USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -22:sc= 0.362 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -23:sc= 0.255 USER MOD Single : A 3 G O2' : rot -19:sc= 0.0354 USER MOD Single : A 4 U O2' : rot -22:sc= 0.304 USER MOD Single : A 5 C O2' : rot -24:sc= 0.253 USER MOD Single : A 6 U O2' : rot -7:sc= -0.982 USER MOD Single : A 7 U O2' : rot -135:sc= -1.93! USER MOD Single : A 8 C O2' : rot 35:sc= 0.209 USER MOD Single : A 9 G O2' : rot -27:sc= 0.283 USER MOD Single : A 10 G O2' : rot -170:sc= -1.92! USER MOD Single : A 11 G O2' : rot -32:sc= 0.285 USER MOD Single : A 12 U O2' : rot -20:sc= 0.328 USER MOD Single : A 13 C O2' : rot -14:sc= 0.291 USER MOD Single : A 14 C O2' : rot -20:sc= 0.119 USER MOD Single : A 14 C O3' : rot 180:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 8.726 -4.495 4.679 1.00 0.00 O ATOM 2 C5' G A 1 9.930 -4.947 4.052 1.00 0.00 C ATOM 3 C4' G A 1 9.640 -5.760 2.794 1.00 0.00 C ATOM 4 O4' G A 1 8.760 -6.834 3.112 1.00 0.00 O ATOM 5 C3' G A 1 8.906 -5.011 1.700 1.00 0.00 C ATOM 6 O3' G A 1 9.896 -4.370 0.884 1.00 0.00 O ATOM 7 C2' G A 1 8.284 -6.139 0.887 1.00 0.00 C ATOM 8 O2' G A 1 9.238 -6.684 -0.032 1.00 0.00 O ATOM 9 C1' G A 1 7.939 -7.162 1.975 1.00 0.00 C ATOM 10 N9 G A 1 6.545 -7.037 2.415 1.00 0.00 N ATOM 11 C8 G A 1 6.075 -6.299 3.461 1.00 0.00 C ATOM 12 N7 G A 1 4.784 -6.373 3.620 1.00 0.00 N ATOM 13 C5 G A 1 4.373 -7.226 2.598 1.00 0.00 C ATOM 14 C6 G A 1 3.071 -7.683 2.260 1.00 0.00 C ATOM 15 O6 G A 1 2.003 -7.423 2.805 1.00 0.00 O ATOM 16 N1 G A 1 3.098 -8.526 1.164 1.00 0.00 N ATOM 17 C2 G A 1 4.225 -8.887 0.476 1.00 0.00 C ATOM 18 N2 G A 1 4.064 -9.703 -0.555 1.00 0.00 N ATOM 19 N3 G A 1 5.454 -8.467 0.778 1.00 0.00 N ATOM 20 C4 G A 1 5.450 -7.638 1.850 1.00 0.00 C ATOM 0 H5' G A 1 10.500 -5.555 4.755 1.00 0.00 H new ATOM 0 H5'' G A 1 10.551 -4.089 3.796 1.00 0.00 H new ATOM 0 H4' G A 1 10.628 -6.056 2.441 1.00 0.00 H new ATOM 0 H3' G A 1 8.188 -4.273 2.057 1.00 0.00 H new ATOM 0 H2' G A 1 7.431 -5.830 0.282 1.00 0.00 H new ATOM 0 HO2' G A 1 9.941 -6.023 -0.204 1.00 0.00 H new ATOM 0 HO5' G A 1 8.949 -3.979 5.482 1.00 0.00 H new ATOM 0 H1' G A 1 8.098 -8.168 1.586 1.00 0.00 H new ATOM 0 H8 G A 1 6.714 -5.707 4.099 1.00 0.00 H new ATOM 0 H1 G A 1 2.209 -8.909 0.843 1.00 0.00 H new ATOM 0 H21 G A 1 4.873 -10.002 -1.100 1.00 0.00 H new ATOM 0 H22 G A 1 3.131 -10.033 -0.804 1.00 0.00 H new ATOM 33 P G A 2 9.614 -2.922 0.234 1.00 0.00 P ATOM 34 OP1 G A 2 10.903 -2.364 -0.232 1.00 0.00 O ATOM 35 OP2 G A 2 8.772 -2.146 1.173 1.00 0.00 O ATOM 36 O5' G A 2 8.723 -3.285 -1.060 1.00 0.00 O ATOM 37 C5' G A 2 9.334 -3.803 -2.247 1.00 0.00 C ATOM 38 C4' G A 2 8.329 -4.529 -3.138 1.00 0.00 C ATOM 39 O4' G A 2 7.689 -5.567 -2.388 1.00 0.00 O ATOM 40 C3' G A 2 7.168 -3.685 -3.635 1.00 0.00 C ATOM 41 O3' G A 2 7.569 -3.056 -4.861 1.00 0.00 O ATOM 42 C2' G A 2 6.142 -4.750 -3.979 1.00 0.00 C ATOM 43 O2' G A 2 6.488 -5.413 -5.200 1.00 0.00 O ATOM 44 C1' G A 2 6.309 -5.692 -2.787 1.00 0.00 C ATOM 45 N9 G A 2 5.471 -5.284 -1.650 1.00 0.00 