USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 133 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 -17:sc= 0.102 USER MOD Single : A 1 G O5' : rot -3:sc= -0.743! USER MOD Single : A 2 G O2' : rot -18:sc= 0.243 USER MOD Single : A 3 G O2' : rot -14:sc= 0.289 USER MOD Single : A 4 C O2' : rot -19:sc= 0.249 USER MOD Single : A 5 G O2' : rot -17:sc= 1.11 USER MOD Single : A 6 C O2' : rot -24:sc= 0.274 USER MOD Single : A 7 A O2' : rot -71:sc= 0.524 USER MOD Single : A 8 A O2' : rot -16:sc= 0.258 USER MOD Single : A 9 G O2' : rot -8:sc= 0.0484 USER MOD Single : A 10 C O2' : rot -9:sc= -1.2 USER MOD Single : A 11 C O2' : rot -13:sc= -0.248 USER MOD Single : A 12 U O2' : rot -24:sc= 0.114 USER MOD Single : A 12 U O3' : rot 180:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -9.563 -5.990 -2.289 1.00 0.00 O ATOM 2 C5' G A 1 -10.058 -6.676 -3.443 1.00 0.00 C ATOM 3 C4' G A 1 -10.226 -5.734 -4.635 1.00 0.00 C ATOM 4 O4' G A 1 -11.142 -4.667 -4.337 1.00 0.00 O ATOM 5 C3' G A 1 -8.912 -5.050 -4.988 1.00 0.00 C ATOM 6 O3' G A 1 -8.223 -5.838 -5.967 1.00 0.00 O ATOM 7 C2' G A 1 -9.397 -3.773 -5.641 1.00 0.00 C ATOM 8 O2' G A 1 -9.831 -3.997 -6.988 1.00 0.00 O ATOM 9 C1' G A 1 -10.556 -3.412 -4.728 1.00 0.00 C ATOM 10 N9 G A 1 -10.079 -2.658 -3.554 1.00 0.00 N ATOM 11 C8 G A 1 -9.919 -3.069 -2.274 1.00 0.00 C ATOM 12 N7 G A 1 -9.460 -2.214 -1.423 1.00 0.00 N ATOM 13 C5 G A 1 -9.286 -1.083 -2.225 1.00 0.00 C ATOM 14 C6 G A 1 -8.802 0.209 -1.886 1.00 0.00 C ATOM 15 O6 G A 1 -8.428 0.624 -0.791 1.00 0.00 O ATOM 16 N1 G A 1 -8.784 1.049 -2.987 1.00 0.00 N ATOM 17 C2 G A 1 -9.181 0.702 -4.260 1.00 0.00 C ATOM 18 N2 G A 1 -9.089 1.651 -5.185 1.00 0.00 N ATOM 19 N3 G A 1 -9.637 -0.507 -4.590 1.00 0.00 N ATOM 20 C4 G A 1 -9.664 -1.347 -3.532 1.00 0.00 C ATOM 0 H5' G A 1 -11.016 -7.139 -3.207 1.00 0.00 H new ATOM 0 H5'' G A 1 -9.373 -7.481 -3.709 1.00 0.00 H new ATOM 0 H4' G A 1 -10.589 -6.357 -5.453 1.00 0.00 H new ATOM 0 H3' G A 1 -8.240 -4.901 -4.143 1.00 0.00 H new ATOM 0 H2' G A 1 -8.638 -2.997 -5.735 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.481 -4.855 -7.306 1.00 0.00 H new ATOM 0 HO5' G A 1 -9.386 -5.053 -2.516 1.00 0.00 H new ATOM 0 H1' G A 1 -11.283 -2.772 -5.228 1.00 0.00 H new ATOM 0 H8 G A 1 -10.167 -4.077 -1.975 1.00 0.00 H new ATOM 0 H1 G A 1 -8.450 2.002 -2.844 1.00 0.00 H new ATOM 0 H21 G A 1 -9.368 1.455 -6.146 1.00 0.00 H new ATOM 0 H22 G A 1 -8.739 2.576 -4.934 1.00 0.00 H new ATOM 33 P G A 2 -6.611 -5.839 -6.030 1.00 0.00 P ATOM 34 OP1 G A 2 -6.194 -6.709 -7.153 1.00 0.00 O ATOM 35 OP2 G A 2 -6.095 -6.096 -4.667 1.00 0.00 O ATOM 36 O5' G A 2 -6.271 -4.313 -6.419 1.00 0.00 O ATOM 37 C5' G A 2 -6.573 -3.803 -7.723 1.00 0.00 C ATOM 38 C4' G A 2 -6.477 -2.279 -7.775 1.00 0.00 C ATOM 39 O4' G A 2 -7.313 -1.667 -6.784 1.00 0.00 O ATOM 40 C3' G A 2 -5.070 -1.796 -7.459 1.00 0.00 C ATOM 41 O3' G A 2 -4.315 -1.728 -8.676 1.00 0.00 O ATOM 42 C2' G A 2 -5.325 -0.386 -6.970 1.00 0.00 C ATOM 43 O2' G A 2 -5.492 0.531 -8.057 1.00 0.00 O ATOM 44 C1' G A 2 -6.614 -0.562 -6.180 1.00 0.00 C ATOM 45 N9 G A 2 -6.322 -0.821 -4.759 1.00 0.00 N ATOM 46 C8 G A 2 -6.515 -1.943 -4.029 1.00 0.00 C ATOM 47 N7 G A 2 -6.176 -1.913 -2.783 1.00 0.00 N ATOM 48 C5 G A 2 -5.688 -0.609 -2.653 1.00 0.00 C ATOM 49 C6 G A 2 -5.155 0.060 -1.518 1.00 0.00 C ATOM 50 O6 G A 2 -5.011 -0.367 -0.375 1.00 0.00 O ATOM 51 N1 G A 2 -4.779 1.357 -1.822 1.00 0.00 N ATOM 52 C2 G A 2 -4.898 1.948 -3.060 1.00 0.00 C ATOM 53 N2 G A 2 -4.460 3.196 -3.155 1.00 0.00 N ATOM 54 N3 G A 2 -5.401 1.335 -4.131 1.00 0.00 N ATOM 55 C4 G A 2 -5.774 0.065 -3.861 1.00 0.00 C ATOM 0 H5' G A 2 -7.577 -4.113 -8.011 1.00 0.00 H new ATOM 0 H5'' G A 2 -5.885 -4.235 -8.450 1.00 0.00 H new ATOM 0 H4' G A 2 -6.779 -2.005 -8.786 1.00 0.00 H new ATOM 0 H3' G A 2 -4.527 -2.429 -6.757 1.00 0.00 H new ATOM 0 H2' G A 2 -4.504 0.034 -6.389 1.00 0.00 H new ATOM 0 HO2' G A 2 -5.136 0.133 -8.879 1.00 0.00 H new ATOM 0 H1' G A 2 -7.225 0.340 -6.208 1.00 0.00 H new ATOM 0 H8 G A 2 -6.938 -2.833 -4.472 1.00 0.00 H new ATOM 0 H1 G A 2 -4.382 1.920 -1.069 1.00 0.00 H new ATOM 0 H21 G A 2 -4.519 3.691 -4.045 1.00 0.00 H new ATOM 0 H22 G A 2 -4.064 3.661 -2.338 1.00 0.00 H new ATOM 67 P G A 3 -2.718 -1.949 -8.665 1.00 0.00 P ATOM 68 OP1 G A 3 -2.262 -2.098 -10.065 1.00 0.00 O ATOM 69 OP2 G A 3 -2.400 -2.999 -7.671 1.00 0.00 O ATOM 70 O5' G A 3 -2.174 -0.540 -8.101 1.00 0.00 O ATOM 71 C5' G A 3 -2.127 0.618 -8.946 1.00 0.00 C ATOM 72 C4' G A 3 -1.551 1.833 -8.218 1.00 0.00 C ATOM 73 O4' G A 3 -2.349 2.196 -7.088 1.00 0.00 O ATOM 74 C3' G A 3 -0.170 1.539 -7.660 1.00 0.00 C ATOM 75 O3' G A 3 0.802 1.862 -8.664 1.00 0.00 O ATOM 76 C2' G A 3 -0.060 2.545 -6.526 1.00 0.00 C ATOM 77 O2' G A 3 0.374 3.826 -6.998 1.00 0.00 O ATOM 78 C1' G A 3 -1.495 2.597 -6.001 1.00 0.00 C ATOM 79 N9 G A 3 -1.677 1.708 -4.838 1.00 0.00 N ATOM 80 C8 G A 3 -2.153 0.440 -4.787 1.00 0.00 C ATOM 81 N7 G A 3 -2.247 -0.118 -3.628 1.00 0.00 N ATOM 82 C5 G A 3 -1.776 0.894 -2.786 1.00 0.00 C ATOM 83 C6 G A 3 -1.628 0.908 -1.376 1.00 0.00 C ATOM 84 O6 G A 3 -1.889 0.017 -0.575 1.00 0.00 O ATOM 85 N1 G A 3 -1.120 2.117 -0.926 1.00 0.00 N ATOM 86 C2 G A 3 -0.793 