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 -17:sc= 0.362 USER MOD Single : A 1 G O5' : rot 8:sc= 0.032 USER MOD Single : A 2 G O2' : rot -7:sc= -1.41! USER MOD Single : A 3 G O2' : rot -15:sc= 0.295 USER MOD Single : A 4 U O2' : rot -25:sc= 0.276 USER MOD Single : A 5 C O2' : rot -25:sc= 0.273 USER MOD Single : A 6 U O2' : rot -20:sc= -0.6 USER MOD Single : A 7 U O2' : rot -138:sc= -2.04! USER MOD Single : A 8 C O2' : rot 32:sc= 0.219 USER MOD Single : A 9 G O2' : rot -18:sc= 0.309 USER MOD Single : A 10 G O2' : rot -16:sc= 0.043 USER MOD Single : A 11 G O2' : rot -20:sc= 0.273 USER MOD Single : A 12 U O2' : rot -26:sc= 0.279 USER MOD Single : A 13 C O2' : rot -24:sc= 0.34 USER MOD Single : A 14 C O2' : rot -21:sc= 0.116 USER MOD Single : A 14 C O3' : rot 180:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 10.913 -4.529 3.418 1.00 0.00 O ATOM 2 C5' G A 1 10.071 -5.672 3.601 1.00 0.00 C ATOM 3 C4' G A 1 9.705 -6.317 2.271 1.00 0.00 C ATOM 4 O4' G A 1 8.792 -7.387 2.495 1.00 0.00 O ATOM 5 C3' G A 1 8.968 -5.416 1.306 1.00 0.00 C ATOM 6 O3' G A 1 9.955 -4.720 0.532 1.00 0.00 O ATOM 7 C2' G A 1 8.271 -6.412 0.390 1.00 0.00 C ATOM 8 O2' G A 1 9.179 -6.886 -0.607 1.00 0.00 O ATOM 9 C1' G A 1 7.913 -7.539 1.366 1.00 0.00 C ATOM 10 N9 G A 1 6.546 -7.397 1.878 1.00 0.00 N ATOM 11 C8 G A 1 6.156 -6.759 3.020 1.00 0.00 C ATOM 12 N7 G A 1 4.870 -6.784 3.225 1.00 0.00 N ATOM 13 C5 G A 1 4.374 -7.496 2.135 1.00 0.00 C ATOM 14 C6 G A 1 3.038 -7.849 1.805 1.00 0.00 C ATOM 15 O6 G A 1 2.006 -7.596 2.420 1.00 0.00 O ATOM 16 N1 G A 1 2.978 -8.563 0.624 1.00 0.00 N ATOM 17 C2 G A 1 4.059 -8.902 -0.148 1.00 0.00 C ATOM 18 N2 G A 1 3.812 -9.591 -1.254 1.00 0.00 N ATOM 19 N3 G A 1 5.316 -8.580 0.144 1.00 0.00 N ATOM 20 C4 G A 1 5.398 -7.878 1.300 1.00 0.00 C ATOM 0 H5' G A 1 9.162 -5.375 4.124 1.00 0.00 H new ATOM 0 H5'' G A 1 10.579 -6.401 4.232 1.00 0.00 H new ATOM 0 H4' G A 1 10.666 -6.607 1.846 1.00 0.00 H new ATOM 0 H3' G A 1 8.296 -4.699 1.777 1.00 0.00 H new ATOM 0 H2' G A 1 7.416 -6.002 -0.148 1.00 0.00 H new ATOM 0 HO2' G A 1 9.952 -6.286 -0.657 1.00 0.00 H new ATOM 0 HO5' G A 1 10.978 -4.320 2.463 1.00 0.00 H new ATOM 0 H1' G A 1 8.003 -8.499 0.857 1.00 0.00 H new ATOM 0 H8 G A 1 6.851 -6.277 3.692 1.00 0.00 H new ATOM 0 H1 G A 1 2.058 -8.861 0.301 1.00 0.00 H new ATOM 0 H21 G A 1 4.581 -9.869 -1.864 1.00 0.00 H new ATOM 0 H22 G A 1 2.853 -9.843 -1.494 1.00 0.00 H new ATOM 33 P G A 2 9.742 -3.174 0.130 1.00 0.00 P ATOM 34 OP1 G A 2 11.053 -2.618 -0.275 1.00 0.00 O ATOM 35 OP2 G A 2 8.964 -2.516 1.204 1.00 0.00 O ATOM 36 O5' G A 2 8.807 -3.275 -1.179 1.00 0.00 O ATOM 37 C5' G A 2 9.367 -3.607 -2.455 1.00 0.00 C ATOM 38 C4' G A 2 8.311 -4.131 -3.424 1.00 0.00 C ATOM 39 O4' G A 2 7.647 -5.261 -2.841 1.00 0.00 O ATOM 40 C3' G A 2 7.175 -3.172 -3.731 1.00 0.00 C ATOM 41 O3' G A 2 7.567 -2.369 -4.851 1.00 0.00 O ATOM 42 C2' G A 2 6.087 -4.121 -4.202 1.00 0.00 C ATOM 43 O2' G A 2 6.346 -4.581 -5.532 1.00 0.00 O ATOM 44 C1' G A 2 6.250 -5.258 -3.195 1.00 0.00 C ATOM 45 N9 G A 2 5.476 -5.017 -1.969 1.00 0.00 N ATOM 46 C8 G A 2 5.876 -4.364 -0.838 1.00 0.00 C ATOM 47 N7 G A 2 4.956 -4.296 0.082 1.00 0.00 N ATOM 48 C5 G A 2 3.869 -4.954 -0.485 1.00 0.00 C ATOM 49 C6 G A 2 2.572 -5.201 0.041 1.00 0.00 C ATOM 50 O6 G A 2 2.117 -4.884 1.137 1.00 0.00 O ATOM 51 N1 G A 2 1.783 -5.893 -0.856 1.00 0.00 N ATOM 52 C2 G A 2 2.181 -6.301 -2.105 1.00 0.00 C ATOM 53 N2 G A 2 1.290 -6.949 -2.840 1.00 0.00 N ATOM 54 N3 G A 2 3.389 -6.080 -2.612 1.00 0.00 N ATOM 55 C4 G A 2 4.180 -5.400 -1.746 1.00 0.00 C ATOM 0 H5' G A 2 10.145 -4.359 -2.325 1.00 0.00 H new ATOM 0 H5'' G A 2 9.845 -2.725 -2.882 1.00 0.00 H new ATOM 0 H4' G A 2 8.874 -4.334 -4.335 1.00 0.00 H new ATOM 0 H3' G A 2 6.890 -2.524 -2.902 1.00 0.00 H new ATOM 0 H2' G A 2 5.090 -3.683 -4.242 1.00 0.00 H new ATOM 0 HO2' G A 2 7.119 -4.103 -5.899 1.00 0.00 H new ATOM 0 H1' G A 2 5.902 -6.195 -3.630 1.00 0.00 H new ATOM 0 H8 G A 2 6.863 -3.943 -0.718 1.00 0.00 H new ATOM 0 H1 G A 2 0.831 -6.119 -0.569 1.00 0.00 H new ATOM 0 H21 G A 2 1.538 -7.272 -3.775 1.00 0.00 H new ATOM 0 H22 G A 2 0.355 -7.125 -2.471 1.00 0.00 H new ATOM 67 P G A 3 6.819 -0.973 -5.158 1.00 0.00 P ATOM 68 OP1 G A 3 7.400 -0.398 -6.392 1.00 0.00 O ATOM 69 OP2 G A 3 6.798 -0.175 -3.912 1.00 0.00 O ATOM 70 O5' G A 3 5.311 -1.443 -5.480 1.00 0.00 O ATOM 71 C5' G A 3 5.010 -2.161 -6.681 1.00 0.00 C ATOM 72 C4' G A 3 3.585 -2.711 -6.677 1.00 0.00 C ATOM 73 O4' G A 3 3.398 -3.575 -5.551 1.00 0.00 O ATOM 74 C3' G A 3 2.494 -1.681 -6.494 1.00 0.00 C ATOM 75 O3' G A 3 2.190 -1.133 -7.785 1.00 0.00 O ATOM 76 C2' G A 3 1.318 -2.553 -6.072 1.00 0.00 C ATOM 77 O2' G A 3 0.742 -3.214 -7.205 1.00 0.00 O ATOM 78 C1' G A 3 2.012 -3.567 -5.152 1.00 0.00 C ATOM 79 N9 G A 3 1.917 -3.188 -3.728 1.00 0.00 N ATOM 80 C8 G A 3 2.864 -2.605 -2.926 1.00 0.00 C ATOM 81 N7 G A 3 2.458 -2.389 -1.706 1.00 0.00 N ATOM 82 C5 G A 3 1.150 -2.862 -1.699 1.00 0.00 C ATOM 83 C6 G A 3 0.194 -2.895 -0.646 1.00 0.00 C ATOM 84 O6 G A 3 0.315 -2.507 0.512 1.00 0.00 O ATOM 85 N1 G A 3 -1.000 -3.451 -1.061 1.00 0.00 N ATOM 86 C2 G A 3 -1.254 -3.920 -2.325 1.00 0.00 C ATOM 87 N2 G A 3 -2.459 -4.425 -2.549 1.00 0.00 N ATOM 88 N3 G A 3 -0.371 -3.898 -3.319 1.00 0.00 N ATOM 89 C4 G A 3 0.808 -3.354 -2.934 1.00 0.00 C ATOM 0 H5' G A 3 5.716 -2.983 -6.798 1.00 0.00 H new ATOM 0 H5'' G A 3 5.142 -1.503 -7.540 1.00 0.00 H new ATOM 0 H4' G A 3 3.498 -3.184 -7.655 1.00 0.00 H new ATOM 0 H3' G A 3 2.737 -0.873 -5.804 1.00 0.00 H new ATOM 0 H2' G A 3 0.499 -2.005 -5.605 1.00 0.00 H new ATOM 0 HO2' G A 3 1.056 -2.785 -8.028 1.00 0.00 H new ATOM 0 H1' G A 3 1.536 -4.543 -5.247 1.00 0.00 H new ATOM 0 H8 G A 3 3.854 -2.349 -3.273 1.00 0.00 H new ATOM 0 H1 G A 3 -1.751 -3.518 -0.374 1.00 0.00 H new ATOM 0 H21 G A 3 -2.697 -4.787 -3.473 1.00 0.00 H new ATOM 0 H22 G A 3 -3.148 -4.452 -1.798 1.00 0.00 H new ATOM 101 P U A 4 1.593 0.356 -7.925 1.00 0.00 P ATOM 102 OP1 U A 4 1.113 0.538 -9.314 1.00 0.00 O ATOM 103 OP2 U A 4 2.576 1.304 -7.353 1.00 0.00 O ATOM 104 O5' U A 4 0.313 0.316 -6.945 1.00 0.00 O ATOM 105 C5' U A 4 -0.931 -0.245 -7.386 1.00 0.00 C ATOM 106 C4' U A 4 -1.968 -0.256 -6.267 1.00 0.00 C ATOM 107 O4' U A 4 -1.509 -1.089 -5.195 1.00 0.00 O ATOM 108 C3' U A 4 -2.200 1.084 -5.600 1.00 0.00 C ATOM 109 O3' U A 4 -3.213 1.769 -6.345 1.00 0.00 O ATOM 110 C2' U A 4 -2.798 0.668 -4.268 1.00 0.00 C ATOM 111 O2' U A 4 -4.166 0.277 -4.423 1.00 0.00 O ATOM 112 C1' U A 4 -1.923 -0.541 -3.927 1.00 0.00 C ATOM 113 N1 U A 4 -0.717 -0.164 -3.156 1.00 0.00 N ATOM 114 C2 U A 4 -0.833 -0.097 -1.782 1.00 0.00 C ATOM 115 O2 U A 4 -1.886 -0.330 -1.195 1.00 0.00 O ATOM 116 N3 U A 4 0.307 0.256 -1.096 1.00 0.00 N ATOM 117 C4 U A 4 1.534 0.546 -1.652 1.00 0.00 C ATOM 118 O4 U A 4 2.473 0.862 -0.930 1.00 0.00 O ATOM 119 C5 U A 4 1.580 0.456 -3.092 1.00 0.00 C ATOM 120 C6 U A 4 0.470 0.111 -3.787 1.00 0.00 C ATOM 0 H5' U A 4 -0.767 -1.262 -7.741 1.00 0.00 H new ATOM 0 H5'' U A 4 -1.311 0.330 -8.230 1.00 0.00 H new ATOM 0 H4' U A 4 -2.882 -0.591 -6.758 1.00 0.00 H new ATOM 0 H3' U A 4 -1.317 1.718 -5.522 1.00 0.00 H new ATOM 0 H2' U A 4 -2.808 1.452 -3.510 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.545 0.717 -5.213 1.00 0.00 H new ATOM 0 H1' U A 4 -2.484 -1.244 -3.312 1.00 0.00 H new ATOM 0 H3 U A 4 0.237 0.308 -0.080 1.00 0.00 H new ATOM 0 H5 U A 4 2.501 0.664 -3.616 1.00 0.00 H new ATOM 0 H6 U A 4 0.520 0.051 -4.864 1.00 0.00 H new ATOM 131 P C A 5 -2.951 3.259 -6.904 1.00 0.00 P ATOM 132 OP1 C A 5 -3.832 3.479 -8.073 1.00 0.00 O ATOM 133 OP2 C A 5 -1.488 3.456 -7.034 1.00 0.00 O ATOM 134 O5' C A 5 -3.473 4.181 -5.689 1.00 0.00 O ATOM 135 C5' C A 5 -4.870 4.476 -5.546 1.00 0.00 C ATOM 136 C4' C A 5 -5.211 4.944 -4.135 1.00 0.00 C ATOM 137 O4' C A 5 -4.845 3.933 -3.190 1.00 0.00 O ATOM 138 C3' C A 5 -4.446 6.159 -3.653 1.00 0.00 C ATOM 139 O3' C A 5 -5.154 7.324 -4.098 1.00 0.00 O ATOM 140 C2' C A 5 -4.628 6.051 -2.149 1.00 0.00 C ATOM 141 O2' C A 5 -5.943 6.466 -1.765 1.00 0.00 O ATOM 142 C1' C A 5 -4.457 4.542 -1.941 1.00 0.00 C ATOM 143 N1 C A 5 -3.060 4.167 -1.637 1.00 0.00 N ATOM 144 C2 C A 5 -2.687 4.117 -0.302 1.00 0.00 C ATOM 145 O2 C A 5 -3.494 4.389 0.582 1.00 0.00 O ATOM 146 N3 C A 5 -1.411 3.771 0.008 1.00 0.00 N ATOM 147 C4 C A 5 -0.529 3.484 -0.953 1.00 0.00 C ATOM 148 N4 C A 5 0.704 3.161 -0.578 1.00 0.00 N ATOM 149 C5 C A 5 -0.900 3.532 -2.333 1.00 0.00 C ATOM 150 C6 C A 5 -2.168 3.877 -2.630 1.00 0.00 C ATOM 0 H5' C A 5 -5.455 3.588 -5.785 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.153 5.247 -6.263 1.00 0.00 H new ATOM 0 H4' C A 5 -6.275 5.172 -4.193 1.00 0.00 H new ATOM 0 H3' C A 5 -3.410 6.215 -3.988 1.00 0.00 H new ATOM 0 H2' C A 5 -3.945 6.670 -1.567 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.299 7.086 -2.435 1.00 0.00 H new ATOM 0 H1' C A 5 -5.058 4.213 -1.093 1.00 0.00 H new ATOM 0 H41 C A 5 1.408 2.935 -1.281 1.00 0.00 H new ATOM 0 H42 C A 5 0.947 3.139 0.413 1.00 0.00 H new ATOM 0 H5 C A 5 -0.188 3.300 -3.111 1.00 0.00 H new ATOM 0 H6 C A 5 -2.482 3.925 -3.662 1.00 0.00 H new ATOM 162 P U A 6 -4.368 8.701 -4.390 1.00 0.00 P ATOM 163 OP1 U A 6 -5.329 9.673 -4.958 1.00 