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 -11:sc= 0.391 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -17:sc= 0.138 USER MOD Single : A 3 G O2' : rot -17:sc= 0.292 USER MOD Single : A 4 U O2' : rot -34:sc= 0.279 USER MOD Single : A 5 C O2' : rot -19:sc= 0.294 USER MOD Single : A 6 U O2' : rot -18:sc= -0.444 USER MOD Single : A 7 U O2' : rot -139:sc= -2.11! USER MOD Single : A 8 C O2' : rot 23:sc= 0.201 USER MOD Single : A 9 G O2' : rot -23:sc= 0.297 USER MOD Single : A 10 G O2' : rot -18:sc= 0.296 USER MOD Single : A 11 G O2' : rot -34:sc= 0.296 USER MOD Single : A 12 U O2' : rot -26:sc= 0.296 USER MOD Single : A 13 C O2' : rot -16:sc= 0.277 USER MOD Single : A 14 C O2' : rot -18:sc= 0.117 USER MOD Single : A 14 C O3' : rot 180:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 8.360 -2.530 5.050 1.00 0.00 O ATOM 2 C5' G A 1 9.631 -2.898 4.501 1.00 0.00 C ATOM 3 C4' G A 1 9.484 -3.893 3.354 1.00 0.00 C ATOM 4 O4' G A 1 8.797 -5.051 3.814 1.00 0.00 O ATOM 5 C3' G A 1 8.640 -3.406 2.193 1.00 0.00 C ATOM 6 O3' G A 1 9.521 -2.756 1.266 1.00 0.00 O ATOM 7 C2' G A 1 8.163 -4.701 1.548 1.00 0.00 C ATOM 8 O2' G A 1 9.148 -5.209 0.641 1.00 0.00 O ATOM 9 C1' G A 1 8.013 -5.628 2.757 1.00 0.00 C ATOM 10 N9 G A 1 6.630 -5.669 3.239 1.00 0.00 N ATOM 11 C8 G A 1 6.141 -5.110 4.378 1.00 0.00 C ATOM 12 N7 G A 1 4.862 -5.293 4.551 1.00 0.00 N ATOM 13 C5 G A 1 4.480 -6.031 3.432 1.00 0.00 C ATOM 14 C6 G A 1 3.203 -6.532 3.055 1.00 0.00 C ATOM 15 O6 G A 1 2.132 -6.428 3.648 1.00 0.00 O ATOM 16 N1 G A 1 3.261 -7.219 1.856 1.00 0.00 N ATOM 17 C2 G A 1 4.396 -7.404 1.107 1.00 0.00 C ATOM 18 N2 G A 1 4.267 -8.078 -0.026 1.00 0.00 N ATOM 19 N3 G A 1 5.598 -6.944 1.446 1.00 0.00 N ATOM 20 C4 G A 1 5.563 -6.268 2.618 1.00 0.00 C ATOM 0 H5' G A 1 10.253 -3.334 5.283 1.00 0.00 H new ATOM 0 H5'' G A 1 10.146 -2.006 4.145 1.00 0.00 H new ATOM 0 H4' G A 1 10.507 -4.066 3.019 1.00 0.00 H new ATOM 0 H3' G A 1 7.833 -2.731 2.478 1.00 0.00 H new ATOM 0 H2' G A 1 7.251 -4.590 0.962 1.00 0.00 H new ATOM 0 HO2' G A 1 9.836 -4.527 0.490 1.00 0.00 H new ATOM 0 HO5' G A 1 8.492 -1.893 5.783 1.00 0.00 H new ATOM 0 H1' G A 1 8.322 -6.634 2.475 1.00 0.00 H new ATOM 0 H8 G A 1 6.757 -4.563 5.077 1.00 0.00 H new ATOM 0 H1 G A 1 2.393 -7.619 1.501 1.00 0.00 H new ATOM 0 H21 G A 1 5.082 -8.242 -0.618 1.00 0.00 H new ATOM 0 H22 G A 1 3.353 -8.433 -0.307 1.00 0.00 H new ATOM 33 P G A 2 9.063 -1.414 0.495 1.00 0.00 P ATOM 34 OP1 G A 2 10.278 -0.724 0.008 1.00 0.00 O ATOM 35 OP2 G A 2 8.103 -0.691 1.358 1.00 0.00 O ATOM 36 O5' G A 2 8.260 -1.990 -0.780 1.00 0.00 O ATOM 37 C5' G A 2 8.944 -2.285 -2.006 1.00 0.00 C ATOM 38 C4' G A 2 8.089 -3.125 -2.951 1.00 0.00 C ATOM 39 O4' G A 2 7.626 -4.292 -2.258 1.00 0.00 O ATOM 40 C3' G A 2 6.806 -2.465 -3.431 1.00 0.00 C ATOM 41 O3' G A 2 7.101 -1.741 -4.633 1.00 0.00 O ATOM 42 C2' G A 2 5.966 -3.668 -3.816 1.00 0.00 C ATOM 43 O2' G A 2 6.417 -4.229 -5.054 1.00 0.00 O ATOM 44 C1' G A 2 6.278 -4.606 -2.655 1.00 0.00 C ATOM 45 N9 G A 2 5.404 -4.351 -1.502 