3.187 -1.730 1.00 0.00 C ATOM 87 N2 G A 3 -0.317 4.263 -1.111 1.00 0.00 N ATOM 88 N3 G A 3 -0.929 3.187 -3.058 1.00 0.00 N ATOM 89 C4 G A 3 -1.423 2.015 -3.520 1.00 0.00 C ATOM 0 H5' G A 3 -3.131 0.850 -9.300 1.00 0.00 H new ATOM 0 H5'' G A 3 -1.521 0.401 -9.826 1.00 0.00 H new ATOM 0 H4' G A 3 -1.524 2.632 -8.959 1.00 0.00 H new ATOM 0 H3' G A 3 -0.017 0.505 -7.352 1.00 0.00 H new ATOM 0 H2' G A 3 0.673 2.269 -5.768 1.00 0.00 H new ATOM 0 HO2' G A 3 0.723 3.738 -7.909 1.00 0.00 H new ATOM 0 H1' G A 3 -1.739 3.603 -5.660 1.00 0.00 H new ATOM 0 H8 G A 3 -2.443 -0.085 -5.685 1.00 0.00 H new ATOM 0 H1 G A 3 -0.977 2.223 0.078 1.00 0.00 H new ATOM 0 H21 G A 3 -0.056 5.088 -1.651 1.00 0.00 H new ATOM 0 H22 G A 3 -0.212 4.263 -0.096 1.00 0.00 H new ATOM 101 P C A 4 2.290 1.248 -8.604 1.00 0.00 P ATOM 102 OP1 C A 4 2.966 1.550 -9.886 1.00 0.00 O ATOM 103 OP2 C A 4 2.197 -0.151 -8.131 1.00 0.00 O ATOM 104 O5' C A 4 2.982 2.132 -7.448 1.00 0.00 O ATOM 105 C5' C A 4 3.837 1.523 -6.475 1.00 0.00 C ATOM 106 C4' C A 4 3.983 2.394 -5.230 1.00 0.00 C ATOM 107 O4' C A 4 2.711 2.640 -4.612 1.00 0.00 O ATOM 108 C3' C A 4 4.825 1.699 -4.170 1.00 0.00 C ATOM 109 O3' C A 4 6.195 2.080 -4.351 1.00 0.00 O ATOM 110 C2' C A 4 4.305 2.326 -2.892 1.00 0.00 C ATOM 111 O2' C A 4 4.886 3.616 -2.664 1.00 0.00 O ATOM 112 C1' C A 4 2.814 2.427 -3.192 1.00 0.00 C ATOM 113 N1 C A 4 2.095 1.198 -2.785 1.00 0.00 N ATOM 114 C2 C A 4 1.825 1.029 -1.434 1.00 0.00 C ATOM 115 O2 C A 4 2.191 1.871 -0.617 1.00 0.00 O ATOM 116 N3 C A 4 1.151 -0.086 -1.046 1.00 0.00 N ATOM 117 C4 C A 4 0.756 -0.998 -1.941 1.00 0.00 C ATOM 118 N4 C A 4 0.088 -2.070 -1.523 1.00 0.00 N ATOM 119 C5 C A 4 1.032 -0.832 -3.334 1.00 0.00 C ATOM 120 C6 C A 4 1.699 0.274 -3.711 1.00 0.00 C ATOM 0 H5' C A 4 4.819 1.346 -6.913 1.00 0.00 H new ATOM 0 H5'' C A 4 3.434 0.550 -6.194 1.00 0.00 H new ATOM 0 H4' C A 4 4.447 3.321 -5.567 1.00 0.00 H new ATOM 0 H3' C A 4 4.768 0.611 -4.190 1.00 0.00 H new ATOM 0 H2' C A 4 4.540 1.760 -1.990 1.00 0.00 H new ATOM 0 HO2' C A 4 5.704 3.705 -3.197 1.00 0.00 H new ATOM 0 H1' C A 4 2.355 3.242 -2.632 1.00 0.00 H new ATOM 0 H41 C A 4 -0.219 -2.773 -2.195 1.00 0.00 H new ATOM 0 H42 C A 4 -0.117 -2.188 -0.531 1.00 0.00 H new ATOM 0 H5 C A 4 0.716 -1.568 -4.058 1.00 0.00 H new ATOM 0 H6 C A 4 1.924 0.433 -4.755 1.00 0.00 H new ATOM 132 P G A 5 7.368 0.977 -4.294 1.00 0.00 P ATOM 133 OP1 G A 5 8.644 1.638 -4.649 1.00 0.00 O ATOM 134 OP2 G A 5 6.920 -0.217 -5.046 1.00 0.00 O ATOM 135 O5' G A 5 7.412 0.597 -2.729 1.00 0.00 O ATOM 136 C5' G A 5 8.064 1.455 -1.786 1.00 0.00 C ATOM 