N ATOM 46 C8 G A 2 5.783 -4.415 -0.643 1.00 0.00 C ATOM 47 N7 G A 2 4.818 -4.238 0.218 1.00 0.00 N ATOM 48 C5 G A 2 3.795 -5.051 -0.261 1.00 0.00 C ATOM 49 C6 G A 2 2.488 -5.278 0.254 1.00 0.00 C ATOM 50 O6 G A 2 1.965 -4.799 1.256 1.00 0.00 O ATOM 51 N1 G A 2 1.780 -6.168 -0.531 1.00 0.00 N ATOM 52 C2 G A 2 2.258 -6.769 -1.669 1.00 0.00 C ATOM 53 N2 G A 2 1.441 -7.598 -2.303 1.00 0.00 N ATOM 54 N3 G A 2 3.476 -6.570 -2.162 1.00 0.00 N ATOM 55 C4 G A 2 4.187 -5.699 -1.406 1.00 0.00 C ATOM 0 H5' G A 2 10.136 -4.488 -1.972 1.00 0.00 H new ATOM 0 H5'' G A 2 9.790 -2.986 -2.806 1.00 0.00 H new ATOM 0 H4' G A 2 8.929 -4.861 -3.985 1.00 0.00 H new ATOM 0 H3' G A 2 6.826 -2.924 -2.934 1.00 0.00 H new ATOM 0 H2' G A 2 5.129 -4.377 -4.131 1.00 0.00 H new ATOM 0 HO2' G A 2 7.069 -4.832 -5.734 1.00 0.00 H new ATOM 0 H1' G A 2 6.022 -6.706 -3.066 1.00 0.00 H new ATOM 0 H8 G A 2 6.740 -3.920 -0.566 1.00 0.00 H new ATOM 0 H1 G A 2 0.829 -6.396 -0.243 1.00 0.00 H new ATOM 0 H21 G A 2 1.751 -8.069 -3.153 1.00 0.00 H new ATOM 0 H22 G A 2 0.502 -7.765 -1.941 1.00 0.00 H new ATOM 67 P G A 3 6.857 -1.696 -5.353 1.00 0.00 P ATOM 68 OP1 G A 3 7.438 -1.319 -6.662 1.00 0.00 O ATOM 69 OP2 G A 3 6.877 -0.729 -4.234 1.00 0.00 O ATOM 70 O5' G A 3 5.331 -2.159 -5.591 1.00 0.00 O ATOM 71 C5' G A 3 4.939 -2.804 -6.810 1.00 0.00 C ATOM 72 C4' G A 3 3.441 -3.093 -6.846 1.00 0.00 C ATOM 73 O4' G A 3 3.083 -3.943 -5.749 1.00 0.00 O ATOM 74 C3' G A 3 2.544 -1.891 -6.650 1.00 0.00 C ATOM 75 O3' G A 3 2.353 -1.275 -7.931 1.00 0.00 O ATOM 76 C2' G A 3 1.232 -2.548 -6.253 1.00 0.00 C ATOM 77 O2' G A 3 0.563 -3.085 -7.400 1.00 0.00 O ATOM 78 C1' G A 3 1.727 -3.674 -5.339 1.00 0.00 C ATOM 79 N9 G A 3 1.723 -3.283 -3.917 1.00 0.00 N ATOM 80 C8 G A 3 2.783 -2.944 -3.116 1.00 0.00 C ATOM 81 N7 G A 3 2.442 -2.643 -1.894 1.00 0.00 N ATOM 82 C5 G A 3 1.060 -2.796 -1.885 1.00 0.00 C ATOM 83 C6 G A 3 0.125 -2.608 -0.830 1.00 0.00 C ATOM 84 O6 G A 3 0.337 -2.264 0.329 1.00 0.00 O ATOM 85 N1 G A 3 -1.167 -2.865 -1.242 1.00 0.00 N ATOM 86 C2 G A 3 -1.528 -3.255 -2.505 1.00 0.00 C ATOM 87 N2 G A 3 -2.819 -3.456 -2.727 1.00 0.00 N ATOM 88 N3 G A 3 -0.667 -3.436 -3.504 1.00 0.00 N ATOM 89 C4 G A 3 0.609 -3.188 -3.121 1.00 0.00 C ATOM 0 H5' G A 3 5.491 -3.737 -6.921 1.00 0.00 H new ATOM 0 H5'' G A 3 5.207 -2.173 -7.657 1.00 0.00 H new ATOM 0 H4' G A 3 3.291 -3.516 -7.839 1.00 0.00 H new ATOM 0 H3' G A 3 2.918 -1.151 -5.943 1.00 0.00 H new ATOM 0 H2' G A 3 0.514 -1.872 -5.788 1.00 0.00 H new ATOM 0 HO2' G A 3 0.922 -2.670 -8.212 1.00 0.00 H new ATOM 0 H1' G A 3 1.072 -4.541 -5.428 1.00 0.00 H new ATOM 0 H8 G A 3 3.805 -2.928 -3.465 1.00 0.00 H new ATOM 0 H1 G A 3 -1.911 -2.756 -0.553 1.00 0.00 H new ATOM 0 H21 G A 3 -3.138 -3.747 -3.651 1.00 0.00 H new ATOM 0 H22 G A 3 -3.493 -3.319 -1.974 1.00 0.00 H new ATOM 101 P U A 4 1.935 0.277 -8.040 1.00 0.00 P ATOM 102 OP1 U A 4 1.576 0.565 -9.447 1.00 0.00 O ATOM 103 OP2 U A 4 2.977 1.085 -7.365 1.00 0.00 O ATOM 104 O5' U A 4 0.592 0.349 -7.149 1.00 0.00 O ATOM 105 C5' U A 4 -0.672 -0.066 -7.683 