USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 174 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 180:sc= 0 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot -21:sc= 0.0108 USER MOD Single : A 3 G O2' : rot -19:sc= 0.0192 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -23:sc= 0.0408 USER MOD Single : A 6 C O2' : rot -20:sc= 0.059 USER MOD Single : A 7 A O2' : rot 29:sc= 0.0294 USER MOD Single : A 8 U O2' : rot 25:sc= 0.0594 USER MOD Single : A 9 A O2' : rot -9:sc= 0.477 USER MOD Single : A 10 G O2' : rot 16:sc= 0.0726 USER MOD Single : A 11 A O2' : rot -18:sc= 0.054 USER MOD Single : A 12 U O2' : rot -26:sc= 0.0198 USER MOD Single : A 13 C O2' : rot -26:sc= 0.0288 USER MOD Single : A 14 U O2' : rot -18:sc= 0.00831 USER MOD Single : A 15 U O2' : rot 180:sc=-0.00127 USER MOD Single : A 16 C O2' : rot -18:sc= 0.0179 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0172 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -11.853 -0.831 7.807 1.00 0.00 O ATOM 2 C5' G A 1 -11.736 -2.198 7.469 1.00 0.00 C ATOM 3 C4' G A 1 -10.832 -2.947 8.460 1.00 0.00 C ATOM 4 O4' G A 1 -10.806 -4.336 8.149 1.00 0.00 O ATOM 5 C3' G A 1 -9.364 -2.491 8.445 1.00 0.00 C ATOM 6 O3' G A 1 -9.144 -1.322 9.229 1.00 0.00 O ATOM 7 C2' G A 1 -8.665 -3.752 8.965 1.00 0.00 C ATOM 8 O2' G A 1 -8.752 -3.912 10.371 1.00 0.00 O ATOM 9 C1' G A 1 -9.477 -4.842 8.261 1.00 0.00 C ATOM 10 N9 G A 1 -8.920 -5.177 6.918 1.00 0.00 N ATOM 11 C8 G A 1 -9.376 -4.806 5.673 1.00 0.00 C ATOM 12 N7 G A 1 -8.678 -5.274 4.678 1.00 0.00 N ATOM 13 C5 G A 1 -7.677 -6.020 5.288 1.00 0.00 C ATOM 14 C6 G A 1 -6.602 -6.777 4.701 1.00 0.00 C ATOM 15 O6 G A 1 -6.343 -6.919 3.508 1.00 0.00 O ATOM 16 N1 G A 1 -5.784 -7.401 5.656 1.00 0.00 N ATOM 17 C2 G A 1 -5.988 -7.302 7.032 1.00 0.00 C ATOM 18 N2 G A 1 -5.115 -7.955 7.812 1.00 0.00 N ATOM 19 N3 G A 1 -7.002 -6.589 7.581 1.00 0.00 N ATOM 20 C4 G A 1 -7.817 -5.969 6.664 1.00 0.00 C ATOM 0 H5' G A 1 -11.330 -2.291 6.462 1.00 0.00 H new ATOM 0 H5'' G A 1 -12.725 -2.657 7.458 1.00 0.00 H new ATOM 0 H4' G A 1 -11.263 -2.733 9.438 1.00 0.00 H new ATOM 0 H3' G A 1 -8.992 -2.168 7.473 1.00 0.00 H new ATOM 0 H2' G A 1 -7.593 -3.750 8.768 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.288 -4.734 10.636 1.00 0.00 H new ATOM 0 HO5' G A 1 -12.433 -0.382 7.157 1.00 0.00 H new ATOM 0 H1' G A 1 -9.446 -5.770 8.832 1.00 0.00 H new ATOM 0 H8 G A 1 -10.243 -4.177 5.533 1.00 0.00 H new ATOM 0 H1 G A 1 -4.996 -7.958 5.325 1.00 0.00 H new ATOM 0 H21 G A 1 -5.212 -7.920 8.827 1.00 0.00 H new ATOM 0 H22 G A 1 -4.353 -8.487 7.391 1.00 0.00 H new ATOM 33 P A A 2 -7.898 -0.314 8.966 1.00 0.00 P ATOM 34 OP1 A A 2 -8.014 0.813 9.921 1.00 0.00 O ATOM 35 OP2 A A 2 -7.819 -0.028 7.515 1.00 0.00 O ATOM 36 O5' A A 2 -6.599 -1.195 9.365 1.00 0.00 O ATOM 37 C5' A A 2 -6.301 -1.554 10.705 1.00 0.00 C ATOM 38 C4' A A 2 -5.145 -2.563 10.771 1.00 0.00 C ATOM 39 O4' A A 2 -5.437 -3.763 10.065 1.00 0.00 O ATOM 40 C3' A A 2 -3.834 -2.047 10.170 1.00 0.00 C ATOM 41 O3' A A 2 -3.174 -1.131 11.036 1.00 0.00 O ATOM 42 C2' A A 2 -3.099 -3.369 9.925 1.00 0.00 C ATOM 43 O2' A A 2 -2.521 -3.922 11.097 1.00 0.00 O ATOM 44 C1' A A 2 -4.256 -4.252 9.432 1.00 0.00 C ATOM 45 N9 A A 2 -4.391 -4.219 7.945 1.00 0.00 N ATOM 46 C8 A A 2 -5.328 -3.576 7.165 1.00 0.00 C ATOM 47 N7 A A 2 -5.187 -3.755 5.883 1.00 0.00 N ATOM 48 C5 A A 2 -4.074 -4.582 5.782 1.00 0.00 C ATOM 49 C6 A A 2 -3.386 -5.161 