137 C4' G A 5 7.727 1.074 -0.346 1.00 0.00 C ATOM 138 O4' G A 5 6.317 1.180 -0.093 1.00 0.00 O ATOM 139 C3' G A 5 8.085 -0.379 -0.060 1.00 0.00 C ATOM 140 O3' G A 5 9.423 -0.431 0.454 1.00 0.00 O ATOM 141 C2' G A 5 7.122 -0.725 1.055 1.00 0.00 C ATOM 142 O2' G A 5 7.591 -0.235 2.320 1.00 0.00 O ATOM 143 C1' G A 5 5.864 0.005 0.599 1.00 0.00 C ATOM 144 N9 G A 5 5.045 -0.849 -0.282 1.00 0.00 N ATOM 145 C8 G A 5 5.013 -0.924 -1.636 1.00 0.00 C ATOM 146 N7 G A 5 4.214 -1.788 -2.169 1.00 0.00 N ATOM 147 C5 G A 5 3.630 -2.369 -1.039 1.00 0.00 C ATOM 148 C6 G A 5 2.658 -3.402 -0.940 1.00 0.00 C ATOM 149 O6 G A 5 2.106 -4.021 -1.845 1.00 0.00 O ATOM 150 N1 G A 5 2.351 -3.685 0.382 1.00 0.00 N ATOM 151 C2 G A 5 2.905 -3.058 1.475 1.00 0.00 C ATOM 152 N2 G A 5 2.473 -3.456 2.662 1.00 0.00 N ATOM 153 N3 G A 5 3.816 -2.092 1.396 1.00 0.00 N ATOM 154 C4 G A 5 4.135 -1.796 0.119 1.00 0.00 C ATOM 0 H5' G A 5 7.767 2.488 -1.968 1.00 0.00 H new ATOM 0 H5'' G A 5 9.143 1.403 -1.933 1.00 0.00 H new ATOM 0 H4' G A 5 8.298 1.758 0.282 1.00 0.00 H new ATOM 0 H3' G A 5 8.026 -1.037 -0.927 1.00 0.00 H new ATOM 0 H2' G A 5 6.982 -1.794 1.213 1.00 0.00 H new ATOM 0 HO2' G A 5 8.545 -0.022 2.255 1.00 0.00 H new ATOM 0 H1' G A 5 5.229 0.266 1.445 1.00 0.00 H new ATOM 0 H8 G A 5 5.633 -0.284 -2.247 1.00 0.00 H new ATOM 0 H1 G A 5 1.661 -4.415 0.558 1.00 0.00 H new ATOM 0 H21 G A 5 2.846 -3.029 3.510 1.00 0.00 H new ATOM 0 H22 G A 5 1.767 -4.190 2.728 1.00 0.00 H new ATOM 166 P C A 6 10.555 -1.316 -0.278 1.00 0.00 P ATOM 167 OP1 C A 6 11.826 -1.139 0.460 1.00 0.00 O ATOM 168 OP2 C A 6 10.498 -1.033 -1.729 1.00 0.00 O ATOM 169 O5' C A 6 10.036 -2.823 -0.031 1.00 0.00 O ATOM 170 C5' C A 6 10.112 -3.806 -1.071 1.00 0.00 C ATOM 171 C4' C A 6 9.844 -5.215 -0.542 1.00 0.00 C ATOM 172 O4' C A 6 10.786 -5.582 0.476 1.00 0.00 O ATOM 173 C3' C A 6 8.475 -5.308 0.117 1.00 0.00 C ATOM 174 O3' C A 6 7.513 -5.701 -0.870 1.00 0.00 O ATOM 175 C2' C A 6 8.672 -6.453 1.089 1.00 0.00 C ATOM 176 O2' C A 6 8.566 -7.724 0.434 1.00 0.00 O ATOM 177 C1' C A 6 10.092 -6.194 1.579 1.00 0.00 C ATOM 178 N1 C A 6 10.101 -5.316 2.770 1.00 0.00 N ATOM 179 C2 C A 6 10.065 -5.923 4.018 1.00 0.00 C ATOM 180 O2 C A 6 10.013 -7.149 4.108 1.00 0.00 O ATOM 181 N3 C A 6 10.087 -5.131 5.123 1.00 0.00 N ATOM 182 C4 C A 6 10.143 -3.799 5.012 1.00 0.00 C ATOM 183 N4 C A 6 10.169 -3.058 6.116 1.00 0.00 N ATOM 184 C5 C A 6 10.179 -3.167 3.731 1.00 0.00 C ATOM 185 C6 C A 6 10.156 -3.957 2.642 1.00 0.00 C ATOM 0 H5' C A 6 11.099 -3.772 -1.531 1.00 0.00 H new ATOM 0 H5'' C A 6 9.389 -3.567 -1.851 1.00 0.00 H new