0.00 O ATOM 164 OP2 U A 6 -3.124 8.379 -5.124 1.00 0.00 O ATOM 165 O5' U A 6 -3.960 9.195 -2.910 1.00 0.00 O ATOM 166 C5' U A 6 -4.942 9.739 -2.017 1.00 0.00 C ATOM 167 C4' U A 6 -4.411 9.829 -0.589 1.00 0.00 C ATOM 168 O4' U A 6 -4.017 8.522 -0.148 1.00 0.00 O ATOM 169 C3' U A 6 -3.159 10.672 -0.423 1.00 0.00 C ATOM 170 O3' U A 6 -3.590 12.002 -0.108 1.00 0.00 O ATOM 171 C2' U A 6 -2.525 10.083 0.828 1.00 0.00 C ATOM 172 O2' U A 6 -3.163 10.592 2.002 1.00 0.00 O ATOM 173 C1' U A 6 -2.822 8.593 0.651 1.00 0.00 C ATOM 174 N1 U A 6 -1.742 7.874 -0.059 1.00 0.00 N ATOM 175 C2 U A 6 -0.891 7.086 0.695 1.00 0.00 C ATOM 176 O2 U A 6 -0.995 6.972 1.913 1.00 0.00 O ATOM 177 N3 U A 6 0.093 6.422 -0.003 1.00 0.00 N ATOM 178 C4 U A 6 0.300 6.471 -1.365 1.00 0.00 C ATOM 179 O4 U A 6 1.208 5.822 -1.869 1.00 0.00 O ATOM 180 C5 U A 6 -0.625 7.313 -2.086 1.00 0.00 C ATOM 181 C6 U A 6 -1.600 7.977 -1.419 1.00 0.00 C ATOM 0 H5' U A 6 -5.836 9.116 -2.035 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.237 10.731 -2.360 1.00 0.00 H new ATOM 0 H4' U A 6 -5.227 10.280 -0.025 1.00 0.00 H new ATOM 0 H3' U A 6 -2.500 10.685 -1.291 1.00 0.00 H new ATOM 0 H2' U A 6 -1.466 10.314 0.945 1.00 0.00 H new ATOM 0 HO2' U A 6 -3.631 11.425 1.785 1.00 0.00 H new ATOM 0 H1' U A 6 -2.922 8.126 1.631 1.00 0.00 H new ATOM 0 H3 U A 6 0.729 5.838 0.540 1.00 0.00 H new ATOM 0 H5 U A 6 -0.540 7.414 -3.158 1.00 0.00 H new ATOM 0 H6 U A 6 -2.283 8.604 -1.973 1.00 0.00 H new ATOM 192 P U A 7 -2.595 13.261 -0.266 1.00 0.00 P ATOM 193 OP1 U A 7 -3.411 14.469 -0.512 1.00 0.00 O ATOM 194 OP2 U A 7 -1.515 12.888 -1.209 1.00 0.00 O ATOM 195 O5' U A 7 -1.962 13.369 1.211 1.00 0.00 O ATOM 196 C5' U A 7 -1.383 14.593 1.679 1.00 0.00 C ATOM 197 C4' U A 7 -1.303 14.630 3.204 1.00 0.00 C ATOM 198 O4' U A 7 -2.632 14.590 3.751 1.00 0.00 O ATOM 199 C3' U A 7 -0.576 13.437 3.825 1.00 0.00 C ATOM 200 O3' U A 7 0.046 13.895 5.032 1.00 0.00 O ATOM 201 C2' U A 7 -1.704 12.497 4.220 1.00 0.00 C ATOM 202 O2' U A 7 -1.309 11.656 5.307 1.00 0.00 O ATOM 203 C1' U A 7 -2.768 13.491 4.659 1.00 0.00 C ATOM 204 N1 U A 7 -4.136 12.945 4.551 1.00 0.00 N ATOM 205 C2 U A 7 -4.831 12.718 5.725 1.00 0.00 C ATOM 206 O2 U A 7 -4.364 12.967 6.834 1.00 0.00 O ATOM 207 N3 U A 7 -6.098 12.197 5.586 1.00 0.00 N ATOM 208 C4 U A 7 -6.726 11.888 4.400 1.00 0.00 C ATOM 209 O4 U A 7 -7.865 11.431 4.411 1.00 0.00 O ATOM 210 C5 U A 7 -5.942 12.154 3.216 1.00 0.00 C ATOM 211 C6 U A 7 -4.692 12.666 3.329 1.00 0.00 C ATOM 0 H5' U A 7 -1.976 15.436 1.325 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.384 14.708 1.259 1.00 0.00 H new ATOM 0 H4' U A 7 -0.754 15.542 3.436 1.00 0.00 H new ATOM 0 H3' U A 7 0.164 12.982 3.167 1.00 0.00 H new ATOM 0 H2' U A 7 -2.022 11.814 3.432 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.626 10.743 5.146 1.00 0.00 H new ATOM 0 H1' U A 7 -2.630 13.760 5.706 1.00 0.00 H new ATOM 0 H3 U A 7 -6.622 12.023 6.444 1.00 0.00 H new ATOM 0 H5 U A 7 -6.353 11.945 2.239 1.00 0.00 H new ATOM 0 H6 U A 7 -4.119 12.859 2.434 1.00 0.00 H new ATOM 222 