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= 0.193 USER MOD Single : A 1 G O5' : rot 180:sc= -1.27 USER MOD Single : A 2 G O2' : rot -17:sc= 0.238 USER MOD Single : A 3 G O2' : rot -26:sc= 0.289 USER MOD Single : A 4 C O2' : rot -16:sc= 0.232 USER MOD Single : A 5 G O2' : rot -23:sc= 1.16 USER MOD Single : A 6 C O2' : rot -18:sc= 0.257 USER MOD Single : A 7 A O2' : rot -5:sc= -0.706 USER MOD Single : A 8 A O2' : rot -18:sc= 0.194 USER MOD Single : A 9 G O2' : rot -4:sc= -0.335 USER MOD Single : A 10 C O2' : rot -11:sc= -1.04 USER MOD Single : A 11 C O2' : rot -14:sc= 0.0859 USER MOD Single : A 12 U O2' : rot -22:sc= 0.0988 USER MOD Single : A 12 U O3' : rot 180:sc= 0.142 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -9.108 -5.860 -2.057 1.00 0.00 O ATOM 2 C5' G A 1 -9.668 -6.568 -3.169 1.00 0.00 C ATOM 3 C4' G A 1 -9.915 -5.644 -4.362 1.00 0.00 C ATOM 4 O4' G A 1 -10.818 -4.578 -4.024 1.00 0.00 O ATOM 5 C3' G A 1 -8.630 -4.960 -4.807 1.00 0.00 C ATOM 6 O3' G A 1 -7.997 -5.761 -5.813 1.00 0.00 O ATOM 7 C2' G A 1 -9.162 -3.696 -5.449 1.00 0.00 C ATOM 8 O2' G A 1 -9.678 -3.946 -6.763 1.00 0.00 O ATOM 9 C1' G A 1 -10.266 -3.328 -4.472 1.00 0.00 C ATOM 10 N9 G A 1 -9.728 -2.547 -3.342 1.00 0.00 N ATOM 11 C8 G A 1 -9.465 -2.938 -2.073 1.00 0.00 C ATOM 12 N7 G A 1 -8.980 -2.058 -1.263 1.00 0.00 N ATOM 13 C5 G A 1 -8.902 -0.930 -2.085 1.00 0.00 C ATOM 14 C6 G A 1 -8.445 0.383 -1.792 1.00 0.00 C ATOM 15 O6 G A 1 -8.012 0.825 -0.730 1.00 0.00 O ATOM 16 N1 G A 1 -8.534 1.211 -2.900 1.00 0.00 N ATOM 17 C2 G A 1 -9.004 0.833 -4.138 1.00 0.00 C ATOM 18 N2 G A 1 -9.011 1.774 -5.076 1.00 0.00 N ATOM 19 N3 G A 1 -9.436 -0.395 -4.425 1.00 0.00 N ATOM 20 C4 G A 1 -9.359 -1.223 -3.361 1.00 0.00 C ATOM 0 H5' G A 1 -10.607 -7.033 -2.869 1.00 0.00 H new ATOM 0 H5'' G A 1 -8.994 -7.372 -3.465 1.00 0.00 H new ATOM 0 H4' G A 1 -10.325 -6.280 -5.146 1.00 0.00 H new ATOM 0 H3' G A 1 -7.907 -4.794 -4.008 1.00 0.00 H new ATOM 0 H2' G A 1 -8.415 -2.917 -5.602 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.343 -4.808 -7.088 1.00 0.00 H new ATOM 0 HO5' G A 1 -8.965 -6.481 -1.312 1.00 0.00 H new ATOM 0 H1' G A 1 -11.026 -2.702 -4.939 1.00 0.00 H new ATOM 0 H8 G A 1 -9.654 -3.951 -1.750 1.00 0.00 H new ATOM 0 H1 G A 1 -8.227 2.177 -2.790 1.00 0.00 H new ATOM 0 H21 G A 1 -9.347 1.557 -6.014 1.00 0.00 H new ATOM 0 H22 G A 1 -8.680 2.714 -4.858 1.00 0.00 H new ATOM 33 P G A 2 -6.391 -5.789 -5.948 1.00 0.00 P ATOM 34 OP1 G A 2 -6.035 -6.704 -7.056 1.00 0.00 O ATOM 35 OP2 G A 2 -5.816 -6.002 -4.600 1.00 0.00 O ATOM 36 O5' G A 2 -6.048 -4.281 -6.407 1.00 0.00 O ATOM 37 C5' G A 2 -6.404 -3.816 -7.716 1.00 0.00 C ATOM 38 C4' G A 2 -6.389 -2.290 -7.798 1.00 0.00 C ATOM 39 O4' G A 2 -7.230 -1.704 -6.796 1.00 0.00 O ATOM 40 C3' G A 2 -5.001 -1.729 -7.530 1.00 0.00 C ATOM 41 O3' G A 2 -4.284 -1.639 -8.768 1.00 0.00 O ATOM 42 C2' G A 2 -5.318 -0.329 -7.051 1.00 0.00 C ATOM 43 O2' G A 2 -5.591 0.556 -8.144 1.00 0.00 O ATOM 44 C1' G A 2 -6.558 -0.576 -6.205 1.00 0.00 C ATOM 45 N9 G A 2 -6.186 -0.844 -4.803 1.00 0.00 N ATOM 46 C8 G A 2 -6.221 -2.004 -4.105 1.00 0.00 C ATOM 47 N7 G A 2 -5.839 -1.972 -2.871 1.00 0.00 N ATOM 48 C5 G A 2 -5.502 -0.624 -2.713 1.00 0.00 C ATOM 49 C6 G A 2 -5.007 0.066 -1.575 1.00 0.00 C ATOM 50 O6 G A 2 -4.770 -0.376 -0.454 1.00 0.00 O ATOM 51 N1 G A 2 -4.798 1.409 -1.846 1.00 0.00 N ATOM 52 C2 G A 2 -5.032 2.019 -3.057 1.00 0.00 C ATOM 53 N2 G A 2 -4.751 3.315 -3.123 1.00 0.00 N ATOM 54 N3 G A 2 -5.500 1.384 -4.131 1.00 0.00 N ATOM 55 C4 G A 2 -5.712 0.072 -3.893 1.00 0.00 C ATOM 0 H5' G A 2 -7.396 -4.184 -7.976 1.00 0.00 H new ATOM 0 H5'' G A 2 -5.710 -4.227 -8.449 1.00 0.00 H new ATOM 0 H4' G A 2 -6.732 -2.051 -8.805 1.00 0.00 H new ATOM 0 H3' G A 2 -4.405 -2.322 -6.837 1.00 0.00 H new ATOM 0 H2' G A 2 -4.501 0.153 -6.514 1.00 0.00 H new ATOM 0 HO2' G A 2 -5.256 0.161 -8.976 1.00 0.00 H new ATOM 0 H1' G A 2 -7.211 0.297 -6.188 1.00 0.00 H new ATOM 0 H8 G A 2 -6.556 -2.923 -4.563 1.00 0.00 H new ATOM 0 H1 G A 2 -4.443 1.991 -1.088 1.00 0.00 H new ATOM 0 H21 G A 2 -4.902 3.826 -3.993 1.00 0.00 H new ATOM 0 H22 G A 2 -4.384 3.800 -2.304 1.00 0.00 H new ATOM 67 P G A 3 -2.679 -1.778 -8.799 1.00 0.00 P ATOM 68 OP1 G A 3 -2.249 -1.879 -10.211 1.00 0.00 O ATOM 69 OP2 G A 3 -2.285 -2.828 -7.832 1.00 0.00 O ATOM 70 O5' G A 3 -2.194 -0.354 -8.220 1.00 0.00 O ATOM 71 C5' G A 3 -2.135 0.800 -9.070 1.00 0.00 C ATOM 72 C4' G A 3 -1.528 2.005 -8.352 1.00 0.00 C ATOM 73 O4' G A 3 -2.322 2.404 -7.229 1.00 0.00 O ATOM 74 C3' G A 3 -0.159 1.675 -7.781 1.00 0.00 C ATOM 75 O3' G A 3 0.829 1.961 -8.781 1.00 0.00 O ATOM 76 C2' G A 3 -0.028 2.684 -6.654 1.00 0.00 C ATOM 77 O2' G A 3 0.438 3.951 -7.132 1.00 0.00 O ATOM 78 C1' G A 3 -1.463 2.774 -6.135 1.00 0.00 C ATOM 79 N9 G A 3 -1.676 1.882 -4.979 1.00 0.00 N ATOM 80 C8 G A 3 -2.158 0.616 -4.943 1.00 0.00 C ATOM 81 N7 G A 3 -2.279 0.053 -3.788 1.00 0.00 N ATOM 82 C5 G A 3 -1.821 1.062 -2.932 1.00 0.00 C ATOM 83 C6 G A 3 -1.702 1.069 -1.518 1.00 0.00 C ATOM 84 O6 G A 3 -1.980 0.175 -0.726 1.00 0.00 O ATOM 85 N1 G A 3 -1.200 2.274 -1.054 1.00 0.00 N ATOM 86 C2 G A 3 -0.853 3.346 -1.846 1.00 0.00 C ATOM 87 N2 G A 3 -0.384 