USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 8 C O2' : rot 180:sc= -1.15 USER MOD Single : A 8 C O5' : rot 180:sc= -0.684 USER MOD Single : A 9 C O2' : rot -28:sc= 0.11 USER MOD Single : A 10 G O2' : rot -162:sc= -5.48! USER MOD Single : A 11 U O2' : rot -163:sc= -1.43! USER MOD Single : A 12 U O2' : rot -44:sc= 1.14 USER MOD Single : A 13 G O2' : rot -24:sc= 0.188 USER MOD Single : A 14 A O2' : rot -24:sc= 0.105 USER MOD Single : A 15 A O2' : rot -113:sc= -5.59! USER MOD Single : A 16 U O2' : rot 142:sc= 0.712 USER MOD Single : A 17 C O2' : rot 84:sc= 1.22 USER MOD Single : A 18 U O2' : rot 143:sc= 0.463 USER MOD Single : A 19 C O2' : rot -17:sc= 0.0659 USER MOD Single : A 20 A O2' : rot -172:sc= 0.896 USER MOD Single : A 21 C O2' : rot -129:sc= 1.16 USER MOD Single : A 22 G O2' : rot 180:sc= -1.1 USER MOD Single : A 23 G O2' : rot -27:sc= 0.0998 USER MOD Single : A 23 G O3' : rot 180:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 6.390 -7.067 -12.496 1.00 0.00 O ATOM 2 C5' C A 8 6.663 -8.406 -12.907 1.00 0.00 C ATOM 3 C4' C A 8 6.852 -9.298 -11.700 1.00 0.00 C ATOM 4 O4' C A 8 8.101 -8.944 -11.049 1.00 0.00 O ATOM 5 C3' C A 8 5.797 -9.173 -10.608 1.00 0.00 C ATOM 6 O3' C A 8 4.681 -10.019 -10.865 1.00 0.00 O ATOM 7 C2' C A 8 6.557 -9.583 -9.352 1.00 0.00 C ATOM 8 O2' C A 8 6.647 -10.991 -9.237 1.00 0.00 O ATOM 9 C1' C A 8 7.951 -9.030 -9.643 1.00 0.00 C ATOM 10 N1 C A 8 8.197 -7.696 -9.060 1.00 0.00 N ATOM 11 C2 C A 8 8.704 -7.609 -7.752 1.00 0.00 C ATOM 12 O2 C A 8 8.934 -8.653 -7.121 1.00 0.00 O ATOM 13 N3 C A 8 8.929 -6.390 -7.213 1.00 0.00 N ATOM 14 C4 C A 8 8.670 -5.287 -7.920 1.00 0.00 C ATOM 15 N4 C A 8 8.908 -4.106 -7.345 1.00 0.00 N ATOM 16 C5 C A 8 8.156 -5.345 -9.249 1.00 0.00 C ATOM 17 C6 C A 8 7.938 -6.558 -9.775 1.00 0.00 C ATOM 0 H5' C A 8 7.559 -8.428 -13.527 1.00 0.00 H new ATOM 0 H5'' C A 8 5.842 -8.780 -13.519 1.00 0.00 H new ATOM 0 H4' C A 8 6.805 -10.309 -12.105 1.00 0.00 H new ATOM 0 H3' C A 8 5.367 -8.174 -10.531 1.00 0.00 H new ATOM 0 H2' C A 8 6.088 -9.226 -8.435 1.00 0.00 H new ATOM 0 HO2' C A 8 7.141 -11.222 -8.423 1.00 0.00 H new ATOM 0 HO5' C A 8 6.272 -6.500 -13.286 1.00 0.00 H new ATOM 0 H1' C A 8 8.671 -9.708 -9.185 1.00 0.00 H new ATOM 0 H41 C A 8 8.722 -3.243 -7.856 1.00 0.00 H new ATOM 0 H42 C A 8 9.276 -4.067 -6.395 1.00 0.00 H new ATOM 0 H5 C A 8 7.950 -4.445 -9.810 1.00 0.00 H new ATOM 0 H6 C A 8 7.551 -6.639 -10.780 1.00 0.00 H new ATOM 29 P C A 9 3.281 -9.740 -10.125 1.00 0.00 P ATOM 30 OP1 C A 9 2.290 -10.696 -10.682 1.00 0.00 O ATOM 31 OP2 C A 9 3.001 -8.282 -10.178 1.00 0.00 O ATOM 32 O5' C A 9 3.563 -10.137 -8.608 1.00 0.00 O ATOM 33 C5' C A 9 3.789 -11.496 -8.235 1.00 0.00 C ATOM 34 C4' C A 9 3.937 -11.610 -6.735 1.00 0.00 C ATOM 35 O4' C A 9 5.114 -10.869 -6.321 1.00 0.00 O ATOM 36 C3' C A 9 2.796 -11.015 -5.920 1.00 0.00 C ATOM 37 O3' C A 9 1.751 -11.964 -5.729 1.00 0.00 O ATOM 38 C2' C A 9 3.472 -10.633 -4.607 1.00 0.00 C ATOM 39 O2' C A 9 3.593 -11.750 -3.747 1.00 0.00 O ATOM 40 C1' C A 9 4.871 -10.231 -5.080 1.00 0.00 C ATOM 41 N1 C A 9 5.056 -8.776 -5.257 1.00 0.00 N ATOM 42 C2 C A 9 5.375 -7.984 -4.139 1.00 0.00 C ATOM 43 O2 C A 9 5.489 -8.523 -3.025 1.00 0.00 O ATOM 44 N3 C A 9 5.550 -6.654 -4.304 1.00 0.00 N ATOM 45 C4 C A 9 5.421 -6.107 -5.516 1.00 0.00 C ATOM 46 N4 C A 9 5.603 -4.790 -5.629 1.00 0.00 N ATOM 47 C5 C A 9 5.100 -6.886 -6.665 1.00 0.00 C ATOM 48 C6 C A 9 4.926 -8.202 -6.492 1.00 0.00 C ATOM 0 H5' C A 9 4.688 -11.870 -8.726 1.00 0.00 H new ATOM 0 H5'' C A 9 2.959 -12.116 -8.574 1.00 0.00 H new ATOM 0 H4' C A 9 3.976 -12.683 -6.546 1.00 0.00 H new ATOM 0 H3' C A 9 2.313 -10.166 -6.404 1.00 0.00 H new ATOM 0 H2' C A 9 2.925 -9.869 -4.055 1.00 0.00 H new ATOM 0 HO2' C A 9 2.868 -12.384 -3.930 1.00 0.00 H new ATOM 0 H1' C A 9 5.570 -10.539 -4.302 1.00 0.00 H new ATOM 0 H41 C A 9 5.512 -4.339 -6.539 1.00 0.00 H new ATOM 0 H42 C A 9 5.833 -4.234 -4.805 1.00 0.00 H new ATOM 0 H5 C A 9 5.001 -6.431 -7.640 1.00 0.00 H new ATOM 0 H6 C A 9 4.679 -8.821 -7.342 1.00 0.00 H new ATOM 60 P G A 10 0.231 -11.569 -6.080 1.00 0.00 P ATOM 61 OP1 G A 10 -0.440 -12.792 -6.589 1.00 0.00 O ATOM 62 OP2 G A 10 0.240 -10.339 -6.919 1.00 0.00 O ATOM 63 O5' G A 10 -0.410 -11.220 -4.662 1.00 0.00 O ATOM 64 C5' G A 10 -0.462 -9.878 -4.185 1.00 0.00 C ATOM 65 C4' G A 10 0.271 -9.765 -2.867 1.00 0.00 C ATOM 66 O4' G A 10 1.480 -8.986 -3.082 1.00 0.00 O ATOM 67 C3' G A 10 -0.501 -9.056 -1.756 1.00 0.00 C ATOM 68 O3' G A 10 -0.345 -9.691 -0.472 1.00 0.00 O ATOM 69 C2' G A 10 0.015 -7.620 -1.815 1.00 0.00 C ATOM 70 O2' G A 10 0.042 -7.051 -0.528 1.00 0.00 O ATOM 71 C1' G A 10 1.450 -7.813 -2.295 1.00 0.00 C ATOM 72 N9 G A 10 1.947 -6.700 -3.102 1.00 0.00 N ATOM 73 C8 G A 10 2.040 -6.653 -4.470 1.00 0.00 C ATOM 74 N7 G A 10 2.515 -5.524 -4.918 1.00 0.00 N ATOM 75 C5 G A 10 2.754 -4.775 -3.773 1.00 0.00 C ATOM 76 C6 G A 10 3.272 -3.460 -3.625 1.00 0.00 C ATOM 77 O6 G A 10 3.630 -2.667 -4.505 1.00 0.00 O ATOM 78 N1 G A 10 3.352 -3.090 -2.287 1.00 0.00 N ATOM 79 C2 G A 10 2.981 -3.879 -1.226 1.00 0.00 C ATOM 80 N2 G A 10 3.134 -3.342 -0.007 1.00 0.00 N ATOM 81 N3 G A 10 2.495 -5.103 -1.350 1.00 0.00 N ATOM 82 C4 G A 10 2.410 -5.486 -2.642 1.00 0.00 C ATOM 0 H5' G A 10 -1.500 -9.568 -4.060 1.00 0.00 H new ATOM 0 H5'' G A 10 -0.015 -9.206 -4.917 1.00 0.00 H new ATOM 0 H4' G A 10 0.447 -10.791 -2.543 1.00 0.00 H new ATOM 0 H3' G A 10 -1.581 -9.096 -1.898 1.00 0.00 H new ATOM 0 H2' G A 10 -0.595 -6.970 -2.442 1.00 0.00 H new ATOM 0 HO2' G A 10 0.093 -6.075 -0.603 1.00 0.00 H new ATOM 0 H1' G A 10 2.091 -7.877 -1.416 1.00 0.00 H new ATOM 0 H8 G A 10 1.749 -7.471 -5.113 1.00 0.00 H new ATOM 0 H1 G A 10 3.715 -2.160 -2.077 1.00 0.00 H new ATOM 0 H21 G A 10 2.877 -3.877 0.822 1.00 0.00 H new ATOM 0 H22 G A 10 3.508 -2.398 0.091 1.00 0.00 H new ATOM 94 P U A 11 1.115 -9.879 0.198 1.00 0.00 P ATOM 95 OP1 U A 11 2.103 -10.288 -0.835 1.00 0.00 O ATOM 96 OP2 U A 11 0.913 -10.741 1.391 1.00 0.00 O ATOM 97 O5' U A 11 1.493 -8.424 0.730 1.00 0.00 O ATOM 98 C5' U A 11 2.851 -7.995 0.801 1.00 0.00 C ATOM 99 C4' U A 11 3.016 -6.926 1.861 1.00 0.00 C ATOM 100 O4' U A 11 2.507 -5.664 1.341 1.00 0.00 O ATOM 101 C3' U A 11 2.283 -7.166 3.184 1.00 0.00 C ATOM 102 O3' U A 11 3.087 -6.879 4.345 1.00 0.00 O ATOM 103 C2' U A 11 1.041 -6.283 3.069 1.00 0.00 C ATOM 104 O2' U A 11 0.631 -5.799 4.334 1.00 0.00 O ATOM 105 C1' U A 11 1.576 -5.115 2.247 1.00 0.00 C ATOM 106 N1 U A 11 0.565 -4.359 1.487 1.00 0.00 N ATOM 107 C2 U A 11 0.495 -2.986 1.695 1.00 0.00 C ATOM 108 O2 U A 11 1.228 -2.388 2.469 1.00 0.00 O ATOM 109 N3 U A 11 -0.468 -2.338 0.962 1.00 0.00 N ATOM 110 C4 U A 11 -1.354 -2.901 0.070 1.00 0.00 C ATOM 111 O4 U A 11 -2.179 -2.185 -0.499 1.00 0.00 O ATOM 112 C5 U A 11 -1.218 -4.313 -0.091 1.00 0.00 C ATOM 113 C6 U A 11 -0.289 -4.981 0.598 1.00 0.00 C ATOM 0 H5' U A 11 3.167 -7.607 -0.167 1.00 0.00 H new ATOM 0 H5'' U A 11 3.495 -8.844 1.029 1.00 0.00 H new ATOM 0 H4' U A 11 4.084 -6.930 2.081 1.00 0.00 H new ATOM 0 H3' U A 11 2.031 -8.216 3.334 1.00 0.00 H new ATOM 0 H2' U A 11 0.182 -6.804 2.646 1.00 0.00 H new ATOM 0 HO2' U A 11 -0.290 -5.468 4.275 1.00 0.00 H new ATOM 0 H1' U A 11 2.000 -4.392 2.944 1.00 0.00 H new ATOM 0 H3 U A 11 -0.535 -1.329 1.092 1.00 0.00 H new ATOM 0 H5 U A 11 -1.868 -4.842 -0.772 1.00 0.00 H new ATOM 0 H6 U A 11 -0.203 -6.048 0.454 1.00 0.00 H new ATOM 124 P U A 12 3.909 -5.491 4.474 1.00 0.00 P ATOM 125 OP1 U A 12 4.515 -5.130 3.167 1.00 0.00 O ATOM 126 OP2 U A 12 4.788 -5.641 5.663 1.00 0.00 O ATOM 127 O5' U A 12 2.795 -4.401 4.810 1.00 0.00 O ATOM 128 C5' U A 12 2.441 -4.093 6.157 1.00 0.00 C ATOM 129 C4' U A 12 1.990 -2.654 6.257 1.00 0.00 C ATOM 130 O4' U A 12 0.859 -2.458 5.360 1.00 0.00 O ATOM 131 C3' U A 12 1.502 -2.216 7.637 1.00 0.00 C ATOM 132 O3' U A 12 1.872 -0.867 7.903 1.00 0.00 O ATOM 133 C2' U A 12 -0.010 -2.391 7.545 1.00 0.00 C ATOM 134 O2' U A 12 -0.691 -1.475 8.382 1.00 0.00 O ATOM 135 C1' U A 12 -0.259 -1.997 6.092 1.00 0.00 C ATOM 136 N1 U A 12 -1.479 -2.576 5.505 1.00 0.00 N ATOM 137 C2 U A 12 -2.673 -1.880 5.661 1.00 0.00 C ATOM 138 O2 U A 12 -2.755 -0.818 6.259 1.00 0.00 O ATOM 139 N3 U A 12 -3.769 -2.477 5.088 1.00 0.00 N ATOM 140 C4 U A 12 -3.799 -3.667 4.393 1.00 0.00 C ATOM 141 O4 U A 12 -4.867 -4.074 3.934 1.00 0.00 O ATOM 142 C5 U A 12 -2.533 -4.321 4.277 1.00 0.00 C ATOM 143 C6 U A 12 -1.442 -3.772 4.821 1.00 0.00 C ATOM 0 H5' U A 12 3.295 -4.262 6.814 1.00 0.00 H new ATOM 0 H5'' U A 12 1.644 -4.757 6.493 1.00 0.00 H new ATOM 0 H4' U A 12 2.874 -2.065 6.012 1.00 0.00 H new ATOM 0 H3' U A 12 1.936 -2.791 8.455 1.00 0.00 H new ATOM 0 H2' U A 12 -0.348 -3.385 7.838 1.00 0.00 H new ATOM 0 HO2' U A 12 -0.248 -1.439 9.256 1.00 0.00 H new ATOM 0 H1' U A 12 -0.398 -0.917 6.053 1.00 0.00 H new ATOM 0 H3 U A 12 -4.658 -1.986 5.188 1.00 0.00 H new ATOM 0 H5 U A 12 -2.458 -5.260 3.749 1.00 0.00 H new ATOM 0 H6 U A 12 -0.497 -4.285 4.721 1.00 0.00 H new ATOM 154 P G A 13 2.207 -0.412 9.408 1.00 0.00 P ATOM 155 OP1 G A 13 3.615 -0.781 9.702 1.00 0.00 O ATOM 156 OP2 G A 13 1.119 -0.910 10.289 1.00 0.00 O ATOM 157 O5' G A 13 2.109 1.178 9.358 1.00 0.00 O ATOM 158 C5' G A 13 0.937 1.824 8.867 1.00 0.00 C ATOM 159 C4' G A 13 1.317 3.035 8.048 1.00 0.00 C ATOM 160 O4' G A 13 1.404 2.663 6.655 1.00 0.00 O ATOM 161 C3' G A 13 0.305 4.170 8.047 1.00 0.00 C ATOM 162 O3' G A 13 0.459 5.002 9.191 1.00 0.00 O ATOM 163 C2' G A 13 0.614 4.916 6.748 1.00 0.00 C ATOM 164 O2' G A 13 1.624 5.887 6.946 1.00 0.00 O ATOM 165 C1' G A 13 1.186 3.808 5.855 1.00 0.00 C ATOM 166 N9 G A 13 0.313 3.440 4.742 1.00 0.00 N ATOM 167 C8 G A 13 -0.243 2.207 4.495 1.00 0.00 C ATOM 168 N7 G A 13 -0.985 2.181 3.422 1.00 0.00 N ATOM 169 C5 G A 13 -0.916 3.476 2.925 1.00 0.00 C ATOM 170 C6 G A 13 -1.521 4.056 1.777 1.00 0.00 C ATOM 171 O6 G A 13 -2.267 3.525 0.944 1.00 0.00 O ATOM 172 N1 G A 13 -1.181 5.398 1.643 1.00 0.00 N ATOM 173 C2 G A 13 -0.369 6.097 2.501 1.00 0.00 C ATOM 174 N2 G A 13 -0.158 7.386 2.196 1.00 0.00 N ATOM 175 N3 G A 13 0.196 5.572 3.576 1.00 0.00 N ATOM 176 C4 G A 13 -0.117 4.266 3.726 1.00 0.00 C ATOM 0 H5' G A 13 0.301 2.124 9.700 1.00 0.00 H new ATOM 0 H5'' G A 13 0.358 1.130 8.258 1.00 0.00 H new ATOM 0 H4' G A 13 2.246 3.374 8.506 1.00 0.00 H new ATOM 0 H3' G A 13 -0.728 3.825 8.094 