1.00 0.00 N ATOM 46 C8 G A 2 5.678 -3.605 -0.392 1.00 0.00 C ATOM 47 N7 G A 2 4.695 -3.548 0.461 1.00 0.00 N ATOM 48 C5 G A 2 3.696 -4.313 -0.135 1.00 0.00 C ATOM 49 C6 G A 2 2.386 -4.621 0.320 1.00 0.00 C ATOM 50 O6 G A 2 1.839 -4.278 1.362 1.00 0.00 O ATOM 51 N1 G A 2 1.708 -5.417 -0.583 1.00 0.00 N ATOM 52 C2 G A 2 2.218 -5.867 -1.774 1.00 0.00 C ATOM 53 N2 G A 2 1.420 -6.608 -2.528 1.00 0.00 N ATOM 54 N3 G A 2 3.442 -5.593 -2.212 1.00 0.00 N ATOM 55 C4 G A 2 4.123 -4.811 -1.341 1.00 0.00 C ATOM 0 H5' G A 2 9.870 -2.817 -1.786 1.00 0.00 H new ATOM 0 H5'' G A 2 9.221 -1.353 -2.500 1.00 0.00 H new ATOM 0 H4' G A 2 8.745 -3.310 -3.802 1.00 0.00 H new ATOM 0 H3' G A 2 6.344 -1.793 -2.708 1.00 0.00 H new ATOM 0 H2' G A 2 4.907 -3.457 -3.965 1.00 0.00 H new ATOM 0 HO2' G A 2 6.978 -3.577 -5.523 1.00 0.00 H new ATOM 0 H1' G A 2 6.137 -5.642 -2.963 1.00 0.00 H new ATOM 0 H8 G A 2 6.624 -3.107 -0.235 1.00 0.00 H new ATOM 0 H1 G A 2 0.755 -5.691 -0.346 1.00 0.00 H new ATOM 0 H21 G A 2 1.752 -6.967 -3.423 1.00 0.00 H new ATOM 0 H22 G A 2 0.473 -6.820 -2.214 1.00 0.00 H new ATOM 67 P G A 3 6.123 -0.563 -5.140 1.00 0.00 P ATOM 68 OP1 G A 3 6.647 -0.049 -6.424 1.00 0.00 O ATOM 69 OP2 G A 3 5.894 0.368 -4.012 1.00 0.00 O ATOM 70 O5' G A 3 4.741 -1.345 -5.434 1.00 0.00 O ATOM 71 C5' G A 3 4.546 -2.051 -6.667 1.00 0.00 C ATOM 72 C4' G A 3 3.153 -2.671 -6.759 1.00 0.00 C ATOM 73 O4' G A 3 2.954 -3.587 -5.678 1.00 0.00 O ATOM 74 C3' G A 3 1.999 -1.704 -6.599 1.00 0.00 C ATOM 75 O3' G A 3 1.725 -1.124 -7.881 1.00 0.00 O ATOM 76 C2' G A 3 0.857 -2.650 -6.268 1.00 0.00 C ATOM 77 O2' G A 3 0.395 -3.316 -7.448 1.00 0.00 O ATOM 78 C1' G A 3 1.555 -3.637 -5.326 1.00 0.00 C ATOM 79 N9 G A 3 1.397 -3.262 -3.909 1.00 0.00 N ATOM 80 C8 G A 3 2.302 -2.656 -3.075 1.00 0.00 C ATOM 81 N7 G A 3 1.847 -2.452 -1.870 1.00 0.00 N ATOM 82 C5 G A 3 0.552 -2.957 -1.910 1.00 0.00 C ATOM 83 C6 G A 3 -0.438 -3.014 -0.892 1.00 0.00 C ATOM 84 O6 G A 3 -0.361 -2.626 0.269 1.00 0.00 O ATOM 85 N1 G A 3 -1.603 -3.599 -1.348 1.00 0.00 N ATOM 86 C2 G A 3 -1.801 -4.074 -2.619 1.00 0.00 C ATOM 87 N2 G A 3 -2.984 -4.611 -2.885 1.00 0.00 N ATOM 88 N3 G A 3 -0.884 -4.029 -3.582 1.00 0.00 N ATOM 89 C4 G A 3 0.268 -3.456 -3.156 1.00 0.00 C ATOM 0 H5' G A 3 5.298 -2.835 -6.759 1.00 0.00 H new ATOM 0 H5'' G A 3 4.694 -1.368 -7.503 1.00 0.00 H new ATOM 0 H4' G A 3 3.141 -3.109 -7.757 1.00 0.00 H new ATOM 0 H3' G A 3 2.167 -0.909 -5.873 1.00 0.00 H new ATOM 0 H2' G A 3 -0.022 -2.166 -5.843 1.00 0.00 H new ATOM 0 HO2' G A 3 0.712 -2.835 -8.241 1.00 0.00 H new ATOM 0 H1' G A 3 1.122 -4.631 -5.435 1.00 0.00 H new ATOM 0 H8 G A 3 3.297 -2.375 -3.387 1.00 0.00 H new ATOM 0 H1 G A 3 -2.376 -3.684 -0.688 1.00 0.00 H new ATOM 0 H21 G A 3 -3.180 -4.978 -3.816 1.00 0.00 H new ATOM 0 H22 G A 3 -3.698 -4.657 -2.158 1.00 0.00 H new ATOM 101 P U A 4 1.220 0.402 -7.994 1.00 0.00 P ATOM 102 OP1 U A 4 0.782 0.642 -9.387 1.00 0.00 O ATOM 103 OP2 U A 4 2.247 1.274 -7.382 1.00 0.00 O ATOM 104 O5' U A 4 -0.081 0.414 -7.040 1.00 0.00 O ATOM 105 