4.676 1.00 0.00 C ATOM 50 N6 A A 2 -3.756 -4.965 3.401 1.00 0.00 N ATOM 51 N1 A A 2 -2.302 -5.946 4.922 1.00 0.00 N ATOM 52 C2 A A 2 -1.923 -6.146 6.193 1.00 0.00 C ATOM 53 N3 A A 2 -2.488 -5.664 7.311 1.00 0.00 N ATOM 54 C4 A A 2 -3.580 -4.874 7.042 1.00 0.00 C ATOM 0 H5' A A 2 -7.187 -1.982 11.174 1.00 0.00 H new ATOM 0 H5'' A A 2 -6.040 -0.661 11.273 1.00 0.00 H new ATOM 0 H4' A A 2 -5.028 -2.736 11.841 1.00 0.00 H new ATOM 0 H3' A A 2 -3.928 -1.448 9.264 1.00 0.00 H new ATOM 0 H2' A A 2 -2.254 -3.265 9.244 1.00 0.00 H new ATOM 0 HO2' A A 2 -2.402 -3.217 11.767 1.00 0.00 H new ATOM 0 H1' A A 2 -4.072 -5.295 9.689 1.00 0.00 H new ATOM 0 H8 A A 2 -6.118 -2.971 7.585 1.00 0.00 H new ATOM 0 H61 A A 2 -3.230 -5.402 2.644 1.00 0.00 H new ATOM 0 H62 A A 2 -4.563 -4.379 3.189 1.00 0.00 H new ATOM 0 H2 A A 2 -1.055 -6.773 6.334 1.00 0.00 H new ATOM 66 P G A 3 -2.187 0.034 10.487 1.00 0.00 P ATOM 67 OP1 G A 3 -1.751 0.846 11.646 1.00 0.00 O ATOM 68 OP2 G A 3 -2.838 0.702 9.337 1.00 0.00 O ATOM 69 O5' G A 3 -0.916 -0.792 9.925 1.00 0.00 O ATOM 70 C5' G A 3 -0.010 -1.467 10.784 1.00 0.00 C ATOM 71 C4' G A 3 1.024 -2.271 9.984 1.00 0.00 C ATOM 72 O4' G A 3 0.414 -3.285 9.198 1.00 0.00 O ATOM 73 C3' G A 3 1.840 -1.428 8.998 1.00 0.00 C ATOM 74 O3' G A 3 2.838 -0.656 9.657 1.00 0.00 O ATOM 75 C2' G A 3 2.365 -2.524 8.067 1.00 0.00 C ATOM 76 O2' G A 3 3.487 -3.220 8.590 1.00 0.00 O ATOM 77 C1' G A 3 1.144 -3.452 7.985 1.00 0.00 C ATOM 78 N9 G A 3 0.279 -3.166 6.803 1.00 0.00 N ATOM 79 C8 G A 3 -0.972 -2.593 6.750 1.00 0.00 C ATOM 80 N7 G A 3 -1.484 -2.511 5.556 1.00 0.00 N ATOM 81 C5 G A 3 -0.514 -3.074 4.735 1.00 0.00 C ATOM 82 C6 G A 3 -0.507 -3.265 3.306 1.00 0.00 C ATOM 83 O6 G A 3 -1.384 -2.968 2.499 1.00 0.00 O ATOM 84 N1 G A 3 0.675 -3.860 2.840 1.00 0.00 N ATOM 85 C2 G A 3 1.732 -4.236 3.668 1.00 0.00 C ATOM 86 N2 G A 3 2.793 -4.795 3.073 1.00 0.00 N ATOM 87 N3 G A 3 1.717 -4.064 5.012 1.00 0.00 N ATOM 88 C4 G A 3 0.572 -3.478 5.492 1.00 0.00 C ATOM 0 H5' G A 3 -0.562 -2.136 11.445 1.00 0.00 H new ATOM 0 H5'' G A 3 0.501 -0.743 11.418 1.00 0.00 H new ATOM 0 H4' G A 3 1.676 -2.682 10.755 1.00 0.00 H new ATOM 0 H3' G A 3 1.291 -0.652 8.464 1.00 0.00 H new ATOM 0 H2' G A 3 2.724 -2.134 7.115 1.00 0.00 H new ATOM 0 HO2' G A 3 3.899 -2.688 9.302 1.00 0.00 H new ATOM 0 H1' G A 3 1.479 -4.482 7.858 1.00 0.00 H new ATOM 0 H8 G A 3 -1.488 -2.239 7.630 1.00 0.00 H new ATOM 0 H1 G A 3 0.766 -4.027 1.838 1.00 0.00 H new ATOM 0 H21 G A 3 3.595 -5.089 3.631 1.00 0.00 H new ATOM 0 H22 G A 3 2.800 -4.927 2.062 1.00 0.00 H new ATOM 100 P G A 4 3.323 0.793 9.112 1.00 0.00 P ATOM 101 OP1 G A 4 4.329 1.326 10.059 1.00 0.00 O ATOM 102 OP2 G A 4 2.123 1.604 8.796 1.00 0.00 O ATOM 103 O5' G A 4 4.059 0.437 7.717 1.00 0.00 O ATOM 104 C5' G A 4 5.314 -0.225 7.664 1.00 0.00 C ATOM 105 C4' G A 4 5.654 -0.663 6.232 1.00 0.00 C ATOM 106 O4' G A 4 4.719 -1.618 5.746 1.00 0.00 O ATOM 107 C3' G A 4 5.655 0.471 5.198 1.00 0.00 C ATOM 108 O3' G A 4 6.825 1.279 5.254 1.00 0.00 O ATOM 109 C2' G A 4 5.488 -0.335 3.908 1.00 0.00 C ATOM 110 O2' G A 4 6.682 -0.960 3.463 1.00 0.00 O ATOM 111 C1' G A 4 4.474 -1.393 4.361 1.00 0.00 C ATOM 112 N9 G A 4 3.072 -0.943 4.119 1.00 0.00 N ATOM 113 C8 G A 4 2.121 -0.496 5.009 1.00 0.00 C ATOM 114 N7 G A 4 0.980 -0.176 4.469 1.00 0.00 N ATOM 115 C5 G A 4 1.167 -0.429 3.117 1.00 0.00 C ATOM 116 C6 G A 4 0.257 -0.273 2.013 1.00 0.00 C ATOM 117 O6 G A 4 -0.905 0.125 