P C A 8 1.647 13.808 5.202 1.00 0.00 P ATOM 223 OP1 C A 8 1.973 13.992 6.634 1.00 0.00 O ATOM 224 OP2 C A 8 2.265 14.687 4.184 1.00 0.00 O ATOM 225 O5' C A 8 1.960 12.277 4.799 1.00 0.00 O ATOM 226 C5' C A 8 1.549 11.198 5.651 1.00 0.00 C ATOM 227 C4' C A 8 1.996 9.841 5.111 1.00 0.00 C ATOM 228 O4' C A 8 1.336 9.576 3.862 1.00 0.00 O ATOM 229 C3' C A 8 3.493 9.731 4.809 1.00 0.00 C ATOM 230 O3' C A 8 3.870 8.363 5.035 1.00 0.00 O ATOM 231 C2' C A 8 3.568 9.989 3.310 1.00 0.00 C ATOM 232 O2' C A 8 4.728 9.374 2.743 1.00 0.00 O ATOM 233 C1' C A 8 2.297 9.293 2.841 1.00 0.00 C ATOM 234 N1 C A 8 1.791 9.817 1.556 1.00 0.00 N ATOM 235 C2 C A 8 1.843 8.981 0.450 1.00 0.00 C ATOM 236 O2 C A 8 2.314 7.851 0.550 1.00 0.00 O ATOM 237 N3 C A 8 1.359 9.437 -0.739 1.00 0.00 N ATOM 238 C4 C A 8 0.844 10.667 -0.836 1.00 0.00 C ATOM 239 N4 C A 8 0.376 11.050 -2.019 1.00 0.00 N ATOM 240 C5 C A 8 0.788 11.535 0.297 1.00 0.00 C ATOM 241 C6 C A 8 1.268 11.073 1.465 1.00 0.00 C ATOM 0 H5' C A 8 0.464 11.209 5.752 1.00 0.00 H new ATOM 0 H5'' C A 8 1.963 11.346 6.648 1.00 0.00 H new ATOM 0 H4' C A 8 1.745 9.137 5.904 1.00 0.00 H new ATOM 0 H3' C A 8 4.119 10.399 5.401 1.00 0.00 H new ATOM 0 H2' C A 8 3.640 11.040 3.031 1.00 0.00 H new ATOM 0 HO2' C A 8 4.935 8.552 3.234 1.00 0.00 H new ATOM 0 H1' C A 8 2.486 8.231 2.681 1.00 0.00 H new ATOM 0 H41 C A 8 -0.024 11.981 -2.132 1.00 0.00 H new ATOM 0 H42 C A 8 0.417 10.413 -2.814 1.00 0.00 H new ATOM 0 H5 C A 8 0.374 12.529 0.218 1.00 0.00 H new ATOM 0 H6 C A 8 1.239 11.704 2.341 1.00 0.00 H new ATOM 253 P G A 9 5.075 7.989 6.045 1.00 0.00 P ATOM 254 OP1 G A 9 5.983 9.155 6.138 1.00 0.00 O ATOM 255 OP2 G A 9 5.616 6.669 5.648 1.00 0.00 O ATOM 256 O5' G A 9 4.326 7.819 7.464 1.00 0.00 O ATOM 257 C5' G A 9 3.538 8.885 8.013 1.00 0.00 C ATOM 258 C4' G A 9 2.555 8.382 9.065 1.00 0.00 C ATOM 259 O4' G A 9 1.482 9.327 9.187 1.00 0.00 O ATOM 260 C3' G A 9 1.843 7.087 8.719 1.00 0.00 C ATOM 261 O3' G A 9 2.651 6.009 9.207 1.00 0.00 O ATOM 262 C2' G A 9 0.602 7.167 9.592 1.00 0.00 C ATOM 263 O2' G A 9 0.922 6.846 10.950 1.00 0.00 O ATOM 264 C1' G A 9 0.240 8.647 9.457 1.00 0.00 C ATOM 265 N9 G A 9 -0.711 8.910 8.351 1.00 0.00 N ATOM 266 C8 G A 9 -1.847 9.676 8.375 1.00 0.00 C ATOM 267 N7 G A 9 -2.486 9.710 7.240 1.00 0.00 N ATOM 268 C5 G A 9 -1.719 8.910 6.398 1.00 0.00 C ATOM 269 C6 G A 9 -1.916 8.570 5.030 1.00 0.00 C ATOM 270 O6 G A 9 -2.829 8.906 4.280 1.00 0.00 O ATOM 271 N1 G A 9 -0.913 7.744 4.560 1.00 0.00 N ATOM 272 C2 G A 9 0.147 7.293 5.306 1.00 0.00 C ATOM 273 N2 G A 9 1.023 6.508 4.695 1.00 0.00 N ATOM 274 N3 G A 9 0.344 7.600 6.585 1.00 0.00 N ATOM 275 C4 G A 9 -0.626 8.413 7.067 1.00 0.00 C ATOM 0 H5' G A 9 2.990 9.381 7.212 1.00 0.00 H new ATOM 0 H5'' G A 9 4.196 9.631 8.458 1.00 0.00 H new ATOM 0 H4' G A 9 3.167 8.238 9.955 1.00 0.00 H new ATOM 0 H3' G A 9 1.642 6.944 7.657 1.00 0.00 H new ATOM 0 H2' G A 9 -0.196 6.481 9.308 1.00 0.00 H new ATOM 0 HO2' G A 9 1.782 6.377 10.981 1.00 0.00 H new ATOM 0 H1' G A 9 -0.252 8.990 10.367 1.00 0.00 H new ATOM 0 H8 