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= -1.1 USER MOD Single : A 8 C O5' : rot 110:sc= -0.829 USER MOD Single : A 9 C O2' : rot -19:sc= 0.118 USER MOD Single : A 10 G O2' : rot -70:sc= 1.02 USER MOD Single : A 11 U O2' : rot -137:sc= -0.953! USER MOD Single : A 12 U O2' : rot 149:sc= 1.22 USER MOD Single : A 13 G O2' : rot -16:sc= 0.164 USER MOD Single : A 14 A O2' : rot -17:sc= 0.0867 USER MOD Single : A 15 A O2' : rot 157:sc= 0.794 USER MOD Single : A 16 U O2' : rot 150:sc= -3.96! USER MOD Single : A 17 C O2' : rot -159:sc= -0.514 USER MOD Single : A 18 U O2' : rot 144:sc= 1.26 USER MOD Single : A 19 C O2' : rot -80:sc= 1.24 USER MOD Single : A 20 A O2' : rot -171:sc= 0.75 USER MOD Single : A 21 C O2' : rot -12:sc= 0.125 USER MOD Single : A 22 G O2' : rot 180:sc= -1.1 USER MOD Single : A 23 G O2' : rot -23:sc= 0.0886 USER MOD Single : A 23 G O3' : rot 180:sc= 0.121 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 2.143 -3.820 -11.167 1.00 0.00 O ATOM 2 C5' C A 8 2.432 -4.692 -12.258 1.00 0.00 C ATOM 3 C4' C A 8 3.459 -5.725 -11.847 1.00 0.00 C ATOM 4 O4' C A 8 4.737 -5.062 -11.662 1.00 0.00 O ATOM 5 C3' C A 8 3.194 -6.435 -10.524 1.00 0.00 C ATOM 6 O3' C A 8 2.359 -7.573 -10.707 1.00 0.00 O ATOM 7 C2' C A 8 4.593 -6.813 -10.055 1.00 0.00 C ATOM 8 O2' C A 8 5.056 -7.986 -10.700 1.00 0.00 O ATOM 9 C1' C A 8 5.417 -5.627 -10.555 1.00 0.00 C ATOM 10 N1 C A 8 5.620 -4.572 -9.542 1.00 0.00 N ATOM 11 C2 C A 8 6.735 -4.652 -8.691 1.00 0.00 C ATOM 12 O2 C A 8 7.523 -5.606 -8.808 1.00 0.00 O ATOM 13 N3 C A 8 6.925 -3.688 -7.761 1.00 0.00 N ATOM 14 C4 C A 8 6.058 -2.676 -7.661 1.00 0.00 C ATOM 15 N4 C A 8 6.287 -1.749 -6.728 1.00 0.00 N ATOM 16 C5 C A 8 4.920 -2.569 -8.513 1.00 0.00 C ATOM 17 C6 C A 8 4.742 -3.528 -9.430 1.00 0.00 C ATOM 0 H5' C A 8 2.805 -4.115 -13.104 1.00 0.00 H new ATOM 0 H5'' C A 8 1.519 -5.188 -12.588 1.00 0.00 H new ATOM 0 H4' C A 8 3.428 -6.467 -12.645 1.00 0.00 H new ATOM 0 H3' C A 8 2.661 -5.821 -9.798 1.00 0.00 H new ATOM 0 H2' C A 8 4.645 -7.006 -8.983 1.00 0.00 H new ATOM 0 HO2' C A 8 5.956 -8.202 -10.379 1.00 0.00 H new ATOM 0 HO5' C A 8 2.510 -2.931 -11.353 1.00 0.00 H new ATOM 0 H1' C A 8 6.406 -6.005 -10.815 1.00 0.00 H new ATOM 0 H41 C A 8 5.646 -0.962 -6.623 1.00 0.00 H new ATOM 0 H42 C A 8 7.103 -1.828 -6.120 1.00 0.00 H new ATOM 0 H5 C A 8 4.228 -1.745 -8.422 1.00 0.00 H new ATOM 0 H6 C A 8 3.891 -3.477 -10.093 1.00 0.00 H new ATOM 29 P C A 9 1.578 -8.200 -9.449 1.00 0.00 P ATOM 30 OP1 C A 9 0.694 -9.275 -9.971 1.00 0.00 O ATOM 31 OP2 C A 9 0.990 -7.091 -8.655 1.00 0.00 O ATOM 32 O5' C A 9 2.730 -8.878 -8.582 1.00 0.00 O ATOM 33 C5' C A 9 3.434 -10.021 -9.060 1.00 0.00 C ATOM 34 C4' C A 9 4.410 -10.512 -8.015 1.00 0.00 C ATOM 35 O4' C A 9 5.410 -9.485 -7.790 1.00 0.00 O ATOM 36 C3' C A 9 3.814 -10.781 -6.641 1.00 0.00 C ATOM 37 O3' C A 9 3.294 -12.105 -6.558 1.00 0.00 O ATOM 38 C2' C A 9 4.997 -10.564 -5.702 1.00 0.00 C ATOM 39 O2' C A 9 5.825 -11.710 -5.645 1.00 0.00 O ATOM 40 C1' C A 9 5.763 -9.449 -6.418 1.00 0.00 C ATOM 41 N1 C A 9 5.482 -8.094 -5.900 1.00 0.00 N ATOM 42 C2 C A 9 6.177 -7.635 -4.766 1.00 0.00 C ATOM 43 O2 C A 9 7.008 -8.382 -4.220 1.00 0.00 O ATOM 44 N3 C A 9 5.926 -6.393 -4.296 1.00 0.00 N ATOM 45 C4 C A 9 5.028 -5.617 -4.908 1.00 0.00 C ATOM 46 N4 C A 9 4.814 -4.397 -4.409 1.00 0.00 N ATOM 47 C5 C A 9 4.309 -6.054 -6.058 1.00 0.00 C ATOM 48 C6 C A 9 4.563 -7.287 -6.514 1.00 0.00 C