USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 -14:sc= 0.331 USER MOD Single : A 1 G O5' : rot 180:sc= -0.342 USER MOD Single : A 2 G O2' : rot -12:sc= 0.296 USER MOD Single : A 3 U O2' : rot -11:sc= 0.381 USER MOD Single : A 4 U O2' : rot -20:sc= 0.378 USER MOD Single : A 5 C O2' : rot -72:sc= 1.23 USER MOD Single : A 6 A O2' : rot -17:sc= -0.972 USER MOD Single : A 7 G O2' : rot 29:sc= 0.257 USER MOD Single : A 8 A O2' : rot -154:sc= -4.99! USER MOD Single : A 9 A O2' : rot -7:sc= 0.543 USER MOD Single : A 10 G O2' : rot -18:sc= 0.273 USER MOD Single : A 11 A O2' : rot -24:sc= 0.39 USER MOD Single : A 12 A O2' : rot -16:sc= 0.272 USER MOD Single : A 13 C O2' : rot -25:sc= 0.383 USER MOD Single : A 14 C O2' : rot -14:sc= 0.2 USER MOD Single : A 14 C O3' : rot 180:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.241 -3.736 -8.719 1.00 0.00 O ATOM 2 C5' G A 1 -5.533 -4.042 -9.248 1.00 0.00 C ATOM 3 C4' G A 1 -6.078 -5.347 -8.676 1.00 0.00 C ATOM 4 O4' G A 1 -5.100 -6.390 -8.745 1.00 0.00 O ATOM 5 C3' G A 1 -6.421 -5.195 -7.203 1.00 0.00 C ATOM 6 O3' G A 1 -7.812 -4.883 -7.092 1.00 0.00 O ATOM 7 C2' G A 1 -6.199 -6.590 -6.650 1.00 0.00 C ATOM 8 O2' G A 1 -7.364 -7.409 -6.808 1.00 0.00 O ATOM 9 C1' G A 1 -5.039 -7.099 -7.498 1.00 0.00 C ATOM 10 N9 G A 1 -3.751 -6.867 -6.819 1.00 0.00 N ATOM 11 C8 G A 1 -2.784 -5.955 -7.083 1.00 0.00 C ATOM 12 N7 G A 1 -1.737 -5.958 -6.327 1.00 0.00 N ATOM 13 C5 G A 1 -2.028 -7.000 -5.441 1.00 0.00 C ATOM 14 C6 G A 1 -1.266 -7.512 -4.356 1.00 0.00 C ATOM 15 O6 G A 1 -0.166 -7.140 -3.955 1.00 0.00 O ATOM 16 N1 G A 1 -1.922 -8.562 -3.723 1.00 0.00 N ATOM 17 C2 G A 1 -3.157 -9.062 -4.087 1.00 0.00 C ATOM 18 N2 G A 1 -3.623 -10.076 -3.356 1.00 0.00 N ATOM 19 N3 G A 1 -3.879 -8.586 -5.106 1.00 0.00 N ATOM 20 C4 G A 1 -3.260 -7.562 -5.736 1.00 0.00 C ATOM 0 H5' G A 1 -5.474 -4.116 -10.334 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.222 -3.228 -9.021 1.00 0.00 H new ATOM 0 H4' G A 1 -6.960 -5.593 -9.267 1.00 0.00 H new ATOM 0 H3' G A 1 -5.842 -4.423 -6.696 1.00 0.00 H new ATOM 0 H2' G A 1 -5.993 -6.605 -5.580 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.133 -6.844 -7.031 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.920 -2.895 -9.107 1.00 0.00 H new ATOM 0 H1' G A 1 -5.116 -8.174 -7.660 1.00 0.00 H new ATOM 0 H8 G A 1 -2.885 -5.251 -7.896 1.00 0.00 H new ATOM 0 H1 G A 1 -1.455 -8.997 -2.928 1.00 0.00 H new ATOM 0 H21 G A 1 -4.530 -10.488 -3.575 1.00 0.00 H new ATOM 0 H22 G A 1 -3.073 -10.439 -2.578 1.00 0.00 H new ATOM 33 P G A 2 -8.304 -3.686 -6.132 1.00 0.00 P ATOM 34 OP1 G A 2 -9.601 -3.187 -6.641 1.00 0.00 O ATOM 35 OP2 G A 2 -7.174 -2.748 -5.947 1.00 0.00 O ATOM 36 O5' G A 2 -8.567 -4.441 -4.735 1.00 0.00 O ATOM 37 C5' G A 2 -9.836 -5.041 -4.460 1.00 0.00 C ATOM 38 C4' G A 2 -9.820 -5.812 -3.143 1.00 0.00 C ATOM 39 O4' G A 2 -8.805 -6.821 -3.142 1.00 0.00 O ATOM 40 C3' G A 2 -9.486 -4.898 -1.977 1.00 0.00 C ATOM 41 O3' G A 2 -10.705 -4.398 -1.421 1.00 0.00 O ATOM 42 C2' G A 2 -8.855 -5.847 -0.977 1.00 0.00 C