G A 9 -2.182 10.204 9.255 1.00 0.00 H new ATOM 0 H1 G A 9 -0.964 7.447 3.585 1.00 0.00 H new ATOM 0 H21 G A 9 1.828 6.147 5.207 1.00 0.00 H new ATOM 0 H22 G A 9 0.892 6.265 3.713 1.00 0.00 H new ATOM 287 P G A 10 3.204 4.871 8.208 1.00 0.00 P ATOM 288 OP1 G A 10 4.607 4.572 8.578 1.00 0.00 O ATOM 289 OP2 G A 10 2.877 5.267 6.818 1.00 0.00 O ATOM 290 O5' G A 10 2.300 3.585 8.590 1.00 0.00 O ATOM 291 C5' G A 10 1.631 3.507 9.858 1.00 0.00 C ATOM 292 C4' G A 10 0.116 3.627 9.712 1.00 0.00 C ATOM 293 O4' G A 10 -0.159 4.653 8.748 1.00 0.00 O ATOM 294 C3' G A 10 -0.571 2.396 9.141 1.00 0.00 C ATOM 295 O3' G A 10 -1.031 1.600 10.243 1.00 0.00 O ATOM 296 C2' G A 10 -1.793 2.986 8.463 1.00 0.00 C ATOM 297 O2' G A 10 -2.785 3.344 9.431 1.00 0.00 O ATOM 298 C1' G A 10 -1.183 4.231 7.834 1.00 0.00 C ATOM 299 N9 G A 10 -0.520 3.914 6.559 1.00 0.00 N ATOM 300 C8 G A 10 0.697 3.309 6.376 1.00 0.00 C ATOM 301 N7 G A 10 1.014 3.136 5.124 1.00 0.00 N ATOM 302 C5 G A 10 -0.071 3.665 4.431 1.00 0.00 C ATOM 303 C6 G A 10 -0.299 3.762 3.032 1.00 0.00 C ATOM 304 O6 G A 10 0.425 3.399 2.110 1.00 0.00 O ATOM 305 N1 G A 10 -1.513 4.361 2.758 1.00 0.00 N ATOM 306 C2 G A 10 -2.401 4.814 3.697 1.00 0.00 C ATOM 307 N2 G A 10 -3.515 5.372 3.250 1.00 0.00 N ATOM 308 N3 G A 10 -2.203 4.733 5.011 1.00 0.00 N ATOM 309 C4 G A 10 -1.017 4.147 5.303 1.00 0.00 C ATOM 0 H5' G A 10 1.997 4.300 10.510 1.00 0.00 H new ATOM 0 H5'' G A 10 1.875 2.560 10.339 1.00 0.00 H new ATOM 0 H4' G A 10 -0.254 3.810 10.721 1.00 0.00 H new ATOM 0 H3' G A 10 0.061 1.793 8.489 1.00 0.00 H new ATOM 0 H2' G A 10 -2.298 2.318 7.765 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.579 2.912 10.286 1.00 0.00 H new ATOM 0 H1' G A 10 -1.954 4.978 7.649 1.00 0.00 H new ATOM 0 H8 G A 10 1.334 3.004 7.194 1.00 0.00 H new ATOM 0 H1 G A 10 -1.769 4.475 1.777 1.00 0.00 H new ATOM 0 H21 G A 10 -4.209 5.725 3.909 1.00 0.00 H new ATOM 0 H22 G A 10 -3.680 5.449 2.246 1.00 0.00 H new ATOM 321 P G A 11 -1.242 0.009 10.077 1.00 0.00 P ATOM 322 OP1 G A 11 -1.745 -0.525 11.363 1.00 0.00 O ATOM 323 OP2 G A 11 -0.019 -0.560 9.472 1.00 0.00 O ATOM 324 O5' G A 11 -2.431 -0.082 8.992 1.00 0.00 O ATOM 325 C5' G A 11 -3.780 0.245 9.353 1.00 0.00 C ATOM 326 C4' G A 11 -4.695 0.318 8.132 1.00 0.00 C ATOM 327 O4' G A 11 -4.181 1.271 7.196 1.00 0.00 O ATOM 328 C3' G A 11 -4.785 -0.950 7.308 1.00 0.00 C ATOM 329 O3' G A 11 -5.791 -1.784 7.899 1.00 0.00 O ATOM 330 C2' G A 11 -5.341 -0.417 5.995 1.00 0.00 C ATOM 331 O2' G A 11 -6.745 -0.168 6.107 1.00 0.00 O ATOM 332 C1' G A 11 -4.568 0.901 5.856 1.00 0.00 C ATOM 333 N9 G A 11 -3.355 0.759 5.025 1.00 0.00 N ATOM 334 C8 G A 11 -2.038 0.782 5.412 1.00 0.00 C ATOM 335 N7 G A 11 -1.200 0.638 4.422 1.00 0.00 N ATOM 336 C5 G A 11 -2.017 0.510 3.305 1.00 0.00 C ATOM 337 C6 G A 11 -1.675 0.326 1.937 1.00 0.00 C ATOM 338 O6 G A 11 -0.560 0.241 1.429 1.00 0.00 O ATOM 339 N1 G A 11 -2.799 0.241 1.139 1.00 0.00 N ATOM 340 C2 G A 11 -4.093 0.325 1.587 1.00 0.00 C ATOM 341 N2 G A 11 -5.052 0.220 0.679 1.00 0.00 N ATOM 342 N3 G A 11 -4.430 