1.00 0.00 C ATOM 106 C4' U A 4 -1.783 0.035 -6.641 1.00 0.00 C ATOM 107 O4' U A 4 -1.470 -0.814 -5.528 1.00 0.00 O ATOM 108 C3' U A 4 -1.944 1.404 -6.011 1.00 0.00 C ATOM 109 O3' U A 4 -2.868 2.148 -6.819 1.00 0.00 O ATOM 110 C2' U A 4 -2.636 1.070 -4.701 1.00 0.00 C ATOM 111 O2' U A 4 -4.025 0.796 -4.913 1.00 0.00 O ATOM 112 C1' U A 4 -1.891 -0.201 -4.293 1.00 0.00 C ATOM 113 N1 U A 4 -0.693 0.086 -3.474 1.00 0.00 N ATOM 114 C2 U A 4 -0.864 0.207 -2.107 1.00 0.00 C ATOM 115 O2 U A 4 -1.962 0.108 -1.562 1.00 0.00 O ATOM 116 N3 U A 4 0.274 0.465 -1.376 1.00 0.00 N ATOM 117 C4 U A 4 1.549 0.613 -1.881 1.00 0.00 C ATOM 118 O4 U A 4 2.481 0.854 -1.123 1.00 0.00 O ATOM 119 C5 U A 4 1.651 0.475 -3.314 1.00 0.00 C ATOM 120 C6 U A 4 0.544 0.221 -4.051 1.00 0.00 C ATOM 0 H5' U A 4 -0.598 -1.094 -8.038 1.00 0.00 H new ATOM 0 H5'' U A 4 -0.924 0.552 -8.545 1.00 0.00 H new ATOM 0 H4' U A 4 -2.687 -0.229 -7.189 1.00 0.00 H new ATOM 0 H3' U A 4 -1.018 1.968 -5.903 1.00 0.00 H new ATOM 0 H2' U A 4 -2.609 1.869 -3.960 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.315 1.208 -5.754 1.00 0.00 H new ATOM 0 H1' U A 4 -2.541 -0.836 -3.690 1.00 0.00 H new ATOM 0 H3 U A 4 0.164 0.555 -0.366 1.00 0.00 H new ATOM 0 H5 U A 4 2.611 0.574 -3.799 1.00 0.00 H new ATOM 0 H6 U A 4 0.638 0.122 -5.122 1.00 0.00 H new ATOM 131 P C A 5 -2.774 3.754 -6.906 1.00 0.00 P ATOM 132 OP1 C A 5 -3.621 4.209 -8.031 1.00 0.00 O ATOM 133 OP2 C A 5 -1.347 4.140 -6.852 1.00 0.00 O ATOM 134 O5' C A 5 -3.469 4.219 -5.525 1.00 0.00 O ATOM 135 C5' C A 5 -4.891 4.377 -5.436 1.00 0.00 C ATOM 136 C4' C A 5 -5.329 4.777 -4.030 1.00 0.00 C ATOM 137 O4' C A 5 -4.929 3.762 -3.098 1.00 0.00 O ATOM 138 C3' C A 5 -4.677 6.031 -3.486 1.00 0.00 C ATOM 139 O3' C A 5 -5.479 7.150 -3.888 1.00 0.00 O ATOM 140 C2' C A 5 -4.853 5.850 -1.989 1.00 0.00 C ATOM 141 O2' C A 5 -6.201 6.133 -1.598 1.00 0.00 O ATOM 142 C1' C A 5 -4.554 4.357 -1.842 1.00 0.00 C ATOM 143 N1 C A 5 -3.119 4.090 -1.600 1.00 0.00 N ATOM 144 C2 C A 5 -2.690 4.020 -0.285 1.00 0.00 C ATOM 145 O2 C A 5 -3.482 4.183 0.639 1.00 0.00 O ATOM 146 N3 C A 5 -1.377 3.772 -0.039 1.00 0.00 N ATOM 147 C4 C A 5 -0.513 3.601 -1.046 1.00 0.00 C ATOM 148 N4 C A 5 0.757 3.368 -0.734 1.00 0.00 N ATOM 149 C5 C A 5 -0.946 3.674 -2.405 1.00 0.00 C ATOM 150 C6 C A 5 -2.248 3.919 -2.638 1.00 0.00 C ATOM 0 H5' C A 5 -5.379 3.444 -5.717 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.218 5.135 -6.148 1.00 0.00 H new ATOM 0 H4' C A 5 -6.404 4.930 -4.124 1.00 0.00 H new ATOM 0 H3' C A 5 -3.648 6.187 -3.809 1.00 0.00 H new ATOM 0 H2' C A 5 -4.229 6.503 -1.378 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.613 6.734 -2.254 1.00 0.00 H new ATOM 0 H1' C A 5 -5.099 3.952 -0.989 1.00 0.00 H new ATOM 0 H41 C A 5 1.447 3.232 -1.473 1.00 0.00 H new ATOM 0 H42 C A 5 1.042 3.325 0.244 1.00 0.00 H new ATOM 0 H5 C A 5 -0.250 3.537 -3.220 1.00 0.00 H new ATOM 0 H6 C A 5 -2.608 3.981 -3.654 1.00 0.00 H new ATOM 162 P U A 6 -4.809 8.597 -4.120 1.00 0.00 P ATOM 163 OP1 U A 6 -5.876 9.547 -4.510 1.00 0.00 O ATOM 