ATOM 43 O2' G A 2 -9.844 -6.516 -0.185 1.00 0.00 O ATOM 44 C1' G A 2 -8.113 -6.822 -1.882 1.00 0.00 C ATOM 45 N9 G A 2 -6.707 -6.408 -2.046 1.00 0.00 N ATOM 46 C8 G A 2 -6.120 -5.709 -3.047 1.00 0.00 C ATOM 47 N7 G A 2 -4.860 -5.449 -2.939 1.00 0.00 N ATOM 48 C5 G A 2 -4.553 -6.044 -1.711 1.00 0.00 C ATOM 49 C6 G A 2 -3.315 -6.112 -1.015 1.00 0.00 C ATOM 50 O6 G A 2 -2.226 -5.649 -1.349 1.00 0.00 O ATOM 51 N1 G A 2 -3.442 -6.802 0.184 1.00 0.00 N ATOM 52 C2 G A 2 -4.611 -7.361 0.660 1.00 0.00 C ATOM 53 N2 G A 2 -4.528 -7.985 1.835 1.00 0.00 N ATOM 54 N3 G A 2 -5.778 -7.302 0.013 1.00 0.00 N ATOM 55 C4 G A 2 -5.680 -6.634 -1.159 1.00 0.00 C ATOM 0 H5' G A 2 -10.104 -5.715 -5.274 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.604 -4.268 -4.420 1.00 0.00 H new ATOM 0 H4' G A 2 -10.814 -6.247 -3.041 1.00 0.00 H new ATOM 0 H3' G A 2 -8.854 -4.052 -2.247 1.00 0.00 H new ATOM 0 H2' G A 2 -8.213 -5.348 -0.251 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.714 -6.085 -0.316 1.00 0.00 H new ATOM 0 H1' G A 2 -8.096 -7.824 -1.454 1.00 0.00 H new ATOM 0 H8 G A 2 -6.687 -5.381 -3.906 1.00 0.00 H new ATOM 0 H1 G A 2 -2.605 -6.904 0.758 1.00 0.00 H new ATOM 0 H21 G A 2 -5.357 -8.419 2.242 1.00 0.00 H new ATOM 0 H22 G A 2 -3.636 -8.028 2.328 1.00 0.00 H new ATOM 67 P U A 3 -10.795 -2.877 -0.902 1.00 0.00 P ATOM 68 OP1 U A 3 -12.201 -2.596 -0.530 1.00 0.00 O ATOM 69 OP2 U A 3 -10.106 -2.011 -1.885 1.00 0.00 O ATOM 70 O5' U A 3 -9.914 -2.912 0.445 1.00 0.00 O ATOM 71 C5' U A 3 -10.520 -3.243 1.697 1.00 0.00 C ATOM 72 C4' U A 3 -9.498 -3.263 2.833 1.00 0.00 C ATOM 73 O4' U A 3 -8.422 -4.156 2.558 1.00 0.00 O ATOM 74 C3' U A 3 -8.843 -1.908 3.010 1.00 0.00 C ATOM 75 O3' U A 3 -9.634 -1.131 3.913 1.00 0.00 O ATOM 76 C2' U A 3 -7.534 -2.257 3.699 1.00 0.00 C ATOM 77 O2' U A 3 -7.684 -2.298 5.122 1.00 0.00 O ATOM 78 C1' U A 3 -7.208 -3.641 3.131 1.00 0.00 C ATOM 79 N1 U A 3 -6.137 -3.547 2.122 1.00 0.00 N ATOM 80 C2 U A 3 -4.835 -3.589 2.576 1.00 0.00 C ATOM 81 O2 U A 3 -4.562 -3.710 3.769 1.00 0.00 O ATOM 82 N3 U A 3 -3.850 -3.486 1.611 1.00 0.00 N ATOM 83 C4 U A 3 -4.053 -3.348 0.249 1.00 0.00 C ATOM 84 O4 U A 3 -3.097 -3.263 -0.520 1.00 0.00 O ATOM 85 C5 U A 3 -5.446 -3.314 -0.137 1.00 0.00 C ATOM 86 C6 U A 3 -6.429 -3.414 0.791 1.00 0.00 C ATOM 0 H5' U A 3 -11.000 -4.219 1.622 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.303 -2.520 1.925 1.00 0.00 H new ATOM 0 H4' U A 3 -10.058 -3.566 3.718 1.00 0.00 H new ATOM 0 H3' U A 3 -8.724 -1.351 2.081 1.00 0.00 H new ATOM 0 H2' U A 3 -6.748 -1.523 3.522 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.553 -1.919 5.370 1.00 0.00 H new ATOM 0 H1' U A 3 -6.845 -4.309 3.912 1.00 0.00 H new ATOM 0 H3 U A 3 -2.883 -3.514 1.933 1.00 0.00 H new ATOM 0 H5 U A 3 -5.707 -3.207 -1.180 1.00 0.00 H new ATOM 0 H6 U A 3 -7.461 -3.388 0.475 1.00 0.00 H new ATOM 97 P U A 4 -9.555 0.477 3.881 1.00 0.00 P ATOM 98 OP1 U A 4 -10.542 1.008 4.847 1.00 0.00 O ATOM 99 OP2 U A 4 -9.599 0.913 2.468 1.00 0.00 O ATOM 100 O5' U A 4 -8.079 0.768 4.455 1.00 0.00 O