2.043 1.00 0.00 O ATOM 118 N1 G A 4 0.824 -0.637 0.781 1.00 0.00 N ATOM 119 C2 G A 4 2.131 -1.097 0.633 1.00 0.00 C ATOM 120 N2 G A 4 2.534 -1.388 -0.611 1.00 0.00 N ATOM 121 N3 G A 4 2.982 -1.248 1.676 1.00 0.00 N ATOM 122 C4 G A 4 2.448 -0.901 2.892 1.00 0.00 C ATOM 0 H5' G A 4 5.296 -1.096 8.318 1.00 0.00 H new ATOM 0 H5'' G A 4 6.094 0.438 8.038 1.00 0.00 H new ATOM 0 H4' G A 4 6.662 -1.068 6.327 1.00 0.00 H new ATOM 0 H3' G A 4 4.883 1.227 5.339 1.00 0.00 H new ATOM 0 H2' G A 4 5.191 0.284 3.062 1.00 0.00 H new ATOM 0 HO2' G A 4 6.503 -1.457 2.638 1.00 0.00 H new ATOM 0 H1' G A 4 4.592 -2.315 3.791 1.00 0.00 H new ATOM 0 H8 G A 4 2.307 -0.417 6.070 1.00 0.00 H new ATOM 0 H1 G A 4 0.245 -0.560 -0.055 1.00 0.00 H new ATOM 0 H21 G A 4 3.482 -1.728 -0.774 1.00 0.00 H new ATOM 0 H22 G A 4 1.893 -1.269 -1.396 1.00 0.00 H new ATOM 134 P A A 5 6.845 2.816 4.725 1.00 0.00 P ATOM 135 OP1 A A 5 8.192 3.372 4.984 1.00 0.00 O ATOM 136 OP2 A A 5 5.657 3.513 5.269 1.00 0.00 O ATOM 137 O5' A A 5 6.643 2.680 3.124 1.00 0.00 O ATOM 138 C5' A A 5 7.633 2.120 2.273 1.00 0.00 C ATOM 139 C4' A A 5 7.098 1.928 0.845 1.00 0.00 C ATOM 140 O4' A A 5 5.936 1.112 0.822 1.00 0.00 O ATOM 141 C3' A A 5 6.708 3.241 0.159 1.00 0.00 C ATOM 142 O3' A A 5 7.859 3.907 -0.356 1.00 0.00 O ATOM 143 C2' A A 5 5.723 2.738 -0.901 1.00 0.00 C ATOM 144 O2' A A 5 6.357 2.280 -2.085 1.00 0.00 O ATOM 145 C1' A A 5 5.035 1.568 -0.182 1.00 0.00 C ATOM 146 N9 A A 5 3.729 1.969 0.421 1.00 0.00 N ATOM 147 C8 A A 5 3.403 2.144 1.747 1.00 0.00 C ATOM 148 N7 A A 5 2.160 2.471 1.962 1.00 0.00 N ATOM 149 C5 A A 5 1.601 2.522 0.691 1.00 0.00 C ATOM 150 C6 A A 5 0.289 2.813 0.212 1.00 0.00 C ATOM 151 N6 A A 5 -0.728 3.127 1.026 1.00 0.00 N ATOM 152 N1 A A 5 0.053 2.778 -1.127 1.00 0.00 N ATOM 153 C2 A A 5 1.068 2.468 -1.946 1.00 0.00 C ATOM 154 N3 A A 5 2.339 2.172 -1.620 1.00 0.00 N ATOM 155 C4 A A 5 2.554 2.215 -0.263 1.00 0.00 C ATOM 0 H5' A A 5 7.959 1.160 2.674 1.00 0.00 H new ATOM 0 H5'' A A 5 8.507 2.770 2.252 1.00 0.00 H new ATOM 0 H4' A A 5 7.927 1.462 0.313 1.00 0.00 H new ATOM 0 H3' A A 5 6.264 4.002 0.800 1.00 0.00 H new ATOM 0 H2' A A 5 5.053 3.528 -1.241 1.00 0.00 H new ATOM 0 HO2' A A 5 7.239 2.700 -2.167 1.00 0.00 H new ATOM 0 H1' A A 5 4.805 0.777 -0.896 1.00 0.00 H new ATOM 0 H8 A A 5 4.120 2.020 2.545 1.00 0.00 H new ATOM 0 H61 A A 5 -1.649 3.327 0.637 1.00 0.00 H new ATOM 0 H62 A A 5 -0.581 3.166 2.035 1.00 0.00 H new ATOM 0 H2 A A 5 0.836 2.454 -3.001 1.00 0.00 H new ATOM 167 P C A 6 8.227 5.452 -0.011 1.00 0.00 P ATOM 168 OP1 C A 6 9.598 5.716 -0.502 1.00 0.00 O ATOM 169 OP2 C A 6 7.902 5.709 1.410 1.00 0.00 O ATOM 170 O5' C A 6 7.182 6.283 -0.929 1.00 0.00 O ATOM 171 C5' C A 6 7.243 6.274 -2.351 1.00 0.00 C ATOM 172 C4' C A 6 5.855 6.506 -2.968 1.00 0.00 C ATOM 173 O4' C A 6 4.949 5.525 -2.494 1.00 0.00 O ATOM 174 C3' C A 6 5.216 7.859 -2.638 1.00 0.00 C ATOM 175 O3' C A 6 5.698 8.903 -3.479 1.00 0.00 O ATOM 176 C2' C A 6 3.730 7.537 -2.827 1.00 0.00 C ATOM 177 O2' C A 6 3.294 7.659 -4.172 1.00 0.00 O ATOM 178 C1' C A 6 3.641 6.067 -2.382 1.00 0.00 C ATOM 179 N1 C A 6 3.055 5.943 -1.001 1.00 0.00 N ATOM 180 C2 C A 6 1.651 6.050 -0.861 1.00 0.00 C ATOM 181 O2 C A 6 0.917 6.232 -1.831 1.00 0.00 O ATOM 182 N3 C A 6 1.101 5.953 0.392 1.00 0.00 N ATOM 183 C4 C A 6 1.861 5.758 1.488 1.00 0.00 C ATOM 184 N4 C A 6 1.256 5.667 2.680 1.00 0.00 N ATOM 185 C5 C A 6 3.299 5.635 1.374 1.00 0.00 C ATOM 