164 OP2 U A 6 -3.621 8.424 -4.986 1.00 0.00 O ATOM 165 O5' U A 6 -4.296 8.987 -2.641 1.00 0.00 O ATOM 166 C5' U A 6 -5.221 9.416 -1.634 1.00 0.00 C ATOM 167 C4' U A 6 -4.567 9.484 -0.257 1.00 0.00 C ATOM 168 O4' U A 6 -4.050 8.193 0.093 1.00 0.00 O ATOM 169 C3' U A 6 -3.356 10.391 -0.162 1.00 0.00 C ATOM 170 O3' U A 6 -3.832 11.701 0.169 1.00 0.00 O ATOM 171 C2' U A 6 -2.635 9.832 1.051 1.00 0.00 C ATOM 172 O2' U A 6 -3.274 10.254 2.261 1.00 0.00 O ATOM 173 C1' U A 6 -2.821 8.328 0.835 1.00 0.00 C ATOM 174 N1 U A 6 -1.726 7.726 0.041 1.00 0.00 N ATOM 175 C2 U A 6 -0.707 7.093 0.730 1.00 0.00 C ATOM 176 O2 U A 6 -0.679 7.022 1.956 1.00 0.00 O ATOM 177 N3 U A 6 0.289 6.538 -0.041 1.00 0.00 N ATOM 178 C4 U A 6 0.358 6.556 -1.418 1.00 0.00 C ATOM 179 O4 U A 6 1.295 6.010 -1.989 1.00 0.00 O ATOM 180 C5 U A 6 -0.738 7.232 -2.068 1.00 0.00 C ATOM 181 C6 U A 6 -1.728 7.788 -1.328 1.00 0.00 C ATOM 0 H5' U A 6 -6.067 8.730 -1.601 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.616 10.397 -1.898 1.00 0.00 H new ATOM 0 H4' U A 6 -5.360 9.860 0.389 1.00 0.00 H new ATOM 0 H3' U A 6 -2.745 10.440 -1.063 1.00 0.00 H new ATOM 0 H2' U A 6 -1.597 10.150 1.146 1.00 0.00 H new ATOM 0 HO2' U A 6 -3.976 10.904 2.050 1.00 0.00 H new ATOM 0 H1' U A 6 -2.830 7.818 1.798 1.00 0.00 H new ATOM 0 H3 U A 6 1.048 6.069 0.453 1.00 0.00 H new ATOM 0 H5 U A 6 -0.770 7.295 -3.146 1.00 0.00 H new ATOM 0 H6 U A 6 -2.540 8.293 -1.830 1.00 0.00 H new ATOM 192 P U A 7 -2.908 13.003 -0.060 1.00 0.00 P ATOM 193 OP1 U A 7 -3.795 14.163 -0.301 1.00 0.00 O ATOM 194 OP2 U A 7 -1.854 12.659 -1.043 1.00 0.00 O ATOM 195 O5' U A 7 -2.215 13.182 1.382 1.00 0.00 O ATOM 196 C5' U A 7 -1.678 14.443 1.797 1.00 0.00 C ATOM 197 C4' U A 7 -1.544 14.516 3.315 1.00 0.00 C ATOM 198 O4' U A 7 -2.850 14.419 3.911 1.00 0.00 O ATOM 199 C3' U A 7 -0.746 13.370 3.929 1.00 0.00 C ATOM 200 O3' U A 7 -0.183 13.845 5.158 1.00 0.00 O ATOM 201 C2' U A 7 -1.818 12.350 4.276 1.00 0.00 C ATOM 202 O2' U A 7 -1.376 11.481 5.322 1.00 0.00 O ATOM 203 C1' U A 7 -2.929 13.269 4.765 1.00 0.00 C ATOM 204 N1 U A 7 -4.269 12.664 4.627 1.00 0.00 N ATOM 205 C2 U A 7 -4.993 12.437 5.782 1.00 0.00 C ATOM 206 O2 U A 7 -4.568 12.721 6.898 1.00 0.00 O ATOM 207 N3 U A 7 -6.236 11.871 5.615 1.00 0.00 N ATOM 208 C4 U A 7 -6.815 11.515 4.416 1.00 0.00 C ATOM 209 O4 U A 7 -7.938 11.019 4.402 1.00 0.00 O ATOM 210 C5 U A 7 -6.002 11.781 3.252 1.00 0.00 C ATOM 211 C6 U A 7 -4.775 12.339 3.393 1.00 0.00 C ATOM 0 H5' U A 7 -2.324 15.248 1.448 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.702 14.595 1.336 1.00 0.00 H new ATOM 0 H4' U A 7 -1.031 15.458 3.509 1.00 0.00 H new ATOM 0 H3' U A 7 0.042 12.982 3.284 1.00 0.00 H new ATOM 0 H2' U A 7 -2.101 11.688 3.458 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.604 10.555 5.096 1.00 0.00 H new ATOM 0 H1' U A 7 -2.800 13.491 5.824 1.00 0.00 H new ATOM 0 H3 U A 7 -6.781 11.698 6.460 1.00 0.00 H new ATOM 0 H5 U A 7 -6.373 11.535 2.268 1.00 0.00 H new ATOM 0 H6 U A 7 -4.180 12.533 2.512 1.00 0.00 H new ATOM 222 P C A 8 