USER MOD reduce.3.24.130724 H: found=0, std=0, add=164, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 164 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 Set 1.1: A 6 U O2' : rot 127:sc= 0.472 USER MOD Set 1.2: A 7 C O2' : rot 153:sc= -0.493 USER MOD Single : A 1 G O2' : rot -18:sc= 0.306 USER MOD Single : A 1 G O5' : rot 56:sc= -0.174 USER MOD Single : A 2 G O2' : rot -6:sc= -0.767 USER MOD Single : A 3 C O2' : rot -125:sc= 1.07 USER MOD Single : A 4 U O2' : rot -0:sc= -7.31! USER MOD Single : A 5 C O2' : rot 1:sc= -3.86! USER MOD Single : A 8 A O2' : rot 155:sc= 0.441 USER MOD Single : A 9 G O2' : rot -3:sc= 0.556 USER MOD Single : A 10 U O2' : rot 145:sc= 0.158 USER MOD Single : A 11 G O2' : rot -23:sc= 0.283 USER MOD Single : A 12 A O2' : rot -16:sc= 0.331 USER MOD Single : A 13 G O2' : rot -29:sc= 0.27 USER MOD Single : A 14 C O2' : rot 5:sc= -3.26! USER MOD Single : A 15 C O2' : rot -13:sc= 0.173 USER MOD Single : A 15 C O3' : rot 180:sc= 0.188 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -8.669 2.675 5.111 1.00 0.00 O ATOM 2 C5' G A 1 -9.906 2.436 5.790 1.00 0.00 C ATOM 3 C4' G A 1 -11.036 3.279 5.209 1.00 0.00 C ATOM 4 O4' G A 1 -11.134 4.549 5.878 1.00 0.00 O ATOM 5 C3' G A 1 -10.777 3.600 3.741 1.00 0.00 C ATOM 6 O3' G A 1 -11.523 2.681 2.940 1.00 0.00 O ATOM 7 C2' G A 1 -11.393 4.982 3.586 1.00 0.00 C ATOM 8 O2' G A 1 -12.808 4.905 3.379 1.00 0.00 O ATOM 9 C1' G A 1 -11.060 5.612 4.916 1.00 0.00 C ATOM 10 N9 G A 1 -9.717 6.231 4.888 1.00 0.00 N ATOM 11 C8 G A 1 -8.669 6.067 5.735 1.00 0.00 C ATOM 12 N7 G A 1 -7.590 6.728 5.489 1.00 0.00 N ATOM 13 C5 G A 1 -7.942 7.431 4.334 1.00 0.00 C ATOM 14 C6 G A 1 -7.178 8.344 3.562 1.00 0.00 C ATOM 15 O6 G A 1 -6.022 8.715 3.748 1.00 0.00 O ATOM 16 N1 G A 1 -7.901 8.828 2.480 1.00 0.00 N ATOM 17 C2 G A 1 -9.201 8.481 2.172 1.00 0.00 C ATOM 18 N2 G A 1 -9.721 9.056 1.087 1.00 0.00 N ATOM 19 N3 G A 1 -9.931 7.620 2.896 1.00 0.00 N ATOM 20 C4 G A 1 -9.244 7.134 3.958 1.00 0.00 C ATOM 0 H5' G A 1 -9.790 2.663 6.850 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.164 1.380 5.716 1.00 0.00 H new ATOM 0 H4' G A 1 -11.947 2.695 5.335 1.00 0.00 H new ATOM 0 H3' G A 1 -9.727 3.547 3.453 1.00 0.00 H new ATOM 0 H2' G A 1 -11.022 5.540 2.727 1.00 0.00 H new ATOM 0 HO2' G A 1 -13.049 3.997 3.098 1.00 0.00 H new ATOM 0 HO5' G A 1 -8.458 3.631 5.143 1.00 0.00 H new ATOM 0 H1' G A 1 -11.752 6.416 5.166 1.00 0.00 H new ATOM 0 H8 G A 1 -8.737 5.405 6.586 1.00 0.00 H new ATOM 0 H1 G A 1 -7.434 9.493 1.863 1.00 0.00 H new ATOM 0 H21 G A 1 -10.678 8.842 0.805 1.00 0.00 H new ATOM 0 H22 G A 1 -9.162 9.710 0.539 1.00 0.00 H new ATOM 33 P G A 2 -10.800 1.848 1.767 1.00 0.00 P ATOM 34 OP1 G A 2 -11.595 0.626 1.506 1.00 0.00 O ATOM 35 OP2 G A 2 -9.362 1.738 2.096 1.00 0.00 O ATOM 36 O5' G A 2 -10.953 2.827 0.499 1.00 0.00 O ATOM 37 C5' G A 2 -12.213 2.977 -0.160 1.00 0.00 C ATOM 38 C4' G A 2 -12.183 4.128 -1.159 1.00 0.00 C ATOM 39 O4' G A 2 -11.761 5.350 -0.536 1.00 0.00 O ATOM 40 C3' G A 2 -11.180 3.844 -2.269 1.00 0.00 C ATOM 41 O3' G A 2 -11.901 3.362 -3.405 1.00 0.00 O ATOM 42 C2' G A 2 -10.621 5.215 -2.602 1.00 0.00 C ATOM 43 O2' G A 2 -11.436 5.889 -3.567 1.00 0.00 O ATOM 44 C1' G A 2 -10.657 5.919 -1.256 1.00 0.00 C ATOM 45 N9 G A 2 -9.391 5.744 -0.509 1.00 0.00 N ATOM 46 C8 G A 2 -9.153 5.102 0.668 1.00 0.00 C ATOM 47 N7 G A 2 -7.947 5.123 1.125 1.00 0.00 N ATOM 48 C5 G A 2 -7.281 5.865 0.146 1.00 0.00 C ATOM 49 C6 G A 2 -5.915 6.245 0.067 1.00 0.00 C ATOM 50 O6 G A 2 -5.008 5.996 0.857 1.00 0.00 O ATOM 51 N1 G A 2 -5.658 6.988 -1.078 1.00 0.00 N ATOM 52 C2 G A 2 -6.596 7.327 -2.032 1.00 0.00 C ATOM 53 N2 G A 2 -6.154 8.046 -3.063 1.00 0.00 N ATOM 54 N3 G A 2 -7.884 6.974 -1.966 1.00 0.00 N ATOM 55 C4 G A 2 -8.158 6.249 -0.858 1.00 0.00 C ATOM 0 H5' G A 2 -12.994 3.155 0.580 1.00 0.00 H new ATOM 0 H5'' G A 2 -12.468 2.051 -0.676 1.00 0.00 H new ATOM 0 H4' G A 2 -13.196 4.226 -1.550 1.00 0.00 H new ATOM 0 H3' G A 2 -10.414 3.119 -1.994 1.00 0.00 H new ATOM 0 H2' G A 2 -9.627 5.183 -3.048 1.00 0.00 H new ATOM 0 HO2' G A 2 -12.139 5.283 -3.882 1.00 0.00 H new ATOM 0 H1' G A 2 -10.778 6.994 -1.388 1.00 0.00 H new ATOM 0 H8 G A 2 -9.944 4.594 1.199 1.00 0.00 H new ATOM 0 H1 G A 2 -4.701 7.308 -1.225 1.00 0.00 H new ATOM 0 H21 G A 2 -6.798 8.328 -3.802 1.00 0.00 H new ATOM 0 H22 G A 2 -5.171 8.314 -3.114 1.00 0.00 H