ATOM 0 H5' C A 9 3.968 -9.770 -9.977 1.00 0.00 H new ATOM 0 H5'' C A 9 2.728 -10.813 -9.309 1.00 0.00 H new ATOM 0 H4' C A 9 4.792 -11.450 -8.417 1.00 0.00 H new ATOM 0 H3' C A 9 2.968 -10.137 -6.399 1.00 0.00 H new ATOM 0 H2' C A 9 4.692 -10.345 -4.679 1.00 0.00 H new ATOM 0 HO2' C A 9 5.324 -12.492 -5.958 1.00 0.00 H new ATOM 0 H1' C A 9 6.824 -9.633 -6.249 1.00 0.00 H new ATOM 0 H41 C A 9 4.135 -3.777 -4.851 1.00 0.00 H new ATOM 0 H42 C A 9 5.329 -4.085 -3.586 1.00 0.00 H new ATOM 0 H5 C A 9 3.586 -5.415 -6.543 1.00 0.00 H new ATOM 0 H6 C A 9 4.033 -7.651 -7.382 1.00 0.00 H new ATOM 60 P G A 10 2.247 -12.485 -5.397 1.00 0.00 P ATOM 61 OP1 G A 10 1.674 -13.818 -5.714 1.00 0.00 O ATOM 62 OP2 G A 10 1.336 -11.328 -5.196 1.00 0.00 O ATOM 63 O5' G A 10 3.152 -12.634 -4.095 1.00 0.00 O ATOM 64 C5' G A 10 2.624 -13.196 -2.895 1.00 0.00 C ATOM 65 C4' G A 10 3.059 -12.382 -1.699 1.00 0.00 C ATOM 66 O4' G A 10 3.685 -11.160 -2.153 1.00 0.00 O ATOM 67 C3' G A 10 1.934 -11.900 -0.795 1.00 0.00 C ATOM 68 O3' G A 10 1.575 -12.908 0.149 1.00 0.00 O ATOM 69 C2' G A 10 2.519 -10.653 -0.128 1.00 0.00 C ATOM 70 O2' G A 10 3.222 -10.990 1.052 1.00 0.00 O ATOM 71 C1' G A 10 3.535 -10.164 -1.164 1.00 0.00 C ATOM 72 N9 G A 10 3.147 -8.918 -1.819 1.00 0.00 N ATOM 73 C8 G A 10 2.683 -8.763 -3.104 1.00 0.00 C ATOM 74 N7 G A 10 2.421 -7.523 -3.411 1.00 0.00 N ATOM 75 C5 G A 10 2.729 -6.812 -2.260 1.00 0.00 C ATOM 76 C6 G A 10 2.650 -5.421 -1.989 1.00 0.00 C ATOM 77 O6 G A 10 2.278 -4.511 -2.739 1.00 0.00 O ATOM 78 N1 G A 10 3.060 -5.128 -0.692 1.00 0.00 N ATOM 79 C2 G A 10 3.490 -6.052 0.228 1.00 0.00 C ATOM 80 N2 G A 10 3.841 -5.572 1.431 1.00 0.00 N ATOM 81 N3 G A 10 3.572 -7.349 -0.011 1.00 0.00 N ATOM 82 C4 G A 10 3.178 -7.658 -1.267 1.00 0.00 C ATOM 0 H5' G A 10 2.966 -14.225 -2.787 1.00 0.00 H new ATOM 0 H5'' G A 10 1.536 -13.225 -2.947 1.00 0.00 H new ATOM 0 H4' G A 10 3.706 -13.060 -1.142 1.00 0.00 H new ATOM 0 H3' G A 10 1.010 -11.679 -1.329 1.00 0.00 H new ATOM 0 H2' G A 10 1.751 -9.929 0.146 1.00 0.00 H new ATOM 0 HO2' G A 10 2.587 -11.281 1.739 1.00 0.00 H new ATOM 0 H1' G A 10 4.465 -9.970 -0.630 1.00 0.00 H new ATOM 0 H8 G A 10 2.549 -9.586 -3.790 1.00 0.00 H new ATOM 0 H1 G A 10 3.039 -4.150 -0.402 1.00 0.00 H new ATOM 0 H21 G A 10 4.169 -6.208 2.158 1.00 0.00 H new ATOM 0 H22 G A 10 3.780 -4.571 1.618 1.00 0.00 H new ATOM 94 P U A 11 0.314 -12.683 1.124 1.00 0.00 P ATOM 95 OP1 U A 11 0.078 -13.948 1.867 1.00 0.00 O ATOM 96 OP2 U A 11 -0.785 -12.091 0.317 1.00 0.00 O ATOM 97 O5' U A 11 0.824 -11.587 2.163 1.00 0.00 O ATOM 98 C5' U A 11 -0.097 -10.808 2.919 1.00 0.00 C ATOM 99 C4' U A 11 0.626 -9.679 3.620 1.00 0.00 C ATOM 100 O4' U A 11 1.053 -8.711 2.619 1.00 0.00 O ATOM 101 C3' U A 11 -0.225 -8.902 4.624 1.00 0.00 C ATOM 102 O3' U A 11 0.479 -8.571 5.838 1.00 0.00 O ATOM 103 C2' U A 11 -0.685 -7.682 3.829 1.00 0.00 C ATOM 104 O2' U A 11 -0.864 -6.563 4.671 1.00 0.00 O ATOM 105 C1' U A 11 0.517 -7.438 2.921 1.00 0.00 C ATOM 106 N1 U A 11 0.194 -6.750 1.659 1.00 0.00 N ATOM 107 C2 U A 11 0.237 -5.360 1.641 1.00 0.00 C ATOM 108 O2 U A 11 0.547 -4.688 2.611 1.00 0.00 O ATOM 109 N3 U A 11 -0.092 -4.785 0.438 1.00 0.00 N ATOM 110 C4 U A 11 -0.450 -5.438 -0.723 1.00 0.00 C ATOM 111 O4 U A 11 -0.725 -4.780 -1.727 1.00 0.00 O ATOM 112 C5 U A 11 -0.462 -6.865 -0.624 1.00 0.00 C ATOM 113 C6 U A 11 -0.146 -7.460 0.530 1.00 0.00 C ATOM 0 H5' U A 11 -0.601 -11.438 3.652 1.00 