USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 -4:sc= -0.62 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -78:sc= 0.237 USER MOD Single : A 3 A O2' : rot -14:sc= -0.666 USER MOD Single : A 4 G O2' : rot -17:sc= -0.512 USER MOD Single : A 5 U O2' : rot 0:sc= 0.107 USER MOD Single : A 6 U O2' : rot -76:sc= 0.481 USER MOD Single : A 7 C O2' : rot -15:sc= -0.286 USER MOD Single : A 8 C O2' : rot -16:sc= 0.196 USER MOD Single : A 8 C O3' : rot 180:sc= 0.23 USER MOD Single : B 9 G O2' : rot 180:sc= -0.509 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00746 USER MOD Single : B 10 G O2' : rot 180:sc= -0.522 USER MOD Single : B 11 A O2' : rot 180:sc= -0.993 USER MOD Single : B 12 G O2' : rot -28:sc= -0.133 USER MOD Single : B 13 U O2' : rot -8:sc= 0.122 USER MOD Single : B 14 U O2' : rot -17:sc= -0.011 USER MOD Single : B 15 C O2' : rot -8:sc= -0.417 USER MOD Single : B 16 C O2' : rot -26:sc= 0.169 USER MOD Single : B 16 C O3' : rot 180:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.881 -8.247 3.487 1.00 0.00 O ATOM 2 C5' G A 1 6.221 -8.508 3.133 1.00 0.00 C ATOM 3 C4' G A 1 6.925 -7.201 2.759 1.00 0.00 C ATOM 4 O4' G A 1 6.294 -6.570 1.648 1.00 0.00 O ATOM 5 C3' G A 1 6.875 -6.169 3.867 1.00 0.00 C ATOM 6 O3' G A 1 7.792 -6.433 4.909 1.00 0.00 O ATOM 7 C2' G A 1 7.254 -4.939 3.086 1.00 0.00 C ATOM 8 O2' G A 1 8.640 -4.947 2.827 1.00 0.00 O ATOM 9 C1' G A 1 6.523 -5.156 1.769 1.00 0.00 C ATOM 10 N9 G A 1 5.243 -4.423 1.774 1.00 0.00 N ATOM 11 C8 G A 1 3.973 -4.888 1.997 1.00 0.00 C ATOM 12 N7 G A 1 3.051 -3.970 1.911 1.00 0.00 N ATOM 13 C5 G A 1 3.761 -2.811 1.610 1.00 0.00 C ATOM 14 C6 G A 1 3.297 -1.480 1.393 1.00 0.00 C ATOM 15 O6 G A 1 2.143 -1.060 1.423 1.00 0.00 O ATOM 16 N1 G A 1 4.348 -0.611 1.116 1.00 0.00 N ATOM 17 C2 G A 1 5.677 -0.971 1.057 1.00 0.00 C ATOM 18 N2 G A 1 6.553 0.002 0.791 1.00 0.00 N ATOM 19 N3 G A 1 6.114 -2.217 1.256 1.00 0.00 N ATOM 20 C4 G A 1 5.104 -3.081 1.527 1.00 0.00 C ATOM 0 H5' G A 1 6.256 -9.203 2.294 1.00 0.00 H new ATOM 0 H5'' G A 1 6.740 -8.986 3.964 1.00 0.00 H new ATOM 0 H4' G A 1 7.952 -7.498 2.544 1.00 0.00 H new ATOM 0 H3' G A 1 5.921 -6.117 4.391 1.00 0.00 H new ATOM 0 H2' G A 1 7.012 -4.008 3.598 1.00 0.00 H new ATOM 0 HO2' G A 1 9.052 -5.717 3.272 1.00 0.00 H new ATOM 0 HO5' G A 1 4.436 -9.087 3.724 1.00 0.00 H new ATOM 0 H1' G A 1 7.109 -4.787 0.928 1.00 0.00 H new ATOM 0 H8 G A 1 3.756 -5.921 2.223 1.00 0.00 H new ATOM 0 H1 G A 1 4.117 0.367 0.943 1.00 0.00 H new ATOM 0 H21 G A 1 7.549 -0.210 0.736 1.00 0.00 H new ATOM 0 H22 G A 1 6.225 0.957 0.643 1.00 0.00 H new ATOM 33 P G A 2 7.755 -5.570 6.274 1.00 0.00 P ATOM 34 OP1 G A 2 8.786 -6.112 7.187 1.00 0.00 O ATOM 35 OP2 G A 2 6.347 -5.492 6.722 1.00 0.00 O ATOM 36 O5' G A 2 8.217 -4.089 5.818 1.00 0.00 O ATOM 37 C5' G A 2 9.572 -3.806 5.530 1.00 0.00 C ATOM 38 C4' G A 2 9.750 -2.306 5.263 1.00 0.00 C ATOM 39 O4' G A 2 9.011 -1.848 4.134 1.00 0.00 O ATOM 40 C3' G A 2 9.287 -1.465 6.430 1.00 0.00 C ATOM 41 O3' G A 2 10.249 -1.435 7.465 1.00 0.00 O ATOM 42 C2' G A 2 9.119 -0.124 5.778 1.00 0.00 C ATOM 43 O2' G A 2 10.383 0.486 5.603 1.00 0.00 O ATOM 44 C1' G A 2 8.564 -0.506 4.414 1.00 0.00 C ATOM 45 N9 G A 2 7.095 -0.492 4.396 1.00 0.00 N ATOM 46 C8 G A 2 6.241 -1.551 4.504 1.00 0.00 C ATOM 47 N7 G A 2 4.983 -1.238 4.351 1.00 0.00 N ATOM 48 C5 G A 2 5.008 0.134 4.107 1.00 0.00 C ATOM 49 C6 G A 2 3.939 1.040 3.825 1.00 0.00 C ATOM 50 O6 G A 2 2.734 0.804 3.763 