186 C6 C A 6 3.841 5.736 0.127 1.00 0.00 C ATOM 0 H5' C A 6 7.642 5.319 -2.695 1.00 0.00 H new ATOM 0 H5'' C A 6 7.930 7.048 -2.693 1.00 0.00 H new ATOM 0 H4' C A 6 6.028 6.461 -4.043 1.00 0.00 H new ATOM 0 H3' C A 6 5.445 8.244 -1.645 1.00 0.00 H new ATOM 0 H2' C A 6 3.098 8.226 -2.268 1.00 0.00 H new ATOM 0 HO2' C A 6 3.924 8.220 -4.671 1.00 0.00 H new ATOM 0 H1' C A 6 2.960 5.499 -3.016 1.00 0.00 H new ATOM 0 H41 C A 6 1.810 5.519 3.523 1.00 0.00 H new ATOM 0 H42 C A 6 0.241 5.745 2.744 1.00 0.00 H new ATOM 0 H5 C A 6 3.918 5.470 2.243 1.00 0.00 H new ATOM 0 H6 C A 6 4.912 5.653 0.012 1.00 0.00 H new ATOM 198 P A A 7 6.257 10.317 -2.907 1.00 0.00 P ATOM 199 OP1 A A 7 6.372 11.255 -4.046 1.00 0.00 O ATOM 200 OP2 A A 7 7.449 10.031 -2.076 1.00 0.00 O ATOM 201 O5' A A 7 5.090 10.855 -1.921 1.00 0.00 O ATOM 202 C5' A A 7 3.769 11.125 -2.370 1.00 0.00 C ATOM 203 C4' A A 7 2.777 11.185 -1.195 1.00 0.00 C ATOM 204 O4' A A 7 2.916 10.021 -0.386 1.00 0.00 O ATOM 205 C3' A A 7 2.958 12.404 -0.276 1.00 0.00 C ATOM 206 O3' A A 7 1.673 12.877 0.113 1.00 0.00 O ATOM 207 C2' A A 7 3.744 11.804 0.892 1.00 0.00 C ATOM 208 O2' A A 7 3.615 12.511 2.110 1.00 0.00 O ATOM 209 C1' A A 7 3.188 10.381 0.960 1.00 0.00 C ATOM 210 N9 A A 7 4.178 9.433 1.545 1.00 0.00 N ATOM 211 C8 A A 7 5.385 9.042 1.013 1.00 0.00 C ATOM 212 N7 A A 7 6.056 8.196 1.739 1.00 0.00 N ATOM 213 C5 A A 7 5.246 7.997 2.850 1.00 0.00 C ATOM 214 C6 A A 7 5.381 7.193 4.021 1.00 0.00 C ATOM 215 N6 A A 7 6.446 6.414 4.258 1.00 0.00 N ATOM 216 N1 A A 7 4.383 7.211 4.946 1.00 0.00 N ATOM 217 C2 A A 7 3.315 7.992 4.721 1.00 0.00 C ATOM 218 N3 A A 7 3.078 8.791 3.669 1.00 0.00 N ATOM 219 C4 A A 7 4.091 8.752 2.742 1.00 0.00 C ATOM 0 H5' A A 7 3.457 10.352 -3.072 1.00 0.00 H new ATOM 0 H5'' A A 7 3.753 12.072 -2.910 1.00 0.00 H new ATOM 0 H4' A A 7 1.792 11.257 -1.656 1.00 0.00 H new ATOM 0 H3' A A 7 3.467 13.261 -0.717 1.00 0.00 H new ATOM 0 H2' A A 7 4.822 11.847 0.733 1.00 0.00 H new ATOM 0 HO2' A A 7 2.742 12.955 2.140 1.00 0.00 H new ATOM 0 H1' A A 7 2.303 10.338 1.595 1.00 0.00 H new ATOM 0 H8 A A 7 5.748 9.409 0.065 1.00 0.00 H new ATOM 0 H61 A A 7 6.492 5.859 5.112 1.00 0.00 H new ATOM 0 H62 A A 7 7.211 6.377 3.584 1.00 0.00 H new ATOM 0 H2 A A 7 2.550 7.975 5.483 1.00 0.00 H new ATOM 231 P U A 8 1.218 14.418 -0.078 1.00 0.00 P ATOM 232 OP1 U A 8 1.256 14.755 -1.520 1.00 0.00 O ATOM 233 OP2 U A 8 1.969 15.245 0.893 1.00 0.00 O ATOM 234 O5' U A 8 -0.321 14.356 0.408 1.00 0.00 O ATOM 235 C5' U A 8 -1.340 13.706 -0.342 1.00 0.00 C ATOM 236 C4' U A 8 -2.466 13.210 0.578 1.00 0.00 C ATOM 237 O4' U A 8 -1.929 12.215 1.431 1.00 0.00 O ATOM 238 C3' U A 8 -3.093 14.301 1.480 1.00 0.00 C ATOM 239 O3' U A 8 -4.516 14.179 1.578 1.00 0.00 O ATOM 240 C2' U A 8 -2.404 14.018 2.824 1.00 0.00 C ATOM 241 O2' U A 8 -3.109 14.475 3.963 1.00 0.00 O ATOM 242 C1' U A 8 -2.280 12.498 2.772 1.00 0.00 C ATOM 243 N1 U A 8 -1.278 11.935 3.733 1.00 0.00 N ATOM 244 C2 U A 8 -1.741 11.271 4.891 1.00 0.00 C ATOM 245 O2 U A 8 -2.934 11.139 5.170 1.00 0.00 O ATOM 246 N3 U A 8 -0.766 10.745 5.746 1.00 0.00 N ATOM 247 C4 U A 8 0.617 10.825 5.547 1.00 0.00 C ATOM 248 O4 U A 8 1.391 10.331 6.364 1.00 0.00 O ATOM 249 C5 U A 8 1.010 11.523 4.328 1.00 0.00 C ATOM 250 C6 U A 8 0.083 12.043 3.478 1.00 0.00 C ATOM 0 H5' U A 8 -0.914 12.864 -0.888 1.00 0.00 H new ATOM 0 H5'' U A 8 -1.747 14.394 -1.083 1.00 0.00 H new ATOM 0 H4' U A 8 -3.257 12.846 -0.078 1.00 0.00 H new ATOM 0 H3' U A 8 -2.947 15.314 1.105 1.00 0.00 H new ATOM 0 H2' U A 8 -1.460 14.551 2.937 1.00 0.00 H new ATOM 0 HO2' U A 8 -4.064 14.539 3.753 1.00 0.00 H new ATOM 0 H1' U A 8 -3.215 12.028 3.077 1.00 0.00 H new ATOM 0 H3 U A 8 -1.090 10.263 6.584 1.00 0.00 H new ATOM 0 H5 U A 8 2.059 11.629 4.095 1.00 0.00 H new ATOM 0 H6 U A 8 0.413 12.552 2.584 1.00 0.00 H new ATOM 261 P A A 9 -5.533 14.487 0.346 1.00 0.00 P ATOM 262 OP1 A A 9 -4.860 15.376 -0.631 1.00 0.00 O ATOM 263 OP2 A A 9 -6.841 14.880 0.917 1.00 0.00 O ATOM 264 O5' A A 9 -5.688 13.007 -0.288 1.00 0.00 O ATOM 265 C5' A A 9 -5.910 12.775 -1.671 1.00 0.00 C ATOM 266 C4' A A 9 -5.803 11.276 -2.005 1.00 0.00 C ATOM 267 O4' A A 9 -4.570 10.784 -1.496 1.00 0.00 O ATOM 268 C3' A A 9 -6.929 10.408 -1.407 1.00 0.00 C ATOM 269 O3' A A 9 -7.321 9.434 -2.377 1.00 0.00 O ATOM 270 C2' A A 9 -6.237 9.806 -0.177 1.00 0.00 C ATOM 271 O2' A A 9 -6.783 8.595 0.301 1.00 0.00 O ATOM 272 C1' A A 9 -4.810 9.649 -0.685 1.00 0.00 C ATOM 273 N9 A A 9 -3.766 9.504 0.354 1.00 0.00 N ATOM 274 C8 A A 9 -3.821 9.457 1.729 1.00 0.00 C ATOM 275 N7 A A 9 -2.671 9.259 2.311 1.00 0.00 N ATOM 276 C5 A A 9 -1.778 9.168 1.251 1.00 0.00 C ATOM 277 C6 A A 9 -0.372 8.966 1.151 1.00 0.00 C ATOM 278 N6 A A 9 0.406 8.814 2.227 1.00 0.00 N ATOM 279 N1 A A 9 0.196 8.915 -0.085 1.00 0.00 N ATOM 280 C2 A A 9 -0.596 9.059 -1.160 1.00 0.00 C ATOM 281 N3 A A 9 -1.909 9.258 -1.195 1.00 0.00 N ATOM 282 C4 A A 9 -2.451 9.304 0.057 1.00 0.00 C ATOM 0 H5' A A 9 -5.182 13.335 -2.258 1.00 0.00 H new ATOM 0 H5'' A A 9 -6.897 13.144 -1.951 1.00 0.00 H new ATOM 0 H4' A A 9 -5.879 11.203 -3.090 1.00 0.00 H new ATOM 0 H3' A A 9 -7.849 10.927 -1.138 1.00 0.00 H new ATOM 0 H2' A A 9 -6.347 10.436 0.706 1.00 0.00 H new ATOM 0 HO2' A A 9 -7.625 8.409 -0.165 1.00 0.00 H new ATOM 0 H1' A A 9 -4.737 8.705 -1.226 1.00 0.00 H new ATOM 0 H8 A A 9 -4.742 9.575 2.281 1.00 0.00 H new ATOM 0 H61 A A 9 1.410 8.671 2.115 1.00 0.00 H new ATOM 0 H62 A A 9 -0.004 8.841 3.161 1.00 0.00 H new ATOM 0 H2 A A 9 -0.102 9.006 -2.119 1.00 0.00 H new ATOM 294 P G A 10 -8.874 9.071 -2.684 1.00 0.00 P ATOM 295 OP1 G A 10 -8.895 8.083 -3.788 1.00 0.00 O ATOM 296 OP2 G A 10 -9.636 10.332 -2.827 1.00 0.00 O ATOM 297 O5' G A 10 -9.312 8.375 -1.277 1.00 0.00 O ATOM 298 C5' G A 10 -9.832 7.057 -1.125 1.00 0.00 C ATOM 299 C4' G A 10 -8.899 5.934 -1.618 1.00 0.00 C ATOM 300 O4' G A 10 -7.567 6.190 -1.199 1.00 0.00 O ATOM 301 C3' G A 10 -9.306 4.548 -1.070 1.00 0.00 C ATOM 302 O3' G A 10 -9.421 3.578 -2.109 1.00 0.00 O ATOM 303 C2' G A 10 -8.167 4.243 -0.096 1.00 0.00 C ATOM 304 O2' G A 10 -7.902 2.867 0.105 1.00 0.00 O ATOM 305 C1' G A 10 -6.994 4.996 -0.724 1.00 0.00 C ATOM 306 N9 G A 10 -5.886 5.296 0.223 1.00 0.00 N ATOM 307 C8 G A 10 -5.936 5.458 1.588 1.00 0.00 C ATOM 308 N7 G A 10 -4.785 5.699 2.148 1.00 0.00 N ATOM 309 C5 G A 10 -3.889 5.712 1.084 1.00 0.00 C ATOM 310 C6 G A 10 -2.465 5.927 1.077 1.00 0.00 C ATOM 311 O6 G A 10 -1.728 6.138 2.038 1.00 0.00 O ATOM 312 N1 G A 10 -1.909 5.875 -0.212 1.00 0.00 N ATOM 313 C2 G A 10 -2.655 5.630 -1.365 1.00 0.00 C ATOM 314 N2 G A 10 -1.982 5.597 -2.521 1.00 0.00 N ATOM 315 N3 G A 10 -3.994 5.427 -1.352 1.00 0.00 N ATOM 316 C4 G A 10 -4.560 5.476 -0.104 1.00 0.00 C ATOM 0 H5' G A 10 -10.776 6.989 -1.665 1.00 0.00 H new ATOM 0 H5'' G A 10 -10.055 6.889 -0.071 1.00 0.00 H new ATOM 0 H4' G A 10 -8.977 5.921 -2.705 1.00 0.00 H new