0.00 H new ATOM 0 H5'' U A 11 -0.868 -10.404 2.262 1.00 0.00 H new ATOM 0 H4' U A 11 1.444 -10.150 4.165 1.00 0.00 H new ATOM 0 H3' U A 11 -1.063 -9.488 5.002 1.00 0.00 H new ATOM 0 H2' U A 11 -1.634 -7.833 3.314 1.00 0.00 H new ATOM 0 HO2' U A 11 -1.694 -6.101 4.429 1.00 0.00 H new ATOM 0 H1' U A 11 1.211 -6.782 3.446 1.00 0.00 H new ATOM 0 H3 U A 11 -0.069 -3.766 0.399 1.00 0.00 H new ATOM 0 H5 U A 11 -0.727 -7.463 -1.484 1.00 0.00 H new ATOM 0 H6 U A 11 -0.158 -8.539 0.579 1.00 0.00 H new ATOM 124 P U A 12 1.918 -7.829 5.801 1.00 0.00 P ATOM 125 OP1 U A 12 2.733 -8.330 4.666 1.00 0.00 O ATOM 126 OP2 U A 12 2.463 -7.924 7.182 1.00 0.00 O ATOM 127 O5' U A 12 1.568 -6.299 5.519 1.00 0.00 O ATOM 128 C5' U A 12 1.149 -5.429 6.571 1.00 0.00 C ATOM 129 C4' U A 12 1.289 -3.985 6.142 1.00 0.00 C ATOM 130 O4' U A 12 0.415 -3.749 5.001 1.00 0.00 O ATOM 131 C3' U A 12 0.884 -2.953 7.191 1.00 0.00 C ATOM 132 O3' U A 12 1.750 -1.822 7.154 1.00 0.00 O ATOM 133 C2' U A 12 -0.549 -2.601 6.805 1.00 0.00 C ATOM 134 O2' U A 12 -0.867 -1.274 7.178 1.00 0.00 O ATOM 135 C1' U A 12 -0.466 -2.679 5.281 1.00 0.00 C ATOM 136 N1 U A 12 -1.746 -2.929 4.592 1.00 0.00 N ATOM 137 C2 U A 12 -2.730 -1.942 4.647 1.00 0.00 C ATOM 138 O2 U A 12 -2.585 -0.884 5.237 1.00 0.00 O ATOM 139 N3 U A 12 -3.893 -2.245 3.982 1.00 0.00 N ATOM 140 C4 U A 12 -4.175 -3.398 3.282 1.00 0.00 C ATOM 141 O4 U A 12 -5.271 -3.522 2.736 1.00 0.00 O ATOM 142 C5 U A 12 -3.118 -4.360 3.271 1.00 0.00 C ATOM 143 C6 U A 12 -1.969 -4.104 3.905 1.00 0.00 C ATOM 0 H5' U A 12 1.748 -5.611 7.463 1.00 0.00 H new ATOM 0 H5'' U A 12 0.112 -5.639 6.835 1.00 0.00 H new ATOM 0 H4' U A 12 2.351 -3.856 5.934 1.00 0.00 H new ATOM 0 H3' U A 12 0.954 -3.322 8.214 1.00 0.00 H new ATOM 0 H2' U A 12 -1.298 -3.240 7.273 1.00 0.00 H new ATOM 0 HO2' U A 12 -1.520 -0.904 6.547 1.00 0.00 H new ATOM 0 H1' U A 12 -0.134 -1.708 4.913 1.00 0.00 H new ATOM 0 H3 U A 12 -4.629 -1.539 4.009 1.00 0.00 H new ATOM 0 H5 U A 12 -3.248 -5.297 2.749 1.00 0.00 H new ATOM 0 H6 U A 12 -1.185 -4.846 3.878 1.00 0.00 H new ATOM 154 P G A 13 2.072 -1.008 8.506 1.00 0.00 P ATOM 155 OP1 G A 13 3.426 -0.416 8.361 1.00 0.00 O ATOM 156 OP2 G A 13 1.778 -1.885 9.671 1.00 0.00 O ATOM 157 O5' G A 13 1.007 0.177 8.504 1.00 0.00 O ATOM 158 C5' G A 13 1.213 1.351 9.289 1.00 0.00 C ATOM 159 C4' G A 13 1.407 2.555 8.393 1.00 0.00 C ATOM 160 O4' G A 13 1.280 2.154 7.010 1.00 0.00 O ATOM 161 C3' G A 13 0.367 3.655 8.542 1.00 0.00 C ATOM 162 O3' G A 13 0.684 4.525 9.623 1.00 0.00 O ATOM 163 C2' G A 13 0.413 4.374 7.193 1.00 0.00 C ATOM 164 O2' G A 13 1.401 5.388 7.190 1.00 0.00 O ATOM 165 C1' G A 13 0.868 3.265 6.240 1.00 0.00 C ATOM 166 N9 G A 13 -0.176 2.823 5.321 1.00 0.00 N ATOM 167 C8 G A 13 -1.130 1.864 5.555 1.00 0.00 C ATOM 168 N7 G A 13 -1.927 1.671 4.540 1.00 0.00 N ATOM 169 C5 G A 13 -1.472 2.560 3.575 1.00 0.00 C ATOM 170 C6 G A 13 -1.943 2.805 2.258 1.00 0.00 C ATOM 171 O6 G A 13 -2.881 2.265 1.660 1.00 0.00 O ATOM 172 N1 G A 13 -1.196 3.792 1.623 1.00 0.00 N ATOM 173 C2 G A 13 -0.132 4.457 2.180 1.00 0.00 C ATOM 174 N2 G A 13 0.460 5.380 1.404 1.00 0.00 N ATOM 175 N3 G A 13 0.320 4.236 3.404 1.00 0.00 N ATOM 176 C4 G A 13 -0.393 3.281 4.041 1.00 0.00 C ATOM 0 H5' G A 13 2.086 1.221 9.928 1.00 0.00 H new ATOM 0 H5'' G A 13 0.358 1.512 9.946 1.00 0.00 H new ATOM 0 H4' G A 13 2.386 2.936 8.683 1.00 0.00 H new ATOM 0 H3' G A 13 -0.627 3.275 8.776 1.00 0.00 H new ATOM 