ATOM 101 C5' U A 4 -7.875 0.945 5.859 1.00 0.00 C ATOM 102 C4' U A 4 -6.402 1.169 6.195 1.00 0.00 C ATOM 103 O4' U A 4 -5.557 0.238 5.528 1.00 0.00 O ATOM 104 C3' U A 4 -5.924 2.524 5.714 1.00 0.00 C ATOM 105 O3' U A 4 -6.192 3.494 6.729 1.00 0.00 O ATOM 106 C2' U A 4 -4.418 2.335 5.619 1.00 0.00 C ATOM 107 O2' U A 4 -3.767 2.686 6.845 1.00 0.00 O ATOM 108 C1' U A 4 -4.269 0.841 5.317 1.00 0.00 C ATOM 109 N1 U A 4 -3.804 0.636 3.932 1.00 0.00 N ATOM 110 C2 U A 4 -2.441 0.683 3.710 1.00 0.00 C ATOM 111 O2 U A 4 -1.638 0.878 4.620 1.00 0.00 O ATOM 112 N3 U A 4 -2.030 0.498 2.404 1.00 0.00 N ATOM 113 C4 U A 4 -2.854 0.273 1.313 1.00 0.00 C ATOM 114 O4 U A 4 -2.378 0.121 0.190 1.00 0.00 O ATOM 115 C5 U A 4 -4.263 0.239 1.637 1.00 0.00 C ATOM 116 C6 U A 4 -4.688 0.418 2.911 1.00 0.00 C ATOM 0 H5' U A 4 -8.240 0.067 6.393 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.461 1.796 6.207 1.00 0.00 H new ATOM 0 H4' U A 4 -6.342 1.068 7.279 1.00 0.00 H new ATOM 0 H3' U A 4 -6.393 2.851 4.786 1.00 0.00 H new ATOM 0 H2' U A 4 -3.958 2.971 4.862 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.357 3.261 7.375 1.00 0.00 H new ATOM 0 H1' U A 4 -3.525 0.383 5.969 1.00 0.00 H new ATOM 0 H3 U A 4 -1.026 0.530 2.226 1.00 0.00 H new ATOM 0 H5 U A 4 -4.986 0.069 0.853 1.00 0.00 H new ATOM 0 H6 U A 4 -5.746 0.388 3.125 1.00 0.00 H new ATOM 127 P C A 5 -6.389 5.042 6.335 1.00 0.00 P ATOM 128 OP1 C A 5 -6.690 5.799 7.571 1.00 0.00 O ATOM 129 OP2 C A 5 -7.315 5.111 5.183 1.00 0.00 O ATOM 130 O5' C A 5 -4.921 5.469 5.826 1.00 0.00 O ATOM 131 C5' C A 5 -3.963 5.992 6.750 1.00 0.00 C ATOM 132 C4' C A 5 -2.607 6.231 6.090 1.00 0.00 C ATOM 133 O4' C A 5 -2.198 5.118 5.310 1.00 0.00 O ATOM 134 C3' C A 5 -2.664 7.388 5.109 1.00 0.00 C ATOM 135 O3' C A 5 -2.327 8.590 5.808 1.00 0.00 O ATOM 136 C2' C A 5 -1.540 7.079 4.122 1.00 0.00 C ATOM 137 O2' C A 5 -0.364 7.838 4.423 1.00 0.00 O ATOM 138 C1' C A 5 -1.292 5.576 4.299 1.00 0.00 C ATOM 139 N1 C A 5 -1.502 4.857 3.030 1.00 0.00 N ATOM 140 C2 C A 5 -0.405 4.701 2.200 1.00 0.00 C ATOM 141 O2 C A 5 0.689 5.149 2.537 1.00 0.00 O ATOM 142 N3 C A 5 -0.576 4.047 1.020 1.00 0.00 N ATOM 143 C4 C A 5 -1.775 3.566 0.667 1.00 0.00 C ATOM 144 N4 C A 5 -1.905 2.932 -0.498 1.00 0.00 N ATOM 145 C5 C A 5 -2.912 3.725 1.521 1.00 0.00 C ATOM 146 C6 C A 5 -2.731 4.374 2.687 1.00 0.00 C ATOM 0 H5' C A 5 -3.845 5.298 7.582 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.334 6.928 7.167 1.00 0.00 H new ATOM 0 H4' C A 5 -1.919 6.424 6.914 1.00 0.00 H new ATOM 0 H3' C A 5 -3.639 7.508 4.637 1.00 0.00 H new ATOM 0 H2' C A 5 -1.801 7.340 3.096 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.511 8.777 4.186 1.00 0.00 H new ATOM 0 H1' C A 5 -0.261 5.386 4.597 1.00 0.00 H new ATOM 0 H41 C A 5 -2.813 2.561 -0.778 1.00 0.00 H new ATOM 0 H42 C A 5 -1.097 2.818 -1.109 1.00 0.00 H new ATOM 0 H5 C A 5 -3.881 3.338 1.241 1.00 0.00 H new ATOM 0 H6 C A 5 -3.567 4.513 3.357 1.00 0.00 H new ATOM 158 P A A 6 -2.627 10.028 5.147 1.00 0.00 P ATOM 159 OP1 A A 6 -2.248 11.075 6.122 