1.00 0.00 O ATOM 51 N1 G A 2 4.407 2.329 3.596 1.00 0.00 N ATOM 52 C2 G A 2 5.732 2.708 3.632 1.00 0.00 C ATOM 53 N2 G A 2 5.996 3.996 3.389 1.00 0.00 N ATOM 54 N3 G A 2 6.736 1.863 3.894 1.00 0.00 N ATOM 55 C4 G A 2 6.302 0.597 4.121 1.00 0.00 C ATOM 0 H5' G A 2 9.895 -4.379 4.661 1.00 0.00 H new ATOM 0 H5'' G A 2 10.201 -4.112 6.366 1.00 0.00 H new ATOM 0 H4' G A 2 10.820 -2.192 5.088 1.00 0.00 H new ATOM 0 H3' G A 2 8.385 -1.834 6.919 1.00 0.00 H new ATOM 0 H2' G A 2 8.497 0.568 6.346 1.00 0.00 H new ATOM 0 HO2' G A 2 10.688 0.858 6.457 1.00 0.00 H new ATOM 0 H1' G A 2 8.913 0.213 3.673 1.00 0.00 H new ATOM 0 H8 G A 2 6.576 -2.559 4.699 1.00 0.00 H new ATOM 0 H1 G A 2 3.717 3.050 3.385 1.00 0.00 H new ATOM 0 H21 G A 2 6.959 4.331 3.403 1.00 0.00 H new ATOM 0 H22 G A 2 5.234 4.644 3.190 1.00 0.00 H new ATOM 67 P A A 3 9.933 -0.697 8.854 1.00 0.00 P ATOM 68 OP1 A A 3 11.105 -0.855 9.744 1.00 0.00 O ATOM 69 OP2 A A 3 8.595 -1.133 9.310 1.00 0.00 O ATOM 70 O5' A A 3 9.839 0.849 8.415 1.00 0.00 O ATOM 71 C5' A A 3 8.985 1.727 9.103 1.00 0.00 C ATOM 72 C4' A A 3 9.028 3.125 8.481 1.00 0.00 C ATOM 73 O4' A A 3 8.594 3.128 7.117 1.00 0.00 O ATOM 74 C3' A A 3 8.084 4.022 9.252 1.00 0.00 C ATOM 75 O3' A A 3 8.758 4.684 10.305 1.00 0.00 O ATOM 76 C2' A A 3 7.601 4.990 8.204 1.00 0.00 C ATOM 77 O2' A A 3 8.577 5.987 7.990 1.00 0.00 O ATOM 78 C1' A A 3 7.553 4.100 6.962 1.00 0.00 C ATOM 79 N9 A A 3 6.273 3.386 6.871 1.00 0.00 N ATOM 80 C8 A A 3 6.045 2.044 6.998 1.00 0.00 C ATOM 81 N7 A A 3 4.799 1.699 6.836 1.00 0.00 N ATOM 82 C5 A A 3 4.159 2.902 6.553 1.00 0.00 C ATOM 83 C6 A A 3 2.825 3.221 6.246 1.00 0.00 C ATOM 84 N6 A A 3 1.846 2.311 6.210 1.00 0.00 N ATOM 85 N1 A A 3 2.539 4.506 5.958 1.00 0.00 N ATOM 86 C2 A A 3 3.517 5.407 5.984 1.00 0.00 C ATOM 87 N3 A A 3 4.802 5.235 6.268 1.00 0.00 N ATOM 88 C4 A A 3 5.056 3.934 6.548 1.00 0.00 C ATOM 0 H5' A A 3 9.279 1.781 10.151 1.00 0.00 H new ATOM 0 H5'' A A 3 7.965 1.344 9.078 1.00 0.00 H new ATOM 0 H4' A A 3 10.061 3.470 8.521 1.00 0.00 H new ATOM 0 H3' A A 3 7.270 3.481 9.734 1.00 0.00 H new ATOM 0 H2' A A 3 6.664 5.485 8.460 1.00 0.00 H new ATOM 0 HO2' A A 3 9.232 5.965 8.718 1.00 0.00 H new ATOM 0 H1' A A 3 7.672 4.708 6.065 1.00 0.00 H new ATOM 0 H8 A A 3 6.828 1.333 7.214 1.00 0.00 H new ATOM 0 H61 A A 3 0.893 2.595 5.981 1.00 0.00 H new ATOM 0 H62 A A 3 2.052 1.332 6.411 1.00 0.00 H new ATOM 0 H2 A A 3 3.225 6.418 5.740 1.00 0.00 H new ATOM 100 P G A 4 7.954 5.253 11.572 1.00 0.00 P ATOM 101 OP1 G A 4 8.876 6.101 12.361 1.00 0.00 O ATOM 102 OP2 G A 4 7.268 4.114 12.220 1.00 0.00 O ATOM 103 O5' G A 4 6.835 6.199 10.918 1.00 0.00 O ATOM 104 C5' G A 4 7.145 7.485 10.417 1.00 0.00 C ATOM 105 C4' G A 4 5.859 8.127 9.954 1.00 0.00 C ATOM 106 O4' G A 4 5.291 7.397 8.882 1.00 0.00 O ATOM 107 C3' G A 4 4.825 8.099 11.028 1.00 0.00 C ATOM 108 O3' G A 4 5.068 9.077 12.025 1.00 0.00 O ATOM 109 C2' G A 4 3.625 8.427 10.190 1.00 0.00 C ATOM 110 O2' G A 4 3.659 9.791 9.819 1.00 0.00 O ATOM 111 C1' G A 4 3.884 7.587 8.953 1.00 0.00 C ATOM 112 N9 G A 4 3.188 6.287 9.041 1.00 0.00 N ATOM 113 C8 G A 4 3.708 5.035 9.252 1.00 0.00 C ATOM 114 N7 G A 4 2.820 4.079 9.213 1.00 0.00 N ATOM 115 C5 G A 4 1.622 4.745 8.965 1.00 0.00 C ATOM 116 C6 G A 4 0.295 4.235 8.817 1.00 0.00 C ATOM 117 O6 G A 4 -0.094 3.068 8.853 1.00 0.00 O ATOM 118 N1 G A 4 -0.618 5.256 8.612 1.00 0.00 N ATOM 119 C2 G A 4 -0.313 6.594 8.531 1.00 0.00 C ATOM 120 N2 G A 4 -1.336 7.429 