -7.298 4.365 -8.816 1.00 0.00 P ATOM 346 OP1 C A 19 -8.225 5.458 -9.215 1.00 0.00 O ATOM 347 OP2 C A 19 -6.716 3.484 -9.859 1.00 0.00 O ATOM 348 O5' C A 19 -6.099 5.011 -7.989 1.00 0.00 O ATOM 349 C5' C A 19 -5.129 4.190 -7.342 1.00 0.00 C ATOM 350 C4' C A 19 -4.335 5.007 -6.349 1.00 0.00 C ATOM 351 O4' C A 19 -5.140 5.213 -5.157 1.00 0.00 O ATOM 352 C3' C A 19 -3.057 4.356 -5.836 1.00 0.00 C ATOM 353 O3' C A 19 -1.954 4.589 -6.708 1.00 0.00 O ATOM 354 C2' C A 19 -2.869 5.020 -4.477 1.00 0.00 C ATOM 355 O2' C A 19 -2.314 6.316 -4.605 1.00 0.00 O ATOM 356 C1' C A 19 -4.316 5.153 -4.004 1.00 0.00 C ATOM 357 N1 C A 19 -4.765 4.030 -3.159 1.00 0.00 N ATOM 358 C2 C A 19 -4.606 4.119 -1.763 1.00 0.00 C ATOM 359 O2 C A 19 -4.085 5.136 -1.272 1.00 0.00 O ATOM 360 N3 C A 19 -5.021 3.093 -0.986 1.00 0.00 N ATOM 361 C4 C A 19 -5.571 2.012 -1.543 1.00 0.00 C ATOM 362 N4 C A 19 -5.961 1.026 -0.730 1.00 0.00 N ATOM 363 C5 C A 19 -5.743 1.893 -2.955 1.00 0.00 C ATOM 364 C6 C A 19 -5.329 2.915 -3.717 1.00 0.00 C ATOM 0 H5' C A 19 -4.459 3.753 -8.083 1.00 0.00 H new ATOM 0 H5'' C A 19 -5.623 3.363 -6.832 1.00 0.00 H new ATOM 0 H4' C A 19 -4.072 5.912 -6.897 1.00 0.00 H new ATOM 0 H3' C A 19 -3.119 3.269 -5.776 1.00 0.00 H new ATOM 0 H2' C A 19 -2.203 4.464 -3.817 1.00 0.00 H new ATOM 0 HO2' C A 19 -1.919 6.416 -5.496 1.00 0.00 H new ATOM 0 H1' C A 19 -4.385 6.052 -3.391 1.00 0.00 H new ATOM 0 H41 C A 19 -6.386 0.183 -1.117 1.00 0.00 H new ATOM 0 H42 C A 19 -5.834 1.116 0.278 1.00 0.00 H new ATOM 0 H5 C A 19 -6.190 1.013 -3.393 1.00 0.00 H new ATOM 0 H6 C A 19 -5.442 2.858 -4.789 1.00 0.00 H new ATOM 376 P A A 20 -0.596 3.743 -6.525 1.00 0.00 P ATOM 377 OP1 A A 20 0.268 4.016 -7.701 1.00 0.00 O ATOM 378 OP2 A A 20 -0.975 2.341 -6.206 1.00 0.00 O ATOM 379 O5' A A 20 0.096 4.400 -5.246 1.00 0.00 O ATOM 380 C5' A A 20 0.644 3.596 -4.202 1.00 0.00 C ATOM 381 C4' A A 20 -0.112 3.836 -2.914 1.00 0.00 C ATOM 382 O4' A A 20 -1.308 3.009 -2.925 1.00 0.00 O ATOM 383 C3' A A 20 0.629 3.483 -1.628 1.00 0.00 C ATOM 384 O3' A A 20 0.348 4.418 -0.592 1.00 0.00 O ATOM 385 C2' A A 20 0.147 2.076 -1.300 1.00 0.00 C ATOM 386 O2' A