0 H2' G A 13 -0.537 4.845 6.939 1.00 0.00 H new ATOM 0 HO2' G A 13 1.666 5.590 8.112 1.00 0.00 H new ATOM 0 H1' G A 13 1.678 3.675 5.636 1.00 0.00 H new ATOM 0 H8 G A 13 -1.213 1.323 6.486 1.00 0.00 H new ATOM 0 H1 G A 13 -1.459 4.041 0.670 1.00 0.00 H new ATOM 0 H21 G A 13 1.256 5.910 1.759 1.00 0.00 H new ATOM 0 H22 G A 13 0.113 5.551 0.460 1.00 0.00 H new ATOM 188 P A A 14 -0.473 5.412 10.297 1.00 0.00 P ATOM 189 OP1 A A 14 0.164 6.363 11.245 1.00 0.00 O ATOM 190 OP2 A A 14 -1.514 4.474 10.790 1.00 0.00 O ATOM 191 O5' A A 14 -1.080 6.248 9.083 1.00 0.00 O ATOM 192 C5' A A 14 -2.392 6.801 9.157 1.00 0.00 C ATOM 193 C4' A A 14 -2.698 7.590 7.906 1.00 0.00 C ATOM 194 O4' A A 14 -2.169 6.877 6.754 1.00 0.00 O ATOM 195 C3' A A 14 -4.179 7.766 7.600 1.00 0.00 C ATOM 196 O3' A A 14 -4.727 8.898 8.265 1.00 0.00 O ATOM 197 C2' A A 14 -4.195 7.935 6.085 1.00 0.00 C ATOM 198 O2' A A 14 -3.846 9.254 5.707 1.00 0.00 O ATOM 199 C1' A A 14 -3.068 6.993 5.664 1.00 0.00 C ATOM 200 N9 A A 14 -3.539 5.655 5.304 1.00 0.00 N ATOM 201 C8 A A 14 -3.482 4.508 6.060 1.00 0.00 C ATOM 202 N7 A A 14 -4.005 3.461 5.470 1.00 0.00 N ATOM 203 C5 A A 14 -4.425 3.946 4.240 1.00 0.00 C ATOM 204 C6 A A 14 -5.058 3.329 3.149 1.00 0.00 C ATOM 205 N6 A A 14 -5.394 2.038 3.122 1.00 0.00 N ATOM 206 N1 A A 14 -5.337 4.092 2.071 1.00 0.00 N ATOM 207 C2 A A 14 -5.003 5.387 2.097 1.00 0.00 C ATOM 208 N3 A A 14 -4.409 6.084 3.065 1.00 0.00 N ATOM 209 C4 A A 14 -4.143 5.295 4.122 1.00 0.00 C ATOM 0 H5' A A 14 -2.473 7.446 10.032 1.00 0.00 H new ATOM 0 H5'' A A 14 -3.124 6.003 9.280 1.00 0.00 H new ATOM 0 H4' A A 14 -2.254 8.569 8.086 1.00 0.00 H new ATOM 0 H3' A A 14 -4.789 6.930 7.944 1.00 0.00 H new ATOM 0 H2' A A 14 -5.171 7.735 5.642 1.00 0.00 H new ATOM 0 HO2' A A 14 -3.925 9.848 6.482 1.00 0.00 H new ATOM 0 H1' A A 14 -2.595 7.415 4.777 1.00 0.00 H new ATOM 0 H8 A A 14 -3.047 4.473 7.048 1.00 0.00 H new ATOM 0 H61 A A 14 -5.853 1.648 2.299 1.00 0.00 H new ATOM 0 H62 A A 14 -5.192 1.442 3.924 1.00 0.00 H new ATOM 0 H2 A A 14 -5.250 5.947 1.207 1.00 0.00 H new ATOM 221 P A A 15 -6.311 8.973 8.542 1.00 0.00 P ATOM 222 OP1 A A 15 -6.684 10.406 8.660 1.00 0.00 O ATOM 223 OP2 A A 15 -6.604 8.045 9.664 1.00 0.00 O ATOM 224 O5' A A 15 -6.970 8.371 7.220 1.00 0.00 O ATOM 225 C5' A A 15 -8.161 8.926 6.668 1.00 0.00 C ATOM 226 C4' A A 15 -7.969 9.202 5.194 1.00 0.00 C ATOM 227 O4' A A 15 -7.503 7.981 4.551 1.00 0.00 O ATOM 228 C3' A A 15 -9.231 9.614 4.439 1.00 0.00 C ATOM 229 O3' A A 15 -8.938 10.614 3.468 1.00 0.00 O ATOM 230 C2' A A 15 -9.712 8.309 3.810 1.00 0.00 C ATOM 231 O2' A A 15 -10.388 8.540 2.588 1.00 0.00 O ATOM 232 C1' A A 15 -8.383 7.625 3.505 1.00 0.00 C ATOM 233 N9 A A 15 -8.452 6.164 3.430 1.00 0.00 N ATOM 234 C8 A A 15 -7.828 5.247 4.243 1.00 0.00 C ATOM 235 N7 A A 15 -8.083 4.001 3.927 1.00 0.00 N ATOM 236 C5 A A 15 -8.930 4.102 2.830 1.00 0.00 C ATOM 237 C6 A A 15 -9.556 3.132 2.026 1.00 0.00 C ATOM 238 N6 A A 15 -9.422 1.818 2.213 1.00 0.00 N ATOM 239 N1 A A 15 -10.334 3.567 1.012 1.00 0.00 N ATOM 240 C2 A A 15 -10.469 4.886 0.825 1.00 0.00 C ATOM 241 N3 A A 15 -9.933 5.892 1.512 1.00 0.00 N ATOM 242 C4 A A 15 -9.164 5.427 2.513 1.00 0.00 C ATOM 0 H5' A A 15 -8.417 9.849 7.189 1.00 0.00 H new ATOM 0 H5'' A A 15 -8.993 8.237 6.812 1.00 0.00 H new ATOM 0 H4' A A 15 -7.267 10.035 5.151 1.00 0.00 H new ATOM 0 H3' A A 15 -9.993 10.063 5.076 1.00 0.00 H new ATOM 0 H2' A A 15 -10.403 7.754 