8.322 1.00 0.00 N ATOM 121 N3 G A 4 0.926 7.077 8.648 1.00 0.00 N ATOM 122 C4 G A 4 1.840 6.099 8.869 1.00 0.00 C ATOM 0 H5' G A 4 7.853 7.412 9.592 1.00 0.00 H new ATOM 0 H5'' G A 4 7.617 8.092 11.190 1.00 0.00 H new ATOM 0 H4' G A 4 6.117 9.146 9.667 1.00 0.00 H new ATOM 0 H3' G A 4 4.760 7.175 11.602 1.00 0.00 H new ATOM 0 H2' G A 4 2.672 8.243 10.687 1.00 0.00 H new ATOM 0 HO2' G A 4 4.290 10.271 10.395 1.00 0.00 H new ATOM 0 H1' G A 4 3.507 8.085 8.060 1.00 0.00 H new ATOM 0 H8 G A 4 4.757 4.856 9.434 1.00 0.00 H new ATOM 0 H1 G A 4 -1.599 4.993 8.513 1.00 0.00 H new ATOM 0 H21 G A 4 -1.169 8.433 8.253 1.00 0.00 H new ATOM 0 H22 G A 4 -2.283 7.062 8.231 1.00 0.00 H new ATOM 134 P U A 5 4.342 9.001 13.462 1.00 0.00 P ATOM 135 OP1 U A 5 4.614 10.264 14.184 1.00 0.00 O ATOM 136 OP2 U A 5 4.701 7.708 14.085 1.00 0.00 O ATOM 137 O5' U A 5 2.777 8.957 13.100 1.00 0.00 O ATOM 138 C5' U A 5 2.090 10.099 12.633 1.00 0.00 C ATOM 139 C4' U A 5 0.634 9.711 12.363 1.00 0.00 C ATOM 140 O4' U A 5 0.543 8.682 11.383 1.00 0.00 O ATOM 141 C3' U A 5 -0.017 9.162 13.621 1.00 0.00 C ATOM 142 O3' U A 5 -0.553 10.192 14.440 1.00 0.00 O ATOM 143 C2' U A 5 -1.086 8.278 13.067 1.00 0.00 C ATOM 144 O2' U A 5 -2.235 9.044 12.769 1.00 0.00 O ATOM 145 C1' U A 5 -0.490 7.770 11.773 1.00 0.00 C ATOM 146 N1 U A 5 0.058 6.402 11.909 1.00 0.00 N ATOM 147 C2 U A 5 -0.825 5.346 11.753 1.00 0.00 C ATOM 148 O2 U A 5 -2.025 5.525 11.564 1.00 0.00 O ATOM 149 N3 U A 5 -0.282 4.073 11.816 1.00 0.00 N ATOM 150 C4 U A 5 1.065 3.775 11.978 1.00 0.00 C ATOM 151 O4 U A 5 1.448 2.609 12.029 1.00 0.00 O ATOM 152 C5 U A 5 1.919 4.946 12.063 1.00 0.00 C ATOM 153 C6 U A 5 1.401 6.185 12.030 1.00 0.00 C ATOM 0 H5' U A 5 2.557 10.477 11.723 1.00 0.00 H new ATOM 0 H5'' U A 5 2.138 10.899 13.372 1.00 0.00 H new ATOM 0 H4' U A 5 0.134 10.616 12.018 1.00 0.00 H new ATOM 0 H3' U A 5 0.682 8.642 14.276 1.00 0.00 H new ATOM 0 H2' U A 5 -1.380 7.487 13.757 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.069 9.983 12.994 1.00 0.00 H new ATOM 0 H1' U A 5 -1.272 7.716 11.016 1.00 0.00 H new ATOM 0 H3 U A 5 -0.927 3.287 11.737 1.00 0.00 H new ATOM 0 H5 U A 5 2.988 4.819 12.154 1.00 0.00 H new ATOM 0 H6 U A 5 2.065 7.034 12.101 1.00 0.00 H new ATOM 164 P U A 6 -1.131 9.872 15.919 1.00 0.00 P ATOM 165 OP1 U A 6 -1.389 11.162 16.597 1.00 0.00 O ATOM 166 OP2 U A 6 -0.228 8.884 16.550 1.00 0.00 O ATOM 167 O5' U A 6 -2.560 9.148 15.666 1.00 0.00 O ATOM 168 C5' U A 6 -3.730 9.898 15.365 1.00 0.00 C ATOM 169 C4' U A 6 -4.957 8.966 15.369 1.00 0.00 C ATOM 170 O4' U A 6 -4.876 7.989 14.341 1.00 0.00 O ATOM 171 C3' U A 6 -5.074 8.197 16.672 1.00 0.00 C ATOM 172 O3' U A 6 -5.707 8.963 17.680 1.00 0.00 O ATOM 173 C2' U A 6 -5.921 7.024 16.253 1.00 0.00 C ATOM 174 O2' U A 6 -7.282 7.407 16.218 1.00 0.00 O ATOM 175 C1' U A 6 -5.463 6.772 14.827 1.00 0.00 C ATOM 176 N1 U A 6 -4.460 5.692 14.757 1.00 0.00 N ATOM 177 C2 U A 6 -4.908 4.385 14.641 1.00 0.00 C ATOM 178 O2 U A 6 -6.098 4.089 14.716 1.00 0.00 O ATOM 179 N3 U A 6 -3.932 3.425 14.425 1.00 0.00 N ATOM 180 C4 U A 6 -2.571 3.660 14.300 1.00 0.00 C ATOM 181 O4 U A 6 -1.790 2.733 14.106 1.00 0.00 O ATOM 182 C5 U A 6 -2.204 5.053 14.415 1.00 0.00 C ATOM 183 C6 U A 6 -3.142 5.997 14.642 1.00 0.00 C ATOM 0 H5' U A 6 -3.627 10.376 14.391 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.863 10.694 16.098 1.00 0.00 H new ATOM 0 H4' U A 6 -5.817 9.619 15.222 1.00 0.00 H new ATOM 0 H3' U A 6 -4.115 