C5' U A 4 -1.337 -0.097 -7.506 1.00 0.00 C ATOM 106 C4' U A 4 -2.377 -0.144 -6.390 1.00 0.00 C ATOM 107 O4' U A 4 -1.932 -1.024 -5.350 1.00 0.00 O ATOM 108 C3' U A 4 -2.602 1.167 -5.664 1.00 0.00 C ATOM 109 O3' U A 4 -3.598 1.899 -6.391 1.00 0.00 O ATOM 110 C2' U A 4 -3.227 0.696 -4.364 1.00 0.00 C ATOM 111 O2' U A 4 -4.597 0.332 -4.561 1.00 0.00 O ATOM 112 C1' U A 4 -2.375 -0.541 -4.066 1.00 0.00 C ATOM 113 N1 U A 4 -1.190 -0.222 -3.241 1.00 0.00 N ATOM 114 C2 U A 4 -1.367 -0.140 -1.872 1.00 0.00 C ATOM 115 O2 U A 4 -2.457 -0.310 -1.333 1.00 0.00 O ATOM 116 N3 U A 4 -0.244 0.159 -1.135 1.00 0.00 N ATOM 117 C4 U A 4 1.021 0.384 -1.634 1.00 0.00 C ATOM 118 O4 U A 4 1.940 0.656 -0.872 1.00 0.00 O ATOM 119 C5 U A 4 1.130 0.283 -3.071 1.00 0.00 C ATOM 120 C6 U A 4 0.038 -0.012 -3.816 1.00 0.00 C ATOM 0 H5' U A 4 -1.194 -1.098 -7.913 1.00 0.00 H new ATOM 0 H5'' U A 4 -1.705 0.528 -8.320 1.00 0.00 H new ATOM 0 H4' U A 4 -3.290 -0.449 -6.902 1.00 0.00 H new ATOM 0 H3' U A 4 -1.712 1.785 -5.544 1.00 0.00 H new ATOM 0 H2' U A 4 -3.238 1.442 -3.570 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.996 0.916 -5.239 1.00 0.00 H new ATOM 0 H1' U A 4 -2.960 -1.271 -3.507 1.00 0.00 H new ATOM 0 H3 U A 4 -0.359 0.220 -0.123 1.00 0.00 H new ATOM 0 H5 U A 4 2.084 0.443 -3.552 1.00 0.00 H new ATOM 0 H6 U A 4 0.136 -0.084 -4.889 1.00 0.00 H new ATOM 131 P C A 5 -3.337 3.431 -6.823 1.00 0.00 P ATOM 132 OP1 C A 5 -4.198 3.737 -7.987 1.00 0.00 O ATOM 133 OP2 C A 5 -1.875 3.645 -6.911 1.00 0.00 O ATOM 134 O5' C A 5 -3.888 4.255 -5.550 1.00 0.00 O ATOM 135 C5' C A 5 -5.264 4.651 -5.470 1.00 0.00 C ATOM 136 C4' C A 5 -5.633 5.145 -4.072 1.00 0.00 C ATOM 137 O4' C A 5 -5.383 4.106 -3.117 1.00 0.00 O ATOM 138 C3' C A 5 -4.803 6.304 -3.558 1.00 0.00 C ATOM 139 O3' C A 5 -5.433 7.519 -3.988 1.00 0.00 O ATOM 140 C2' C A 5 -5.006 6.190 -2.057 1.00 0.00 C ATOM 141 O2' C A 5 -6.298 6.678 -1.682 1.00 0.00 O ATOM 142 C1' C A 5 -4.930 4.672 -1.871 1.00 0.00 C ATOM 143 N1 C A 5 -3.551 4.206 -1.607 1.00 0.00 N ATOM 144 C2 C A 5 -3.099 4.237 -0.297 1.00 0.00 C ATOM 145 O2 C A 5 -3.829 4.641 0.605 1.00 0.00 O ATOM 146 N3 C A 5 -1.834 3.822 -0.030 1.00 0.00 N ATOM 147 C4 C A 5 -1.038 3.389 -1.011 1.00 0.00 C ATOM 148 N4 C A 5 0.196 3.018 -0.682 1.00 0.00 N ATOM 149 C5 C A 5 -1.489 3.351 -2.367 1.00 0.00 C ATOM 150 C6 C A 5 -2.746 3.765 -2.619 1.00 0.00 C ATOM 0 H5' C A 5 -5.901 3.808 -5.737 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.458 5.440 -6.197 1.00 0.00 H new ATOM 0 H4' C A 5 -6.674 5.451 -4.170 1.00 0.00 H new ATOM 0 H3' C A 5 -3.762 6.297 -3.882 1.00 0.00 H new ATOM 0 H2' C A 5 -4.294 6.759 -1.459 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.649 7.254 -2.393 1.00 0.00 H new ATOM 0 H1' C A 5 -5.533 4.371 -1.014 1.00 0.00 H new ATOM 0 H41 C A 5 0.836 2.681 -1.401 1.00 0.00 H new ATOM 0 H42 C A 5 0.502 3.070 0.290 1.00 0.00 H new ATOM 0 H5 C A 5 -0.845 3.003 -3.161 1.00 0.00 H new ATOM 0 H6 C A 5 -3.121 3.748 -3.632 1.00 0.00 H new ATOM 162 P U A 6 -4.562 8.851 -4.245 1.00 0.00 P