4.445 1.00 0.00 H new ATOM 0 HO2' A A 15 -10.354 7.730 2.037 1.00 0.00 H new ATOM 0 H1' A A 15 -8.056 7.955 2.519 1.00 0.00 H new ATOM 0 H8 A A 15 -7.187 5.528 5.066 1.00 0.00 H new ATOM 0 H61 A A 15 -9.902 1.163 1.595 1.00 0.00 H new ATOM 0 H62 A A 15 -8.839 1.468 2.974 1.00 0.00 H new ATOM 0 H2 A A 15 -11.103 5.174 -0.001 1.00 0.00 H new ATOM 254 P U A 16 -10.111 11.565 2.910 1.00 0.00 P ATOM 255 OP1 U A 16 -9.537 12.932 2.810 1.00 0.00 O ATOM 256 OP2 U A 16 -11.349 11.348 3.707 1.00 0.00 O ATOM 257 O5' U A 16 -10.374 11.017 1.437 1.00 0.00 O ATOM 258 C5' U A 16 -10.715 11.899 0.368 1.00 0.00 C ATOM 259 C4' U A 16 -10.107 11.405 -0.928 1.00 0.00 C ATOM 260 O4' U A 16 -8.662 11.288 -0.754 1.00 0.00 O ATOM 261 C3' U A 16 -10.564 10.018 -1.385 1.00 0.00 C ATOM 262 O3' U A 16 -10.620 9.851 -2.809 1.00 0.00 O ATOM 263 C2' U A 16 -9.518 9.107 -0.767 1.00 0.00 C ATOM 264 O2' U A 16 -9.424 7.911 -1.501 1.00 0.00 O ATOM 265 C1' U A 16 -8.262 9.947 -0.968 1.00 0.00 C ATOM 266 N1 U A 16 -7.153 9.634 -0.054 1.00 0.00 N ATOM 267 C2 U A 16 -5.993 9.092 -0.595 1.00 0.00 C ATOM 268 O2 U A 16 -5.856 8.862 -1.788 1.00 0.00 O ATOM 269 N3 U A 16 -5.000 8.827 0.314 1.00 0.00 N ATOM 270 C4 U A 16 -5.042 9.041 1.675 1.00 0.00 C ATOM 271 O4 U A 16 -4.062 8.755 2.364 1.00 0.00 O ATOM 272 C5 U A 16 -6.269 9.599 2.151 1.00 0.00 C ATOM 273 C6 U A 16 -7.257 9.874 1.297 1.00 0.00 C ATOM 0 H5' U A 16 -10.356 12.905 0.587 1.00 0.00 H new ATOM 0 H5'' U A 16 -11.799 11.962 0.270 1.00 0.00 H new ATOM 0 H4' U A 16 -10.426 12.133 -1.674 1.00 0.00 H new ATOM 0 H3' U A 16 -11.589 9.813 -1.075 1.00 0.00 H new ATOM 0 H2' U A 16 -9.714 8.815 0.265 1.00 0.00 H new ATOM 0 HO2' U A 16 -8.511 7.560 -1.438 1.00 0.00 H new ATOM 0 H1' U A 16 -7.873 9.745 -1.966 1.00 0.00 H new ATOM 0 H3 U A 16 -4.138 8.429 -0.057 1.00 0.00 H new ATOM 0 H5 U A 16 -6.397 9.799 3.205 1.00 0.00 H new ATOM 0 H6 U A 16 -8.172 10.301 1.680 1.00 0.00 H new ATOM 284 P C A 17 -10.058 10.994 -3.800 1.00 0.00 P ATOM 285 OP1 C A 17 -8.668 11.357 -3.428 1.00 0.00 O ATOM 286 OP2 C A 17 -11.095 12.054 -3.881 1.00 0.00 O ATOM 287 O5' C A 17 -9.991 10.265 -5.214 1.00 0.00 O ATOM 288 C5' C A 17 -9.607 8.895 -5.312 1.00 0.00 C ATOM 289 C4' C A 17 -8.113 8.785 -5.517 1.00 0.00 C ATOM 290 O4' C A 17 -7.495 8.318 -4.279 1.00 0.00 O ATOM 291 C3' C A 17 -7.689 7.781 -6.586 1.00 0.00 C ATOM 292 O3' C A 17 -6.544 8.243 -7.301 1.00 0.00 O ATOM 293 C2' C A 17 -7.409 6.522 -5.775 1.00 0.00 C ATOM 294 O2' C A 17 -6.460 5.688 -6.406 1.00 0.00 O ATOM 295 C1' C A 17 -6.778 7.124 -4.527 1.00 0.00 C ATOM 296 N1 C A 17 -6.854 6.250 -3.342 1.00 0.00 N ATOM 297 C2 C A 17 -5.841 5.294 -3.133 1.00 0.00 C ATOM 298 O2 C A 17 -4.904 5.215 -3.947 1.00 0.00 O ATOM 299 N3 C A 17 -5.911 4.485 -2.054 1.00 0.00 N ATOM 300 C4 C A 17 -6.926 4.603 -1.196 1.00 0.00 C ATOM 301 N4 C A 17 -6.962 3.773 -0.152 1.00 0.00 N ATOM 302 C5 C A 17 -7.955 5.573 -1.370 1.00 0.00 C ATOM 303 C6 C A 17 -7.887 6.358 -2.455 1.00 0.00 C ATOM 0 H5' C A 17 -10.131 8.421 -6.142 1.00 0.00 H new ATOM 0 H5'' C A 17 -9.897 8.363 -4.406 1.00 0.00 H new ATOM 0 H4' C A 17 -7.797 9.781 -5.829 1.00 0.00 H new ATOM 0 H3' C A 17 -8.439 7.617 -7.360 1.00 0.00 H new ATOM 0 H2' C A 17 -8.293 5.904 -5.619 1.00 0.00 H new ATOM 0 HO2' C A 17 -6.549 4.774 -6.064 1.00 0.00 H new ATOM 0 H1' C A 17 -5.714 7.282 -4.701 1.00 0.00 H new ATOM 0 H41 C A 17 -7.724 3.836 0.523 1.00 0.00 H new ATOM 0 H42 C A 17 -6.228 