7.920 17.109 1.00 0.00 H new ATOM 0 H2' U A 6 -5.825 6.166 16.919 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.629 7.464 17.133 1.00 0.00 H new ATOM 0 H1' U A 6 -6.319 6.466 14.226 1.00 0.00 H new ATOM 0 H3 U A 6 -4.243 2.457 14.351 1.00 0.00 H new ATOM 0 H5 U A 6 -1.168 5.342 14.318 1.00 0.00 H new ATOM 0 H6 U A 6 -2.834 7.028 14.735 1.00 0.00 H new ATOM 194 P C A 7 -5.852 8.391 19.177 1.00 0.00 P ATOM 195 OP1 C A 7 -6.484 9.433 20.016 1.00 0.00 O ATOM 196 OP2 C A 7 -4.549 7.814 19.575 1.00 0.00 O ATOM 197 O5' C A 7 -6.907 7.183 18.994 1.00 0.00 O ATOM 198 C5' C A 7 -6.833 6.047 19.821 1.00 0.00 C ATOM 199 C4' C A 7 -7.891 5.008 19.427 1.00 0.00 C ATOM 200 O4' C A 7 -7.748 4.568 18.063 1.00 0.00 O ATOM 201 C3' C A 7 -7.702 3.782 20.295 1.00 0.00 C ATOM 202 O3' C A 7 -8.456 3.864 21.490 1.00 0.00 O ATOM 203 C2' C A 7 -8.191 2.679 19.398 1.00 0.00 C ATOM 204 O2' C A 7 -9.602 2.631 19.415 1.00 0.00 O ATOM 205 C1' C A 7 -7.737 3.128 18.033 1.00 0.00 C ATOM 206 N1 C A 7 -6.370 2.634 17.733 1.00 0.00 N ATOM 207 C2 C A 7 -6.216 1.295 17.375 1.00 0.00 C ATOM 208 O2 C A 7 -7.184 0.538 17.363 1.00 0.00 O ATOM 209 N3 C A 7 -4.968 0.858 17.038 1.00 0.00 N ATOM 210 C4 C A 7 -3.921 1.698 17.041 1.00 0.00 C ATOM 211 N4 C A 7 -2.716 1.232 16.697 1.00 0.00 N ATOM 212 C5 C A 7 -4.078 3.082 17.379 1.00 0.00 C ATOM 213 C6 C A 7 -5.316 3.491 17.711 1.00 0.00 C ATOM 0 H5' C A 7 -6.976 6.340 20.861 1.00 0.00 H new ATOM 0 H5'' C A 7 -5.839 5.605 19.749 1.00 0.00 H new ATOM 0 H4' C A 7 -8.867 5.476 19.552 1.00 0.00 H new ATOM 0 H3' C A 7 -6.676 3.642 20.635 1.00 0.00 H new ATOM 0 H2' C A 7 -7.823 1.696 19.691 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.938 3.159 20.169 1.00 0.00 H new ATOM 0 H1' C A 7 -8.393 2.733 17.257 1.00 0.00 H new ATOM 0 H41 C A 7 -1.910 1.857 16.694 1.00 0.00 H new ATOM 0 H42 C A 7 -2.603 0.252 16.438 1.00 0.00 H new ATOM 0 H5 C A 7 -3.241 3.765 17.368 1.00 0.00 H new ATOM 0 H6 C A 7 -5.476 4.528 17.967 1.00 0.00 H new ATOM 225 P C A 8 -8.081 2.956 22.767 1.00 0.00 P ATOM 226 OP1 C A 8 -9.125 3.150 23.797 1.00 0.00 O ATOM 227 OP2 C A 8 -6.662 3.210 23.103 1.00 0.00 O ATOM 228 O5' C A 8 -8.196 1.452 22.213 1.00 0.00 O ATOM 229 C5' C A 8 -9.449 0.822 22.048 1.00 0.00 C ATOM 230 C4' C A 8 -9.213 -0.596 21.527 1.00 0.00 C ATOM 231 O4' C A 8 -8.578 -0.582 20.251 1.00 0.00 O ATOM 232 C3' C A 8 -8.268 -1.358 22.430 1.00 0.00 C ATOM 233 O3' C A 8 -8.916 -1.884 23.569 1.00 0.00 O ATOM 234 C2' C A 8 -7.802 -2.449 21.506 1.00 0.00 C ATOM 235 O2' C A 8 -8.753 -3.491 21.483 1.00 0.00 O ATOM 236 C1' C A 8 -7.762 -1.761 20.146 1.00 0.00 C ATOM 237 N1 C A 8 -6.354 -1.398 19.854 1.00 0.00 N ATOM 238 C2 C A 8 -5.521 -2.390 19.354 1.00 0.00 C ATOM 239 O2 C A 8 -5.967 -3.508 19.108 1.00 0.00 O ATOM 240 N3 C A 8 -4.206 -2.088 19.152 1.00 0.00 N ATOM 241 C4 C A 8 -3.729 -0.868 19.439 1.00 0.00 C ATOM 242 N4 C A 8 -2.436 -0.610 19.219 1.00 0.00 N ATOM 243 C5 C A 8 -4.574 0.153 19.981 1.00 0.00 C ATOM 244 C6 C A 8 -5.873 -0.165 20.167 1.00 0.00 C ATOM 0 H5' C A 8 -10.067 1.385 21.348 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.986 0.793 22.996 1.00 0.00 H new ATOM 0 H4' C A 8 -10.197 -1.062 21.481 1.00 0.00 H new ATOM 0 H3' C A 8 -7.470 -0.745 22.848 1.00 0.00 H new ATOM 0 H2' C A 8 -6.847 -2.886 21.799 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.355 -3.402 22.251 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.267 -2.368 24.120 1.00 0.00 H new ATOM 0 H1' C A 