1.00 0.00 O ATOM 160 OP2 A A 6 -3.997 10.002 4.587 1.00 0.00 O ATOM 161 O5' A A 6 -1.583 10.080 3.922 1.00 0.00 O ATOM 162 C5' A A 6 -2.050 10.107 2.569 1.00 0.00 C ATOM 163 C4' A A 6 -0.931 9.794 1.582 1.00 0.00 C ATOM 164 O4' A A 6 -0.745 8.382 1.444 1.00 0.00 O ATOM 165 C3' A A 6 -1.267 10.312 0.193 1.00 0.00 C ATOM 166 O3' A A 6 -0.651 11.593 0.032 1.00 0.00 O ATOM 167 C2' A A 6 -0.569 9.329 -0.730 1.00 0.00 C ATOM 168 O2' A A 6 0.781 9.726 -0.994 1.00 0.00 O ATOM 169 C1' A A 6 -0.618 8.026 0.059 1.00 0.00 C ATOM 170 N9 A A 6 -1.750 7.188 -0.377 1.00 0.00 N ATOM 171 C8 A A 6 -2.992 7.069 0.151 1.00 0.00 C ATOM 172 N7 A A 6 -3.807 6.250 -0.424 1.00 0.00 N ATOM 173 C5 A A 6 -3.020 5.753 -1.467 1.00 0.00 C ATOM 174 C6 A A 6 -3.269 4.827 -2.483 1.00 0.00 C ATOM 175 N6 A A 6 -4.437 4.200 -2.625 1.00 0.00 N ATOM 176 N1 A A 6 -2.270 4.568 -3.346 1.00 0.00 N ATOM 177 C2 A A 6 -1.093 5.185 -3.220 1.00 0.00 C ATOM 178 N3 A A 6 -0.749 6.079 -2.298 1.00 0.00 N ATOM 179 C4 A A 6 -1.766 6.320 -1.446 1.00 0.00 C ATOM 0 H5' A A 6 -2.467 11.089 2.347 1.00 0.00 H new ATOM 0 H5'' A A 6 -2.856 9.383 2.447 1.00 0.00 H new ATOM 0 H4' A A 6 -0.035 10.273 1.976 1.00 0.00 H new ATOM 0 H3' A A 6 -2.337 10.401 0.007 1.00 0.00 H new ATOM 0 H2' A A 6 -1.039 9.256 -1.711 1.00 0.00 H new ATOM 0 HO2' A A 6 0.897 10.670 -0.757 1.00 0.00 H new ATOM 0 H1' A A 6 0.286 7.440 -0.107 1.00 0.00 H new ATOM 0 H8 A A 6 -3.289 7.638 1.020 1.00 0.00 H new ATOM 0 H61 A A 6 -4.568 3.532 -3.385 1.00 0.00 H new ATOM 0 H62 A A 6 -5.199 4.388 -1.974 1.00 0.00 H new ATOM 0 H2 A A 6 -0.337 4.930 -3.947 1.00 0.00 H new ATOM 191 P G A 7 -1.203 12.638 -1.060 1.00 0.00 P ATOM 192 OP1 G A 7 -0.105 13.570 -1.403 1.00 0.00 O ATOM 193 OP2 G A 7 -2.498 13.170 -0.581 1.00 0.00 O ATOM 194 O5' G A 7 -1.485 11.699 -2.338 1.00 0.00 O ATOM 195 C5' G A 7 -0.442 11.411 -3.273 1.00 0.00 C ATOM 196 C4' G A 7 -0.929 10.499 -4.394 1.00 0.00 C ATOM 197 O4' G A 7 -1.649 9.379 -3.870 1.00 0.00 O ATOM 198 C3' G A 7 -1.891 11.241 -5.326 1.00 0.00 C ATOM 199 O3' G A 7 -1.516 10.942 -6.671 1.00 0.00 O ATOM 200 C2' G A 7 -3.247 10.601 -5.061 1.00 0.00 C ATOM 201 O2' G A 7 -4.052 10.563 -6.246 1.00 0.00 O ATOM 202 C1' G A 7 -2.856 9.208 -4.607 1.00 0.00 C ATOM 203 N9 G A 7 -3.908 8.593 -3.778 1.00 0.00 N ATOM 204 C8 G A 7 -4.495 7.382 -3.900 1.00 0.00 C ATOM 205 N7 G A 7 -5.399 7.064 -3.036 1.00 0.00 N ATOM 206 C5 G A 7 -5.430 8.203 -2.225 1.00 0.00 C ATOM 207 C6 G A 7 -6.226 8.485 -1.082 1.00 0.00 C ATOM 208 O6 G A 7 -7.075 7.774 -0.550 1.00 0.00 O ATOM 209 N1 G A 7 -5.944 9.743 -0.564 1.00 0.00 N ATOM 210 C2 G A 7 -5.014 10.625 -1.076 1.00 0.00 C ATOM 211 N2 G A 7 -4.887 11.788 -0.437 1.00 0.00 N ATOM 212 N3 G A 7 -4.261 10.367 -2.151 1.00 0.00 N ATOM 213 C4 G A 7 -4.518 9.146 -2.674 1.00 0.00 C ATOM 0 H5' G A 7 0.392 10.938 -2.754 1.00 0.00 H new ATOM 0 H5'' G A 7 -0.066 12.342 -3.698 1.00 0.00 H new ATOM 0 H4' G A 7 -0.040 10.171 -4.933 1.00 0.00 H new ATOM 0 H3' G A 7 -1.891 12.320 -5.172 1.00 0.00 H new ATOM 0 H2' G A 7 -3.853 11.144 -4.336 1.00 0.00 H