0.499 2.862 1.00 0.00 N ATOM 343 C4 G A 11 -3.341 0.581 3.664 1.00 0.00 C ATOM 0 H5' G A 11 -3.794 1.202 9.875 1.00 0.00 H new ATOM 0 H5'' G A 11 -4.161 -0.503 10.048 1.00 0.00 H new ATOM 0 H4' G A 11 -5.668 0.555 8.563 1.00 0.00 H new ATOM 0 H3' G A 11 -3.854 -1.510 7.222 1.00 0.00 H new ATOM 0 H2' G A 11 -5.229 -1.096 5.150 1.00 0.00 H new ATOM 0 HO2' G A 11 -7.107 -0.671 6.866 1.00 0.00 H new ATOM 0 H1' G A 11 -5.194 1.648 5.368 1.00 0.00 H new ATOM 0 H8 G A 11 -1.725 0.907 6.438 1.00 0.00 H new ATOM 0 H1 G A 11 -2.656 0.105 0.138 1.00 0.00 H new ATOM 0 H21 G A 11 -6.030 0.276 0.962 1.00 0.00 H new ATOM 0 H22 G A 11 -4.812 0.083 -0.303 1.00 0.00 H new ATOM 355 P U A 12 -5.691 -3.390 7.795 1.00 0.00 P ATOM 356 OP1 U A 12 -6.940 -3.969 8.343 1.00 0.00 O ATOM 357 OP2 U A 12 -4.382 -3.810 8.341 1.00 0.00 O ATOM 358 O5' U A 12 -5.673 -3.639 6.202 1.00 0.00 O ATOM 359 C5' U A 12 -6.880 -3.569 5.433 1.00 0.00 C ATOM 360 C4' U A 12 -6.600 -3.702 3.938 1.00 0.00 C ATOM 361 O4' U A 12 -5.761 -2.622 3.513 1.00 0.00 O ATOM 362 C3' U A 12 -5.819 -4.940 3.545 1.00 0.00 C ATOM 363 O3' U A 12 -6.770 -5.983 3.286 1.00 0.00 O ATOM 364 C2' U A 12 -5.211 -4.524 2.216 1.00 0.00 C ATOM 365 O2' U A 12 -6.185 -4.584 1.170 1.00 0.00 O ATOM 366 C1' U A 12 -4.827 -3.072 2.512 1.00 0.00 C ATOM 367 N1 U A 12 -3.455 -2.947 3.053 1.00 0.00 N ATOM 368 C2 U A 12 -2.412 -2.890 2.149 1.00 0.00 C ATOM 369 O2 U A 12 -2.583 -2.961 0.934 1.00 0.00 O ATOM 370 N3 U A 12 -1.151 -2.764 2.688 1.00 0.00 N ATOM 371 C4 U A 12 -0.843 -2.690 4.030 1.00 0.00 C ATOM 372 O4 U A 12 0.325 -2.587 4.383 1.00 0.00 O ATOM 373 C5 U A 12 -1.982 -2.757 4.915 1.00 0.00 C ATOM 374 C6 U A 12 -3.231 -2.881 4.406 1.00 0.00 C ATOM 0 H5' U A 12 -7.382 -2.621 5.627 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.560 -4.360 5.749 1.00 0.00 H new ATOM 0 H4' U A 12 -7.590 -3.728 3.482 1.00 0.00 H new ATOM 0 H3' U A 12 -5.095 -5.279 4.286 1.00 0.00 H new ATOM 0 H2' U A 12 -4.386 -5.153 1.881 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.878 -5.236 1.405 1.00 0.00 H new ATOM 0 H1' U A 12 -4.857 -2.487 1.593 1.00 0.00 H new ATOM 0 H3 U A 12 -0.371 -2.721 2.032 1.00 0.00 H new ATOM 0 H5 U A 12 -1.838 -2.708 5.984 1.00 0.00 H new ATOM 0 H6 U A 12 -4.072 -2.929 5.082 1.00 0.00 H new ATOM 385 P C A 13 -6.465 -7.503 3.731 1.00 0.00 P ATOM 386 OP1 C A 13 -7.756 -8.200 3.920 1.00 0.00 O ATOM 387 OP2 C A 13 -5.471 -7.476 4.827 1.00 0.00 O ATOM 388 O5' C A 13 -5.746 -8.110 2.423 1.00 0.00 O ATOM 389 C5' C A 13 -6.516 -8.527 1.288 1.00 0.00 C ATOM 390 C4' C A 13 -5.626 -8.816 0.083 1.00 0.00 C ATOM 391 O4' C A 13 -4.916 -7.624 -0.276 1.00 0.00 O ATOM 392 C3' C A 13 -4.532 -9.839 0.329 1.00 0.00 C ATOM 393 O3' C A 13 -5.073 -11.121 -0.021 1.00 0.00 O ATOM 394 C2' C A 13 -3.495 -9.467 -0.721 1.00 0.00 C ATOM 395 O2' C A 13 -3.870 -9.975 -2.004 1.00 0.00 O ATOM 396 C1' C A 13 -3.578 -7.938 -0.698 1.00 0.00 C ATOM 397 N1 C A 13 -2.629 -7.323 0.256 1.00 0.00 N ATOM 398 C2 C A 13 -1.431 -6.838 -0.248 1.00 0.00 C ATOM 399 O2 C A 13 -1.172 -6.944 -1.442 1.00 