8 -8.133 -2.401 19.345 1.00 0.00 H new ATOM 0 H41 C A 8 -2.057 0.313 19.432 1.00 0.00 H new ATOM 0 H42 C A 8 -1.829 -1.336 18.838 1.00 0.00 H new ATOM 0 H5 C A 8 -4.190 1.132 20.229 1.00 0.00 H new ATOM 0 H6 C A 8 -6.545 0.576 20.573 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.688 -8.516 15.818 1.00 0.00 O ATOM 259 C5' G B 9 3.176 -9.824 15.952 1.00 0.00 C ATOM 260 C4' G B 9 1.696 -9.768 16.338 1.00 0.00 C ATOM 261 O4' G B 9 1.509 -9.117 17.595 1.00 0.00 O ATOM 262 C3' G B 9 0.864 -8.969 15.355 1.00 0.00 C ATOM 263 O3' G B 9 0.577 -9.680 14.167 1.00 0.00 O ATOM 264 C2' G B 9 -0.368 -8.746 16.191 1.00 0.00 C ATOM 265 O2' G B 9 -1.113 -9.942 16.275 1.00 0.00 O ATOM 266 C1' G B 9 0.234 -8.455 17.557 1.00 0.00 C ATOM 267 N9 G B 9 0.410 -6.998 17.722 1.00 0.00 N ATOM 268 C8 G B 9 1.548 -6.242 17.606 1.00 0.00 C ATOM 269 N7 G B 9 1.360 -4.968 17.817 1.00 0.00 N ATOM 270 C5 G B 9 -0.001 -4.872 18.092 1.00 0.00 C ATOM 271 C6 G B 9 -0.796 -3.729 18.401 1.00 0.00 C ATOM 272 O6 G B 9 -0.442 -2.556 18.493 1.00 0.00 O ATOM 273 N1 G B 9 -2.128 -4.073 18.611 1.00 0.00 N ATOM 274 C2 G B 9 -2.635 -5.353 18.532 1.00 0.00 C ATOM 275 N2 G B 9 -3.945 -5.496 18.755 1.00 0.00 N ATOM 276 N3 G B 9 -1.893 -6.426 18.244 1.00 0.00 N ATOM 277 C4 G B 9 -0.589 -6.112 18.036 1.00 0.00 C ATOM 0 H5' G B 9 3.738 -10.368 16.711 1.00 0.00 H new ATOM 0 H5'' G B 9 3.296 -10.368 15.015 1.00 0.00 H new ATOM 0 H4' G B 9 1.380 -10.811 16.361 1.00 0.00 H new ATOM 0 H3' G B 9 1.348 -8.066 14.983 1.00 0.00 H new ATOM 0 H2' G B 9 -1.029 -7.971 15.803 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.913 -9.792 16.821 1.00 0.00 H new ATOM 0 HO5' G B 9 4.636 -8.559 15.573 1.00 0.00 H new ATOM 0 H1' G B 9 -0.412 -8.809 18.361 1.00 0.00 H new ATOM 0 H8 G B 9 2.512 -6.663 17.362 1.00 0.00 H new ATOM 0 H1 G B 9 -2.778 -3.322 18.841 1.00 0.00 H new ATOM 0 H21 G B 9 -4.372 -6.421 18.709 1.00 0.00 H new ATOM 0 H22 G B 9 -4.518 -4.680 18.971 1.00 0.00 H new ATOM 290 P G B 10 -0.093 -8.930 12.902 1.00 0.00 P ATOM 291 OP1 G B 10 -0.249 -9.920 11.813 1.00 0.00 O ATOM 292 OP2 G B 10 0.669 -7.686 12.658 1.00 0.00 O ATOM 293 O5' G B 10 -1.568 -8.519 13.419 1.00 0.00 O ATOM 294 C5' G B 10 -2.589 -9.486 13.549 1.00 0.00 C ATOM 295 C4' G B 10 -3.907 -8.815 13.954 1.00 0.00 C ATOM 296 O4' G B 10 -3.830 -8.153 15.219 1.00 0.00 O ATOM 297 C3' G B 10 -4.342 -7.751 12.968 1.00 0.00 C ATOM 298 O3' G B 10 -4.917 -8.291 11.795 1.00 0.00 O ATOM 299 C2' G B 10 -5.353 -7.018 13.806 1.00 0.00 C ATOM 300 O2' G B 10 -6.530 -7.788 13.943 1.00 0.00 O ATOM 301 C1' G B 10 -4.646 -6.965 15.143 1.00 0.00 C ATOM 302 N9 G B 10 -3.775 -5.780 15.237 1.00 0.00 N ATOM 303 C8 G B 10 -2.417 -5.719 15.105 1.00 0.00 C ATOM 304 N7 G B 10 -1.915 -4.533 15.306 1.00 0.00 N ATOM 305 C5 G B 10 -3.026 -3.746 15.601 1.00 0.00 C ATOM 306 C6 G B 10 -3.106 -2.361 15.932 1.00 0.00 C ATOM 307 O6 G B 10 -2.192 -1.544 16.019 1.00 0.00 O ATOM 308 N1 G B 10 -4.416 -1.966 16.177 1.00 0.00 N ATOM 309 C2 G B 10 -5.516 -2.796 16.118 1.00 0.00 C ATOM 310 N2 G B 10 -6.703 -2.238 16.383 1.00 0.00 N ATOM 311 N3 G B 10 -5.445 -4.098 15.814 1.00 0.00 N ATOM 312 C4 G B 10 -4.172 -4.504 15.566 1.00 0.00 C ATOM 0 H5' G B 10 -2.305 -10.227 14.297 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.718 -10.018 12.606 1.00 0.00 H new ATOM 0 H4' G B 10 -4.617 -9.641 13.989 1.00 0.00 H new ATOM 0 H3' G B 10 -3.529 -7.138 12.579 1.00 0.00 H new ATOM 0 H2' G B 10 -5.650 -6.053 13.396 