A 20 0.076 1.874 0.098 1.00 0.00 O ATOM 387 C1' A A 20 -1.272 2.088 -1.853 1.00 0.00 C ATOM 388 N9 A A 20 -1.680 0.780 -2.367 1.00 0.00 N ATOM 389 C8 A A 20 -2.536 0.526 -3.405 1.00 0.00 C ATOM 390 N7 A A 20 -2.715 -0.752 -3.643 1.00 0.00 N ATOM 391 C5 A A 20 -1.910 -1.383 -2.703 1.00 0.00 C ATOM 392 C6 A A 20 -1.646 -2.737 -2.432 1.00 0.00 C ATOM 393 N6 A A 20 -2.195 -3.750 -3.104 1.00 0.00 N ATOM 394 N1 A A 20 -0.782 -3.016 -1.430 1.00 0.00 N ATOM 395 C2 A A 20 -0.231 -1.998 -0.755 1.00 0.00 C ATOM 396 N3 A A 20 -0.412 -0.699 -0.908 1.00 0.00 N ATOM 397 C4 A A 20 -1.270 -0.451 -1.911 1.00 0.00 C ATOM 0 H5' A A 20 1.699 3.834 -4.064 1.00 0.00 H new ATOM 0 H5'' A A 20 0.588 2.542 -4.475 1.00 0.00 H new ATOM 0 H4' A A 20 -0.295 4.910 -2.896 1.00 0.00 H new ATOM 0 H3' A A 20 1.713 3.522 -1.737 1.00 0.00 H new ATOM 0 H2' A A 20 0.800 1.302 -1.702 1.00 0.00 H new ATOM 0 HO2' A A 20 -0.813 2.130 0.421 1.00 0.00 H new ATOM 0 H1' A A 20 -1.951 2.359 -1.045 1.00 0.00 H new ATOM 0 H8 A A 20 -3.019 1.306 -3.975 1.00 0.00 H new ATOM 0 H61 A A 20 -1.961 -4.712 -2.857 1.00 0.00 H new ATOM 0 H62 A A 20 -2.849 -3.563 -3.864 1.00 0.00 H new ATOM 0 H2 A A 20 0.460 -2.280 0.026 1.00 0.00 H new ATOM 409 P C A 21 1.556 5.205 0.123 1.00 0.00 P ATOM 410 OP1 C A 21 1.580 4.765 1.542 1.00 0.00 O ATOM 411 OP2 C A 21 1.416 6.649 -0.194 1.00 0.00 O ATOM 412 O5' C A 21 2.864 4.660 -0.614 1.00 0.00 O ATOM 413 C5' C A 21 4.035 4.297 0.116 1.00 0.00 C ATOM 414 C4' C A 21 3.859 2.937 0.755 1.00 0.00 C ATOM 415 O4' C A 21 2.888 2.160 0.009 1.00 0.00 O ATOM 416 C3' C A 21 5.100 2.061 0.764 1.00 0.00 C ATOM 417 O3' C A 21 5.944 2.393 1.861 1.00 0.00 O ATOM 418 C2' C A 21 4.525 0.649 0.873 1.00 0.00 C ATOM 419 O2' C A 21 4.240 0.316 2.218 1.00 0.00 O ATOM 420 C1' C A 21 3.197 0.780 0.118 1.00 0.00 C ATOM 421 N1 C A 21 3.185 0.180 -1.238 1.00 0.00 N ATOM 422 C2 C A 21 3.342 -1.216 -1.374 1.00 0.00 C ATOM 423 O2 C A 21 3.506 -1.913 -0.358 1.00 0.00 O ATOM 424 N3 C A 21 3.310 -1.763 -2.610 1.00 0.00 N ATOM 425 C4 C A 21 3.131 -0.988 -3.682 1.00 0.00 C ATOM 426 N4 C A 21 3.100 -1.573 -4.881 1.00 0.00 N ATOM 427 C5 C A 21 2.972 