ATOM 0 H3' G A 10 -10.288 4.529 -0.597 1.00 0.00 H new ATOM 0 H2' G A 10 -8.402 4.557 0.921 1.00 0.00 H new ATOM 0 HO2' G A 10 -8.322 2.345 -0.610 1.00 0.00 H new ATOM 0 H1' G A 10 -6.525 4.388 -1.498 1.00 0.00 H new ATOM 0 H8 G A 10 -6.856 5.391 2.150 1.00 0.00 H new ATOM 0 H1 G A 10 -0.905 6.025 -0.310 1.00 0.00 H new ATOM 0 H21 G A 10 -2.478 5.422 -3.395 1.00 0.00 H new ATOM 0 H22 G A 10 -0.973 5.747 -2.528 1.00 0.00 H new ATOM 328 P A A 11 -10.707 3.484 -3.098 1.00 0.00 P ATOM 329 OP1 A A 11 -11.824 4.287 -2.547 1.00 0.00 O ATOM 330 OP2 A A 11 -10.923 2.057 -3.427 1.00 0.00 O ATOM 331 O5' A A 11 -10.143 4.225 -4.412 1.00 0.00 O ATOM 332 C5' A A 11 -10.963 4.502 -5.536 1.00 0.00 C ATOM 333 C4' A A 11 -10.108 4.937 -6.736 1.00 0.00 C ATOM 334 O4' A A 11 -9.435 6.146 -6.417 1.00 0.00 O ATOM 335 C3' A A 11 -8.999 3.950 -7.136 1.00 0.00 C ATOM 336 O3' A A 11 -9.413 2.853 -7.948 1.00 0.00 O ATOM 337 C2' A A 11 -8.003 4.873 -7.844 1.00 0.00 C ATOM 338 O2' A A 11 -8.316 5.093 -9.210 1.00 0.00 O ATOM 339 C1' A A 11 -8.167 6.181 -7.053 1.00 0.00 C ATOM 340 N9 A A 11 -7.111 6.357 -6.020 1.00 0.00 N ATOM 341 C8 A A 11 -6.769 5.535 -4.970 1.00 0.00 C ATOM 342 N7 A A 11 -5.794 5.980 -4.227 1.00 0.00 N ATOM 343 C5 A A 11 -5.458 7.196 -4.813 1.00 0.00 C ATOM 344 C6 A A 11 -4.484 8.196 -4.514 1.00 0.00 C ATOM 345 N6 A A 11 -3.629 8.101 -3.492 1.00 0.00 N ATOM 346 N1 A A 11 -4.409 9.301 -5.303 1.00 0.00 N ATOM 347 C2 A A 11 -5.255 9.407 -6.338 1.00 0.00 C ATOM 348 N3 A A 11 -6.206 8.544 -6.723 1.00 0.00 N ATOM 349 C4 A A 11 -6.262 7.436 -5.911 1.00 0.00 C ATOM 0 H5' A A 11 -11.677 5.288 -5.287 1.00 0.00 H new ATOM 0 H5'' A A 11 -11.542 3.616 -5.797 1.00 0.00 H new ATOM 0 H4' A A 11 -10.815 5.019 -7.561 1.00 0.00 H new ATOM 0 H3' A A 11 -8.595 3.419 -6.274 1.00 0.00 H new ATOM 0 H2' A A 11 -6.995 4.457 -7.858 1.00 0.00 H new ATOM 0 HO2' A A 11 -8.933 4.398 -9.520 1.00 0.00 H new ATOM 0 H1' A A 11 -8.082 7.017 -7.747 1.00 0.00 H new ATOM 0 H8 A A 11 -7.268 4.597 -4.777 1.00 0.00 H new ATOM 0 H61 A A 11 -2.952 8.845 -3.323 1.00 0.00 H new ATOM 0 H62 A A 11 -3.653 7.284 -2.881 1.00 0.00 H new ATOM 0 H2 A A 11 -5.158 10.300 -6.937 1.00 0.00 H new ATOM 361 P U A 12 -9.964 1.439 -7.359 1.00 0.00 P ATOM 362 OP1 U A 12 -9.476 0.369 -8.260 1.00 0.00 O ATOM 363 OP2 U A 12 -11.420 1.578 -7.141 1.00 0.00 O ATOM 364 O5' U A 12 -9.264 1.253 -5.895 1.00 0.00 O ATOM 365 C5' U A 12 -8.051 0.543 -5.684 1.00 0.00 C ATOM 366 C4' U A 12 -6.814 1.222 -6.302 1.00 0.00 C ATOM 367 O4' U A 12 -6.417 2.383 -5.588 1.00 0.00 O ATOM 368 C3' U A 12 -5.597 0.297 -6.290 1.00 0.00 C ATOM 369 O3' U A 12 -5.656 -0.626 -7.375 1.00 0.00 O ATOM 370 C2' U A 12 -4.456 1.316 -6.364 1.00 0.00 C ATOM 371 O2' U A 12 -4.228 1.811 -7.674 1.00 0.00 O ATOM 372 C1' U A 12 -4.995 2.431 -5.454 1.00 0.00 C ATOM 373 N1 U A 12 -4.538 2.315 -4.020 1.00 0.00 N ATOM 374 C2 U A 12 -3.185 2.604 -3.715 1.00 0.00 C ATOM 375 O2 U A 12 -2.347 2.920 -4.563 1.00 0.00 O ATOM 376 N3 U A 12 -2.804 2.512 -2.369 1.00 0.00 N ATOM 377 C4 U A 12 -3.652 2.183 -1.308 1.00 0.00 C ATOM 378 O4 U A 12 -3.226 2.150 -0.157 1.00 0.00 O ATOM 379 C5 U A 12 -5.026 1.903 -1.701 1.00 0.00 C ATOM 380 C6 U A 12 -5.422 1.977 -3.001 1.00 0.00 C ATOM 0 H5' U A 12 -8.150 -0.459 -6.102 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.892 0.426 -4.612 1.00 0.00 H new ATOM 0 H4' U A 12 -7.118 1.476 -7.318 1.00 0.00 H new ATOM 0 H3' U A 12 -5.499 -0.361 -5.427 1.00 