ATOM 0 H4' C A 6 9.917 -5.873 -1.408 1.00 0.00 H new ATOM 0 H3' C A 6 8.132 -4.381 0.576 1.00 0.00 H new ATOM 0 H2' C A 6 7.928 -6.493 1.884 1.00 0.00 H new ATOM 0 HO2' C A 6 8.031 -7.628 -0.381 1.00 0.00 H new ATOM 0 H1' C A 6 10.576 -7.121 1.888 1.00 0.00 H new ATOM 0 H41 C A 6 10.212 -2.041 6.047 1.00 0.00 H new ATOM 0 H42 C A 6 10.146 -3.506 7.032 1.00 0.00 H new ATOM 0 H5 C A 6 10.223 -2.092 3.640 1.00 0.00 H new ATOM 0 H6 C A 6 10.181 -3.513 1.658 1.00 0.00 H new ATOM 197 P A A 7 6.027 -5.081 -0.852 1.00 0.00 P ATOM 198 OP1 A A 7 5.256 -5.685 -1.962 1.00 0.00 O ATOM 199 OP2 A A 7 6.148 -3.611 -0.748 1.00 0.00 O ATOM 200 O5' A A 7 5.435 -5.640 0.541 1.00 0.00 O ATOM 201 C5' A A 7 5.126 -7.031 0.699 1.00 0.00 C ATOM 202 C4' A A 7 5.063 -7.438 2.173 1.00 0.00 C ATOM 203 O4' A A 7 6.294 -7.138 2.847 1.00 0.00 O ATOM 204 C3' A A 7 3.973 -6.673 2.920 1.00 0.00 C ATOM 205 O3' A A 7 2.785 -7.480 2.930 1.00 0.00 O ATOM 206 C2' A A 7 4.535 -6.603 4.329 1.00 0.00 C ATOM 207 O2' A A 7 4.281 -7.809 5.062 1.00 0.00 O ATOM 208 C1' A A 7 6.022 -6.415 4.057 1.00 0.00 C ATOM 209 N9 A A 7 6.368 -4.986 3.907 1.00 0.00 N ATOM 210 C8 A A 7 6.437 -4.225 2.788 1.00 0.00 C ATOM 211 N7 A A 7 6.780 -2.990 2.927 1.00 0.00 N ATOM 212 C5 A A 7 6.967 -2.904 4.309 1.00 0.00 C ATOM 213 C6 A A 7 7.346 -1.852 5.148 1.00 0.00 C ATOM 214 N6 A A 7 7.616 -0.629 4.702 1.00 0.00 N ATOM 215 N1 A A 7 7.433 -2.111 6.464 1.00 0.00 N ATOM 216 C2 A A 7 7.164 -3.331 6.931 1.00 0.00 C ATOM 217 N3 A A 7 6.797 -4.398 6.228 1.00 0.00 N ATOM 218 C4 A A 7 6.717 -4.114 4.913 1.00 0.00 C ATOM 0 H5' A A 7 5.880 -7.631 0.189 1.00 0.00 H new ATOM 0 H5'' A A 7 4.170 -7.247 0.222 1.00 0.00 H new ATOM 0 H4' A A 7 4.860 -8.509 2.178 1.00 0.00 H new ATOM 0 H3' A A 7 3.727 -5.700 2.494 1.00 0.00 H new ATOM 0 H2' A A 7 4.094 -5.817 4.942 1.00 0.00 H new ATOM 0 HO2' A A 7 3.327 -7.864 5.282 1.00 0.00 H new ATOM 0 H1' A A 7 6.622 -6.784 4.889 1.00 0.00 H new ATOM 0 H8 A A 7 6.213 -4.638 1.815 1.00 0.00 H new ATOM 0 H61 A A 7 7.888 0.104 5.357 1.00 0.00 H new ATOM 0 H62 A A 7 7.551 -0.424 3.705 1.00 0.00 H new ATOM 0 H2 A A 7 7.254 -3.467 7.999 1.00 0.00 H new ATOM 230 P A A 8 1.384 -6.900 3.478 1.00 0.00 P ATOM 231 OP1 A A 8 0.338 -7.920 3.242 1.00 0.00 O ATOM 232 OP2 A A 8 1.210 -5.529 2.946 1.00 0.00 O ATOM 233 O5' A A 8 1.641 -6.802 5.068 1.00 0.00 O ATOM 234 C5' A A 8 1.048 -5.749 5.836 1.00 0.00 C ATOM 235 C4' A A 8 1.686 -5.624 7.219 1.00 0.00 C ATOM 236 O4' A A 8 3.118 -5.513 7.126 1.00 0.00 O ATOM 237 C3' A A 8 1.207 -4.355 7.921 1.00 0.00 C ATOM 238 O3' A A 8 0.168 -4.698 8.846 1.00 0.00 