4.416 -1.213 1.00 0.00 N ATOM 88 N3 G A 3 -0.960 3.351 -3.177 1.00 0.00 N ATOM 89 C4 G A 3 -1.450 2.184 -3.654 1.00 0.00 C ATOM 0 H5' G A 3 -3.139 1.050 -9.414 1.00 0.00 H new ATOM 0 H5'' G A 3 -1.543 0.569 -9.956 1.00 0.00 H new ATOM 0 H4' G A 3 -1.473 2.794 -9.102 1.00 0.00 H new ATOM 0 H3' G A 3 -0.038 0.639 -7.464 1.00 0.00 H new ATOM 0 H2' G A 3 0.696 2.395 -5.892 1.00 0.00 H new ATOM 0 HO2' G A 3 0.959 3.820 -7.951 1.00 0.00 H new ATOM 0 H1' G A 3 -1.680 3.784 -5.788 1.00 0.00 H new ATOM 0 H8 G A 3 -2.431 0.096 -5.849 1.00 0.00 H new ATOM 0 H1 G A 3 -1.078 2.375 -0.046 1.00 0.00 H new ATOM 0 H21 G A 3 -0.109 5.243 -1.743 1.00 0.00 H new ATOM 0 H22 G A 3 -0.299 4.411 -0.197 1.00 0.00 H new ATOM 101 P C A 4 2.297 1.302 -8.703 1.00 0.00 P ATOM 102 OP1 C A 4 3.001 1.591 -9.972 1.00 0.00 O ATOM 103 OP2 C A 4 2.154 -0.097 -8.239 1.00 0.00 O ATOM 104 O5' C A 4 2.997 2.157 -7.532 1.00 0.00 O ATOM 105 C5' C A 4 3.810 1.518 -6.542 1.00 0.00 C ATOM 106 C4' C A 4 3.958 2.384 -5.294 1.00 0.00 C ATOM 107 O4' C A 4 2.682 2.678 -4.706 1.00 0.00 O ATOM 108 C3' C A 4 4.749 1.662 -4.214 1.00 0.00 C ATOM 109 O3' C A 4 6.137 1.988 -4.367 1.00 0.00 O ATOM 110 C2' C A 4 4.226 2.317 -2.952 1.00 0.00 C ATOM 111 O2' C A 4 4.841 3.592 -2.725 1.00 0.00 O ATOM 112 C1' C A 4 2.745 2.459 -3.286 1.00 0.00 C ATOM 113 N1 C A 4 1.987 1.248 -2.898 1.00 0.00 N ATOM 114 C2 C A 4 1.684 1.084 -1.554 1.00 0.00 C ATOM 115 O2 C A 4 2.040 1.923 -0.732 1.00 0.00 O ATOM 116 N3 C A 4 0.982 -0.020 -1.180 1.00 0.00 N ATOM 117 C4 C A 4 0.592 -0.925 -2.086 1.00 0.00 C ATOM 118 N4 C A 4 -0.108 -1.983 -1.688 1.00 0.00 N ATOM 119 C5 C A 4 0.901 -0.762 -3.473 1.00 0.00 C ATOM 120 C6 C A 4 1.596 0.332 -3.833 1.00 0.00 C ATOM 0 H5' C A 4 4.795 1.308 -6.959 1.00 0.00 H new ATOM 0 H5'' C A 4 3.368 0.559 -6.270 1.00 0.00 H new ATOM 0 H4' C A 4 4.463 3.292 -5.622 1.00 0.00 H new ATOM 0 H3' C A 4 4.651 0.577 -4.230 1.00 0.00 H new ATOM 0 H2' C A 4 4.427 1.755 -2.040 1.00 0.00 H new ATOM 0 HO2' C A 4 5.647 3.669 -3.276 1.00 0.00 H new ATOM 0 H1' C A 4 2.293 3.284 -2.736 1.00 0.00 H new ATOM 0 H41 C A 4 -0.411 -2.680 -2.369 1.00 0.00 H new ATOM 0 H42 C A 4 -0.342 -2.098 -0.702 1.00 0.00 H new ATOM 0 H5 C A 4 0.587 -1.491 -4.205 1.00 0.00 H new ATOM 0 H6 C A 4 1.847 0.488 -4.872 1.00 0.00 H new ATOM 132 P G A 5 7.260 0.831 -4.352 1.00 0.00 P ATOM 133 OP1 G A 5 8.537 1.418 -4.819 1.00 0.00 O ATOM 134 OP2 G A 5 6.705 -0.362 -5.030 1.00 0.00 O ATOM 135 O5' G A 5 7.397 0.498 -2.782 1.00 0.00 O ATOM 136 C5' G A 5 8.200 1.322 -1.928 1.00 0.00 C ATOM 137 C4' G A 5 7.962 1.006 -0.453 1.00 