ATOM 163 OP1 U A 6 -5.486 9.949 -4.607 1.00 0.00 O ATOM 164 OP2 U A 6 -3.440 8.503 -5.147 1.00 0.00 O ATOM 165 O5' U A 6 -3.949 9.162 -2.785 1.00 0.00 O ATOM 166 C5' U A 6 -4.749 9.777 -1.765 1.00 0.00 C ATOM 167 C4' U A 6 -4.057 9.743 -0.405 1.00 0.00 C ATOM 168 O4' U A 6 -3.771 8.381 -0.053 1.00 0.00 O ATOM 169 C3' U A 6 -2.701 10.418 -0.357 1.00 0.00 C ATOM 170 O3' U A 6 -2.919 11.795 -0.020 1.00 0.00 O ATOM 171 C2' U A 6 -2.050 9.741 0.838 1.00 0.00 C ATOM 172 O2' U A 6 -2.561 10.269 2.067 1.00 0.00 O ATOM 173 C1' U A 6 -2.509 8.295 0.636 1.00 0.00 C ATOM 174 N1 U A 6 -1.570 7.517 -0.200 1.00 0.00 N ATOM 175 C2 U A 6 -0.638 6.726 0.446 1.00 0.00 C ATOM 176 O2 U A 6 -0.579 6.633 1.670 1.00 0.00 O ATOM 177 N3 U A 6 0.226 6.026 -0.367 1.00 0.00 N ATOM 178 C4 U A 6 0.242 6.044 -1.745 1.00 0.00 C ATOM 179 O4 U A 6 1.058 5.363 -2.356 1.00 0.00 O ATOM 180 C5 U A 6 -0.759 6.889 -2.350 1.00 0.00 C ATOM 181 C6 U A 6 -1.619 7.588 -1.570 1.00 0.00 C ATOM 0 H5' U A 6 -5.709 9.265 -1.697 1.00 0.00 H new ATOM 0 H5'' U A 6 -4.958 10.811 -2.041 1.00 0.00 H new ATOM 0 H4' U A 6 -4.749 10.262 0.258 1.00 0.00 H new ATOM 0 H3' U A 6 -2.124 10.353 -1.280 1.00 0.00 H new ATOM 0 H2' U A 6 -0.969 9.871 0.898 1.00 0.00 H new ATOM 0 HO2' U A 6 -2.999 11.129 1.897 1.00 0.00 H new ATOM 0 H1' U A 6 -2.571 7.789 1.600 1.00 0.00 H new ATOM 0 H3 U A 6 0.920 5.438 0.095 1.00 0.00 H new ATOM 0 H5 U A 6 -0.823 6.964 -3.425 1.00 0.00 H new ATOM 0 H6 U A 6 -2.362 8.217 -2.038 1.00 0.00 H new ATOM 192 P U A 7 -1.784 12.904 -0.298 1.00 0.00 P ATOM 193 OP1 U A 7 -2.450 14.212 -0.483 1.00 0.00 O ATOM 194 OP2 U A 7 -0.869 12.384 -1.342 1.00 0.00 O ATOM 195 O5' U A 7 -0.987 12.932 1.101 1.00 0.00 O ATOM 196 C5' U A 7 -0.141 14.034 1.451 1.00 0.00 C ATOM 197 C4' U A 7 0.102 14.089 2.956 1.00 0.00 C ATOM 198 O4' U A 7 -1.153 14.288 3.630 1.00 0.00 O ATOM 199 C3' U A 7 0.668 12.801 3.546 1.00 0.00 C ATOM 200 O3' U A 7 1.417 13.152 4.716 1.00 0.00 O ATOM 201 C2' U A 7 -0.573 12.050 4.000 1.00 0.00 C ATOM 202 O2' U A 7 -0.257 11.132 5.049 1.00 0.00 O ATOM 203 C1' U A 7 -1.424 13.199 4.523 1.00 0.00 C ATOM 204 N1 U A 7 -2.869 12.897 4.482 1.00 0.00 N ATOM 205 C2 U A 7 -3.547 12.841 5.686 1.00 0.00 C ATOM 206 O2 U A 7 -2.999 13.042 6.767 1.00 0.00 O ATOM 207 N3 U A 7 -4.889 12.549 5.610 1.00 0.00 N ATOM 208 C4 U A 7 -5.607 12.313 4.457 1.00 0.00 C ATOM 209 O4 U A 7 -6.808 12.063 4.526 1.00 0.00 O ATOM 210 C5 U A 7 -4.836 12.389 3.240 1.00 0.00 C ATOM 211 C6 U A 7 -3.512 12.675 3.292 1.00 0.00 C ATOM 0 H5' U A 7 -0.599 14.966 1.120 1.00 0.00 H new ATOM 0 H5'' U A 7 0.812 13.944 0.930 1.00 0.00 H new ATOM 0 H4' U A 7 0.821 14.896 3.099 1.00 0.00 H new ATOM 0 H3' U A 7 1.297 12.238 2.857 1.00 0.00 H new ATOM 0 H2' U A 7 -1.049 11.447 3.226 1.00 0.00 H new ATOM 0 HO2' U A 7 -0.738 10.291 4.903 1.00 0.00 H new ATOM 0 H1' U A 7 -1.182 13.409 5.565 1.00 0.00 H new ATOM 0 H3 U A 7 -5.402 12.503 6.491 1.00 0.00 H new ATOM 0 H5 U A 7 -5.314 12.218 2.287 1.00 0.00 H new ATOM 0 H6 U A 7 -2.949 12.729 2.372 1.00 0.00 H new