3.076 -0.029 1.00 0.00 H new ATOM 0 H5 C A 17 -8.759 5.672 -0.656 1.00 0.00 H new ATOM 0 H6 C A 17 -8.663 7.089 -2.631 1.00 0.00 H new ATOM 315 P U A 18 -6.117 7.538 -8.685 1.00 0.00 P ATOM 316 OP1 U A 18 -5.694 8.623 -9.607 1.00 0.00 O ATOM 317 OP2 U A 18 -7.189 6.595 -9.107 1.00 0.00 O ATOM 318 O5' U A 18 -4.816 6.700 -8.296 1.00 0.00 O ATOM 319 C5' U A 18 -4.608 5.381 -8.794 1.00 0.00 C ATOM 320 C4' U A 18 -3.607 4.649 -7.928 1.00 0.00 C ATOM 321 O4' U A 18 -4.278 4.207 -6.713 1.00 0.00 O ATOM 322 C3' U A 18 -3.007 3.390 -8.553 1.00 0.00 C ATOM 323 O3' U A 18 -1.618 3.274 -8.248 1.00 0.00 O ATOM 324 C2' U A 18 -3.822 2.264 -7.926 1.00 0.00 C ATOM 325 O2' U A 18 -3.064 1.074 -7.820 1.00 0.00 O ATOM 326 C1' U A 18 -4.053 2.826 -6.526 1.00 0.00 C ATOM 327 N1 U A 18 -5.195 2.249 -5.791 1.00 0.00 N ATOM 328 C2 U A 18 -5.081 0.941 -5.323 1.00 0.00 C ATOM 329 O2 U A 18 -4.085 0.255 -5.491 1.00 0.00 O ATOM 330 N3 U A 18 -6.180 0.469 -4.650 1.00 0.00 N ATOM 331 C4 U A 18 -7.354 1.146 -4.395 1.00 0.00 C ATOM 332 O4 U A 18 -8.256 0.582 -3.773 1.00 0.00 O ATOM 333 C5 U A 18 -7.394 2.480 -4.904 1.00 0.00 C ATOM 334 C6 U A 18 -6.345 2.979 -5.566 1.00 0.00 C ATOM 0 H5' U A 18 -4.248 5.425 -9.822 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.552 4.837 -8.810 1.00 0.00 H new ATOM 0 H4' U A 18 -2.799 5.362 -7.765 1.00 0.00 H new ATOM 0 H3' U A 18 -3.056 3.386 -9.642 1.00 0.00 H new ATOM 0 H2' U A 18 -4.717 2.005 -8.492 1.00 0.00 H new ATOM 0 HO2' U A 18 -3.302 0.607 -6.992 1.00 0.00 H new ATOM 0 H1' U A 18 -3.185 2.583 -5.913 1.00 0.00 H new ATOM 0 H3 U A 18 -6.122 -0.487 -4.300 1.00 0.00 H new ATOM 0 H5 U A 18 -8.274 3.087 -4.754 1.00 0.00 H new ATOM 0 H6 U A 18 -6.399 3.991 -5.939 1.00 0.00 H new ATOM 345 P C A 19 -0.530 4.082 -9.119 1.00 0.00 P ATOM 346 OP1 C A 19 -1.240 5.050 -9.994 1.00 0.00 O ATOM 347 OP2 C A 19 0.396 3.090 -9.725 1.00 0.00 O ATOM 348 O5' C A 19 0.286 4.920 -8.035 1.00 0.00 O ATOM 349 C5' C A 19 0.888 4.282 -6.910 1.00 0.00 C ATOM 350 C4' C A 19 1.203 5.304 -5.843 1.00 0.00 C ATOM 351 O4' C A 19 -0.043 5.726 -5.228 1.00 0.00 O ATOM 352 C3' C A 19 2.067 4.805 -4.691 1.00 0.00 C ATOM 353 O3' C A 19 3.454 4.946 -5.017 1.00 0.00 O ATOM 354 C2' C A 19 1.623 5.685 -3.524 1.00 0.00 C ATOM 355 O2' C A 19 2.262 6.947 -3.556 1.00 0.00 O ATOM 356 C1' C A 19 0.139 5.894 -3.834 1.00 0.00 C ATOM 357 N1 C A 19 -0.766 4.961 -3.130 1.00 0.00 N ATOM 358 C2 C A 19 -1.136 5.237 -1.800 1.00 0.00 C ATOM 359 O2 C A 19 -0.681 6.250 -1.240 1.00 0.00 O ATOM 360 N3 C A 19 -1.976 4.391 -1.161 1.00 0.00 N ATOM 361 C4 C A 19 -2.442 3.310 -1.790 1.00 0.00 C ATOM 362 N4 C A 19 -3.270 2.507 -1.119 1.00 0.00 N ATOM 363 C5 C A 19 -2.080 3.001 -3.135 1.00 0.00 C ATOM 364 C6 C A 19 -1.247 3.845 -3.760 1.00 0.00 C ATOM 0 H5' C A 19 1.801 3.771 -7.217 1.00 0.00 H new ATOM 0 H5'' C A 19 0.217 3.522 -6.510 1.00 0.00 H new ATOM 0 H4' C A 19 1.752 6.089 -6.363 1.00 0.00 H new ATOM 0 H3' C A 19 1.950 3.746 -4.459 1.00 0.00 H new ATOM 0 H2' C A 19 1.846 5.241 -2.554 1.00 0.00 H new ATOM 0 HO2' C A 19 3.164 6.866 -3.182 1.00 0.00 H new ATOM 0 H1' C A 19 -0.120 6.895 -3.489 1.00 0.00 H new ATOM 0 H41 C A 19 -3.646 1.672 -1.568 1.00 0.00 H new ATOM 0 H42 C A 19 -3.527 2.728 -0.157 1.00 0.00 H new ATOM 0 H5 C A 19 -2.462 2.121 -3.631 1.00 0.00 H new ATOM 0 H6 C A 19 -0.950 3.641 -4.778 1.00 0.00 H new ATOM 376 P A A 20 4.587 4.678 -3.899 1.00 0.00 P ATOM 377 OP1 A A 20 4.584 5.817 -2.945 