0.00 C ATOM 138 O4' G A 5 6.593 1.233 -0.084 1.00 0.00 O ATOM 139 C3' G A 5 8.227 -0.464 -0.152 1.00 0.00 C ATOM 140 O3' G A 5 9.595 -0.615 0.249 1.00 0.00 O ATOM 141 C2' G A 5 7.340 -0.701 1.051 1.00 0.00 C ATOM 142 O2' G A 5 7.949 -0.217 2.256 1.00 0.00 O ATOM 143 C1' G A 5 6.108 0.113 0.674 1.00 0.00 C ATOM 144 N9 G A 5 5.160 -0.695 -0.116 1.00 0.00 N ATOM 145 C8 G A 5 4.999 -0.782 -1.460 1.00 0.00 C ATOM 146 N7 G A 5 4.104 -1.601 -1.904 1.00 0.00 N ATOM 147 C5 G A 5 3.596 -2.134 -0.715 1.00 0.00 C ATOM 148 C6 G A 5 2.577 -3.105 -0.511 1.00 0.00 C ATOM 149 O6 G A 5 1.917 -3.710 -1.352 1.00 0.00 O ATOM 150 N1 G A 5 2.378 -3.355 0.837 1.00 0.00 N ATOM 151 C2 G A 5 3.066 -2.751 1.865 1.00 0.00 C ATOM 152 N2 G A 5 2.723 -3.112 3.091 1.00 0.00 N ATOM 153 N3 G A 5 4.022 -1.842 1.687 1.00 0.00 N ATOM 154 C4 G A 5 4.237 -1.581 0.381 1.00 0.00 C ATOM 0 H5' G A 5 7.973 2.371 -2.117 1.00 0.00 H new ATOM 0 H5'' G A 5 9.253 1.175 -2.166 1.00 0.00 H new ATOM 0 H4' G A 5 8.638 1.656 0.102 1.00 0.00 H new ATOM 0 H3' G A 5 8.041 -1.136 -0.990 1.00 0.00 H new ATOM 0 H2' G A 5 7.133 -1.751 1.257 1.00 0.00 H new ATOM 0 HO2' G A 5 8.921 -0.176 2.138 1.00 0.00 H new ATOM 0 H1' G A 5 5.562 0.441 1.559 1.00 0.00 H new ATOM 0 H8 G A 5 5.598 -0.188 -2.135 1.00 0.00 H new ATOM 0 H1 G A 5 1.666 -4.041 1.088 1.00 0.00 H new ATOM 0 H21 G A 5 3.196 -2.700 3.895 1.00 0.00 H new ATOM 0 H22 G A 5 1.985 -3.802 3.232 1.00 0.00 H new ATOM 166 P C A 6 10.582 -1.610 -0.548 1.00 0.00 P ATOM 167 OP1 C A 6 11.915 -1.546 0.092 1.00 0.00 O ATOM 168 OP2 C A 6 10.445 -1.339 -1.997 1.00 0.00 O ATOM 169 O5' C A 6 9.946 -3.060 -0.238 1.00 0.00 O ATOM 170 C5' C A 6 9.869 -4.064 -1.258 1.00 0.00 C ATOM 171 C4' C A 6 9.556 -5.443 -0.678 1.00 0.00 C ATOM 172 O4' C A 6 10.548 -5.849 0.277 1.00 0.00 O ATOM 173 C3' C A 6 8.241 -5.437 0.086 1.00 0.00 C ATOM 174 O3' C A 6 7.177 -5.770 -0.816 1.00 0.00 O ATOM 175 C2' C A 6 8.437 -6.587 1.052 1.00 0.00 C ATOM 176 O2' C A 6 8.212 -7.852 0.419 1.00 0.00 O ATOM 177 C1' C A 6 9.900 -6.404 1.438 1.00 0.00 C ATOM 178 N1 C A 6 10.038 -5.509 2.609 1.00 0.00 N ATOM 179 C2 C A 6 9.973 -6.086 3.869 1.00 0.00 C ATOM 180 O2 C A 6 9.800 -7.298 3.988 1.00 0.00 O ATOM 181 N3 C A 6 10.104 -5.278 4.956 1.00 0.00 N ATOM 182 C4 C A 6 10.290 -3.962 4.815 1.00 0.00 C ATOM 183 N4 C A 6 10.416 -3.205 5.901 1.00 0.00 N ATOM 184 C5 C A 6 10.358 -3.360 3.519 1.00 0.00 C ATOM 185 C6 C A 6 10.228 -4.166 2.449 1.00 0.00 C ATOM 0 H5' C A 6 10.814 -4.104 -1.800 1.00 0.00 H new ATOM 0 H5'' C A 6 9.099 -3.790 -1.979 1.00 0.00 H new ATOM 0 H4' C A 6 9.522 -6.119 -1.532 