ATOM 222 P C A 8 2.996 12.833 4.794 1.00 0.00 P ATOM 223 OP1 C A 8 3.436 13.004 6.197 1.00 0.00 O ATOM 224 OP2 C A 8 3.674 13.583 3.713 1.00 0.00 O ATOM 225 O5' C A 8 3.057 11.262 4.429 1.00 0.00 O ATOM 226 C5' C A 8 2.512 10.283 5.323 1.00 0.00 C ATOM 227 C4' C A 8 2.697 8.860 4.799 1.00 0.00 C ATOM 228 O4' C A 8 1.958 8.695 3.576 1.00 0.00 O ATOM 229 C3' C A 8 4.138 8.484 4.449 1.00 0.00 C ATOM 230 O3' C A 8 4.273 7.070 4.670 1.00 0.00 O ATOM 231 C2' C A 8 4.206 8.728 2.947 1.00 0.00 C ATOM 232 O2' C A 8 5.228 7.926 2.345 1.00 0.00 O ATOM 233 C1' C A 8 2.823 8.255 2.523 1.00 0.00 C ATOM 234 N1 C A 8 2.361 8.862 1.255 1.00 0.00 N ATOM 235 C2 C A 8 2.300 8.051 0.132 1.00 0.00 C ATOM 236 O2 C A 8 2.656 6.876 0.194 1.00 0.00 O ATOM 237 N3 C A 8 1.835 8.582 -1.033 1.00 0.00 N ATOM 238 C4 C A 8 1.447 9.861 -1.091 1.00 0.00 C ATOM 239 N4 C A 8 0.982 10.315 -2.250 1.00 0.00 N ATOM 240 C5 C A 8 1.511 10.703 0.060 1.00 0.00 C ATOM 241 C6 C A 8 1.971 10.166 1.204 1.00 0.00 C ATOM 0 H5' C A 8 1.450 10.479 5.471 1.00 0.00 H new ATOM 0 H5'' C A 8 2.992 10.375 6.297 1.00 0.00 H new ATOM 0 H4' C A 8 2.356 8.225 5.617 1.00 0.00 H new ATOM 0 H3' C A 8 4.894 9.027 5.017 1.00 0.00 H new ATOM 0 H2' C A 8 4.444 9.753 2.662 1.00 0.00 H new ATOM 0 HO2' C A 8 5.419 7.155 2.919 1.00 0.00 H new ATOM 0 H1' C A 8 2.831 7.178 2.358 1.00 0.00 H new ATOM 0 H41 C A 8 0.677 11.285 -2.332 1.00 0.00 H new ATOM 0 H42 C A 8 0.930 9.694 -3.057 1.00 0.00 H new ATOM 0 H5 C A 8 1.201 11.736 0.014 1.00 0.00 H new ATOM 0 H6 C A 8 2.032 10.776 2.093 1.00 0.00 H new ATOM 253 P G A 9 5.439 6.485 5.624 1.00 0.00 P ATOM 254 OP1 G A 9 6.533 7.483 5.684 1.00 0.00 O ATOM 255 OP2 G A 9 5.737 5.100 5.195 1.00 0.00 O ATOM 256 O5' G A 9 4.735 6.420 7.074 1.00 0.00 O ATOM 257 C5' G A 9 4.139 7.587 7.656 1.00 0.00 C ATOM 258 C4' G A 9 3.123 7.229 8.736 1.00 0.00 C ATOM 259 O4' G A 9 2.214 8.328 8.896 1.00 0.00 O ATOM 260 C3' G A 9 2.210 6.063 8.400 1.00 0.00 C ATOM 261 O3' G A 9 2.843 4.867 8.877 1.00 0.00 O ATOM 262 C2' G A 9 1.006 6.332 9.284 1.00 0.00 C ATOM 263 O2' G A 9 1.282 5.964 10.641 1.00 0.00 O ATOM 264 C1' G A 9 0.878 7.850 9.153 1.00 0.00 C ATOM 265 N9 G A 9 -0.008 8.259 8.037 1.00 0.00 N ATOM 266 C8 G A 9 -1.005 9.199 8.050 1.00 0.00 C ATOM 267 N7 G A 9 -1.614 9.339 6.905 1.00 0.00 N ATOM 268 C5 G A 9 -0.974 8.428 6.070 1.00 0.00 C ATOM 269 C6 G A 9 -1.202 8.127 4.697 1.00 0.00 C ATOM 270 O6 G A 9 -2.034 8.613 3.934 1.00 0.00 O ATOM 271 N1 G A 9 -0.340 7.149 4.240 1.00 0.00 N ATOM 272 C2 G A 9 0.620 6.530 4.997 1.00 0.00 C ATOM 273 N2 G A 9 1.365 5.615 4.397 1.00 0.00 N ATOM 274 N3 G A 9 0.844 6.800 6.280 1.00 0.00 N ATOM 275 C4 G A 9 0.012 7.758 6.753 1.00 0.00 C ATOM 0 H5' G A 9 3.650 8.172 6.877 1.00 0.00 H new ATOM 0 H5'' G A 9 4.918 8.217 8.085 1.00 0.00 H new ATOM 0 H4' G A 9 3.729 6.981 9.608 1.00 0.00 H new ATOM 0 H3' G A 9 1.978 5.959 7.340 1.00 0.00 H new ATOM 0 H2' G A 9 0.110 5.777 9.007 1.00 0.00 H new ATOM 0 HO2' G A 9 2.006 5.304 10.660 1.00 0.00 H new ATOM 0 H1' G A 9 0.436 8.263 10.059 1.00 