O ATOM 239 C2' A A 8 2.429 -3.918 8.704 1.00 0.00 C ATOM 240 O2' A A 8 2.537 -4.611 9.954 1.00 0.00 O ATOM 241 C1' A A 8 3.545 -4.296 7.750 1.00 0.00 C ATOM 242 N9 A A 8 3.760 -3.237 6.749 1.00 0.00 N ATOM 243 C8 A A 8 3.462 -3.235 5.434 1.00 0.00 C ATOM 244 N7 A A 8 3.737 -2.171 4.758 1.00 0.00 N ATOM 245 C5 A A 8 4.291 -1.350 5.744 1.00 0.00 C ATOM 246 C6 A A 8 4.806 -0.050 5.717 1.00 0.00 C ATOM 247 N6 A A 8 4.854 0.690 4.612 1.00 0.00 N ATOM 248 N1 A A 8 5.271 0.457 6.870 1.00 0.00 N ATOM 249 C2 A A 8 5.234 -0.270 7.990 1.00 0.00 C ATOM 250 N3 A A 8 4.769 -1.508 8.130 1.00 0.00 N ATOM 251 C4 A A 8 4.309 -1.993 6.961 1.00 0.00 C ATOM 0 H5' A A 8 -0.020 -5.936 5.945 1.00 0.00 H new ATOM 0 H5'' A A 8 1.154 -4.805 5.301 1.00 0.00 H new ATOM 0 H4' A A 8 1.400 -6.519 7.771 1.00 0.00 H new ATOM 0 H3' A A 8 0.824 -3.596 7.239 1.00 0.00 H new ATOM 0 H2' A A 8 2.424 -2.865 8.986 1.00 0.00 H new ATOM 0 HO2' A A 8 1.680 -5.036 10.167 1.00 0.00 H new ATOM 0 H1' A A 8 4.495 -4.423 8.270 1.00 0.00 H new ATOM 0 H8 A A 8 3.009 -4.095 4.963 1.00 0.00 H new ATOM 0 H61 A A 8 5.240 1.634 4.646 1.00 0.00 H new ATOM 0 H62 A A 8 4.505 0.314 3.731 1.00 0.00 H new ATOM 0 H2 A A 8 5.625 0.200 8.880 1.00 0.00 H new ATOM 263 P G A 9 -1.378 -4.377 8.509 1.00 0.00 P ATOM 264 OP1 G A 9 -2.197 -4.777 9.676 1.00 0.00 O ATOM 265 OP2 G A 9 -1.683 -4.930 7.170 1.00 0.00 O ATOM 266 O5' G A 9 -1.402 -2.765 8.406 1.00 0.00 O ATOM 267 C5' G A 9 -0.807 -1.955 9.429 1.00 0.00 C ATOM 268 C4' G A 9 0.129 -0.894 8.846 1.00 0.00 C ATOM 269 O4' G A 9 1.049 -1.462 7.902 1.00 0.00 O ATOM 270 C3' G A 9 -0.637 0.158 8.059 1.00 0.00 C ATOM 271 O3' G A 9 -1.060 1.198 8.951 1.00 0.00 O ATOM 272 C2' G A 9 0.449 0.705 7.156 1.00 0.00 C ATOM 273 O2' G A 9 1.304 1.618 7.853 1.00 0.00 O ATOM 274 C1' G A 9 1.188 -0.571 6.778 1.00 0.00 C ATOM 275 N9 G A 9 0.625 -1.162 5.548 1.00 0.00 N ATOM 276 C8 G A 9 -0.239 -2.196 5.399 1.00 0.00 C ATOM 277 N7 G A 9 -0.579 -2.524 4.197 1.00 0.00 N ATOM 278 C5 G A 9 0.141 -1.597 3.435 1.00 0.00 C ATOM 279 C6 G A 9 0.201 -1.425 2.027 1.00 0.00 C ATOM 280 O6 G A 9 -0.373 -2.069 1.153 1.00 0.00 O ATOM 281 N1 G A 9 1.041 -0.379 1.677 1.00 0.00 N ATOM 282 C2 G A 9 1.742 0.407 2.565 1.00 0.00 C ATOM 283 N2 G A 9 2.490 1.368 2.036 1.00 0.00 N ATOM 284 N3 G A 9 1.694 0.255 3.889 1.00 0.00 N ATOM 285 C4 G A 9 0.879 -0.759 4.257 1.00 0.00 C ATOM 0 H5' G A 9 -0.250 -2.591 10.117 1.00 0.00 H new ATOM 0 H5'' G A 9 -1.591 -1.468 10.008 1.00 0.00 H new ATOM 0 H4' G A 9 0.643 -0.464 9.706 1.00 0.00 H new ATOM 0 H3' G A 9 -1.519 -0.218 7.541 1.00 0.00 H new ATOM 0 H2' G