1.00 0.00 H new ATOM 0 H3' C A 6 8.000 -4.485 0.558 1.00 0.00 H new ATOM 0 H2' C A 6 7.748 -6.583 1.897 1.00 0.00 H new ATOM 0 HO2' C A 6 7.702 -7.718 -0.407 1.00 0.00 H new ATOM 0 H1' C A 6 10.354 -7.351 1.730 1.00 0.00 H new ATOM 0 H41 C A 6 10.558 -2.199 5.808 1.00 0.00 H new ATOM 0 H42 C A 6 10.370 -3.630 6.827 1.00 0.00 H new ATOM 0 H5 C A 6 10.508 -2.297 3.403 1.00 0.00 H new ATOM 0 H6 C A 6 10.274 -3.747 1.455 1.00 0.00 H new ATOM 197 P A A 7 5.748 -5.036 -0.694 1.00 0.00 P ATOM 198 OP1 A A 7 4.834 -5.625 -1.699 1.00 0.00 O ATOM 199 OP2 A A 7 5.987 -3.578 -0.672 1.00 0.00 O ATOM 200 O5' A A 7 5.252 -5.490 0.773 1.00 0.00 O ATOM 201 C5' A A 7 4.800 -6.829 1.011 1.00 0.00 C ATOM 202 C4' A A 7 4.854 -7.197 2.494 1.00 0.00 C ATOM 203 O4' A A 7 6.171 -6.990 3.030 1.00 0.00 O ATOM 204 C3' A A 7 3.926 -6.320 3.331 1.00 0.00 C ATOM 205 O3' A A 7 2.659 -6.980 3.459 1.00 0.00 O ATOM 206 C2' A A 7 4.623 -6.334 4.678 1.00 0.00 C ATOM 207 O2' A A 7 4.362 -7.546 5.399 1.00 0.00 O ATOM 208 C1' A A 7 6.079 -6.238 4.252 1.00 0.00 C ATOM 209 N9 A A 7 6.484 -4.832 4.048 1.00 0.00 N ATOM 210 C8 A A 7 6.534 -4.099 2.908 1.00 0.00 C ATOM 211 N7 A A 7 6.935 -2.878 3.000 1.00 0.00 N ATOM 212 C5 A A 7 7.188 -2.768 4.370 1.00 0.00 C ATOM 213 C6 A A 7 7.646 -1.715 5.166 1.00 0.00 C ATOM 214 N6 A A 7 7.954 -0.517 4.677 1.00 0.00 N ATOM 215 N1 A A 7 7.782 -1.946 6.483 1.00 0.00 N ATOM 216 C2 A A 7 7.483 -3.144 6.991 1.00 0.00 C ATOM 217 N3 A A 7 7.041 -4.209 6.331 1.00 0.00 N ATOM 218 C4 A A 7 6.915 -3.953 5.015 1.00 0.00 C ATOM 0 H5' A A 7 5.415 -7.526 0.442 1.00 0.00 H new ATOM 0 H5'' A A 7 3.778 -6.937 0.648 1.00 0.00 H new ATOM 0 H4' A A 7 4.556 -8.244 2.547 1.00 0.00 H new ATOM 0 H3' A A 7 3.751 -5.325 2.922 1.00 0.00 H new ATOM 0 H2' A A 7 4.300 -5.545 5.357 1.00 0.00 H new ATOM 0 HO2' A A 7 3.710 -8.086 4.906 1.00 0.00 H new ATOM 0 H1' A A 7 6.748 -6.633 5.016 1.00 0.00 H new ATOM 0 H8 A A 7 6.248 -4.524 1.957 1.00 0.00 H new ATOM 0 H61 A A 7 8.284 0.219 5.301 1.00 0.00 H new ATOM 0 H62 A A 7 7.860 -0.334 3.678 1.00 0.00 H new ATOM 0 H2 A A 7 7.615 -3.260 8.057 1.00 0.00 H new ATOM 230 P A A 8 1.351 -6.172 3.949 1.00 0.00 P ATOM 231 OP1 A A 8 0.240 -7.139 4.097 1.00 0.00 O ATOM 232 OP2 A A 8 1.186 -4.989 3.075 1.00 0.00 O ATOM 233 O5' A A 8 1.779 -5.659 5.417 1.00 0.00 O ATOM 234 C5' A A 8 1.700 -6.537 6.547 1.00 0.00 C ATOM 235 C4' A A 8 2.136 -5.847 7.840 1.00 0.00 C ATOM 236 O4' A A 8 3.505 -5.416 7.778 1.00 0.00 O ATOM 237 C3' A A 8 1.332 -4.581 8.092 1.00 0.00 C ATOM 238 O3' A A 8 0.150 -4.913 8.832 1.00 0.00 O ATOM 239 C2' A A 8 2.272 -3.804 8.989 1.00 0.00 C ATOM 240 O2' A A 8 2.245 -4.298 10.335 1.00 0.00 O ATOM 241 C1' A A 8 3.607 -4.083 8.312 1.00 0.00 C ATOM 242 N9 A A 8 3.868 -3.102 7.242 1.00 0.00 N ATOM 243 C8 A A 8 3.530 -3.147 5.931 1.00 0.00 C ATOM 244 N7 A A 8 3.866 -2.142 5.193 1.00 0.00 N ATOM 245 C5 A A 8 4.509 -1.315 6.121 1.00 0.00 C ATOM 246 C6 A A 8 5.118 -0.062 6.009 1.00 0.00 C ATOM 247 N6 A A 8 5.186 0.615 4.865 1.00 0.00 N ATOM 248 N1 A A 8 5.655 0.468 7.122 1.00 0.00 N ATOM 249 C2 A A 8 5.596 -0.194 8.279 1.00 0.00 C ATOM 250 N3 A A 8 5.044 -1.384 8.498 1.00 0.00 N ATOM 251 C4 A A 8 4.514 -1.894 7.369 1.00 0.00 C ATOM 0 H5' A A 8 2.329 -7.410 6.372 1.00 0.00 H new ATOM 0 H5'' A A 8 0.677 -6.897 6.655 1.00 0.00 H new ATOM 0 H4' A A 8 1.985 -6.587 8.626 1.00 0.00 H new ATOM 0 H3' A A 8 1.021 -4.054 7.190 1.00 0.00 H new ATOM 0 H2' A A 8 2.031 -2.746 9.089 1.00 0.00 H new ATOM 0 HO2' A A 8 1.433 -4.830 10.472 1.00 0.00 H new ATOM 0 H1' A A 8 4.437 -3.999 9.014 1.00 0.00 H new ATOM 0 H8 A A 8 2.999 -3.992 5.518 1.00 0.00 H new ATOM 0 H61 A A 8 5.642 1.527 4.838 1.00 0.00 H new ATOM 0 H62 A A 8 4.782 0.222 4.015 1.00 0.00 H new ATOM 0 H2 A A 8 6.047 0.290 9.133 1.00 0.00 H new ATOM 263 P G A 9 -1.314 -4.656 8.203 1.00 0.00 P ATOM 264 OP1 G A 9 -2.324 -5.126 9.179 1.00 0.00 O ATOM 265 OP2 G A 9 -1.326 -5.185 6.820 1.00 0.00 O ATOM 266 O5' G A 9 -1.400 -3.045 8.126 1.00 0.00 O ATOM 267 C5' G A 9 -0.883 -2.228 9.186 1.00 0.00 C ATOM 268 C4' G A 9 0.032 -1.122 8.658 1.00 0.00 C ATOM 269 O4' G A 9 1.009 -1.640 7.743 1.00 0.00 O ATOM 270 C3' G A 9 -0.742 -0.084 7.860 1.00 0.00 C ATOM 271 O3' G A 9 -1.221 0.932 8.751 1.00 0.00 O ATOM 272 C2' G A 9 0.355 0.505 6.997 1.00 0.00 C ATOM 273 O2' G A 9 1.163 1.434 7.731 1.00 0.00 O ATOM 274 C1' G A 9 1.136 -0.743 6.623 1.00 0.00 C ATOM 275 N9 G A 9 0.600 -1.342 5.386 1.00 0.00 N ATOM 276 C8 G A 9 -0.171 -2.443 5.219 1.00 0.00 C ATOM 277 N7 G A 9 -0.526 -2.748 4.017 1.00 0.00 N ATOM 278 C5 G A 9 0.078 -1.729 3.275 1.00 0.00 C ATOM 279 C6 G A 9 0.068 -1.490 1.874 1.00 0.00 C ATOM 280 O6 G A 9 -0.482 -2.142 0.992 1.00 0.00 O ATOM 281 N1 G A 9 0.800 -0.358 1.544 1.00 0.00 N ATOM 282 C2 G A 9 1.460 0.449 2.445 1.00 0.00 C ATOM 283 N2 G A 9 2.103 1.495 1.942 1.00 0.00 N ATOM 284 N3 G A 9 1.476 0.234 3.762 1.00 0.00 N ATOM 285 C4 G A 9 0.769 -0.864 4.108 1.00 0.00 C ATOM 0 H5' G A 9 -0.331 -2.852 9.889 1.00 0.00 H new ATOM 0 H5'' G A 9 -1.711 -1.782 9.738 1.00 0.00 H new ATOM 0 H4' G A 9 0.494 -0.687 9.544 1.00 0.00 H new ATOM 0 H3' G A 9 -1.597 -0.479 7.312 1.00 0.00 H new ATOM 0 H2' G A 9 -0.006 1.079 