1.00 0.00 H new ATOM 0 H2' G A 13 -0.258 5.432 6.347 1.00 0.00 H new ATOM 0 HO2' G A 13 1.643 6.151 7.889 1.00 0.00 H new ATOM 0 H1' G A 13 2.108 4.191 5.418 1.00 0.00 H new ATOM 0 H8 G A 13 -0.082 1.346 5.126 1.00 0.00 H new ATOM 0 H1 G A 13 -1.565 5.903 0.844 1.00 0.00 H new ATOM 0 H21 G A 13 0.436 7.961 2.794 1.00 0.00 H new ATOM 0 H22 G A 13 -0.592 7.791 1.367 1.00 0.00 H new ATOM 188 P A A 14 -0.775 5.207 10.202 1.00 0.00 P ATOM 189 OP1 A A 14 -0.351 6.176 11.244 1.00 0.00 O ATOM 190 OP2 A A 14 -1.249 3.857 10.606 1.00 0.00 O ATOM 191 O5' A A 14 -1.896 5.906 9.309 1.00 0.00 O ATOM 192 C5' A A 14 -2.887 5.138 8.629 1.00 0.00 C ATOM 193 C4' A A 14 -3.303 5.836 7.357 1.00 0.00 C ATOM 194 O4' A A 14 -2.574 5.255 6.243 1.00 0.00 O ATOM 195 C3' A A 14 -4.770 5.676 6.980 1.00 0.00 C ATOM 196 O3' A A 14 -5.586 6.659 7.605 1.00 0.00 O ATOM 197 C2' A A 14 -4.748 5.830 5.464 1.00 0.00 C ATOM 198 O2' A A 14 -4.679 7.191 5.082 1.00 0.00 O ATOM 199 C1' A A 14 -3.421 5.158 5.112 1.00 0.00 C ATOM 200 N9 A A 14 -3.559 3.744 4.757 1.00 0.00 N ATOM 201 C8 A A 14 -3.127 2.654 5.473 1.00 0.00 C ATOM 202 N7 A A 14 -3.397 1.505 4.902 1.00 0.00 N ATOM 203 C5 A A 14 -4.047 1.861 3.729 1.00 0.00 C ATOM 204 C6 A A 14 -4.588 1.097 2.680 1.00 0.00 C ATOM 205 N6 A A 14 -4.557 -0.237 2.643 1.00 0.00 N ATOM 206 N1 A A 14 -5.170 1.759 1.656 1.00 0.00 N ATOM 207 C2 A A 14 -5.200 3.097 1.693 1.00 0.00 C ATOM 208 N3 A A 14 -4.725 3.925 2.621 1.00 0.00 N ATOM 209 C4 A A 14 -4.154 3.236 3.625 1.00 0.00 C ATOM 0 H5' A A 14 -3.754 4.995 9.275 1.00 0.00 H new ATOM 0 H5'' A A 14 -2.495 4.148 8.398 1.00 0.00 H new ATOM 0 H4' A A 14 -3.101 6.891 7.544 1.00 0.00 H new ATOM 0 H3' A A 14 -5.197 4.727 7.305 1.00 0.00 H new ATOM 0 H2' A A 14 -5.633 5.417 4.979 1.00 0.00 H new ATOM 0 HO2' A A 14 -5.030 7.752 5.805 1.00 0.00 H new ATOM 0 H1' A A 14 -3.016 5.667 4.237 1.00 0.00 H new ATOM 0 H8 A A 14 -2.612 2.736 6.419 1.00 0.00 H new ATOM 0 H61 A A 14 -4.967 -0.735 1.853 1.00 0.00 H new ATOM 0 H62 A A 14 -4.123 -0.758 3.405 1.00 0.00 H new ATOM 0 H2 A A 14 -5.678 3.573 0.849 1.00 0.00 H new ATOM 221 P A A 15 -6.741 6.203 8.627 1.00 0.00 P ATOM 222 OP1 A A 15 -7.578 7.390 8.944 1.00 0.00 O ATOM 223 OP2 A A 15 -6.079 5.459 9.729 1.00 0.00 O ATOM 224 O5' A A 15 -7.612 5.162 7.789 1.00 0.00 O ATOM 225 C5' A A 15 -8.693 5.595 6.965 1.00 0.00 C ATOM 226 C4' A A 15 -8.240 5.705 5.526 1.00 0.00 C ATOM 227 O4' A A 15 -7.405 4.554 5.211 1.00 0.00 O ATOM 228 C3' A A 15 -9.364 5.703 4.490 1.00 0.00 C ATOM 229 O3' A A 15 -9.103 6.628 3.438 1.00 0.00 O ATOM 230 C2' A A 15 -9.387 4.262 3.989 1.00 0.00 C ATOM 231 O2' A A 15 -9.759 4.188 2.633 1.00 0.00 O ATOM 232 C1' A A 15 -7.914 3.891 4.074 1.00 0.00 C ATOM 233 N9 A A 15 -7.663 2.455 4.217 1.00 0.00 N ATOM 234 C8 A A 15 -6.898 1.852 5.178 1.00 0.00 C ATOM 235 N7 A A 15 -6.841 0.547 5.072 1.00 0.00 N ATOM 236 C5 A A 15 -7.625 0.269 3.962 1.00 0.00 C ATOM 237 C6 A A 15 -7.969 -0.936 3.325 1.00 0.00 C ATOM 238 N6 A A 15 -7.548 -2.135 3.732 1.00 0.00 N ATOM 239 N1 A A 15 -8.771 -0.865 2.240 1.00 0.00 N ATOM 240 C2 A A 15 -9.193 0.338 1.832 1.00 0.00 C ATOM 241 N3 A A 15 -8.938 1.539 2.347 1.00 0.00 N ATOM 242 C4 A A 15 -8.139 1.435 3.423 1.00 0.00 C ATOM 0 H5' A A 15 -9.061 6.560 7.313 1.00 0.00 H new ATOM 0 H5'' A A 15 -9.522 4.891 7.040 1.00 0.00 H new ATOM 0 H4' A A 15 -7.727 6.665 5.462 1.00 0.00 H new ATOM 0 H3' A A 15 -10.323 6.015 4.903 1.00 0.00 H new ATOM 