0.424 -3.574 1.00 0.00 C ATOM 428 C6 C A 21 3.011 0.962 -2.350 1.00 0.00 C ATOM 0 H5' C A 21 4.238 5.043 0.884 1.00 0.00 H new ATOM 0 H5'' C A 21 4.897 4.284 -0.551 1.00 0.00 H new ATOM 0 H4' C A 21 3.569 3.172 1.779 1.00 0.00 H new ATOM 0 H3' C A 21 5.732 2.181 -0.116 1.00 0.00 H new ATOM 0 H2' C A 21 5.205 -0.113 0.492 1.00 0.00 H new ATOM 0 HO2' C A 21 4.690 -0.523 2.450 1.00 0.00 H new ATOM 0 H1' C A 21 2.458 0.223 0.694 1.00 0.00 H new ATOM 0 H41 C A 21 2.965 -1.009 -5.720 1.00 0.00 H new ATOM 0 H42 C A 21 3.211 -2.584 -4.958 1.00 0.00 H new ATOM 0 H5 C A 21 2.825 1.038 -4.450 1.00 0.00 H new ATOM 0 H6 C A 21 2.904 2.031 -2.236 1.00 0.00 H new ATOM 440 P G A 22 7.509 2.022 1.814 1.00 0.00 P ATOM 441 OP1 G A 22 8.203 2.845 2.837 1.00 0.00 O ATOM 442 OP2 G A 22 7.962 2.077 0.399 1.00 0.00 O ATOM 443 O5' G A 22 7.557 0.501 2.289 1.00 0.00 O ATOM 444 C5' G A 22 7.004 0.107 3.543 1.00 0.00 C ATOM 445 C4' G A 22 6.814 -1.392 3.577 1.00 0.00 C ATOM 446 O4' G A 22 5.940 -1.769 2.481 1.00 0.00 O ATOM 447 C3' G A 22 8.077 -2.215 3.366 1.00 0.00 C ATOM 448 O3' G A 22 8.765 -2.439 4.592 1.00 0.00 O ATOM 449 C2' G A 22 7.544 -3.505 2.757 1.00 0.00 C ATOM 450 O2' G A 22 7.020 -4.367 3.751 1.00 0.00 O ATOM 451 C1' G A 22 6.386 -2.984 1.906 1.00 0.00 C ATOM 452 N9 G A 22 6.752 -2.724 0.515 1.00 0.00 N ATOM 453 C8 G A 22 6.877 -1.495 -0.089 1.00 0.00 C ATOM 454 N7 G A 22 7.218 -1.571 -1.346 1.00 0.00 N ATOM 455 C5 G A 22 7.327 -2.934 -1.590 1.00 0.00 C ATOM 456 C6 G A 22 7.670 -3.628 -2.778 1.00 0.00 C ATOM 457 O6 G A 22 7.955 -3.162 -3.889 1.00 0.00 O ATOM 458 N1 G A 22 7.664 -5.005 -2.586 1.00 0.00 N ATOM 459 C2 G A 22 7.362 -5.635 -1.404 1.00 0.00 C ATOM 460 N2 G A 22 7.408 -6.975 -1.421 1.00 0.00 N ATOM 461 N3 G A 22 7.040 -5.001 -0.289 1.00 0.00 N ATOM 462 C4 G A 22 7.042 -3.661 -0.452 1.00 0.00 C ATOM 0 H5' G A 22 6.048 0.607 3.701 1.00 0.00 H new ATOM 0 H5'' G A 22 7.663 0.417 4.354 1.00 0.00 H new ATOM 0 H4' G A 22 6.429 -1.601 4.575 1.00 0.00 H new ATOM 0 H3' G A 22 8.814 -1.724 2.731 1.00 0.00 H new ATOM 0 H2' G A 22 8.306 -4.073 2.223 1.00 0.00 H new ATOM 0 HO2' G A 22 6.684 -5.186 3.330 1.00 