A 9 0.077 1.277 6.306 1.00 0.00 H new ATOM 0 HO2' G A 9 0.934 1.799 8.742 1.00 0.00 H new ATOM 0 H1' G A 9 2.239 -0.374 6.565 1.00 0.00 H new ATOM 0 H8 G A 9 -0.629 -2.727 6.255 1.00 0.00 H new ATOM 0 H1 G A 9 1.148 -0.175 0.683 1.00 0.00 H new ATOM 0 H21 G A 9 3.033 1.983 2.642 1.00 0.00 H new ATOM 0 H22 G A 9 2.522 1.491 1.024 1.00 0.00 H new ATOM 297 P C A 10 -2.144 2.296 8.481 1.00 0.00 P ATOM 298 OP1 C A 10 -2.438 3.180 9.632 1.00 0.00 O ATOM 299 OP2 C A 10 -3.248 1.591 7.791 1.00 0.00 O ATOM 300 O5' C A 10 -1.332 3.152 7.380 1.00 0.00 O ATOM 301 C5' C A 10 -0.488 4.241 7.773 1.00 0.00 C ATOM 302 C4' C A 10 -0.050 5.086 6.577 1.00 0.00 C ATOM 303 O4' C A 10 0.714 4.320 5.627 1.00 0.00 O ATOM 304 C3' C A 10 -1.247 5.604 5.791 1.00 0.00 C ATOM 305 O3' C A 10 -1.681 6.850 6.348 1.00 0.00 O ATOM 306 C2' C A 10 -0.610 5.866 4.445 1.00 0.00 C ATOM 307 O2' C A 10 0.190 7.055 4.467 1.00 0.00 O ATOM 308 C1' C A 10 0.248 4.622 4.296 1.00 0.00 C ATOM 309 N1 C A 10 -0.515 3.485 3.729 1.00 0.00 N ATOM 310 C2 C A 10 -0.522 3.336 2.347 1.00 0.00 C ATOM 311 O2 C A 10 0.056 4.151 1.630 1.00 0.00 O ATOM 312 N3 C A 10 -1.187 2.274 1.815 1.00 0.00 N ATOM 313 C4 C A 10 -1.818 1.396 2.602 1.00 0.00 C ATOM 314 N4 C A 10 -2.459 0.372 2.047 1.00 0.00 N ATOM 315 C5 C A 10 -1.816 1.544 4.024 1.00 0.00 C ATOM 316 C6 C A 10 -1.158 2.596 4.542 1.00 0.00 C ATOM 0 H5' C A 10 0.393 3.851 8.284 1.00 0.00 H new ATOM 0 H5'' C A 10 -1.018 4.871 8.487 1.00 0.00 H new ATOM 0 H4' C A 10 0.540 5.896 7.005 1.00 0.00 H new ATOM 0 H3' C A 10 -2.107 4.935 5.777 1.00 0.00 H new ATOM 0 H2' C A 10 -1.317 6.030 3.632 1.00 0.00 H new ATOM 0 HO2' C A 10 0.039 7.535 5.308 1.00 0.00 H new ATOM 0 H1' C A 10 1.071 4.793 3.602 1.00 0.00 H new ATOM 0 H41 C A 10 -2.944 -0.305 2.635 1.00 0.00 H new ATOM 0 H42 C A 10 -2.465 0.264 1.033 1.00 0.00 H new ATOM 0 H5 C A 10 -2.325 0.835 4.660 1.00 0.00 H new ATOM 0 H6 C A 10 -1.138 2.739 5.612 1.00 0.00 H new ATOM 328 P C A 11 -3.169 7.398 6.053 1.00 0.00 P ATOM 329 OP1 C A 11 -3.269 8.776 6.582 1.00 0.00 O ATOM 330 OP2 C A 11 -4.137 6.367 6.488 1.00 0.00 O ATOM 331 O5' C A 11 -3.202 7.470 4.441 1.00 0.00 O ATOM 332 C5' C A 11 -2.430 8.450 3.740 1.00 0.00 C ATOM 333 C4' C A 11 -2.360 8.165 2.239 1.00 0.00 C ATOM 334 O4' C A 11 -1.836 6.861 1.959 1.00 0.00 O ATOM 335 C3' C A 11 -3.735 8.159 1.602 1.00 0.00 C ATOM 336 O3' C A 11 -4.116 9.509 1.304 1.00 0.00 O ATOM 337 C2' C A 11 -3.442 7.434 0.304 1.00 0.00 C ATOM 338 O2' C A 11 -2.816 8.304 -0.647 1.00 0.00 O ATOM 339 C1' C A 11 -2.481 6.343 0.777 1.00 0.00 C ATOM 340 N1 C A 11 -3.184 5.066 1.056 