0 H2' A A 15 -10.082 3.636 4.548 1.00 0.00 H new ATOM 0 HO2' A A 15 -10.627 3.740 2.556 1.00 0.00 H new ATOM 0 H1' A A 15 -7.434 4.185 3.141 1.00 0.00 H new ATOM 0 H8 A A 15 -6.387 2.402 5.954 1.00 0.00 H new ATOM 0 H61 A A 15 -7.833 -2.974 3.227 1.00 0.00 H new ATOM 0 H62 A A 15 -6.941 -2.212 4.548 1.00 0.00 H new ATOM 0 H2 A A 15 -9.831 0.334 0.961 1.00 0.00 H new ATOM 254 P U A 16 -10.318 7.187 2.541 1.00 0.00 P ATOM 255 OP1 U A 16 -10.543 8.597 2.948 1.00 0.00 O ATOM 256 OP2 U A 16 -11.451 6.225 2.582 1.00 0.00 O ATOM 257 O5' U A 16 -9.737 7.196 1.057 1.00 0.00 O ATOM 258 C5' U A 16 -9.047 6.062 0.526 1.00 0.00 C ATOM 259 C4' U A 16 -9.845 5.429 -0.598 1.00 0.00 C ATOM 260 O4' U A 16 -10.478 4.217 -0.098 1.00 0.00 O ATOM 261 C3' U A 16 -10.972 6.278 -1.186 1.00 0.00 C ATOM 262 O3' U A 16 -11.024 6.143 -2.603 1.00 0.00 O ATOM 263 C2' U A 16 -12.223 5.737 -0.499 1.00 0.00 C ATOM 264 O2' U A 16 -13.360 5.846 -1.335 1.00 0.00 O ATOM 265 C1' U A 16 -11.867 4.260 -0.356 1.00 0.00 C ATOM 266 N1 U A 16 -12.573 3.554 0.729 1.00 0.00 N ATOM 267 C2 U A 16 -13.877 3.128 0.497 1.00 0.00 C ATOM 268 O2 U A 16 -14.463 3.309 -0.559 1.00 0.00 O ATOM 269 N3 U A 16 -14.470 2.480 1.554 1.00 0.00 N ATOM 270 C4 U A 16 -13.913 2.219 2.788 1.00 0.00 C ATOM 271 O4 U A 16 -14.576 1.625 3.640 1.00 0.00 O ATOM 272 C5 U A 16 -12.571 2.687 2.945 1.00 0.00 C ATOM 273 C6 U A 16 -11.960 3.319 1.941 1.00 0.00 C ATOM 0 H5' U A 16 -8.878 5.330 1.316 1.00 0.00 H new ATOM 0 H5'' U A 16 -8.067 6.366 0.157 1.00 0.00 H new ATOM 0 H4' U A 16 -9.114 5.270 -1.390 1.00 0.00 H new ATOM 0 H3' U A 16 -10.846 7.347 -1.016 1.00 0.00 H new ATOM 0 H2' U A 16 -12.467 6.261 0.425 1.00 0.00 H new ATOM 0 HO2' U A 16 -13.926 5.054 -1.223 1.00 0.00 H new ATOM 0 H1' U A 16 -12.167 3.751 -1.272 1.00 0.00 H new ATOM 0 H3 U A 16 -15.427 2.157 1.410 1.00 0.00 H new ATOM 0 H5 U A 16 -12.051 2.529 3.878 1.00 0.00 H new ATOM 0 H6 U A 16 -10.945 3.660 2.084 1.00 0.00 H new ATOM 284 P C A 17 -11.028 7.457 -3.536 1.00 0.00 P ATOM 285 OP1 C A 17 -11.813 8.521 -2.857 1.00 0.00 O ATOM 286 OP2 C A 17 -11.421 7.018 -4.898 1.00 0.00 O ATOM 287 O5' C A 17 -9.504 7.932 -3.598 1.00 0.00 O ATOM 288 C5' C A 17 -8.437 7.085 -3.166 1.00 0.00 C ATOM 289 C4' C A 17 -7.785 6.407 -4.352 1.00 0.00 C ATOM 290 O4' C A 17 -6.918 5.353 -3.851 1.00 0.00 O ATOM 291 C3' C A 17 -8.739 5.734 -5.338 1.00 0.00 C ATOM 292 O3' C A 17 -8.345 5.914 -6.714 1.00 0.00 O ATOM 293 C2' C A 17 -8.774 4.279 -4.869 1.00 0.00 C ATOM 294 O2' C A 17 -8.952 3.392 -5.957 1.00 0.00 O ATOM 295 C1' C A 17 -7.365 4.093 -4.312 1.00 0.00 C ATOM 296 N1 C A 17 -7.288 3.133 -3.195 1.00 0.00 N ATOM 297 C2 C A 17 -6.843 1.825 -3.449 1.00 0.00 C ATOM 298 O2 C A 17 -6.538 1.502 -4.610 1.00 0.00 O ATOM 299 N3 C A 17 -6.760 0.947 -2.424 1.00 0.00 N ATOM 300 C4 C A 17 -7.099 1.325 -1.189 1.00 0.00 C ATOM 301 N4 C A 17 -6.996 0.424 -0.210 1.00 0.00 N ATOM 302 C5 C A 17 -7.559 2.644 -0.902 1.00 0.00 C ATOM 303 C6 C A 17 -7.639 3.506 -1.926 1.00 0.00 C ATOM 0 H5' C A 17 -8.818 6.334 -2.475 1.00 0.00 H new ATOM 0 H5'' C A 17 -7.696 7.672 -2.623 1.00 0.00 H new ATOM 0 H4' C A 17 -7.274 7.206 -4.890 1.00 0.00 H new ATOM 0 H3' C A 17 -9.736 6.174 -5.336 1.00 0.00 H new ATOM 0 H2' C A 17 -9.584 4.079 -4.167 1.00 0.00 H new ATOM 0 HO2' C A 17 -8.085 3.212 -6.378 1.00 0.00 H new ATOM 0 H1' C A 17 -6.746 3.689 -5.113 1.00 0.00 H new ATOM 0 H41 C A 17 -7.246 0.678 0.746 1.00 0.00 H new