1.415 13.865 5.365 1.00 0.00 P ATOM 223 OP1 C A 8 1.695 14.079 6.802 1.00 0.00 O ATOM 224 OP2 C A 8 1.998 14.777 4.355 1.00 0.00 O ATOM 225 O5' C A 8 1.837 12.355 4.981 1.00 0.00 O ATOM 226 C5' C A 8 1.486 11.257 5.832 1.00 0.00 C ATOM 227 C4' C A 8 1.998 9.924 5.291 1.00 0.00 C ATOM 228 O4' C A 8 1.350 9.625 4.043 1.00 0.00 O ATOM 229 C3' C A 8 3.498 9.888 4.986 1.00 0.00 C ATOM 230 O3' C A 8 3.949 8.543 5.224 1.00 0.00 O ATOM 231 C2' C A 8 3.557 10.134 3.483 1.00 0.00 C ATOM 232 O2' C A 8 4.746 9.570 2.921 1.00 0.00 O ATOM 233 C1' C A 8 2.321 9.375 3.024 1.00 0.00 C ATOM 234 N1 C A 8 1.784 9.856 1.733 1.00 0.00 N ATOM 235 C2 C A 8 1.892 9.016 0.635 1.00 0.00 C ATOM 236 O2 C A 8 2.443 7.922 0.743 1.00 0.00 O ATOM 237 N3 C A 8 1.375 9.426 -0.555 1.00 0.00 N ATOM 238 C4 C A 8 0.774 10.615 -0.664 1.00 0.00 C ATOM 239 N4 C A 8 0.277 10.950 -1.850 1.00 0.00 N ATOM 240 C5 C A 8 0.659 11.488 0.462 1.00 0.00 C ATOM 241 C6 C A 8 1.174 11.072 1.633 1.00 0.00 C ATOM 0 H5' C A 8 0.402 11.213 5.937 1.00 0.00 H new ATOM 0 H5'' C A 8 1.896 11.425 6.828 1.00 0.00 H new ATOM 0 H4' C A 8 1.782 9.209 6.085 1.00 0.00 H new ATOM 0 H3' C A 8 4.088 10.594 5.571 1.00 0.00 H new ATOM 0 H2' C A 8 3.577 11.184 3.192 1.00 0.00 H new ATOM 0 HO2' C A 8 4.968 8.739 3.391 1.00 0.00 H new ATOM 0 H1' C A 8 2.563 8.323 2.875 1.00 0.00 H new ATOM 0 H41 C A 8 -0.189 11.849 -1.972 1.00 0.00 H new ATOM 0 H42 C A 8 0.361 10.308 -2.638 1.00 0.00 H new ATOM 0 H5 C A 8 0.175 12.449 0.375 1.00 0.00 H new ATOM 0 H6 C A 8 1.104 11.708 2.503 1.00 0.00 H new ATOM 253 P G A 9 5.147 8.241 6.268 1.00 0.00 P ATOM 254 OP1 G A 9 5.919 9.490 6.464 1.00 0.00 O ATOM 255 OP2 G A 9 5.843 7.012 5.824 1.00 0.00 O ATOM 256 O5' G A 9 4.366 7.910 7.640 1.00 0.00 O ATOM 257 C5' G A 9 3.473 8.864 8.230 1.00 0.00 C ATOM 258 C4' G A 9 2.489 8.203 9.190 1.00 0.00 C ATOM 259 O4' G A 9 1.344 9.054 9.338 1.00 0.00 O ATOM 260 C3' G A 9 1.892 6.894 8.705 1.00 0.00 C ATOM 261 O3' G A 9 2.753 5.834 9.145 1.00 0.00 O ATOM 262 C2' G A 9 0.609 6.813 9.512 1.00 0.00 C ATOM 263 O2' G A 9 0.882 6.407 10.858 1.00 0.00 O ATOM 264 C1' G A 9 0.142 8.268 9.470 1.00 0.00 C ATOM 265 N9 G A 9 -0.753 8.550 8.322 1.00 0.00 N ATOM 266 C8 G A 9 -1.936 9.244 8.318 1.00 0.00 C ATOM 267 N7 G A 9 -2.498 9.323 7.143 1.00 0.00 N ATOM 268 C5 G A 9 -1.625 8.633 6.306 1.00 0.00 C ATOM 269 C6 G A 9 -1.705 8.380 4.907 1.00 0.00 C ATOM 270 O6 G A 9 -2.583 8.720 4.116 1.00 0.00 O ATOM 271 N1 G A 9 -0.622 7.650 4.459 1.00 0.00 N ATOM 272 C2 G A 9 0.410 7.212 5.246 1.00 0.00 C ATOM 273 N2 G A 9 1.375 6.528 4.651 1.00 0.00 N ATOM 274 N3 G A 9 0.499 7.438 6.553 1.00 0.00 N ATOM 275 C4 G A 9 -0.553 8.155 7.018 1.00 0.00 C ATOM 0 H5' G A 9 2.922 9.380 7.444 1.00 0.00 H new ATOM 0 H5'' G A 9 4.050 9.619 8.764 1.00 0.00 H new ATOM 0 H4' G A 9 3.073 8.027 10.094 1.00 0.00 H new ATOM 0 H3' G A 9 1.754 6.829 7.626 1.00 0.00 H new ATOM 0 H2' G A 9 -0.118 6.095 9.133 1.00 0.00 H new ATOM 0 HO2' G A 9 1.702 5.871 10.878 1.00 0.00 H new ATOM 0 H1' G A 9 -0.431 8.500 10.368 1.00 0.00 H new ATOM 0 H8 G A 