6.144 1.00 0.00 H new ATOM 0 HO2' G A 9 0.797 1.545 8.633 1.00 0.00 H new ATOM 0 H1' G A 9 2.184 -0.518 6.422 1.00 0.00 H new ATOM 0 H8 G A 9 -0.478 -3.044 6.062 1.00 0.00 H new ATOM 0 H1 G A 9 0.854 -0.104 0.558 1.00 0.00 H new ATOM 0 H21 G A 9 2.610 2.128 2.561 1.00 0.00 H new ATOM 0 H22 G A 9 2.091 1.666 0.936 1.00 0.00 H new ATOM 297 P C A 10 -2.316 2.010 8.258 1.00 0.00 P ATOM 298 OP1 C A 10 -2.685 2.859 9.413 1.00 0.00 O ATOM 299 OP2 C A 10 -3.369 1.291 7.505 1.00 0.00 O ATOM 300 O5' C A 10 -1.483 2.912 7.211 1.00 0.00 O ATOM 301 C5' C A 10 -0.623 3.965 7.669 1.00 0.00 C ATOM 302 C4' C A 10 -0.133 4.842 6.516 1.00 0.00 C ATOM 303 O4' C A 10 0.618 4.088 5.547 1.00 0.00 O ATOM 304 C3' C A 10 -1.297 5.436 5.734 1.00 0.00 C ATOM 305 O3' C A 10 -1.684 6.682 6.328 1.00 0.00 O ATOM 306 C2' C A 10 -0.637 5.714 4.404 1.00 0.00 C ATOM 307 O2' C A 10 0.215 6.866 4.471 1.00 0.00 O ATOM 308 C1' C A 10 0.168 4.440 4.223 1.00 0.00 C ATOM 309 N1 C A 10 -0.642 3.350 3.629 1.00 0.00 N ATOM 310 C2 C A 10 -0.666 3.241 2.243 1.00 0.00 C ATOM 311 O2 C A 10 -0.064 4.055 1.546 1.00 0.00 O ATOM 312 N3 C A 10 -1.372 2.220 1.687 1.00 0.00 N ATOM 313 C4 C A 10 -2.030 1.342 2.455 1.00 0.00 C ATOM 314 N4 C A 10 -2.707 0.353 1.877 1.00 0.00 N ATOM 315 C5 C A 10 -2.012 1.449 3.879 1.00 0.00 C ATOM 316 C6 C A 10 -1.311 2.461 4.421 1.00 0.00 C ATOM 0 H5' C A 10 0.234 3.535 8.187 1.00 0.00 H new ATOM 0 H5'' C A 10 -1.157 4.581 8.393 1.00 0.00 H new ATOM 0 H4' C A 10 0.479 5.611 6.987 1.00 0.00 H new ATOM 0 H3' C A 10 -2.184 4.804 5.689 1.00 0.00 H new ATOM 0 H2' C A 10 -1.329 5.936 3.591 1.00 0.00 H new ATOM 0 HO2' C A 10 0.054 7.343 5.312 1.00 0.00 H new ATOM 0 H1' C A 10 0.998 4.592 3.532 1.00 0.00 H new ATOM 0 H41 C A 10 -3.212 -0.322 2.450 1.00 0.00 H new ATOM 0 H42 C A 10 -2.721 0.270 0.860 1.00 0.00 H new ATOM 0 H5 C A 10 -2.543 0.742 4.499 1.00 0.00 H new ATOM 0 H6 C A 10 -1.277 2.572 5.495 1.00 0.00 H new ATOM 328 P C A 11 -3.148 7.297 6.047 1.00 0.00 P ATOM 329 OP1 C A 11 -3.195 8.662 6.617 1.00 0.00 O ATOM 330 OP2 C A 11 -4.157 6.292 6.452 1.00 0.00 O ATOM 331 O5' C A 11 -3.175 7.416 4.440 1.00 0.00 O ATOM 332 C5' C A 11 -2.372 8.394 3.769 1.00 0.00 C ATOM 333 C4' C A 11 -2.330 8.169 2.258 1.00 0.00 C ATOM 334 O4' C A 11 -1.841 6.866 1.916 1.00 0.00 O ATOM 335 C3' C A 11 -3.714 8.222 1.641 1.00 0.00 C ATOM 336 O3' C A 11 -4.072 9.590 1.406 1.00 0.00 O ATOM 337 C2' C A 11 -3.451 7.545 0.311 1.00 0.00 C ATOM 338 O2' C A 11 -2.797 8.433 -0.604 1.00 0.00 O ATOM 339 C1' C A 11 -2.530 6.404 0.734 1.00 0.00 C ATOM 340 N1 C A 11 -3.282 5.151 0.998 1.00 0.00 