ATOM 0 H42 C A 17 -6.667 -0.519 -0.417 1.00 0.00 H new ATOM 0 H5 C A 17 -7.832 2.937 0.101 1.00 0.00 H new ATOM 0 H6 C A 17 -7.987 4.513 -1.746 1.00 0.00 H new ATOM 315 P U A 18 -6.886 5.451 -7.242 1.00 0.00 P ATOM 316 OP1 U A 18 -6.720 6.073 -8.582 1.00 0.00 O ATOM 317 OP2 U A 18 -6.755 3.979 -7.106 1.00 0.00 O ATOM 318 O5' U A 18 -5.845 6.139 -6.247 1.00 0.00 O ATOM 319 C5' U A 18 -5.363 7.464 -6.475 1.00 0.00 C ATOM 320 C4' U A 18 -3.899 7.430 -6.860 1.00 0.00 C ATOM 321 O4' U A 18 -3.227 6.424 -6.052 1.00 0.00 O ATOM 322 C3' U A 18 -3.614 7.051 -8.314 1.00 0.00 C ATOM 323 O3' U A 18 -2.476 7.728 -8.858 1.00 0.00 O ATOM 324 C2' U A 18 -3.368 5.547 -8.237 1.00 0.00 C ATOM 325 O2' U A 18 -2.475 5.114 -9.246 1.00 0.00 O ATOM 326 C1' U A 18 -2.664 5.432 -6.887 1.00 0.00 C ATOM 327 N1 U A 18 -2.820 4.124 -6.230 1.00 0.00 N ATOM 328 C2 U A 18 -1.970 3.090 -6.609 1.00 0.00 C ATOM 329 O2 U A 18 -1.097 3.217 -7.454 1.00 0.00 O ATOM 330 N3 U A 18 -2.183 1.899 -5.959 1.00 0.00 N ATOM 331 C4 U A 18 -3.132 1.638 -4.993 1.00 0.00 C ATOM 332 O4 U A 18 -3.209 0.508 -4.509 1.00 0.00 O ATOM 333 C5 U A 18 -3.962 2.753 -4.657 1.00 0.00 C ATOM 334 C6 U A 18 -3.784 3.929 -5.267 1.00 0.00 C ATOM 0 H5' U A 18 -5.496 8.067 -5.577 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.943 7.939 -7.266 1.00 0.00 H new ATOM 0 H4' U A 18 -3.545 8.449 -6.703 1.00 0.00 H new ATOM 0 H3' U A 18 -4.433 7.333 -8.975 1.00 0.00 H new ATOM 0 H2' U A 18 -4.277 4.957 -8.355 1.00 0.00 H new ATOM 0 HO2' U A 18 -1.890 4.414 -8.887 1.00 0.00 H new ATOM 0 H1' U A 18 -1.594 5.556 -7.056 1.00 0.00 H new ATOM 0 H3 U A 18 -1.573 1.124 -6.219 1.00 0.00 H new ATOM 0 H5 U A 18 -4.734 2.645 -3.909 1.00 0.00 H new ATOM 0 H6 U A 18 -4.421 4.758 -4.994 1.00 0.00 H new ATOM 345 P C A 19 -2.241 9.297 -8.564 1.00 0.00 P ATOM 346 OP1 C A 19 -3.567 9.955 -8.429 1.00 0.00 O ATOM 347 OP2 C A 19 -1.271 9.807 -9.567 1.00 0.00 O ATOM 348 O5' C A 19 -1.530 9.319 -7.137 1.00 0.00 O ATOM 349 C5' C A 19 -0.470 8.414 -6.832 1.00 0.00 C ATOM 350 C4' C A 19 0.258 8.863 -5.587 1.00 0.00 C ATOM 351 O4' C A 19 -0.716 9.162 -4.550 1.00 0.00 O ATOM 352 C3' C A 19 1.170 7.819 -4.957 1.00 0.00 C ATOM 353 O3' C A 19 2.462 7.807 -5.556 1.00 0.00 O ATOM 354 C2' C A 19 1.215 8.253 -3.498 1.00 0.00 C ATOM 355 O2' C A 19 2.097 9.345 -3.307 1.00 0.00 O ATOM 356 C1' C A 19 -0.219 8.742 -3.289 1.00 0.00 C ATOM 357 N1 C A 19 -1.119 7.703 -2.750 1.00 0.00 N ATOM 358 C2 C A 19 -1.198 7.515 -1.357 1.00 0.00 C ATOM 359 O2 C A 19 -0.522 8.239 -0.606 1.00 0.00 O ATOM 360 N3 C A 19 -2.010 6.551 -0.869 1.00 0.00 N ATOM 361 C4 C A 19 -2.726 5.792 -1.703 1.00 0.00 C ATOM 362 N4 C A 19 -3.502 4.843 -1.173 1.00 0.00 N ATOM 363 C5 C A 19 -2.675 5.968 -3.117 1.00 0.00 C ATOM 364 C6 C A 19 -1.865 6.924 -3.592 1.00 0.00 C ATOM 0 H5' C A 19 0.225 8.362 -7.670 1.00 0.00 H new ATOM 0 H5'' C A 19 -0.870 7.410 -6.686 1.00 0.00 H new ATOM 0 H4' C A 19 0.860 9.709 -5.917 1.00 0.00 H new ATOM 0 H3' C A 19 0.812 6.798 -5.088 1.00 0.00 H new ATOM 0 H2' C A 19 1.552 7.464 -2.826 1.00 0.00 H new ATOM 0 HO2' C A 19 2.695 9.421 -4.079 1.00 0.00 H new ATOM 0 H1' C A 19 -0.194 9.549 -2.557 1.00 0.00 H new ATOM 0 H41 C A 19 -4.063 4.245 -1.780 1.00 0.00 H new ATOM 0 H42 C A 19 -3.534 4.717 -0.161 1.00 0.00 H new ATOM 0 H5 C A 19 -3.267 5.354 -3.780 1.00 0.00 H new ATOM 0 H6 C A 19 -1.800 7.082 -4.658 1.00 0.00 H new ATOM 376 P A A 20 3.416 6.521 -5.377 1.00 0.00 P ATOM 377 