0.00 H new ATOM 0 H2' U A 12 -3.494 0.895 -6.073 1.00 0.00 H new ATOM 0 HO2' U A 12 -4.522 1.146 -8.331 1.00 0.00 H new ATOM 0 H1' U A 12 -4.599 3.399 -5.760 1.00 0.00 H new ATOM 0 H3 U A 12 -1.827 2.701 -2.146 1.00 0.00 H new ATOM 0 H5 U A 12 -5.747 1.631 -0.944 1.00 0.00 H new ATOM 0 H6 U A 12 -6.452 1.767 -3.248 1.00 0.00 H new ATOM 391 P C A 13 -5.166 -2.165 -7.246 1.00 0.00 P ATOM 392 OP1 C A 13 -5.433 -2.840 -8.536 1.00 0.00 O ATOM 393 OP2 C A 13 -5.720 -2.736 -5.997 1.00 0.00 O ATOM 394 O5' C A 13 -3.569 -2.018 -7.058 1.00 0.00 O ATOM 395 C5' C A 13 -2.712 -1.583 -8.103 1.00 0.00 C ATOM 396 C4' C A 13 -1.288 -1.343 -7.579 1.00 0.00 C ATOM 397 O4' C A 13 -1.258 -0.276 -6.643 1.00 0.00 O ATOM 398 C3' C A 13 -0.681 -2.551 -6.856 1.00 0.00 C ATOM 399 O3' C A 13 -0.199 -3.530 -7.772 1.00 0.00 O ATOM 400 C2' C A 13 0.391 -1.870 -6.005 1.00 0.00 C ATOM 401 O2' C A 13 1.592 -1.606 -6.713 1.00 0.00 O ATOM 402 C1' C A 13 -0.306 -0.552 -5.618 1.00 0.00 C ATOM 403 N1 C A 13 -0.927 -0.628 -4.248 1.00 0.00 N ATOM 404 C2 C A 13 -0.072 -0.597 -3.118 1.00 0.00 C ATOM 405 O2 C A 13 1.154 -0.526 -3.226 1.00 0.00 O ATOM 406 N3 C A 13 -0.632 -0.655 -1.868 1.00 0.00 N ATOM 407 C4 C A 13 -1.965 -0.740 -1.686 1.00 0.00 C ATOM 408 N4 C A 13 -2.446 -0.796 -0.436 1.00 0.00 N ATOM 409 C5 C A 13 -2.861 -0.778 -2.822 1.00 0.00 C ATOM 410 C6 C A 13 -2.303 -0.717 -4.062 1.00 0.00 C ATOM 0 H5' C A 13 -3.103 -0.664 -8.541 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.691 -2.330 -8.896 1.00 0.00 H new ATOM 0 H4' C A 13 -0.709 -1.124 -8.476 1.00 0.00 H new ATOM 0 H3' C A 13 -1.374 -3.139 -6.255 1.00 0.00 H new ATOM 0 H2' C A 13 0.711 -2.491 -5.168 1.00 0.00 H new ATOM 0 HO2' C A 13 1.682 -2.242 -7.453 1.00 0.00 H new ATOM 0 H1' C A 13 0.413 0.264 -5.549 1.00 0.00 H new ATOM 0 H41 C A 13 -3.452 -0.861 -0.279 1.00 0.00 H new ATOM 0 H42 C A 13 -1.806 -0.774 0.358 1.00 0.00 H new ATOM 0 H5 C A 13 -3.930 -0.852 -2.691 1.00 0.00 H new ATOM 0 H6 C A 13 -2.948 -0.738 -4.928 1.00 0.00 H new ATOM 422 P U A 14 -0.336 -5.124 -7.502 1.00 0.00 P ATOM 423 OP1 U A 14 0.259 -5.837 -8.657 1.00 0.00 O ATOM 424 OP2 U A 14 -1.735 -5.415 -7.114 1.00 0.00 O ATOM 425 O5' U A 14 0.599 -5.370 -6.204 1.00 0.00 O ATOM 426 C5' U A 14 2.015 -5.305 -6.257 1.00 0.00 C ATOM 427 C4' U A 14 2.630 -5.303 -4.849 1.00 0.00 C ATOM 428 O4' U A 14 2.235 -4.149 -4.118 1.00 0.00 O ATOM 429 C3' U A 14 2.232 -6.492 -3.965 1.00 0.00 C ATOM 430 O3' U A 14 2.909 -7.698 -4.303 1.00 0.00 O ATOM 431 C2' U A 14 2.571 -5.929 -2.581 1.00 0.00 C ATOM 432 O2' U A 14 3.953 -5.989 -2.267 1.00 0.00 O ATOM 433 C1' U A 14 2.125 -4.465 -2.731 1.00 0.00 C ATOM 434 N1 U A 14 0.737 -4.279 -2.182 1.00 0.00 N ATOM 435 C2 U A 14 0.591 -4.189 -0.779 1.00 0.00 C ATOM 436 O2 U A 14 1.537 -4.259 0.004 1.00 0.00 O ATOM 437 N3 U A 14 -0.710 -4.022 -0.290 1.00 0.00 N ATOM 438 C4 U A 14 -1.868 -3.959 -1.072 1.00 0.00 C ATOM 439 O4 U A 14 -2.968 -3.818 -0.542 1.00 0.00 O ATOM 440 C5 U A 14 -1.633 -4.067 -2.507 1.00 0.00 C ATOM 441 C6 U A 14 -0.377 -4.219 -3.008 1.00 0.00 C ATOM 0 H5' U A 14 2.320 -4.404 -6.790 1.00 0.00 H new ATOM 0 H5'' U A 14 2.399 -6.155 -6.822 1.00 0.00 H new ATOM 0 H4' U A 14 3.701 -5.343 -5.048 1.00 0.00 H new ATOM 0 H3' U A 14 1.195 -6.812 -4.062 1.00 0.00 H new ATOM 0 H2' U A 14 2.093 -6.488 -1.777 1.00 0.00 H new ATOM 0 HO2' U A 14 4.394 -6.636 -2.856 1.00 0.00 H new ATOM 0 H1' U A 14 2.751 -3.782 -2.157 1.00 0.00 H new ATOM 0 