0.00 H new ATOM 0 H1' G A 22 5.616 -3.756 1.894 1.00 0.00 H new ATOM 0 H8 G A 22 6.710 -0.560 0.426 1.00 0.00 H new ATOM 0 H1 G A 22 7.902 -5.593 -3.385 1.00 0.00 H new ATOM 0 H21 G A 22 7.194 -7.503 -0.575 1.00 0.00 H new ATOM 0 H22 G A 22 7.657 -7.466 -2.280 1.00 0.00 H new ATOM 474 P G A 23 10.347 -2.727 4.576 1.00 0.00 P ATOM 475 OP1 G A 23 10.799 -2.918 5.979 1.00 0.00 O ATOM 476 OP2 G A 23 10.986 -1.681 3.737 1.00 0.00 O ATOM 477 O5' G A 23 10.475 -4.119 3.812 1.00 0.00 O ATOM 478 C5' G A 23 10.014 -5.329 4.409 1.00 0.00 C ATOM 479 C4' G A 23 10.296 -6.503 3.499 1.00 0.00 C ATOM 480 O4' G A 23 9.597 -6.306 2.243 1.00 0.00 O ATOM 481 C3' G A 23 11.751 -6.687 3.091 1.00 0.00 C ATOM 482 O3' G A 23 12.501 -7.405 4.075 1.00 0.00 O ATOM 483 C2' G A 23 11.637 -7.450 1.775 1.00 0.00 C ATOM 484 O2' G A 23 11.433 -8.833 1.995 1.00 0.00 O ATOM 485 C1' G A 23 10.356 -6.860 1.183 1.00 0.00 C ATOM 486 N9 G A 23 10.598 -5.815 0.190 1.00 0.00 N ATOM 487 C8 G A 23 10.394 -4.464 0.340 1.00 0.00 C ATOM 488 N7 G A 23 10.700 -3.775 -0.726 1.00 0.00 N ATOM 489 C5 G A 23 11.135 -4.728 -1.638 1.00 0.00 C ATOM 490 C6 G A 23 11.597 -4.581 -2.972 1.00 0.00 C ATOM 491 O6 G A 23 11.722 -3.544 -3.636 1.00 0.00 O ATOM 492 N1 G A 23 11.934 -5.807 -3.535 1.00 0.00 N ATOM 493 C2 G A 23 11.841 -7.021 -2.897 1.00 0.00 C ATOM 494 N2 G A 23 12.216 -8.093 -3.611 1.00 0.00 N ATOM 495 N3 G A 23 11.413 -7.173 -1.656 1.00 0.00 N ATOM 496 C4 G A 23 11.078 -5.993 -1.089 1.00 0.00 C ATOM 0 H5' G A 23 8.944 -5.261 4.605 1.00 0.00 H new ATOM 0 H5'' G A 23 10.506 -5.479 5.370 1.00 0.00 H new ATOM 0 H4' G A 23 9.981 -7.369 4.081 1.00 0.00 H new ATOM 0 H3' G A 23 12.292 -5.746 2.991 1.00 0.00 H new ATOM 0 H2' G A 23 12.529 -7.360 1.155 1.00 0.00 H new ATOM 0 HO2' G A 23 11.663 -9.054 2.922 1.00 0.00 H new ATOM 0 HO3' G A 23 13.428 -7.502 3.773 1.00 0.00 H new ATOM 0 H1' G A 23 9.832 -7.668 0.672 1.00 0.00 H new ATOM 0 H8 G A 23 10.018 -4.017 1.249 1.00 0.00 H new ATOM 0 H1 G A 23 12.277 -5.805 -4.496 1.00 0.00 H new ATOM 0 H21 G A 23 12.171 -9.024 -3.196 1.00 0.00 H new ATOM 0 H22 G A 23 12.546 -7.977 -4.569 1.00 0.00 H new TER 508 G A 23