new ATOM 0 HO2' G A 7 -3.472 10.516 -7.034 1.00 0.00 H new ATOM 0 H1' G A 7 -2.721 8.534 -5.453 1.00 0.00 H new ATOM 0 H8 G A 7 -4.217 6.704 -4.693 1.00 0.00 H new ATOM 0 H1 G A 7 -6.466 10.038 0.261 1.00 0.00 H new ATOM 0 H21 G A 7 -4.216 12.481 -0.768 1.00 0.00 H new ATOM 0 H22 G A 7 -5.461 11.985 0.383 1.00 0.00 H new ATOM 225 P A A 8 -1.350 12.119 -7.755 1.00 0.00 P ATOM 226 OP1 A A 8 -0.283 13.031 -7.288 1.00 0.00 O ATOM 227 OP2 A A 8 -2.694 12.653 -8.069 1.00 0.00 O ATOM 228 O5' A A 8 -0.807 11.330 -9.050 1.00 0.00 O ATOM 229 C5' A A 8 -1.237 9.993 -9.325 1.00 0.00 C ATOM 230 C4' A A 8 -0.084 9.125 -9.824 1.00 0.00 C ATOM 231 O4' A A 8 1.189 9.722 -9.522 1.00 0.00 O ATOM 232 C3' A A 8 -0.075 7.759 -9.135 1.00 0.00 C ATOM 233 O3' A A 8 0.464 6.805 -10.061 1.00 0.00 O ATOM 234 C2' A A 8 0.935 7.959 -8.027 1.00 0.00 C ATOM 235 O2' A A 8 1.473 6.718 -7.564 1.00 0.00 O ATOM 236 C1' A A 8 1.965 8.796 -8.756 1.00 0.00 C ATOM 237 N9 A A 8 2.877 9.484 -7.822 1.00 0.00 N ATOM 238 C8 A A 8 2.604 10.211 -6.713 1.00 0.00 C ATOM 239 N7 A A 8 3.607 10.717 -6.072 1.00 0.00 N ATOM 240 C5 A A 8 4.687 10.275 -6.844 1.00 0.00 C ATOM 241 C6 A A 8 6.073 10.450 -6.732 1.00 0.00 C ATOM 242 N6 A A 8 6.644 11.151 -5.754 1.00 0.00 N ATOM 243 N1 A A 8 6.848 9.874 -7.669 1.00 0.00 N ATOM 244 C2 A A 8 6.299 9.166 -8.658 1.00 0.00 C ATOM 245 N3 A A 8 5.005 8.937 -8.858 1.00 0.00 N ATOM 246 C4 A A 8 4.249 9.524 -7.910 1.00 0.00 C ATOM 0 H5' A A 8 -2.030 10.011 -10.073 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.661 9.553 -8.422 1.00 0.00 H new ATOM 0 H4' A A 8 -0.232 9.026 -10.899 1.00 0.00 H new ATOM 0 H3' A A 8 -1.053 7.420 -8.793 1.00 0.00 H new ATOM 0 H2' A A 8 0.539 8.415 -7.120 1.00 0.00 H new ATOM 0 HO2' A A 8 1.765 6.815 -6.634 1.00 0.00 H new ATOM 0 H1' A A 8 2.619 8.189 -9.382 1.00 0.00 H new ATOM 0 H8 A A 8 1.589 10.362 -6.377 1.00 0.00 H new ATOM 0 H61 A A 8 7.659 11.246 -5.720 1.00 0.00 H new ATOM 0 H62 A A 8 6.066 11.592 -5.039 1.00 0.00 H new ATOM 0 H2 A A 8 6.981 8.732 -9.374 1.00 0.00 H new ATOM 258 P A A 9 -0.109 5.302 -10.136 1.00 0.00 P ATOM 259 OP1 A A 9 -0.784 5.130 -11.443 1.00 0.00 O ATOM 260 OP2 A A 9 -0.844 5.022 -8.883 1.00 0.00 O ATOM 261 O5' A A 9 1.237 4.413 -10.143 1.00 0.00 O ATOM 262 C5' A A 9 1.935 4.167 -8.920 1.00 0.00 C ATOM 263 C4' A A 9 3.354 4.738 -8.951 1.00 0.00 C ATOM 264 O4' A A 9 3.360 6.055 -8.379 1.00 0.00 O ATOM 265 C3' A A 9 4.318 3.896 -8.108 1.00 0.00 C ATOM 266 O3' A A 9 5.266 3.275 -8.975 1.00 0.00 O ATOM 267 C2' A A 9 5.107 4.907 -7.286 1.00 0.00 C ATOM 268 O2' A A 9 6.342 5.247 -7.926 1.00 0.00 O ATOM 269 C1' A A 9 4.185 6.100 -7.207 1.00 0.00 C ATOM 270 N9 A A 9 3.404 6.063 -5.949 1.00 0.00 N ATOM 271 C8 A A 9 2.414 5.222 -5.545 1.00 0.00 C ATOM 272 N7 A A 9 1.938 5.387 -4.357 1.00 0.00 N ATOM 273 C5 A A 9 2.693 6.468 -3.898 1.00 0.00 C ATOM 274 C6 A A 9 2.704 7.169 -2.689 1.00 0.00 C ATOM 275 N6 A A 9 1.897 6.880 -1.669 1.00 0.00 N ATOM 276 N1 A A 9 3.580 8.183 -2.570 1.00 0.00 N ATOM 277 C2 A A 9 4.396 8.488 -3.579 1.00 0.00 C ATOM 278 