0.00 H new ATOM 0 H8 G A 9 -1.263 9.772 8.928 1.00 0.00 H new ATOM 0 H1 G A 9 -0.425 6.866 3.264 1.00 0.00 H new ATOM 0 H21 G A 9 2.093 5.127 4.919 1.00 0.00 H new ATOM 0 H22 G A 9 1.211 5.398 3.412 1.00 0.00 H new ATOM 287 P G A 10 3.222 3.673 7.861 1.00 0.00 P ATOM 288 OP1 G A 10 4.577 3.188 8.207 1.00 0.00 O ATOM 289 OP2 G A 10 2.931 4.119 6.479 1.00 0.00 O ATOM 290 O5' G A 10 2.163 2.514 8.249 1.00 0.00 O ATOM 291 C5' G A 10 1.570 2.457 9.556 1.00 0.00 C ATOM 292 C4' G A 10 0.076 2.779 9.521 1.00 0.00 C ATOM 293 O4' G A 10 -0.121 3.894 8.642 1.00 0.00 O ATOM 294 C3' G A 10 -0.797 1.683 8.926 1.00 0.00 C ATOM 295 O3' G A 10 -1.298 0.886 10.008 1.00 0.00 O ATOM 296 C2' G A 10 -1.966 2.462 8.353 1.00 0.00 C ATOM 297 O2' G A 10 -2.863 2.866 9.393 1.00 0.00 O ATOM 298 C1' G A 10 -1.239 3.666 7.771 1.00 0.00 C ATOM 299 N9 G A 10 -0.693 3.366 6.439 1.00 0.00 N ATOM 300 C8 G A 10 0.409 2.609 6.138 1.00 0.00 C ATOM 301 N7 G A 10 0.640 2.504 4.861 1.00 0.00 N ATOM 302 C5 G A 10 -0.382 3.244 4.276 1.00 0.00 C ATOM 303 C6 G A 10 -0.654 3.496 2.907 1.00 0.00 C ATOM 304 O6 G A 10 -0.032 3.115 1.921 1.00 0.00 O ATOM 305 N1 G A 10 -1.776 4.286 2.748 1.00 0.00 N ATOM 306 C2 G A 10 -2.545 4.778 3.769 1.00 0.00 C ATOM 307 N2 G A 10 -3.588 5.524 3.430 1.00 0.00 N ATOM 308 N3 G A 10 -2.304 4.554 5.060 1.00 0.00 N ATOM 309 C4 G A 10 -1.206 3.778 5.238 1.00 0.00 C ATOM 0 H5' G A 10 2.077 3.161 10.215 1.00 0.00 H new ATOM 0 H5'' G A 10 1.717 1.463 9.978 1.00 0.00 H new ATOM 0 H4' G A 10 -0.206 2.941 10.561 1.00 0.00 H new ATOM 0 H3' G A 10 -0.284 1.047 8.205 1.00 0.00 H new ATOM 0 H2' G A 10 -2.579 1.910 7.641 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.702 2.323 10.193 1.00 0.00 H new ATOM 0 H1' G A 10 -1.920 4.513 7.687 1.00 0.00 H new ATOM 0 H8 G A 10 1.028 2.143 6.890 1.00 0.00 H new ATOM 0 H1 G A 10 -2.054 4.521 1.795 1.00 0.00 H new ATOM 0 H21 G A 10 -4.192 5.914 4.153 1.00 0.00 H new ATOM 0 H22 G A 10 -3.786 5.707 2.446 1.00 0.00 H new ATOM 321 P G A 11 -1.623 -0.680 9.791 1.00 0.00 P ATOM 322 OP1 G A 11 -2.104 -1.235 11.077 1.00 0.00 O ATOM 323 OP2 G A 11 -0.467 -1.300 9.106 1.00 0.00 O ATOM 324 O5' G A 11 -2.862 -0.647 8.757 1.00 0.00 O ATOM 325 C5' G A 11 -4.185 -0.322 9.204 1.00 0.00 C ATOM 326 C4' G A 11 -5.167 -0.194 8.040 1.00 0.00 C ATOM 327 O4' G A 11 -4.722 0.831 7.143 1.00 0.00 O ATOM 328 C3' G A 11 -5.274 -1.411 7.142 1.00 0.00 C ATOM 329 O3' G A 11 -6.243 -2.296 7.720 1.00 0.00 O ATOM 330 C2' G A 11 -5.891 -0.807 5.891 1.00 0.00 C ATOM 331 O2' G A 11 -7.290 -0.571 6.084 1.00 0.00 O ATOM 332 C1' G A 11 -5.127 0.517 5.794 1.00 0.00 C ATOM 333 N9 G A 11 -3.923 0.417 4.944 1.00 0.00 N ATOM 334 C8 G A 11 -2.606 0.364 5.324 1.00 0.00 C ATOM 335 N7 G A 11 -1.774 0.293 4.322 1.00 0.00 N ATOM 336 C5 G A 11 -2.598 0.298 3.201 1.00 0.00 C ATOM 337 C6 G A 11 -2.262 0.238 1.820 1.00 0.00 C ATOM 338 O6 G A 11 -1.152 0.170 1.304 1.00 0.00 O ATOM 339 N1 G A 11 -3.389 0.265 1.022 1.00 0.00 N ATOM 340 C2 G A 11 -4.679 0.342 1.482 1.00 0.00 C ATOM 341 N2 G A 11 -5.644 0.357 