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.179 -7.299 14.492 1.00 0.00 H new ATOM 0 H1' G B 10 -5.374 -6.908 15.953 1.00 0.00 H new ATOM 0 H8 G B 10 -1.812 -6.578 14.856 1.00 0.00 H new ATOM 0 H1 G B 10 -4.576 -0.988 16.419 1.00 0.00 H new ATOM 0 H21 G B 10 -7.551 -2.805 16.354 1.00 0.00 H new ATOM 0 H22 G B 10 -6.760 -1.246 16.614 1.00 0.00 H new ATOM 324 P A B 11 -5.149 -7.366 10.491 1.00 0.00 P ATOM 325 OP1 A B 11 -5.843 -8.179 9.468 1.00 0.00 O ATOM 326 OP2 A B 11 -3.861 -6.716 10.161 1.00 0.00 O ATOM 327 O5' A B 11 -6.166 -6.223 11.000 1.00 0.00 O ATOM 328 C5' A B 11 -7.532 -6.507 11.211 1.00 0.00 C ATOM 329 C4' A B 11 -8.258 -5.238 11.668 1.00 0.00 C ATOM 330 O4' A B 11 -7.746 -4.729 12.893 1.00 0.00 O ATOM 331 C3' A B 11 -8.135 -4.112 10.665 1.00 0.00 C ATOM 332 O3' A B 11 -9.011 -4.286 9.567 1.00 0.00 O ATOM 333 C2' A B 11 -8.536 -2.941 11.531 1.00 0.00 C ATOM 334 O2' A B 11 -9.932 -2.961 11.738 1.00 0.00 O ATOM 335 C1' A B 11 -7.866 -3.298 12.863 1.00 0.00 C ATOM 336 N9 A B 11 -6.518 -2.727 12.928 1.00 0.00 N ATOM 337 C8 A B 11 -5.327 -3.364 12.745 1.00 0.00 C ATOM 338 N7 A B 11 -4.284 -2.596 12.900 1.00 0.00 N ATOM 339 C5 A B 11 -4.833 -1.359 13.225 1.00 0.00 C ATOM 340 C6 A B 11 -4.260 -0.114 13.539 1.00 0.00 C ATOM 341 N6 A B 11 -2.940 0.102 13.555 1.00 0.00 N ATOM 342 N1 A B 11 -5.094 0.897 13.848 1.00 0.00 N ATOM 343 C2 A B 11 -6.407 0.680 13.837 1.00 0.00 C ATOM 344 N3 A B 11 -7.065 -0.437 13.555 1.00 0.00 N ATOM 345 C4 A B 11 -6.198 -1.433 13.253 1.00 0.00 C ATOM 0 H5' A B 11 -7.639 -7.289 11.962 1.00 0.00 H new ATOM 0 H5'' A B 11 -7.981 -6.884 10.292 1.00 0.00 H new ATOM 0 H4' A B 11 -9.297 -5.549 11.781 1.00 0.00 H new ATOM 0 H3' A B 11 -7.155 -4.019 10.198 1.00 0.00 H new ATOM 0 H2' A B 11 -8.264 -1.972 11.112 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.190 -2.202 12.301 1.00 0.00 H new ATOM 0 H1' A B 11 -8.453 -2.911 13.696 1.00 0.00 H new ATOM 0 H8 A B 11 -5.253 -4.412 12.494 1.00 0.00 H new ATOM 0 H61 A B 11 -2.577 1.026 13.790 1.00 0.00 H new ATOM 0 H62 A B 11 -2.296 -0.657 13.332 1.00 0.00 H new ATOM 0 H2 A B 11 -7.022 1.530 14.093 1.00 0.00 H new ATOM 357 P G B 12 -8.823 -3.428 8.216 1.00 0.00 P ATOM 358 OP1 G B 12 -9.954 -3.737 7.313 1.00 0.00 O ATOM 359 OP2 G B 12 -7.434 -3.622 7.744 1.00 0.00 O ATOM 360 O5' G B 12 -8.974 -1.905 8.706 1.00 0.00 O ATOM 361 C5' G B 12 -10.231 -1.372 9.067 1.00 0.00 C ATOM 362 C4' G B 12 -10.055 0.072 9.472 1.00 0.00 C ATOM 363 O4' G B 12 -9.227 0.177 10.617 1.00 0.00 O ATOM 364 C3' G B 12 -9.359 0.871 8.419 1.00 0.00 C ATOM 365 O3' G B 12 -10.211 1.184 7.330 1.00 0.00 O ATOM 366 C2' G B 12 -9.046 2.083 9.247 1.00 0.00 C ATOM 367 O2' G B 12 -10.238 2.806 9.486 1.00 0.00 O ATOM 368 C1' G B 12 -8.603 1.453 10.557 1.00 0.00 C ATOM 369 N9 G B 12 -7.135 1.315 10.611 1.00 0.00 N ATOM 370 C8 G B 12 -6.364 0.195 10.439 1.00 0.00 C ATOM 371 N7 G B 12 -5.085 0.401 10.608 1.00 0.00 N ATOM 372 C5 G B 12 -5.001 1.759 10.909 1.00 0.00 C ATOM 373 C6 G B 12 -3.862 2.575 11.198 1.00 0.00 C ATOM 374 O6 G B 12 -2.675 2.251 11.254 1.00 0.00 O ATOM 375 N1 G B 12 -4.230 3.892 11.433 1.00 0.00 N ATOM 376 C2 G B 12 -5.518 4.376 11.407 1.00 0.00 C ATOM 377 N2 G B 12 -5.674 5.680 11.659 1.00 0.00 N ATOM 378 N3 G B 12 -6.585 3.618 11.148 1.00 0.00 N ATOM 379 C4 G B 12 -6.254 2.325 10.907 1.00 0.00 C ATOM 0 H5' G B 12 -10.660 -1.944 9.890 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.926 -1.446 8.230 1.00 0.00 H new ATOM 0 H4' G