N3 A A 9 4.469 7.892 -4.763 1.00 0.00 N ATOM 279 C4 A A 9 3.584 6.883 -4.860 1.00 0.00 C ATOM 0 H5' A A 9 1.979 3.094 -8.736 1.00 0.00 H new ATOM 0 H5'' A A 9 1.383 4.610 -8.091 1.00 0.00 H new ATOM 0 H4' A A 9 3.671 4.744 -9.994 1.00 0.00 H new ATOM 0 H3' A A 9 3.788 3.150 -7.516 1.00 0.00 H new ATOM 0 H2' A A 9 5.387 4.525 -6.304 1.00 0.00 H new ATOM 0 HO2' A A 9 6.474 4.672 -8.708 1.00 0.00 H new ATOM 0 H1' A A 9 4.733 7.042 -7.184 1.00 0.00 H new ATOM 0 H8 A A 9 2.040 4.445 -6.195 1.00 0.00 H new ATOM 0 H61 A A 9 1.948 7.425 -0.808 1.00 0.00 H new ATOM 0 H62 A A 9 1.229 6.114 -1.749 1.00 0.00 H new ATOM 0 H2 A A 9 5.074 9.313 -3.415 1.00 0.00 H new ATOM 291 P G A 10 6.065 1.967 -8.480 1.00 0.00 P ATOM 292 OP1 G A 10 7.322 1.871 -9.255 1.00 0.00 O ATOM 293 OP2 G A 10 5.120 0.828 -8.462 1.00 0.00 O ATOM 294 O5' G A 10 6.438 2.340 -6.954 1.00 0.00 O ATOM 295 C5' G A 10 7.793 2.606 -6.577 1.00 0.00 C ATOM 296 C4' G A 10 7.900 3.130 -5.143 1.00 0.00 C ATOM 297 O4' G A 10 6.903 4.118 -4.859 1.00 0.00 O ATOM 298 C3' G A 10 7.662 2.027 -4.126 1.00 0.00 C ATOM 299 O3' G A 10 8.913 1.406 -3.817 1.00 0.00 O ATOM 300 C2' G A 10 7.194 2.799 -2.910 1.00 0.00 C ATOM 301 O2' G A 10 8.295 3.333 -2.165 1.00 0.00 O ATOM 302 C1' G A 10 6.358 3.904 -3.542 1.00 0.00 C ATOM 303 N9 G A 10 4.937 3.508 -3.606 1.00 0.00 N ATOM 304 C8 G A 10 4.259 2.872 -4.593 1.00 0.00 C ATOM 305 N7 G A 10 3.010 2.619 -4.394 1.00 0.00 N ATOM 306 C5 G A 10 2.811 3.146 -3.116 1.00 0.00 C ATOM 307 C6 G A 10 1.635 3.184 -2.321 1.00 0.00 C ATOM 308 O6 G A 10 0.517 2.752 -2.593 1.00 0.00 O ATOM 309 N1 G A 10 1.865 3.803 -1.100 1.00 0.00 N ATOM 310 C2 G A 10 3.075 4.324 -0.687 1.00 0.00 C ATOM 311 N2 G A 10 3.093 4.880 0.524 1.00 0.00 N ATOM 312 N3 G A 10 4.188 4.292 -1.429 1.00 0.00 N ATOM 313 C4 G A 10 3.988 3.693 -2.625 1.00 0.00 C ATOM 0 H5' G A 10 8.223 3.337 -7.262 1.00 0.00 H new ATOM 0 H5'' G A 10 8.381 1.694 -6.674 1.00 0.00 H new ATOM 0 H4' G A 10 8.906 3.543 -5.068 1.00 0.00 H new ATOM 0 H3' G A 10 6.968 1.257 -4.462 1.00 0.00 H new ATOM 0 H2' G A 10 6.648 2.191 -2.189 1.00 0.00 H new ATOM 0 HO2' G A 10 9.118 2.863 -2.415 1.00 0.00 H new ATOM 0 H1' G A 10 6.396 4.821 -2.954 1.00 0.00 H new ATOM 0 H8 G A 10 4.747 2.587 -5.513 1.00 0.00 H new ATOM 0 H1 G A 10 1.077 3.879 -0.457 1.00 0.00 H new ATOM 0 H21 G A 10 3.957 5.283 0.887 1.00 0.00 H new ATOM 0 H22 G A 10 2.243 4.902 1.087 1.00 0.00 H new ATOM 325 P A A 11 8.973 -0.163 -3.463 1.00 0.00 P ATOM 326 OP1 A A 11 10.393 -0.550 -3.313 1.00 0.00 O ATOM 327 OP2 A A 11 8.109 -0.887 -4.422 1.00 0.00 O ATOM 328 O5' A A 11 8.278 -0.225 -2.011 1.00 0.00 O ATOM 329 C5' A A 11 9.066 -0.073 -0.829 1.00 0.00 C ATOM 330 C4' A A 11 8.204 0.225 0.395 1.00 0.00 C ATOM 331 O4' A A 11 7.136 1.116 0.087 1.00 0.00 O ATOM 332 C3' A A 11 7.521 -1.026 0.908 1.00 0.00 C ATOM 333 O3' A A 11 8.399 -1.685 1.823 1.00 0.00 O ATOM 334 C2' A A 11 6.344 -0.467 1.688 1.00 0.00 C ATOM 335 O2' A A 11 6.700 -0.194 3.049 1.00 0.00 O ATOM 336 C1' A A 11 6.008 0.819 0.930 1.00 0.00 C ATOM 337 N9 A A 11 