1.00 0.00 O ATOM 378 OP2 A A 20 5.836 4.333 -4.623 1.00 0.00 O ATOM 379 O5' A A 20 4.099 3.372 -3.123 1.00 0.00 O ATOM 380 C5' A A 20 4.658 3.022 -1.856 1.00 0.00 C ATOM 381 C4' A A 20 3.941 3.764 -0.750 1.00 0.00 C ATOM 382 O4' A A 20 2.510 3.602 -0.954 1.00 0.00 O ATOM 383 C3' A A 20 4.222 3.281 0.672 1.00 0.00 C ATOM 384 O3' A A 20 4.269 4.365 1.593 1.00 0.00 O ATOM 385 C2' A A 20 3.080 2.313 0.958 1.00 0.00 C ATOM 386 O2' A A 20 2.709 2.354 2.323 1.00 0.00 O ATOM 387 C1' A A 20 1.942 2.907 0.137 1.00 0.00 C ATOM 388 N9 A A 20 1.051 1.875 -0.400 1.00 0.00 N ATOM 389 C8 A A 20 0.341 1.914 -1.569 1.00 0.00 C ATOM 390 N7 A A 20 -0.374 0.837 -1.794 1.00 0.00 N ATOM 391 C5 A A 20 -0.107 0.028 -0.698 1.00 0.00 C ATOM 392 C6 A A 20 -0.547 -1.259 -0.337 1.00 0.00 C ATOM 393 N6 A A 20 -1.397 -1.984 -1.068 1.00 0.00 N ATOM 394 N1 A A 20 -0.076 -1.780 0.819 1.00 0.00 N ATOM 395 C2 A A 20 0.775 -1.047 1.551 1.00 0.00 C ATOM 396 N3 A A 20 1.242 0.167 1.325 1.00 0.00 N ATOM 397 C4 A A 20 0.763 0.656 0.170 1.00 0.00 C ATOM 0 H5' A A 20 5.720 3.265 -1.839 1.00 0.00 H new ATOM 0 H5'' A A 20 4.574 1.947 -1.697 1.00 0.00 H new ATOM 0 H4' A A 20 4.305 4.789 -0.816 1.00 0.00 H new ATOM 0 H3' A A 20 5.196 2.802 0.776 1.00 0.00 H new ATOM 0 H2' A A 20 3.335 1.279 0.724 1.00 0.00 H new ATOM 0 HO2' A A 20 2.072 1.634 2.511 1.00 0.00 H new ATOM 0 H1' A A 20 1.357 3.558 0.786 1.00 0.00 H new ATOM 0 H8 A A 20 0.367 2.755 -2.246 1.00 0.00 H new ATOM 0 H61 A A 20 -1.678 -2.912 -0.752 1.00 0.00 H new ATOM 0 H62 A A 20 -1.765 -1.610 -1.943 1.00 0.00 H new ATOM 0 H2 A A 20 1.130 -1.517 2.456 1.00 0.00 H new ATOM 409 P C A 21 5.689 4.890 2.137 1.00 0.00 P ATOM 410 OP1 C A 21 5.419 6.110 2.940 1.00 0.00 O ATOM 411 OP2 C A 21 6.641 4.960 0.997 1.00 0.00 O ATOM 412 O5' C A 21 6.169 3.748 3.143 1.00 0.00 O ATOM 413 C5' C A 21 6.893 2.607 2.682 1.00 0.00 C ATOM 414 C4' C A 21 6.334 1.351 3.311 1.00 0.00 C ATOM 415 O4' C A 21 5.087 1.026 2.655 1.00 0.00 O ATOM 416 C3' C A 21 7.184 0.097 3.161 1.00 0.00 C ATOM 417 O3' C A 21 8.163 0.035 4.200 1.00 0.00 O ATOM 418 C2' C A 21 6.151 -1.029 3.244 1.00 0.00 C ATOM 419 O2' C A 21 5.876 -1.368 4.590 1.00 0.00 O ATOM 420 C1' C A 21 4.902 -0.375 2.649 1.00 0.00 C ATOM 421 N1 C A 21 4.593 -0.801 1.268 1.00 0.00 N ATOM 422 C2 C A 21 3.854 -1.981 1.070 1.00 0.00 C ATOM 423 O2 C A 21 3.495 -2.647 2.056 1.00 0.00 O ATOM 424 N3 C A 21 3.552 -2.365 -0.192 1.00 0.00 N ATOM 425 C4 C A 21 3.956 -1.631 -1.228 1.00 0.00 C ATOM 426 N4 C A 21 3.632 -2.049 -2.454 1.00 0.00 N ATOM 427 C5 C A 21 4.710 -0.433 -1.059 1.00 0.00 C ATOM 428 C6 C A 21 5.008 -0.062 0.192 1.00 0.00 C ATOM 0 H5' C A 21 7.949 2.710 2.933 1.00 0.00 H new ATOM 0 H5'' C A 21 6.828 2.539 1.596 1.00 0.00 H new ATOM 0 H4' C A 21 6.262 1.590 4.372 1.00 0.00 H new ATOM 0 H3' C A 21 7.760 0.050 2.237 1.00 0.00 H new ATOM 0 H2' C A 21 6.482 -1.939 2.743 1.00 0.00 H new ATOM 0 HO2' C A 21 6.537 -0.943 5.176 1.00 0.00 H new ATOM 0 H1' C A 21 4.060 -0.689 3.266 1.00 0.00 H new ATOM 0 H41 C A 21 3.925 -1.512 -3.270 1.00 0.00 H new ATOM 0 H42 C A 21 3.092 -2.906 -2.574 1.00 0.00 H new ATOM 0 H5 C A 21 5.029 0.153 -1.908 1.00 0.00 H new ATOM 0 H6 C A 21 5.586 0.836 0.356 1.00 0.00 H new ATOM 440 P G A 22 9.164 -1.227 4.309 1.00 0.00 P ATOM 441 OP1 G A 22 8.491 -2.454 3.810 1.00 0.00 O ATOM 442 OP2 G A 22 9.701 -1.204 5.695 1.00 0.00 O ATOM 443 O5' G A 22 10.356 -0.876 3.309 1.00 0.00 O ATOM 444 C5' G A 22 