9 -2.363 9.685 9.206 1.00 0.00 H new ATOM 0 H1 G A 9 -0.588 7.419 3.466 1.00 0.00 H new ATOM 0 H21 G A 9 2.165 6.181 5.196 1.00 0.00 H new ATOM 0 H22 G A 9 1.329 6.348 3.648 1.00 0.00 H new ATOM 287 P G A 10 3.528 4.902 8.080 1.00 0.00 P ATOM 288 OP1 G A 10 4.932 4.761 8.527 1.00 0.00 O ATOM 289 OP2 G A 10 3.238 5.404 6.715 1.00 0.00 O ATOM 290 O5' G A 10 2.801 3.468 8.253 1.00 0.00 O ATOM 291 C5' G A 10 2.203 3.090 9.502 1.00 0.00 C ATOM 292 C4' G A 10 0.679 3.021 9.409 1.00 0.00 C ATOM 293 O4' G A 10 0.229 4.140 8.632 1.00 0.00 O ATOM 294 C3' G A 10 0.140 1.813 8.656 1.00 0.00 C ATOM 295 O3' G A 10 -0.175 0.801 9.623 1.00 0.00 O ATOM 296 C2' G A 10 -1.171 2.326 8.089 1.00 0.00 C ATOM 297 O2' G A 10 -2.186 2.370 9.098 1.00 0.00 O ATOM 298 C1' G A 10 -0.764 3.733 7.676 1.00 0.00 C ATOM 299 N9 G A 10 -0.119 3.727 6.354 1.00 0.00 N ATOM 300 C8 G A 10 1.175 3.390 6.054 1.00 0.00 C ATOM 301 N7 G A 10 1.452 3.451 4.782 1.00 0.00 N ATOM 302 C5 G A 10 0.254 3.857 4.201 1.00 0.00 C ATOM 303 C6 G A 10 -0.063 4.096 2.838 1.00 0.00 C ATOM 304 O6 G A 10 0.669 4.008 1.855 1.00 0.00 O ATOM 305 N1 G A 10 -1.379 4.484 2.683 1.00 0.00 N ATOM 306 C2 G A 10 -2.284 4.631 3.701 1.00 0.00 C ATOM 307 N2 G A 10 -3.507 5.014 3.367 1.00 0.00 N ATOM 308 N3 G A 10 -2.004 4.413 4.983 1.00 0.00 N ATOM 309 C4 G A 10 -0.718 4.029 5.158 1.00 0.00 C ATOM 0 H5' G A 10 2.487 3.807 10.272 1.00 0.00 H new ATOM 0 H5'' G A 10 2.592 2.120 9.811 1.00 0.00 H new ATOM 0 H4' G A 10 0.330 2.988 10.441 1.00 0.00 H new ATOM 0 H3' G A 10 0.825 1.412 7.909 1.00 0.00 H new ATOM 0 H2' G A 10 -1.589 1.714 7.290 1.00 0.00 H new ATOM 0 HO2' G A 10 -3.054 2.549 8.681 1.00 0.00 H new ATOM 0 H1' G A 10 -1.636 4.386 7.638 1.00 0.00 H new ATOM 0 H8 G A 10 1.898 3.101 6.802 1.00 0.00 H new ATOM 0 H1 G A 10 -1.703 4.676 1.735 1.00 0.00 H new ATOM 0 H21 G A 10 -4.217 5.138 4.088 1.00 0.00 H new ATOM 0 H22 G A 10 -3.738 5.185 2.388 1.00 0.00 H new ATOM 321 P G A 11 -0.347 -0.739 9.175 1.00 0.00 P ATOM 322 OP1 G A 11 -0.525 -1.561 10.394 1.00 0.00 O ATOM 323 OP2 G A 11 0.733 -1.067 8.216 1.00 0.00 O ATOM 324 O5' G A 11 -1.745 -0.722 8.368 1.00 0.00 O ATOM 325 C5' G A 11 -2.973 -0.401 9.038 1.00 0.00 C ATOM 326 C4' G A 11 -4.096 -0.093 8.049 1.00 0.00 C ATOM 327 O4' G A 11 -3.694 0.974 7.181 1.00 0.00 O ATOM 328 C3' G A 11 -4.436 -1.219 7.091 1.00 0.00 C ATOM 329 O3' G A 11 -5.424 -2.043 7.728 1.00 0.00 O ATOM 330 C2' G A 11 -5.126 -0.468 5.963 1.00 0.00 C ATOM 331 O2' G A 11 -6.460 -0.111 6.335 1.00 0.00 O ATOM 332 C1' G A 11 -4.242 0.779 5.860 1.00 0.00 C ATOM 333 N9 G A 11 -3.131 0.611 4.901 1.00 0.00 N ATOM 334 C8 G A 11 -1.826 0.270 5.154 1.00 0.00 C ATOM 335 N7 G A 11 -1.083 0.214 4.085 1.00 0.00 N ATOM 336 C5 G A 11 -1.953 0.540 3.051 1.00 0.00 C ATOM 337 C6 G A 11 -1.714 0.643 1.653 1.00 0.00 C ATOM 338 O6 G A 11 -0.664 0.470 1.043 1.00 0.00 O ATOM 339 N1 G A 11 -2.861 0.992 0.965 1.00 0.00 N ATOM 340 C2 G A 11 -4.085 1.219 1.540 1.00 0.00 C ATOM 341 N2 G A 11 -5.080 1.546 0.727 1.00 0.00 N ATOM 342 N3 G A 11 -4.326 1.130 2.847 1.00 0.00 N