H3 U A 14 -0.823 -3.939 0.720 1.00 0.00 H new ATOM 0 H5 U A 14 -2.472 -4.026 -3.186 1.00 0.00 H new ATOM 0 H6 U A 14 -0.243 -4.295 -4.077 1.00 0.00 H new ATOM 452 P U A 15 2.327 -9.167 -3.916 1.00 0.00 P ATOM 453 OP1 U A 15 3.256 -10.180 -4.466 1.00 0.00 O ATOM 454 OP2 U A 15 0.896 -9.216 -4.296 1.00 0.00 O ATOM 455 O5' U A 15 2.405 -9.217 -2.296 1.00 0.00 O ATOM 456 C5' U A 15 3.632 -9.346 -1.595 1.00 0.00 C ATOM 457 C4' U A 15 3.456 -9.130 -0.083 1.00 0.00 C ATOM 458 O4' U A 15 2.904 -7.851 0.210 1.00 0.00 O ATOM 459 C3' U A 15 2.522 -10.127 0.616 1.00 0.00 C ATOM 460 O3' U A 15 3.095 -11.415 0.811 1.00 0.00 O ATOM 461 C2' U A 15 2.249 -9.362 1.914 1.00 0.00 C ATOM 462 O2' U A 15 3.306 -9.437 2.858 1.00 0.00 O ATOM 463 C1' U A 15 2.118 -7.927 1.399 1.00 0.00 C ATOM 464 N1 U A 15 0.679 -7.547 1.198 1.00 0.00 N ATOM 465 C2 U A 15 -0.057 -7.118 2.325 1.00 0.00 C ATOM 466 O2 U A 15 0.408 -7.055 3.464 1.00 0.00 O ATOM 467 N3 U A 15 -1.389 -6.760 2.104 1.00 0.00 N ATOM 468 C4 U A 15 -2.054 -6.809 0.877 1.00 0.00 C ATOM 469 O4 U A 15 -3.233 -6.475 0.804 1.00 0.00 O ATOM 470 C5 U A 15 -1.230 -7.275 -0.233 1.00 0.00 C ATOM 471 C6 U A 15 0.073 -7.621 -0.050 1.00 0.00 C ATOM 0 H5' U A 15 4.349 -8.623 -1.984 1.00 0.00 H new ATOM 0 H5'' U A 15 4.049 -10.337 -1.774 1.00 0.00 H new ATOM 0 H4' U A 15 4.473 -9.255 0.288 1.00 0.00 H new ATOM 0 H3' U A 15 1.629 -10.389 0.049 1.00 0.00 H new ATOM 0 H2' U A 15 1.386 -9.759 2.449 1.00 0.00 H new ATOM 0 HO2' U A 15 3.066 -8.927 3.659 1.00 0.00 H new ATOM 0 H1' U A 15 2.488 -7.201 2.123 1.00 0.00 H new ATOM 0 H3 U A 15 -1.923 -6.434 2.910 1.00 0.00 H new ATOM 0 H5 U A 15 -1.663 -7.347 -1.220 1.00 0.00 H new ATOM 0 H6 U A 15 0.651 -7.962 -0.896 1.00 0.00 H new ATOM 482 P C A 16 2.196 -12.730 1.144 1.00 0.00 P ATOM 483 OP1 C A 16 3.116 -13.879 1.300 1.00 0.00 O ATOM 484 OP2 C A 16 1.106 -12.807 0.145 1.00 0.00 O ATOM 485 O5' C A 16 1.515 -12.413 2.585 1.00 0.00 O ATOM 486 C5' C A 16 2.246 -12.439 3.804 1.00 0.00 C ATOM 487 C4' C A 16 1.416 -11.897 4.982 1.00 0.00 C ATOM 488 O4' C A 16 0.934 -10.580 4.746 1.00 0.00 O ATOM 489 C3' C A 16 0.164 -12.720 5.303 1.00 0.00 C ATOM 490 O3' C A 16 0.448 -13.935 5.973 1.00 0.00 O ATOM 491 C2' C A 16 -0.647 -11.712 6.124 1.00 0.00 C ATOM 492 O2' C A 16 -0.256 -11.634 7.488 1.00 0.00 O ATOM 493 C1' C A 16 -0.317 -10.386 5.409 1.00 0.00 C ATOM 494 N1 C A 16 -1.435 -9.996 4.480 1.00 0.00 N ATOM 495 C2 C A 16 -2.612 -9.429 5.031 1.00 0.00 C ATOM 496 O2 C A 16 -2.739 -9.231 6.241 1.00 0.00 O ATOM 497 N3 C A 16 -3.643 -9.099 4.186 1.00 0.00 N ATOM 498 C4 C A 16 -3.563 -9.305 2.855 1.00 0.00 C ATOM 499 N4 C A 16 -4.604 -8.960 2.085 1.00 0.00 N ATOM 500 C5 C A 16 -2.374 -9.885 2.267 1.00 0.00 C ATOM 501 C6 C A 16 -1.352 -10.207 3.108 1.00 0.00 C ATOM 0 H5' C A 16 3.154 -11.845 3.696 1.00 0.00 H new ATOM 0 H5'' C A 16 2.557 -13.461 4.019 1.00 0.00 H new ATOM 0 H4' C A 16 2.124 -11.939 5.810 1.00 0.00 H new ATOM 0 H3' C A 16 -0.371 -13.089 4.428 1.00 0.00 H new ATOM 0 H2' C A 16 -1.703 -11.978 6.165 1.00 0.00 H new ATOM 0 HO2' C A 16 0.264 -12.430 7.725 1.00 0.00 H new ATOM 0 HO3' C A 16 -0.388 -14.413 6.152 1.00 0.00 H new ATOM 0 H1' C A 16 -0.225 -9.554 6.107 1.00 0.00 H new ATOM 0 H41 C A 16 -4.563 -9.108 1.077 1.00 0.00 H new ATOM 0 H42 C A 16 -5.437 -8.550 2.507 1.00 0.00 H new ATOM 0 H5 C A 16 -2.300 -10.056 1.203 1.00 0.00 H new ATOM 0 H6 C A 16 -0.451 -10.639 2.697 1.00 0.00 H new TER 514 C A 16