OP1 A A 20 4.569 6.683 -6.299 1.00 0.00 O ATOM 378 OP2 A A 20 2.562 5.307 -5.480 1.00 0.00 O ATOM 379 O5' A A 20 3.962 6.652 -3.884 1.00 0.00 O ATOM 380 C5' A A 20 3.822 5.586 -2.945 1.00 0.00 C ATOM 381 C4' A A 20 3.093 6.075 -1.714 1.00 0.00 C ATOM 382 O4' A A 20 1.683 5.752 -1.856 1.00 0.00 O ATOM 383 C3' A A 20 3.535 5.457 -0.388 1.00 0.00 C ATOM 384 O3' A A 20 3.528 6.420 0.659 1.00 0.00 O ATOM 385 C2' A A 20 2.537 4.331 -0.157 1.00 0.00 C ATOM 386 O2' A A 20 2.273 4.161 1.223 1.00 0.00 O ATOM 387 C1' A A 20 1.278 4.880 -0.820 1.00 0.00 C ATOM 388 N9 A A 20 0.440 3.831 -1.406 1.00 0.00 N ATOM 389 C8 A A 20 -0.383 3.925 -2.500 1.00 0.00 C ATOM 390 N7 A A 20 -1.013 2.810 -2.786 1.00 0.00 N ATOM 391 C5 A A 20 -0.569 1.919 -1.818 1.00 0.00 C ATOM 392 C6 A A 20 -0.855 0.565 -1.570 1.00 0.00 C ATOM 393 N6 A A 20 -1.701 -0.160 -2.304 1.00 0.00 N ATOM 394 N1 A A 20 -0.232 -0.026 -0.526 1.00 0.00 N ATOM 395 C2 A A 20 0.618 0.704 0.210 1.00 0.00 C ATOM 396 N3 A A 20 0.952 1.975 0.084 1.00 0.00 N ATOM 397 C4 A A 20 0.322 2.535 -0.961 1.00 0.00 C ATOM 0 H5' A A 20 4.804 5.203 -2.668 1.00 0.00 H new ATOM 0 H5'' A A 20 3.274 4.760 -3.399 1.00 0.00 H new ATOM 0 H4' A A 20 3.316 7.141 -1.664 1.00 0.00 H new ATOM 0 H3' A A 20 4.560 5.088 -0.410 1.00 0.00 H new ATOM 0 H2' A A 20 2.886 3.371 -0.538 1.00 0.00 H new ATOM 0 HO2' A A 20 1.726 3.358 1.355 1.00 0.00 H new ATOM 0 H1' A A 20 0.686 5.383 -0.055 1.00 0.00 H new ATOM 0 H8 A A 20 -0.501 4.833 -3.073 1.00 0.00 H new ATOM 0 H61 A A 20 -1.866 -1.140 -2.073 1.00 0.00 H new ATOM 0 H62 A A 20 -2.182 0.265 -3.096 1.00 0.00 H new ATOM 0 H2 A A 20 1.098 0.177 1.022 1.00 0.00 H new ATOM 409 P C A 21 4.866 7.251 0.990 1.00 0.00 P ATOM 410 OP1 C A 21 4.501 8.269 2.007 1.00 0.00 O ATOM 411 OP2 C A 21 5.487 7.685 -0.290 1.00 0.00 O ATOM 412 O5' C A 21 5.824 6.186 1.691 1.00 0.00 O ATOM 413 C5' C A 21 6.572 5.243 0.924 1.00 0.00 C ATOM 414 C4' C A 21 6.392 3.855 1.491 1.00 0.00 C ATOM 415 O4' C A 21 5.124 3.316 1.043 1.00 0.00 O ATOM 416 C3' C A 21 7.406 2.819 1.031 1.00 0.00 C ATOM 417 O3' C A 21 8.609 2.895 1.793 1.00 0.00 O ATOM 418 C2' C A 21 6.663 1.502 1.244 1.00 0.00 C ATOM 419 O2' C A 21 6.744 1.079 2.591 1.00 0.00 O ATOM 420 C1' C A 21 5.214 1.905 0.953 1.00 0.00 C ATOM 421 N1 C A 21 4.731 1.480 -0.378 1.00 0.00 N ATOM 422 C2 C A 21 4.246 0.169 -0.540 1.00 0.00 C ATOM 423 O2 C A 21 4.230 -0.597 0.439 1.00 0.00 O ATOM 424 N3 C A 21 3.807 -0.227 -1.756 1.00 0.00 N ATOM 425 C4 C A 21 3.834 0.622 -2.785 1.00 0.00 C ATOM 426 N4 C A 21 3.396 0.183 -3.967 1.00 0.00 N ATOM 427 C5 C A 21 4.313 1.958 -2.650 1.00 0.00 C ATOM 428 C6 C A 21 4.751 2.340 -1.443 1.00 0.00 C ATOM 0 H5' C A 21 7.628 5.513 0.931 1.00 0.00 H new ATOM 0 H5'' C A 21 6.244 5.265 -0.115 1.00 0.00 H new ATOM 0 H4' C A 21 6.489 4.001 2.567 1.00 0.00 H new ATOM 0 H3' C A 21 7.733 2.954 0.000 1.00 0.00 H new ATOM 0 H2' C A 21 7.058 0.691 0.632 1.00 0.00 H new ATOM 0 HO2' C A 21 7.042 0.146 2.624 1.00 0.00 H new ATOM 0 H1' C A 21 4.584 1.400 1.686 1.00 0.00 H new ATOM 0 H41 C A 21 3.402 0.804 -4.776 1.00 0.00 H new ATOM 0 H42 C A 21 3.055 -0.774 -4.061 1.00 0.00 H new ATOM 0 H5 C A 21 4.322 2.637 -3.490 1.00 0.00 H new ATOM 0 H6 C A 21 5.126 3.344 -1.308 1.00 0.00 H new ATOM 440 P G A 22 9.920 2.098 1.305 1.00 0.00 P ATOM 441 OP1 G A 22 11.090 2.650 2.035 1.00 0.00 O ATOM 442 OP2 G A 22 9.927 2.081 -0.182 1.00 0.00 O ATOM 443 O5' G A 22 9.674 0.607 1.812 1.00 