1.00 0.00 N ATOM 341 C2 C A 11 -3.588 4.304 -0.033 1.00 0.00 C ATOM 342 O2 C A 11 -3.372 4.696 -1.175 1.00 0.00 O ATOM 343 N3 C A 11 -4.220 3.122 0.203 1.00 0.00 N ATOM 344 C4 C A 11 -4.450 2.703 1.452 1.00 0.00 C ATOM 345 N4 C A 11 -5.077 1.544 1.643 1.00 0.00 N ATOM 346 C5 C A 11 -4.038 3.482 2.578 1.00 0.00 C ATOM 347 C6 C A 11 -3.410 4.649 2.337 1.00 0.00 C ATOM 0 H5' C A 11 -1.421 8.476 4.150 1.00 0.00 H new ATOM 0 H5'' C A 11 -2.865 9.436 3.901 1.00 0.00 H new ATOM 0 H4' C A 11 -1.722 8.955 1.842 1.00 0.00 H new ATOM 0 H3' C A 11 -4.524 7.718 2.211 1.00 0.00 H new ATOM 0 H2' C A 11 -4.328 7.056 -0.206 1.00 0.00 H new ATOM 0 HO2' C A 11 -2.890 9.232 -0.340 1.00 0.00 H new ATOM 0 H1' C A 11 -1.753 6.107 0.001 1.00 0.00 H new ATOM 0 H41 C A 11 -5.259 1.213 2.590 1.00 0.00 H new ATOM 0 H42 C A 11 -5.375 0.988 0.842 1.00 0.00 H new ATOM 0 H5 C A 11 -4.224 3.146 3.587 1.00 0.00 H new ATOM 0 H6 C A 11 -3.082 5.261 3.164 1.00 0.00 H new ATOM 359 P U A 12 -5.671 9.937 1.273 1.00 0.00 P ATOM 360 OP1 U A 12 -5.752 11.359 0.872 1.00 0.00 O ATOM 361 OP2 U A 12 -6.301 9.487 2.533 1.00 0.00 O ATOM 362 O5' U A 12 -6.255 9.037 0.069 1.00 0.00 O ATOM 363 C5' U A 12 -5.824 9.253 -1.279 1.00 0.00 C ATOM 364 C4' U A 12 -6.123 8.047 -2.165 1.00 0.00 C ATOM 365 O4' U A 12 -5.502 6.857 -1.678 1.00 0.00 O ATOM 366 C3' U A 12 -7.603 7.722 -2.179 1.00 0.00 C ATOM 367 O3' U A 12 -8.339 8.599 -3.043 1.00 0.00 O ATOM 368 C2' U A 12 -7.572 6.303 -2.707 1.00 0.00 C ATOM 369 O2' U A 12 -7.426 6.276 -4.132 1.00 0.00 O ATOM 370 C1' U A 12 -6.334 5.730 -2.008 1.00 0.00 C ATOM 371 N1 U A 12 -6.711 4.961 -0.800 1.00 0.00 N ATOM 372 C2 U A 12 -7.377 3.764 -0.993 1.00 0.00 C ATOM 373 O2 U A 12 -7.639 3.336 -2.114 1.00 0.00 O ATOM 374 N3 U A 12 -7.731 3.074 0.146 1.00 0.00 N ATOM 375 C4 U A 12 -7.486 3.465 1.446 1.00 0.00 C ATOM 376 O4 U A 12 -7.850 2.765 2.386 1.00 0.00 O ATOM 377 C5 U A 12 -6.786 4.723 1.561 1.00 0.00 C ATOM 378 C6 U A 12 -6.422 5.421 0.459 1.00 0.00 C ATOM 0 H5' U A 12 -4.753 9.457 -1.291 1.00 0.00 H new ATOM 0 H5'' U A 12 -6.321 10.135 -1.684 1.00 0.00 H new ATOM 0 H4' U A 12 -5.749 8.325 -3.150 1.00 0.00 H new ATOM 0 H3' U A 12 -8.099 7.836 -1.215 1.00 0.00 H new ATOM 0 H2' U A 12 -8.487 5.743 -2.512 1.00 0.00 H new ATOM 0 HO2' U A 12 -7.753 7.119 -4.510 1.00 0.00 H new ATOM 0 HO3' U A 12 -9.288 8.355 -3.025 1.00 0.00 H new ATOM 0 H1' U A 12 -5.803 5.031 -2.654 1.00 0.00 H new ATOM 0 H3 U A 12 -8.221 2.189 0.015 1.00 0.00 H new ATOM 0 H5 U A 12 -6.549 5.113 2.540 1.00 0.00 H new ATOM 0 H6 U A 12 -5.895 6.357 0.574 1.00 0.00 H new TER 390 U A 12