0.573 1.00 0.00 N ATOM 342 N3 G A 11 -5.010 0.401 2.769 1.00 0.00 N ATOM 343 C4 G A 11 -3.919 0.373 3.572 1.00 0.00 C ATOM 0 H5' G A 11 -4.160 0.614 9.762 1.00 0.00 H new ATOM 0 H5'' G A 11 -4.535 -1.093 9.891 1.00 0.00 H new ATOM 0 H4' G A 11 -6.121 -0.009 8.534 1.00 0.00 H new ATOM 0 H3' G A 11 -4.340 -1.950 6.983 1.00 0.00 H new ATOM 0 H2' G A 11 -5.819 -1.435 5.003 1.00 0.00 H new ATOM 0 HO2' G A 11 -7.663 -1.270 6.661 1.00 0.00 H new ATOM 0 H1' G A 11 -5.763 1.279 5.343 1.00 0.00 H new ATOM 0 H8 G A 11 -2.288 0.380 6.356 1.00 0.00 H new ATOM 0 H1 G A 11 -3.251 0.225 0.012 1.00 0.00 H new ATOM 0 H21 G A 11 -6.619 0.413 0.866 1.00 0.00 H new ATOM 0 H22 G A 11 -5.411 0.312 -0.419 1.00 0.00 H new ATOM 355 P U A 12 -6.095 -3.894 7.564 1.00 0.00 P ATOM 356 OP1 U A 12 -7.318 -4.528 8.106 1.00 0.00 O ATOM 357 OP2 U A 12 -4.766 -4.289 8.081 1.00 0.00 O ATOM 358 O5' U A 12 -6.089 -4.093 5.964 1.00 0.00 O ATOM 359 C5' U A 12 -7.310 -4.077 5.214 1.00 0.00 C ATOM 360 C4' U A 12 -7.048 -4.145 3.712 1.00 0.00 C ATOM 361 O4' U A 12 -6.304 -2.988 3.308 1.00 0.00 O ATOM 362 C3' U A 12 -6.178 -5.306 3.272 1.00 0.00 C ATOM 363 O3' U A 12 -7.047 -6.410 2.987 1.00 0.00 O ATOM 364 C2' U A 12 -5.613 -4.805 1.956 1.00 0.00 C ATOM 365 O2' U A 12 -6.587 -4.913 0.913 1.00 0.00 O ATOM 366 C1' U A 12 -5.343 -3.336 2.294 1.00 0.00 C ATOM 367 N1 U A 12 -3.985 -3.126 2.841 1.00 0.00 N ATOM 368 C2 U A 12 -2.953 -2.949 1.942 1.00 0.00 C ATOM 369 O2 U A 12 -3.121 -2.977 0.724 1.00 0.00 O ATOM 370 N3 U A 12 -1.704 -2.753 2.487 1.00 0.00 N ATOM 371 C4 U A 12 -1.399 -2.720 3.830 1.00 0.00 C ATOM 372 O4 U A 12 -0.240 -2.550 4.189 1.00 0.00 O ATOM 373 C5 U A 12 -2.526 -2.912 4.711 1.00 0.00 C ATOM 374 C6 U A 12 -3.763 -3.104 4.195 1.00 0.00 C ATOM 0 H5' U A 12 -7.868 -3.170 5.446 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.933 -4.920 5.514 1.00 0.00 H new ATOM 0 H4' U A 12 -8.039 -4.237 3.268 1.00 0.00 H new ATOM 0 H3' U A 12 -5.423 -5.611 3.997 1.00 0.00 H new ATOM 0 H2' U A 12 -4.742 -5.355 1.599 1.00 0.00 H new ATOM 0 HO2' U A 12 -7.224 -5.624 1.133 1.00 0.00 H new ATOM 0 H1' U A 12 -5.422 -2.728 1.393 1.00 0.00 H new ATOM 0 H3 U A 12 -0.931 -2.620 1.835 1.00 0.00 H new ATOM 0 H5 U A 12 -2.383 -2.903 5.781 1.00 0.00 H new ATOM 0 H6 U A 12 -4.597 -3.244 4.867 1.00 0.00 H new ATOM 385 P C A 13 -6.700 -7.889 3.522 1.00 0.00 P ATOM 386 OP1 C A 13 -7.958 -8.666 3.588 1.00 0.00 O ATOM 387 OP2 C A 13 -5.847 -7.760 4.726 1.00 0.00 O ATOM 388 O5' C A 13 -5.794 -8.487 2.331 1.00 0.00 O ATOM 389 C5' C A 13 -6.401 -9.053 1.161 1.00 0.00 C ATOM 390 C4' C A 13 -5.394 -9.218 0.026 1.00 0.00 C ATOM 391 O4' C A 13 -4.857 -7.937 -0.327 1.00 0.00 O ATOM 392 C3' C A 13 -4.164 -10.034 0.374 1.00 0.00 C ATOM 393 O3' C A 13 -4.471 -11.411 0.106 1.00 0.00 O ATOM 394 C2' C A 13 -3.170 -9.564 -0.675 1.00 0.00 C ATOM 395 O2' C A 13 -3.444 -10.171 -1.943 1.00 0.00 O ATOM 396 C1' C A 13 -3.474 -8.064 -0.715 1.00 0.00 C ATOM 397 N1 C A 13 -2.643 -7.291 0.234 1.00 0.00 N ATOM 398 C2 C A 13 -1.512 -6.663 -0.265 1.00 