4.777 0.644 0.138 1.00 0.00 N ATOM 338 C8 A A 11 4.620 0.410 -1.189 1.00 0.00 C ATOM 339 N7 A A 11 3.415 0.273 -1.632 1.00 0.00 N ATOM 340 C5 A A 11 2.666 0.432 -0.461 1.00 0.00 C ATOM 341 C6 A A 11 1.290 0.404 -0.204 1.00 0.00 C ATOM 342 N6 A A 11 0.374 0.196 -1.150 1.00 0.00 N ATOM 343 N1 A A 11 0.894 0.598 1.067 1.00 0.00 N ATOM 344 C2 A A 11 1.794 0.808 2.030 1.00 0.00 C ATOM 345 N3 A A 11 3.115 0.856 1.898 1.00 0.00 N ATOM 346 C4 A A 11 3.487 0.658 0.618 1.00 0.00 C ATOM 0 H5' A A 11 9.784 0.734 -0.973 1.00 0.00 H new ATOM 0 H5'' A A 11 9.640 -0.983 -0.656 1.00 0.00 H new ATOM 0 H4' A A 11 8.889 0.651 1.127 1.00 0.00 H new ATOM 0 H3' A A 11 7.242 -1.730 0.124 1.00 0.00 H new ATOM 0 H2' A A 11 5.504 -1.159 1.750 1.00 0.00 H new ATOM 0 HO2' A A 11 7.464 -0.751 3.305 1.00 0.00 H new ATOM 0 H1' A A 11 5.823 1.644 1.618 1.00 0.00 H new ATOM 0 H8 A A 11 5.471 0.341 -1.850 1.00 0.00 H new ATOM 0 H61 A A 11 -0.617 0.186 -0.907 1.00 0.00 H new ATOM 0 H62 A A 11 0.664 0.047 -2.117 1.00 0.00 H new ATOM 0 H2 A A 11 1.405 0.955 3.027 1.00 0.00 H new ATOM 358 P A A 12 8.338 -3.285 2.001 1.00 0.00 P ATOM 359 OP1 A A 12 9.568 -3.720 2.697 1.00 0.00 O ATOM 360 OP2 A A 12 7.976 -3.883 0.697 1.00 0.00 O ATOM 361 O5' A A 12 7.096 -3.479 3.007 1.00 0.00 O ATOM 362 C5' A A 12 7.302 -3.432 4.420 1.00 0.00 C ATOM 363 C4' A A 12 6.020 -3.733 5.192 1.00 0.00 C ATOM 364 O4' A A 12 4.992 -2.783 4.902 1.00 0.00 O ATOM 365 C3' A A 12 5.435 -5.076 4.794 1.00 0.00 C ATOM 366 O3' A A 12 6.006 -6.091 5.620 1.00 0.00 O ATOM 367 C2' A A 12 3.974 -4.917 5.168 1.00 0.00 C ATOM 368 O2' A A 12 3.752 -5.204 6.553 1.00 0.00 O ATOM 369 C1' A A 12 3.714 -3.446 4.851 1.00 0.00 C ATOM 370 N9 A A 12 3.090 -3.308 3.524 1.00 0.00 N ATOM 371 C8 A A 12 3.667 -3.173 2.305 1.00 0.00 C ATOM 372 N7 A A 12 2.885 -3.100 1.279 1.00 0.00 N ATOM 373 C5 A A 12 1.625 -3.196 1.879 1.00 0.00 C ATOM 374 C6 A A 12 0.325 -3.187 1.362 1.00 0.00 C ATOM 375 N6 A A 12 0.055 -3.075 0.062 1.00 0.00 N ATOM 376 N1 A A 12 -0.689 -3.302 2.238 1.00 0.00 N ATOM 377 C2 A A 12 -0.445 -3.418 3.543 1.00 0.00 C ATOM 378 N3 A A 12 0.742 -3.438 4.140 1.00 0.00 N ATOM 379 C4 A A 12 1.742 -3.321 3.244 1.00 0.00 C ATOM 0 H5' A A 12 7.672 -2.446 4.700 1.00 0.00 H new ATOM 0 H5'' A A 12 8.071 -4.152 4.699 1.00 0.00 H new ATOM 0 H4' A A 12 6.307 -3.708 6.243 1.00 0.00 H new ATOM 0 H3' A A 12 5.606 -5.343 3.751 1.00 0.00 H new ATOM 0 H2' A A 12 3.312 -5.600 4.636 1.00 0.00 H new ATOM 0 HO2' A A 12 4.524 -5.687 6.915 1.00 0.00 H new ATOM 0 H1' A A 12 3.024 -3.000 5.567 1.00 0.00 H new ATOM 0 H8 A A 12 4.740 -3.128 2.195 1.00 0.00 H new ATOM 0 H61 A A 12 -0.913 -3.074 -0.260 1.00 0.00 H new ATOM 0 H62 A A 12 0.816 -2.990 -0.611 1.00 0.00 H new ATOM 0 H2 A A 12 -1.308 -3.505 4.187 1.00 0.00 H new ATOM 391 P C A 13 5.986 -7.629 5.140 1.00 0.00 P ATOM 392 OP1 C A 13 6.564 -8.459 6.221 1.00 0.00 O ATOM 393 OP2 C A 13 6.555 -7.695 3.775 1.00 0.00 O ATOM 394 O5' C A 13 4.410 -7.948 5.046 1.00 0.00 O ATOM 395 C5' C A 13 3.707 -8.457 6.181 1.00 0.00 C ATOM 396 C4' C A 13 2.270 -8.846 5.834 1.00 0.00 C ATOM 397 O4' C A 13 1.530 -7.736 5.334 1.00 0.00 O ATOM 398 C3' C A 13 2.229 -9.876 4.721 1.00 0.00 C ATOM 399 O3' C A 13 2.284 -11.181 5.302 1.00 0.00 O ATOM 400 C2' C A 13 0.845 -9.676 4.120 1.00 0.00 C ATOM 401 O2' C A 13 -0.129 -10.507 4.760 1.00 0.00 O ATOM 402 C1' C A 13 0.563 -8.192 4.373 1.00 0.00 C ATOM 403 N1 C A 13 0.659 -7.426 3.116 1.00 0.00 N ATOM 404 C2 C A 13 -0.518 -7.187 2.427 1.00 0.00 C ATOM 405 O2 C A 13 -1.586 -7.603 2.869 1.00 0.00 O ATOM 406 N3 C A 13 -0.451 -6.491 1.260 1.00 0.00 N ATOM 407 C4 C A 13 0.720 -6.047 0.790 1.00 0.00 C ATOM 408 N4 C A 13 0.746 -5.369 -0.357 1.00 0.00 N ATOM 409 C5 C A 13 1.938 -6.289 1.499 1.00 0.00 C ATOM 410 C6 C A 13 1.862 -6.979 2.654 1.00 0.00 C ATOM 0 H5' C A 13 3.699 -7.705 6.970 1.00 0.00 H new ATOM 0 H5'' C A 13 4.234 -9.327 6.574 1.00 0.00 H new ATOM 0 H4' C A 13 1.844 -9.229 6.761 1.00 0.00 H new ATOM 0 H3' C A 13 3.043 -9.777 4.002 1.00 0.00 H new ATOM 0 H2' C A 13 0.798 -9.945 3.065 1.00 0.00 H new ATOM 0 HO2' C A 13 0.314 -11.290 5.148 1.00 0.00 H new ATOM 0 H1' C A 13 -0.447 -8.047 4.755 1.00 0.00 H new ATOM 0 H41 C A 13 1.632 -5.025 -0.726 1.00 0.00 H new ATOM 0 H42 C A 13 -0.121 -5.194 -0.866 1.00 0.00 H new ATOM 0 H5 C A 13 2.885 -5.932 1.122 1.00 0.00 H new ATOM 0 H6 C A 13 2.761 -7.180 3.218 1.00 0.00 H new ATOM 422 P C A 14 3.182 -12.333 4.625 1.00 0.00 P ATOM 423 OP1 C A 14 3.389 -13.407 5.622 1.00 0.00 O ATOM 424 OP2 C A 14 4.348 -11.690 3.979 1.00 0.00 O ATOM 425 O5' C A 14 2.214 -12.899 3.469 1.00 0.00 O ATOM 426 C5' C A 14 1.318 -13.980 3.739 1.00 0.00 C ATOM 427 C4' C A 14 0.138 -13.990 2.770 1.00 0.00 C ATOM 428 O4' C A 14 -0.351 -12.674 2.529 1.00 0.00 O ATOM 429 C3' C A 14 0.552 -14.522 1.411 1.00 0.00 C ATOM 430 O3' C A 14 0.502 -15.953 1.367 1.00 0.00 O ATOM 431 C2' C A 14 -0.488 -13.899 0.492 1.00 0.00 C ATOM 432 O2' C A 14 -1.651 -14.728 0.385 1.00 0.00 O ATOM 433 C1' C A 14 -0.811 -12.570 1.175 1.00 0.00 C ATOM 434 N1 C A 14 -0.157 -11.448 0.477 1.00 0.00 N ATOM 435 C2 C A 14 -0.847 -10.854 -0.567 1.00 0.00 C ATOM 436 O2 C A 14 -1.963 -11.266 -0.881 1.00 0.00 O ATOM 437 N3 C A 14 -0.259 -9.817 -1.224 1.00 0.00 N ATOM 438 C4 C A 14 0.957 -9.381 -0.870 1.00 0.00 C ATOM 439 N4 C A 14 1.505 -8.363 -1.534 1.00 0.00 N ATOM 440 C5 C A 14 1.674 -9.991 0.209 1.00 0.00 C ATOM 441 C6 C A 14 1.083 -11.016 0.851 1.00 0.00 C ATOM 0 H5' C A 14 0.949 -13.900 4.761 1.00 0.00 H new ATOM 0 H5'' C A 14 1.856 -14.925 3.667 1.00 0.00 H new ATOM 0 H4' C A 14 -0.622 -14.617 3.236 1.00 0.00 H new ATOM 0 H3' C A 14 1.579 -14.275 1.141 1.00 0.00 H new ATOM 0 H2' C A 14 -0.132 -13.774 -0.531 1.00 0.00 H new ATOM 0 HO2' C A 14 -1.453 -15.617 0.747 1.00 0.00 H new ATOM 0 HO3' C A 14 0.773 -16.263 0.478 1.00 0.00 H new ATOM 0 H1' C A 14 -1.882 -12.371 1.148 1.00 0.00 H new ATOM 0 H41 C A 14 2.430 -8.023 -1.273 1.00 0.00 H new ATOM 0 H42 C A 14 0.999 -7.924 -2.303 1.00 0.00 H new ATOM 0 H5 C A 14 2.654 -9.641 0.498 1.00 0.00 H new ATOM 0 H6 C A 14 1.594 -11.501 1.669 1.00 0.00 H new TER 454 C A 14