11.694 -1.289 3.593 1.00 0.00 C ATOM 445 C4' G A 22 11.973 -2.640 2.965 1.00 0.00 C ATOM 446 O4' G A 22 10.733 -3.397 2.913 1.00 0.00 O ATOM 447 C3' G A 22 12.470 -2.628 1.525 1.00 0.00 C ATOM 448 O3' G A 22 13.883 -2.462 1.459 1.00 0.00 O ATOM 449 C2' G A 22 12.028 -3.993 1.013 1.00 0.00 C ATOM 450 O2' G A 22 12.899 -5.020 1.450 1.00 0.00 O ATOM 451 C1' G A 22 10.686 -4.161 1.721 1.00 0.00 C ATOM 452 N9 G A 22 9.543 -3.711 0.930 1.00 0.00 N ATOM 453 C8 G A 22 8.945 -2.474 0.969 1.00 0.00 C ATOM 454 N7 G A 22 7.940 -2.360 0.146 1.00 0.00 N ATOM 455 C5 G A 22 7.866 -3.598 -0.478 1.00 0.00 C ATOM 456 C6 G A 22 6.970 -4.073 -1.472 1.00 0.00 C ATOM 457 O6 G A 22 6.034 -3.475 -2.016 1.00 0.00 O ATOM 458 N1 G A 22 7.249 -5.391 -1.824 1.00 0.00 N ATOM 459 C2 G A 22 8.259 -6.152 -1.292 1.00 0.00 C ATOM 460 N2 G A 22 8.369 -7.403 -1.763 1.00 0.00 N ATOM 461 N3 G A 22 9.101 -5.723 -0.366 1.00 0.00 N ATOM 462 C4 G A 22 8.849 -4.445 -0.007 1.00 0.00 C ATOM 0 H5' G A 22 11.844 -1.344 4.671 1.00 0.00 H new ATOM 0 H5'' G A 22 12.399 -0.550 3.211 1.00 0.00 H new ATOM 0 H4' G A 22 12.760 -3.059 3.592 1.00 0.00 H new ATOM 0 H3' G A 22 12.076 -1.801 0.934 1.00 0.00 H new ATOM 0 H2' G A 22 12.002 -4.052 -0.075 1.00 0.00 H new ATOM 0 HO2' G A 22 12.587 -5.883 1.105 1.00 0.00 H new ATOM 0 H1' G A 22 10.541 -5.226 1.903 1.00 0.00 H new ATOM 0 H8 G A 22 9.275 -1.676 1.617 1.00 0.00 H new ATOM 0 H1 G A 22 6.657 -5.824 -2.532 1.00 0.00 H new ATOM 0 H21 G A 22 9.100 -8.019 -1.408 1.00 0.00 H new ATOM 0 H22 G A 22 7.722 -7.738 -2.477 1.00 0.00 H new ATOM 474 P G A 23 14.575 -2.042 0.069 1.00 0.00 P ATOM 475 OP1 G A 23 16.032 -1.871 0.311 1.00 0.00 O ATOM 476 OP2 G A 23 13.792 -0.917 -0.505 1.00 0.00 O ATOM 477 O5' G A 23 14.364 -3.314 -0.869 1.00 0.00 O ATOM 478 C5' G A 23 15.083 -4.524 -0.642 1.00 0.00 C ATOM 479 C4' G A 23 14.790 -5.523 -1.739 1.00 0.00 C ATOM 480 O4' G A 23 13.369 -5.826 -1.728 1.00 0.00 O ATOM 481 C3' G A 23 15.067 -5.041 -3.156 1.00 0.00 C ATOM 482 O3' G A 23 16.430 -5.238 -3.540 1.00 0.00 O ATOM 483 C2' G A 23 14.106 -5.881 -3.990 1.00 0.00 C ATOM 484 O2' G A 23 14.610 -7.186 -4.200 1.00 0.00 O ATOM 485 C1' G A 23 12.897 -5.971 -3.056 1.00 0.00 C ATOM 486 N9 G A 23 11.891 -4.940 -3.302 1.00 0.00 N ATOM 487 C8 G A 23 11.736 -3.756 -2.622 1.00 0.00 C ATOM 488 N7 G A 23 10.747 -3.031 -3.065 1.00 0.00 N ATOM 489 C5 G A 23 10.212 -3.780 -4.104 1.00 0.00 C ATOM 490 C6 G A 23 9.117 -3.507 -4.964 1.00 0.00 C ATOM 491 O6 G A 23 8.378 -2.515 -4.980 1.00 0.00 O ATOM 492 N1 G A 23 8.915 -4.535 -5.878 1.00 0.00 N ATOM 493 C2 G A 23 9.668 -5.681 -5.957 1.00 0.00 C ATOM 494 N2 G A 23 9.312 -6.554 -6.909 1.00 0.00 N ATOM 495 N3 G A 23 10.691 -5.949 -5.162 1.00 0.00 N ATOM 496 C4 G A 23 10.906 -4.963 -4.265 1.00 0.00 C ATOM 0 H5' G A 23 14.806 -4.944 0.325 1.00 0.00 H new ATOM 0 H5'' G A 23 16.153 -4.318 -0.605 1.00 0.00 H new ATOM 0 H4' G A 23 15.449 -6.364 -1.522 1.00 0.00 H new ATOM 0 H3' G A 23 14.917 -3.968 -3.279 1.00 0.00 H new ATOM 0 H2' G A 23 13.914 -5.460 -4.977 1.00 0.00 H new ATOM 0 HO2' G A 23 15.585 -7.180 -4.102 1.00 0.00 H new ATOM 0 HO3' G A 23 16.562 -4.916 -4.456 1.00 0.00 H new ATOM 0 H1' G A 23 12.415 -6.933 -3.232 1.00 0.00 H new ATOM 0 H8 G A 23 12.371 -3.456 -1.802 1.00 0.00 H new ATOM 0 H1 G A 23 8.148 -4.430 -6.542 1.00 0.00 H new ATOM 0 H21 G A 23 9.830 -7.425 -7.021 1.00 0.00 H new ATOM 0 H22 G A 23 8.523 -6.347 -7.521 1.00 0.00 H new TER 508 G A 23