ATOM 343 C4 G A 11 -3.214 0.786 3.540 1.00 0.00 C ATOM 0 H5' G A 11 -2.817 0.458 9.690 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.268 -1.235 9.675 1.00 0.00 H new ATOM 0 H4' G A 11 -4.953 0.123 8.688 1.00 0.00 H new ATOM 0 H3' G A 11 -3.588 -1.831 6.783 1.00 0.00 H new ATOM 0 H2' G A 11 -5.223 -1.033 5.036 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.826 -0.794 6.935 1.00 0.00 H new ATOM 0 H1' G A 11 -4.833 1.623 5.505 1.00 0.00 H new ATOM 0 H8 G A 11 -1.450 0.067 6.146 1.00 0.00 H new ATOM 0 H1 G A 11 -2.792 1.088 -0.048 1.00 0.00 H new ATOM 0 H21 G A 11 -6.010 1.725 1.106 1.00 0.00 H new ATOM 0 H22 G A 11 -4.915 1.619 -0.277 1.00 0.00 H new ATOM 355 P U A 12 -5.384 -3.646 7.570 1.00 0.00 P ATOM 356 OP1 U A 12 -6.593 -4.206 8.217 1.00 0.00 O ATOM 357 OP2 U A 12 -4.042 -4.120 7.976 1.00 0.00 O ATOM 358 O5' U A 12 -5.523 -3.845 5.976 1.00 0.00 O ATOM 359 C5' U A 12 -6.764 -3.584 5.306 1.00 0.00 C ATOM 360 C4' U A 12 -6.569 -3.482 3.797 1.00 0.00 C ATOM 361 O4' U A 12 -5.692 -2.386 3.507 1.00 0.00 O ATOM 362 C3' U A 12 -5.882 -4.676 3.164 1.00 0.00 C ATOM 363 O3' U A 12 -6.904 -5.600 2.773 1.00 0.00 O ATOM 364 C2' U A 12 -5.289 -4.076 1.899 1.00 0.00 C ATOM 365 O2' U A 12 -6.295 -3.918 0.894 1.00 0.00 O ATOM 366 C1' U A 12 -4.816 -2.714 2.413 1.00 0.00 C ATOM 367 N1 U A 12 -3.426 -2.751 2.920 1.00 0.00 N ATOM 368 C2 U A 12 -2.408 -2.536 2.011 1.00 0.00 C ATOM 369 O2 U A 12 -2.616 -2.326 0.819 1.00 0.00 O ATOM 370 N3 U A 12 -1.128 -2.575 2.519 1.00 0.00 N ATOM 371 C4 U A 12 -0.781 -2.810 3.832 1.00 0.00 C ATOM 372 O4 U A 12 0.400 -2.829 4.158 1.00 0.00 O ATOM 373 C5 U A 12 -1.897 -3.026 4.721 1.00 0.00 C ATOM 374 C6 U A 12 -3.162 -2.991 4.243 1.00 0.00 C ATOM 0 H5' U A 12 -7.195 -2.656 5.683 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.475 -4.379 5.530 1.00 0.00 H new ATOM 0 H4' U A 12 -7.579 -3.385 3.399 1.00 0.00 H new ATOM 0 H3' U A 12 -5.157 -5.177 3.806 1.00 0.00 H new ATOM 0 H2' U A 12 -4.508 -4.679 1.436 1.00 0.00 H new ATOM 0 HO2' U A 12 -7.053 -4.506 1.094 1.00 0.00 H new ATOM 0 H1' U A 12 -4.839 -1.987 1.601 1.00 0.00 H new ATOM 0 H3 U A 12 -0.365 -2.415 1.861 1.00 0.00 H new ATOM 0 H5 U A 12 -1.722 -3.216 5.770 1.00 0.00 H new ATOM 0 H6 U A 12 -3.985 -3.157 4.922 1.00 0.00 H new ATOM 385 P C A 13 -6.992 -7.063 3.442 1.00 0.00 P ATOM 386 OP1 C A 13 -8.409 -7.491 3.439 1.00 0.00 O ATOM 387 OP2 C A 13 -6.228 -7.042 4.711 1.00 0.00 O ATOM 388 O5' C A 13 -6.183 -7.974 2.388 1.00 0.00 O ATOM 389 C5' C A 13 -6.824 -8.475 1.207 1.00 0.00 C ATOM 390 C4' C A 13 -5.808 -8.868 0.138 1.00 0.00 C ATOM 391 O4' C A 13 -5.043 -7.718 -0.238 1.00 0.00 O ATOM 392 C3' C A 13 -4.759 -9.863 0.588 1.00 0.00 C ATOM 393 O3' C A 13 -5.289 -11.177 0.357 1.00 0.00 O ATOM 394 C2' C A 13 -3.648 -9.625 -0.420 1.00 0.00 C ATOM 395 O2' C A 13 -3.955 -10.247 -1.671 1.00 0.00 O ATOM 396 C1' C A 13 -3.688 -8.099 -0.549 1.00 0.00 C ATOM 397 N1 C A 13 -2.774 -7.422 0.399 1.00 0.00 N ATOM 398 C2 C A 13 -1.495 -7.126 -0.044 1.00 0.00 C ATOM 399 O2 C A 13 -1.145 -7.425 -1.181 1.00 0.00 