0.00 C ATOM 399 O2 C A 13 -1.226 -6.750 -1.455 1.00 0.00 O ATOM 400 N3 C A 13 -0.728 -5.952 0.589 1.00 0.00 N ATOM 401 C4 C A 13 -1.040 -5.858 1.884 1.00 0.00 C ATOM 402 N4 C A 13 -0.228 -5.155 2.664 1.00 0.00 N ATOM 403 C5 C A 13 -2.205 -6.500 2.409 1.00 0.00 C ATOM 404 C6 C A 13 -2.973 -7.203 1.555 1.00 0.00 C ATOM 0 H5' C A 13 -7.220 -8.414 0.831 1.00 0.00 H new ATOM 0 H5'' C A 13 -6.833 -10.023 1.408 1.00 0.00 H new ATOM 0 H4' C A 13 -5.962 -9.719 -0.758 1.00 0.00 H new ATOM 0 H3' C A 13 -3.819 -9.930 1.403 1.00 0.00 H new ATOM 0 H2' C A 13 -2.131 -9.809 -0.455 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.041 -10.938 -1.816 1.00 0.00 H new ATOM 0 H1' C A 13 -3.263 -7.672 -1.710 1.00 0.00 H new ATOM 0 H41 C A 13 -0.432 -5.060 3.659 1.00 0.00 H new ATOM 0 H42 C A 13 0.600 -4.710 2.269 1.00 0.00 H new ATOM 0 H5 C A 13 -2.460 -6.424 3.456 1.00 0.00 H new ATOM 0 H6 C A 13 -3.859 -7.702 1.919 1.00 0.00 H new ATOM 416 P C A 14 -4.372 -12.519 1.273 1.00 0.00 P ATOM 417 OP1 C A 14 -5.348 -13.592 0.980 1.00 0.00 O ATOM 418 OP2 C A 14 -4.407 -11.823 2.580 1.00 0.00 O ATOM 419 O5' C A 14 -2.887 -13.114 1.066 1.00 0.00 O ATOM 420 C5' C A 14 -2.520 -13.770 -0.154 1.00 0.00 C ATOM 421 C4' C A 14 -1.150 -13.313 -0.645 1.00 0.00 C ATOM 422 O4' C A 14 -1.139 -11.885 -0.754 1.00 0.00 O ATOM 423 C3' C A 14 0.003 -13.615 0.296 1.00 0.00 C ATOM 424 O3' C A 14 0.472 -14.956 0.123 1.00 0.00 O ATOM 425 C2' C A 14 1.037 -12.610 -0.191 1.00 0.00 C ATOM 426 O2' C A 14 1.632 -13.051 -1.418 1.00 0.00 O ATOM 427 C1' C A 14 0.165 -11.375 -0.430 1.00 0.00 C ATOM 428 N1 C A 14 0.058 -10.513 0.768 1.00 0.00 N ATOM 429 C2 C A 14 0.878 -9.397 0.831 1.00 0.00 C ATOM 430 O2 C A 14 1.645 -9.135 -0.091 1.00 0.00 O ATOM 431 N3 C A 14 0.813 -8.597 1.928 1.00 0.00 N ATOM 432 C4 C A 14 -0.029 -8.880 2.929 1.00 0.00 C ATOM 433 N4 C A 14 -0.036 -8.063 3.977 1.00 0.00 N ATOM 434 C5 C A 14 -0.881 -10.027 2.871 1.00 0.00 C ATOM 435 C6 C A 14 -0.808 -10.810 1.781 1.00 0.00 C ATOM 0 H5' C A 14 -3.269 -13.564 -0.919 1.00 0.00 H new ATOM 0 H5'' C A 14 -2.511 -14.849 0.000 1.00 0.00 H new ATOM 0 H4' C A 14 -1.008 -13.853 -1.581 1.00 0.00 H new ATOM 0 H3' C A 14 -0.244 -13.537 1.355 1.00 0.00 H new ATOM 0 H2' C A 14 1.867 -12.450 0.498 1.00 0.00 H new ATOM 0 HO2' C A 14 1.478 -14.012 -1.530 1.00 0.00 H new ATOM 0 HO3' C A 14 1.215 -15.125 0.739 1.00 0.00 H new ATOM 0 H1' C A 14 0.601 -10.759 -1.217 1.00 0.00 H new ATOM 0 H41 C A 14 -0.663 -8.244 4.761 1.00 0.00 H new ATOM 0 H42 C A 14 0.586 -7.255 3.998 1.00 0.00 H new ATOM 0 H5 C A 14 -1.562 -10.257 3.677 1.00 0.00 H new ATOM 0 H6 C A 14 -1.440 -11.682 1.706 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 3.174 -0.437 2.800 1.00 0.00 CO HETATM 450 N1 NCO A 15 2.635 1.416 2.329 1.00 0.00 N HETATM 451 N2 NCO A 15 3.713 -2.290 3.272 1.00 0.00 N HETATM 452 N3 NCO A 15 4.344 -0.504 1.196 1.00 0.00 N HETATM 453 N4 NCO A 15 2.004 -0.369 4.405 1.00 0.00 N HETATM 454 N5 NCO A 15 1.662 -1.149 1.728 1.00 0.00 N HETATM 455 N6 NCO A 15 4.688 0.276 3.873 1.00 0.00 N