N ATOM 341 C2 C A 11 -3.743 4.436 -0.099 1.00 0.00 C ATOM 342 O2 C A 11 -3.539 4.848 -1.238 1.00 0.00 O ATOM 343 N3 C A 11 -4.418 3.276 0.122 1.00 0.00 N ATOM 344 C4 C A 11 -4.636 2.834 1.364 1.00 0.00 C ATOM 345 N4 C A 11 -5.306 1.696 1.540 1.00 0.00 N ATOM 346 C5 C A 11 -4.166 3.564 2.500 1.00 0.00 C ATOM 347 C6 C A 11 -3.495 4.710 2.273 1.00 0.00 C ATOM 0 H5' C A 11 -1.358 8.364 4.167 1.00 0.00 H new ATOM 0 H5'' C A 11 -2.766 9.389 3.976 1.00 0.00 H new ATOM 0 H4' C A 11 -1.679 8.959 1.885 1.00 0.00 H new ATOM 0 H3' C A 11 -4.506 7.775 2.242 1.00 0.00 H new ATOM 0 H2' C A 11 -4.350 7.222 -0.213 1.00 0.00 H new ATOM 0 HO2' C A 11 -2.858 9.352 -0.268 1.00 0.00 H new ATOM 0 H1' C A 11 -1.829 6.156 -0.063 1.00 0.00 H new ATOM 0 H41 C A 11 -5.480 1.347 2.483 1.00 0.00 H new ATOM 0 H42 C A 11 -5.645 1.174 0.732 1.00 0.00 H new ATOM 0 H5 C A 11 -4.343 3.209 3.505 1.00 0.00 H new ATOM 0 H6 C A 11 -3.122 5.286 3.107 1.00 0.00 H new ATOM 359 P U A 12 -5.617 10.050 1.438 1.00 0.00 P ATOM 360 OP1 U A 12 -5.676 11.496 1.122 1.00 0.00 O ATOM 361 OP2 U A 12 -6.227 9.541 2.687 1.00 0.00 O ATOM 362 O5' U A 12 -6.248 9.234 0.200 1.00 0.00 O ATOM 363 C5' U A 12 -5.858 9.531 -1.145 1.00 0.00 C ATOM 364 C4' U A 12 -6.169 8.374 -2.092 1.00 0.00 C ATOM 365 O4' U A 12 -5.538 7.160 -1.675 1.00 0.00 O ATOM 366 C3' U A 12 -7.649 8.051 -2.108 1.00 0.00 C ATOM 367 O3' U A 12 -8.392 8.960 -2.929 1.00 0.00 O ATOM 368 C2' U A 12 -7.621 6.655 -2.695 1.00 0.00 C ATOM 369 O2' U A 12 -7.461 6.686 -4.120 1.00 0.00 O ATOM 370 C1' U A 12 -6.393 6.052 -2.009 1.00 0.00 C ATOM 371 N1 U A 12 -6.779 5.279 -0.805 1.00 0.00 N ATOM 372 C2 U A 12 -7.454 4.090 -1.006 1.00 0.00 C ATOM 373 O2 U A 12 -7.718 3.667 -2.128 1.00 0.00 O ATOM 374 N3 U A 12 -7.815 3.395 0.130 1.00 0.00 N ATOM 375 C4 U A 12 -7.570 3.779 1.434 1.00 0.00 C ATOM 376 O4 U A 12 -7.941 3.077 2.369 1.00 0.00 O ATOM 377 C5 U A 12 -6.860 5.031 1.556 1.00 0.00 C ATOM 378 C6 U A 12 -6.491 5.731 0.457 1.00 0.00 C ATOM 0 H5' U A 12 -4.790 9.749 -1.175 1.00 0.00 H new ATOM 0 H5'' U A 12 -6.376 10.428 -1.484 1.00 0.00 H new ATOM 0 H4' U A 12 -5.810 8.703 -3.067 1.00 0.00 H new ATOM 0 H3' U A 12 -8.137 8.127 -1.136 1.00 0.00 H new ATOM 0 H2' U A 12 -8.540 6.091 -2.533 1.00 0.00 H new ATOM 0 HO2' U A 12 -7.742 7.560 -4.462 1.00 0.00 H new ATOM 0 HO3' U A 12 -9.341 8.715 -2.913 1.00 0.00 H new ATOM 0 H1' U A 12 -5.879 5.347 -2.663 1.00 0.00 H new ATOM 0 H3 U A 12 -8.310 2.514 -0.006 1.00 0.00 H new ATOM 0 H5 U A 12 -6.620 5.414 2.537 1.00 0.00 H new ATOM 0 H6 U A 12 -5.959 6.663 0.577 1.00 0.00 H new TER 390 U A 12