O ATOM 400 N3 C A 13 -0.636 -6.500 0.805 1.00 0.00 N ATOM 401 C4 C A 13 -1.019 -6.176 2.044 1.00 0.00 C ATOM 402 N4 C A 13 -0.131 -5.567 2.823 1.00 0.00 N ATOM 403 C5 C A 13 -2.336 -6.476 2.512 1.00 0.00 C ATOM 404 C6 C A 13 -3.177 -7.097 1.662 1.00 0.00 C ATOM 0 H5' C A 13 -7.497 -7.716 0.808 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.435 -9.340 1.464 1.00 0.00 H new ATOM 0 H4' C A 13 -6.414 -9.304 -0.656 1.00 0.00 H new ATOM 0 H3' C A 13 -4.452 -9.769 1.630 1.00 0.00 H new ATOM 0 H2' C A 13 -2.679 -10.028 -0.126 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.692 -10.881 -1.549 1.00 0.00 H new ATOM 0 H1' C A 13 -3.372 -7.807 -1.550 1.00 0.00 H new ATOM 0 H41 C A 13 -0.384 -5.303 3.775 1.00 0.00 H new ATOM 0 H42 C A 13 0.804 -5.363 2.469 1.00 0.00 H new ATOM 0 H5 C A 13 -2.646 -6.214 3.513 1.00 0.00 H new ATOM 0 H6 C A 13 -4.179 -7.340 1.983 1.00 0.00 H new ATOM 416 P C A 14 -5.377 -12.255 1.553 1.00 0.00 P ATOM 417 OP1 C A 14 -6.597 -13.069 1.357 1.00 0.00 O ATOM 418 OP2 C A 14 -5.160 -11.546 2.836 1.00 0.00 O ATOM 419 O5' C A 14 -4.092 -13.190 1.280 1.00 0.00 O ATOM 420 C5' C A 14 -4.005 -13.996 0.096 1.00 0.00 C ATOM 421 C4' C A 14 -2.603 -13.954 -0.503 1.00 0.00 C ATOM 422 O4' C A 14 -2.247 -12.592 -0.771 1.00 0.00 O ATOM 423 C3' C A 14 -1.499 -14.449 0.418 1.00 0.00 C ATOM 424 O3' C A 14 -1.378 -15.874 0.357 1.00 0.00 O ATOM 425 C2' C A 14 -0.284 -13.774 -0.204 1.00 0.00 C ATOM 426 O2' C A 14 0.112 -14.452 -1.402 1.00 0.00 O ATOM 427 C1' C A 14 -0.847 -12.388 -0.529 1.00 0.00 C ATOM 428 N1 C A 14 -0.692 -11.432 0.590 1.00 0.00 N ATOM 429 C2 C A 14 0.371 -10.541 0.539 1.00 0.00 C ATOM 430 O2 C A 14 1.160 -10.566 -0.402 1.00 0.00 O ATOM 431 N3 C A 14 0.523 -9.648 1.553 1.00 0.00 N ATOM 432 C4 C A 14 -0.334 -9.628 2.579 1.00 0.00 C ATOM 433 N4 C A 14 -0.128 -8.731 3.538 1.00 0.00 N ATOM 434 C5 C A 14 -1.432 -10.540 2.642 1.00 0.00 C ATOM 435 C6 C A 14 -1.575 -11.420 1.635 1.00 0.00 C ATOM 0 H5' C A 14 -4.728 -13.644 -0.640 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.270 -15.026 0.335 1.00 0.00 H new ATOM 0 H4' C A 14 -2.663 -14.599 -1.379 1.00 0.00 H new ATOM 0 H3' C A 14 -1.655 -14.223 1.473 1.00 0.00 H new ATOM 0 H2' C A 14 0.601 -13.763 0.433 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.250 -15.363 -1.398 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.660 -16.167 0.957 1.00 0.00 H new ATOM 0 H1' C A 14 -0.313 -11.962 -1.378 1.00 0.00 H new ATOM 0 H41 C A 14 -0.760 -8.685 4.337 1.00 0.00 H new ATOM 0 H42 C A 14 0.662 -8.089 3.475 1.00 0.00 H new ATOM 0 H5 C A 14 -2.124 -10.523 3.471 1.00 0.00 H new ATOM 0 H6 C A 14 -2.394 -12.124 1.651 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 3.841 -0.849 2.388 1.00 0.00 CO HETATM 450 N1 NCO A 15 3.802 -1.390 0.477 1.00 0.00 N HETATM 451 N2 NCO A 15 3.879 -0.307 4.300 1.00 0.00 N HETATM 452 N3 NCO A 15 4.223 1.025 1.850 1.00 0.00 N HETATM 453 N4 NCO A 15 3.459 -2.723 2.926 1.00 0.00 N HETATM 454 N5 NCO A 15 5.791 -1.228 2.455 1.00 0.00 N HETATM 455 N6 NCO A 15 1.892 -0.472 2.320 1.00 0.00 N