0.00 O ATOM 444 C5' G A 22 9.642 0.303 3.205 1.00 0.00 C ATOM 445 C4' G A 22 9.202 -1.127 3.417 1.00 0.00 C ATOM 446 O4' G A 22 7.931 -1.337 2.744 1.00 0.00 O ATOM 447 C3' G A 22 10.121 -2.190 2.831 1.00 0.00 C ATOM 448 O3' G A 22 11.180 -2.519 3.722 1.00 0.00 O ATOM 449 C2' G A 22 9.172 -3.361 2.604 1.00 0.00 C ATOM 450 O2' G A 22 8.911 -4.058 3.808 1.00 0.00 O ATOM 451 C1' G A 22 7.898 -2.635 2.176 1.00 0.00 C ATOM 452 N9 G A 22 7.754 -2.504 0.727 1.00 0.00 N ATOM 453 C8 G A 22 7.957 -1.373 -0.028 1.00 0.00 C ATOM 454 N7 G A 22 7.750 -1.560 -1.302 1.00 0.00 N ATOM 455 C5 G A 22 7.387 -2.897 -1.399 1.00 0.00 C ATOM 456 C6 G A 22 7.041 -3.675 -2.534 1.00 0.00 C ATOM 457 O6 G A 22 6.985 -3.326 -3.719 1.00 0.00 O ATOM 458 N1 G A 22 6.740 -4.987 -2.183 1.00 0.00 N ATOM 459 C2 G A 22 6.767 -5.488 -0.905 1.00 0.00 C ATOM 460 N2 G A 22 6.444 -6.783 -0.770 1.00 0.00 N ATOM 461 N3 G A 22 7.087 -4.775 0.161 1.00 0.00 N ATOM 462 C4 G A 22 7.384 -3.495 -0.156 1.00 0.00 C ATOM 0 H5' G A 22 8.959 0.981 3.717 1.00 0.00 H new ATOM 0 H5'' G A 22 10.629 0.456 3.641 1.00 0.00 H new ATOM 0 H4' G A 22 9.180 -1.241 4.501 1.00 0.00 H new ATOM 0 H3' G A 22 10.629 -1.872 1.921 1.00 0.00 H new ATOM 0 H2' G A 22 9.560 -4.097 1.899 1.00 0.00 H new ATOM 0 HO2' G A 22 8.299 -4.802 3.629 1.00 0.00 H new ATOM 0 H1' G A 22 7.051 -3.227 2.522 1.00 0.00 H new ATOM 0 H8 G A 22 8.258 -0.425 0.392 1.00 0.00 H new ATOM 0 H1 G A 22 6.479 -5.627 -2.933 1.00 0.00 H new ATOM 0 H21 G A 22 6.445 -7.215 0.154 1.00 0.00 H new ATOM 0 H22 G A 22 6.197 -7.335 -1.591 1.00 0.00 H new ATOM 474 P G A 23 12.503 -3.236 3.157 1.00 0.00 P ATOM 475 OP1 G A 23 13.410 -3.508 4.302 1.00 0.00 O ATOM 476 OP2 G A 23 12.993 -2.428 2.011 1.00 0.00 O ATOM 477 O5' G A 23 11.973 -4.627 2.588 1.00 0.00 O ATOM 478 C5' G A 23 11.568 -5.673 3.468 1.00 0.00 C ATOM 479 C4' G A 23 11.268 -6.932 2.684 1.00 0.00 C ATOM 480 O4' G A 23 10.159 -6.672 1.786 1.00 0.00 O ATOM 481 C3' G A 23 12.388 -7.424 1.777 1.00 0.00 C ATOM 482 O3' G A 23 13.327 -8.244 2.477 1.00 0.00 O ATOM 483 C2' G A 23 11.634 -8.196 0.699 1.00 0.00 C ATOM 484 O2' G A 23 11.292 -9.498 1.138 1.00 0.00 O ATOM 485 C1' G A 23 10.350 -7.376 0.572 1.00 0.00 C ATOM 486 N9 G A 23 10.377 -6.410 -0.525 1.00 0.00 N ATOM 487 C8 G A 23 10.615 -5.060 -0.436 1.00 0.00 C ATOM 488 N7 G A 23 10.571 -4.451 -1.589 1.00 0.00 N ATOM 489 C5 G A 23 10.286 -5.461 -2.499 1.00 0.00 C ATOM 490 C6 G A 23 10.116 -5.408 -3.907 1.00 0.00 C ATOM 491 O6 G A 23 10.185 -4.425 -4.655 1.00 0.00 O ATOM 492 N1 G A 23 9.840 -6.664 -4.436 1.00 0.00 N ATOM 493 C2 G A 23 9.739 -7.823 -3.707 1.00 0.00 C ATOM 494 N2 G A 23 9.466 -8.936 -4.401 1.00 0.00 N ATOM 495 N3 G A 23 9.894 -7.887 -2.395 1.00 0.00 N ATOM 496 C4 G A 23 10.164 -6.677 -1.859 1.00 0.00 C ATOM 0 H5' G A 23 10.684 -5.365 4.027 1.00 0.00 H new ATOM 0 H5'' G A 23 12.354 -5.869 4.197 1.00 0.00 H new ATOM 0 H4' G A 23 11.082 -7.687 3.448 1.00 0.00 H new ATOM 0 H3' G A 23 12.999 -6.617 1.373 1.00 0.00 H new ATOM 0 H2' G A 23 12.211 -8.317 -0.218 1.00 0.00 H new ATOM 0 HO2' G A 23 11.939 -9.797 1.810 1.00 0.00 H new ATOM 0 HO3' G A 23 14.028 -8.540 1.859 1.00 0.00 H new ATOM 0 H1' G A 23 9.539 -8.073 0.359 1.00 0.00 H new ATOM 0 H8 G A 23 10.818 -4.553 0.496 1.00 0.00 H new ATOM 0 H1 G A 23 9.702 -6.729 -5.444 1.00 0.00 H new ATOM 0 H21 G A 23 9.378 -9.830 -3.918 1.00 0.00 H new ATOM 0 H22 G A 23 9.346 -8.889 -5.413 1.00 0.00 H new TER 508 G A 23