0.00 O ATOM 400 N3 C A 13 -0.555 -6.245 0.605 1.00 0.00 N ATOM 401 C4 C A 13 -0.839 -6.131 1.905 1.00 0.00 C ATOM 402 N4 C A 13 0.058 -5.535 2.684 1.00 0.00 N ATOM 403 C5 C A 13 -2.070 -6.629 2.437 1.00 0.00 C ATOM 404 C6 C A 13 -2.930 -7.214 1.583 1.00 0.00 C ATOM 0 H5' C A 13 -7.237 -7.751 1.031 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.087 -9.420 1.543 1.00 0.00 H new ATOM 0 H4' C A 13 -6.311 -9.192 -0.677 1.00 0.00 H new ATOM 0 H3' C A 13 -4.145 -9.862 1.348 1.00 0.00 H new ATOM 0 H2' C A 13 -2.499 -9.865 -0.529 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.473 -10.739 -1.890 1.00 0.00 H new ATOM 0 H1' C A 13 -3.327 -7.549 -1.685 1.00 0.00 H new ATOM 0 H41 C A 13 -0.123 -5.429 3.682 1.00 0.00 H new ATOM 0 H42 C A 13 0.928 -5.183 2.284 1.00 0.00 H new ATOM 0 H5 C A 13 -2.301 -6.539 3.488 1.00 0.00 H new ATOM 0 H6 C A 13 -3.868 -7.601 1.951 1.00 0.00 H new ATOM 416 P C A 14 -5.342 -12.245 1.104 1.00 0.00 P ATOM 417 OP1 C A 14 -6.578 -12.977 0.743 1.00 0.00 O ATOM 418 OP2 C A 14 -5.224 -11.607 2.436 1.00 0.00 O ATOM 419 O5' C A 14 -4.090 -13.242 0.917 1.00 0.00 O ATOM 420 C5' C A 14 -3.988 -14.084 -0.240 1.00 0.00 C ATOM 421 C4' C A 14 -2.594 -14.021 -0.854 1.00 0.00 C ATOM 422 O4' C A 14 -2.259 -12.653 -1.121 1.00 0.00 O ATOM 423 C3' C A 14 -1.474 -14.506 0.050 1.00 0.00 C ATOM 424 O3' C A 14 -1.337 -15.929 -0.017 1.00 0.00 O ATOM 425 C2' C A 14 -0.276 -13.814 -0.583 1.00 0.00 C ATOM 426 O2' C A 14 0.113 -14.479 -1.791 1.00 0.00 O ATOM 427 C1' C A 14 -0.860 -12.433 -0.892 1.00 0.00 C ATOM 428 N1 C A 14 -0.710 -11.489 0.238 1.00 0.00 N ATOM 429 C2 C A 14 0.343 -10.587 0.191 1.00 0.00 C ATOM 430 O2 C A 14 1.115 -10.578 -0.766 1.00 0.00 O ATOM 431 N3 C A 14 0.502 -9.717 1.222 1.00 0.00 N ATOM 432 C4 C A 14 -0.338 -9.729 2.263 1.00 0.00 C ATOM 433 N4 C A 14 -0.119 -8.859 3.243 1.00 0.00 N ATOM 434 C5 C A 14 -1.427 -10.653 2.321 1.00 0.00 C ATOM 435 C6 C A 14 -1.575 -11.510 1.295 1.00 0.00 C ATOM 0 H5' C A 14 -4.727 -13.778 -0.980 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.219 -15.113 0.036 1.00 0.00 H new ATOM 0 H4' C A 14 -2.655 -14.663 -1.732 1.00 0.00 H new ATOM 0 H3' C A 14 -1.620 -14.286 1.108 1.00 0.00 H new ATOM 0 H2' C A 14 0.617 -13.797 0.042 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.224 -15.399 -1.781 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.608 -16.216 0.572 1.00 0.00 H new ATOM 0 H1' C A 14 -0.340 -11.992 -1.743 1.00 0.00 H new ATOM 0 H41 C A 14 -0.738 -8.837 4.054 1.00 0.00 H new ATOM 0 H42 C A 14 0.668 -8.213 3.185 1.00 0.00 H new ATOM 0 H5 C A 14 -2.107 -10.663 3.160 1.00 0.00 H new ATOM 0 H6 C A 14 -2.387 -12.222 1.307 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 5.258 -0.900 1.797 1.00 0.00 CO HETATM 450 N1 NCO A 15 3.521 -1.693 1.246 1.00 0.00 N HETATM 451 N2 NCO A 15 6.995 -0.106 2.348 1.00 0.00 N HETATM 452 N3 NCO A 15 5.989 -1.236 -0.020 1.00 0.00 N HETATM 453 N4 NCO A 15 4.528 -0.563 3.614 1.00 0.00 N HETATM 454 N5 NCO A 15 5.892 -2.690 2.384 1.00 0.00 N HETATM 455 N6 NCO A 15 4.626 0.890 1.212 1.00 0.00 N