B 12 -11.063 0.447 9.650 1.00 0.00 H new ATOM 0 H3' G B 12 -8.512 0.384 7.937 1.00 0.00 H new ATOM 0 H2' G B 12 -8.323 2.759 8.791 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.867 2.653 8.750 1.00 0.00 H new ATOM 0 H1' G B 12 -8.889 2.076 11.404 1.00 0.00 H new ATOM 0 H8 G B 12 -6.777 -0.771 10.187 1.00 0.00 H new ATOM 0 H1 G B 12 -3.485 4.556 11.642 1.00 0.00 H new ATOM 0 H21 G B 12 -6.607 6.093 11.653 1.00 0.00 H new ATOM 0 H22 G B 12 -4.860 6.262 11.857 1.00 0.00 H new ATOM 391 P U B 13 -9.610 1.687 5.919 1.00 0.00 P ATOM 392 OP1 U B 13 -10.734 2.162 5.082 1.00 0.00 O ATOM 393 OP2 U B 13 -8.710 0.630 5.408 1.00 0.00 O ATOM 394 O5' U B 13 -8.704 2.958 6.313 1.00 0.00 O ATOM 395 C5' U B 13 -9.277 4.207 6.640 1.00 0.00 C ATOM 396 C4' U B 13 -8.154 5.185 6.993 1.00 0.00 C ATOM 397 O4' U B 13 -7.393 4.730 8.109 1.00 0.00 O ATOM 398 C3' U B 13 -7.174 5.327 5.843 1.00 0.00 C ATOM 399 O3' U B 13 -7.603 6.281 4.880 1.00 0.00 O ATOM 400 C2' U B 13 -5.932 5.765 6.547 1.00 0.00 C ATOM 401 O2' U B 13 -5.975 7.158 6.777 1.00 0.00 O ATOM 402 C1' U B 13 -6.014 5.042 7.876 1.00 0.00 C ATOM 403 N1 U B 13 -5.202 3.804 7.872 1.00 0.00 N ATOM 404 C2 U B 13 -3.851 3.928 8.155 1.00 0.00 C ATOM 405 O2 U B 13 -3.331 5.021 8.367 1.00 0.00 O ATOM 406 N3 U B 13 -3.117 2.750 8.188 1.00 0.00 N ATOM 407 C4 U B 13 -3.632 1.473 8.002 1.00 0.00 C ATOM 408 O4 U B 13 -2.897 0.490 8.044 1.00 0.00 O ATOM 409 C5 U B 13 -5.064 1.444 7.773 1.00 0.00 C ATOM 410 C6 U B 13 -5.780 2.579 7.714 1.00 0.00 C ATOM 0 H5' U B 13 -9.963 4.100 7.481 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.859 4.587 5.800 1.00 0.00 H new ATOM 0 H4' U B 13 -8.643 6.133 7.218 1.00 0.00 H new ATOM 0 H3' U B 13 -7.052 4.412 5.263 1.00 0.00 H new ATOM 0 H2' U B 13 -5.024 5.551 5.983 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.749 7.542 6.315 1.00 0.00 H new ATOM 0 H1' U B 13 -5.617 5.678 8.667 1.00 0.00 H new ATOM 0 H3 U B 13 -2.115 2.829 8.364 1.00 0.00 H new ATOM 0 H5 U B 13 -5.563 0.494 7.648 1.00 0.00 H new ATOM 0 H6 U B 13 -6.844 2.520 7.536 1.00 0.00 H new ATOM 421 P U B 14 -6.818 6.464 3.474 1.00 0.00 P ATOM 422 OP1 U B 14 -7.651 7.316 2.596 1.00 0.00 O ATOM 423 OP2 U B 14 -6.408 5.120 3.010 1.00 0.00 O ATOM 424 O5' U B 14 -5.474 7.295 3.843 1.00 0.00 O ATOM 425 C5' U B 14 -5.499 8.706 4.016 1.00 0.00 C ATOM 426 C4' U B 14 -4.060 9.240 4.166 1.00 0.00 C ATOM 427 O4' U B 14 -3.439 8.758 5.352 1.00 0.00 O ATOM 428 C3' U B 14 -3.161 8.802 3.022 1.00 0.00 C ATOM 429 O3' U B 14 -3.314 9.595 1.860 1.00 0.00 O ATOM 430 C2' U B 14 -1.820 9.028 3.652 1.00 0.00 C ATOM 431 O2' U B 14 -1.552 10.413 3.700 1.00 0.00 O ATOM 432 C1' U B 14 -2.048 8.544 5.065 1.00 0.00 C ATOM 433 N1 U B 14 -1.734 7.106 5.198 1.00 0.00 N ATOM 434 C2 U B 14 -0.408 6.728 5.346 1.00 0.00 C ATOM 435 O2 U B 14 0.518 7.534 5.275 1.00 0.00 O ATOM 436 N3 U B 14 -0.184 5.380 5.588 1.00 0.00 N ATOM 437 C4 U B 14 -1.161 4.402 5.709 1.00 0.00 C ATOM 438 O4 U B 14 -0.855 3.234 5.927 1.00 0.00 O ATOM 439 C5 U B 14 -2.508 4.897 5.558 1.00 0.00 C ATOM 440 C6 U B 14 -2.739 6.201 5.307 1.00 0.00 C ATOM 0 H5' U B 14 -6.086 8.963 4.898 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.984 9.178 3.162 1.00 0.00 H new ATOM 0 H4' U B 14 -4.166 10.325 4.185 1.00 0.00 H new ATOM 0 H3' U B 14 -3.358 7.791 2.666 1.00 0.00 H new ATOM 0 H2' U B 14 -1.000 8.539 3.126 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.150 10.884 3.083 1.00 0.00 H new ATOM 0 H1' U B 14 -1.400 9.083 5.756 1.00 0.00 H new ATOM 0 H3 U B 14 0.786 5.081 5.686 1.00 0.00 H new ATOM 0 H5 U B 14 -3.341 4.215 5.647 1.00 0.00 H new ATOM 0 H6 U B 14 -3.759 6.537 5.189 1.00 0.00 H new ATOM 451 P C B 15 -2.684 9.119 0.447 1.00 0.00 P ATOM 452 OP1 C B 15 -2.906 10.198 -0.540 1.00 0.00 O ATOM 453 OP2 C B 15 -3.188 7.757 0.167 1.00 0.00 O ATOM 454 O5' C B 15 -1.091 9.011 0.724 1.00 0.00 O ATOM 455 C5' C B 15 -0.258 10.157 0.706 1.00 0.00 C ATOM 456 C4' C B 15 1.207 9.731 0.878 1.00 0.00 C ATOM 457 O4' C B 15 1.437 9.054 2.120 1.00 0.00 O ATOM 458 C3' C B 15 1.633 8.753 -0.196 1.00 0.00 C ATOM 459 O3' C B 15 1.927 9.397 -1.423 1.00 0.00 O ATOM 460 C2' C B 15 2.867 8.176 0.447 1.00 0.00 C ATOM 461 O2' C B 15 3.934 9.096 0.349 1.00 0.00 O ATOM 462 C1' C B 15 2.465 8.064 1.905 1.00 0.00 C ATOM 463 N1 C B 15 1.956 6.702 2.214 1.00 0.00 N ATOM 464 C2 C B 15 2.893 5.709 2.487 1.00 0.00 C ATOM 465 O2 C B 15 4.095 5.954 2.423 1.00 0.00 O ATOM 466 N3 C B 15 2.440 4.469 2.828 1.00 0.00 N ATOM 467 C4 C B 15 1.126 4.212 2.900 1.00 0.00 C ATOM 468 N4 C B 15 0.727 2.983 3.247 1.00 0.00 N ATOM 469 C5 C B 15 0.152 5.229 2.627 1.00 0.00 C ATOM 470 C6 C B 15 0.618 6.449 2.294 1.00 0.00 C ATOM 0 H5' C B 15 -0.545 10.840 1.505 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.383 10.695 -0.234 1.00 0.00 H new ATOM 0 H4' C B 15 1.773 10.661 0.828 1.00 0.00 H new ATOM 0 H3' C B 15 0.873 8.021 -0.471 1.00 0.00 H new ATOM 0 H2' C B 15 3.188 7.238 -0.007 1.00 0.00 H new ATOM 0 HO2' C B 15 3.667 9.847 -0.221 1.00 0.00 H new ATOM 0 H1' C B 15 3.320 8.233 2.560 1.00 0.00 H new ATOM 0 H41 C B 15 -0.268 2.768 3.307 1.00 0.00 H new ATOM 0 H42 C B 15 1.418 2.261 3.451 1.00 0.00 H new ATOM 0 H5 C B 15 -0.907 5.026 2.686 1.00 0.00 H new ATOM 0 H6 C B 15 -0.083 7.244 2.086 1.00 0.00 H new ATOM 482 P C B 16 2.142 8.540 -2.775 1.00 0.00 P ATOM 483 OP1 C B 16 2.497 9.476 -3.864 1.00 0.00 O ATOM 484 OP2 C B 16 0.980 7.638 -2.931 1.00 0.00 O ATOM 485 O5' C B 16 3.433 7.633 -2.453 1.00 0.00 O ATOM 486 C5' C B 16 4.737 8.175 -2.490 1.00 0.00 C ATOM 487 C4' C B 16 5.738 7.087 -2.093 1.00 0.00 C ATOM 488 O4' C B 16 5.484 6.598 -0.778 1.00 0.00 O ATOM 489 C3' C B 16 5.630 5.873 -2.987 1.00 0.00 C ATOM 490 O3' C B 16 6.279 6.055 -4.227 1.00 0.00 O ATOM 491 C2' C B 16 6.328 4.839 -2.142 1.00 0.00 C ATOM 492 O2' C B 16 7.726 4.971 -2.291 1.00 0.00 O ATOM 493 C1' C B 16 5.929 5.233 -0.721 1.00 0.00 C ATOM 494 N1 C B 16 4.827 4.342 -0.278 1.00 0.00 N ATOM 495 C2 C B 16 5.168 3.119 0.288 1.00 0.00 C ATOM 496 O2 C B 16 6.348 2.829 0.473 1.00 0.00 O ATOM 497 N3 C B 16 4.163 2.260 0.622 1.00 0.00 N ATOM 498 C4 C B 16 2.880 2.584 0.405 1.00 0.00 C ATOM 499 N4 C B 16 1.925 1.714 0.750 1.00 0.00 N ATOM 500 C5 C B 16 2.519 3.833 -0.192 1.00 0.00 C ATOM 501 C6 C B 16 3.527 4.671 -0.513 1.00 0.00 C ATOM 0 H5' C B 16 4.812 9.023 -1.809 1.00 0.00 H new ATOM 0 H5'' C B 16 4.962 8.548 -3.489 1.00 0.00 H new ATOM 0 H4' C B 16 6.717 7.559 -2.171 1.00 0.00 H new ATOM 0 H3' C B 16 4.608 5.620 -3.268 1.00 0.00 H new ATOM 0 H2' C B 16 6.066 3.814 -2.403 1.00 0.00 H new ATOM 0 HO2' C B 16 7.926 5.373 -3.162 1.00 0.00 H new ATOM 0 HO3' C B 16 6.183 5.244 -4.769 1.00 0.00 H new ATOM 0 H1' C B 16 6.757 5.137 -0.018 1.00 0.00 H new ATOM 0 H41 C B 16 0.944 1.944 0.592 1.00 0.00 H new ATOM 0 H42 C B 16 2.178 0.820 1.171 1.00 0.00 H new ATOM 0 H5 C B 16 1.487 4.093 -0.377 1.00 0.00 H new ATOM 0 H6 C B 16 3.297 5.624 -0.966 1.00 0.00 H new TER 514 C B 16