new ATOM 67 P C A 3 -11.472 1.987 -4.123 1.00 0.00 P ATOM 68 OP1 C A 3 -12.582 1.559 -5.003 1.00 0.00 O ATOM 69 OP2 C A 3 -10.951 1.066 -3.088 1.00 0.00 O ATOM 70 O5' C A 3 -10.243 2.451 -5.051 1.00 0.00 O ATOM 71 C5' C A 3 -10.275 3.721 -5.706 1.00 0.00 C ATOM 72 C4' C A 3 -8.900 4.114 -6.236 1.00 0.00 C ATOM 73 O4' C A 3 -8.182 4.905 -5.296 1.00 0.00 O ATOM 74 C3' C A 3 -8.029 2.898 -6.468 1.00 0.00 C ATOM 75 O3' C A 3 -8.260 2.415 -7.793 1.00 0.00 O ATOM 76 C2' C A 3 -6.624 3.475 -6.403 1.00 0.00 C ATOM 77 O2' C A 3 -6.178 3.917 -7.691 1.00 0.00 O ATOM 78 C1' C A 3 -6.775 4.650 -5.433 1.00 0.00 C ATOM 79 N1 C A 3 -6.165 4.324 -4.134 1.00 0.00 N ATOM 80 C2 C A 3 -4.794 4.480 -4.025 1.00 0.00 C ATOM 81 O2 C A 3 -4.148 4.905 -4.980 1.00 0.00 O ATOM 82 N3 C A 3 -4.199 4.151 -2.846 1.00 0.00 N ATOM 83 C4 C A 3 -4.922 3.691 -1.817 1.00 0.00 C ATOM 84 N4 C A 3 -4.305 3.373 -0.675 1.00 0.00 N ATOM 85 C5 C A 3 -6.342 3.532 -1.927 1.00 0.00 C ATOM 86 C6 C A 3 -6.918 3.859 -3.098 1.00 0.00 C ATOM 0 H5' C A 3 -10.628 4.481 -5.009 1.00 0.00 H new ATOM 0 H5'' C A 3 -10.988 3.688 -6.530 1.00 0.00 H new ATOM 0 H4' C A 3 -9.093 4.660 -7.160 1.00 0.00 H new ATOM 0 H3' C A 3 -8.209 2.085 -5.765 1.00 0.00 H new ATOM 0 H2' C A 3 -5.880 2.747 -6.081 1.00 0.00 H new ATOM 0 HO2' C A 3 -5.324 3.488 -7.906 1.00 0.00 H new ATOM 0 H1' C A 3 -6.265 5.537 -5.810 1.00 0.00 H new ATOM 0 H41 C A 3 -4.845 3.022 0.116 1.00 0.00 H new ATOM 0 H42 C A 3 -3.294 3.482 -0.594 1.00 0.00 H new ATOM 0 H5 C A 3 -6.929 3.163 -1.099 1.00 0.00 H new ATOM 0 H6 C A 3 -7.986 3.752 -3.218 1.00 0.00 H new ATOM 98 P U A 4 -8.070 0.853 -8.136 1.00 0.00 P ATOM 99 OP1 U A 4 -8.645 0.600 -9.476 1.00 0.00 O ATOM 100 OP2 U A 4 -8.531 0.062 -6.974 1.00 0.00 O ATOM 101 O5' U A 4 -6.469 0.707 -8.241 1.00 0.00 O ATOM 102 C5' U A 4 -5.777 1.191 -9.393 1.00 0.00 C ATOM 103 C4' U A 4 -4.316 1.518 -9.087 1.00 0.00 C ATOM 104 O4' U A 4 -4.158 2.116 -7.802 1.00 0.00 O ATOM 105 C3' U A 4 -3.466 0.266 -9.018 1.00 0.00 C ATOM 106 O3' U A 4 -3.044 -0.080 -10.339 1.00 0.00 O ATOM 107 C2' U A 4 -2.255 0.740 -8.232 1.00 0.00 C ATOM 108 O2' U A 4 -1.257 1.301 -9.093 1.00 0.00 O ATOM 109 C1' U A 4 -2.847 1.802 -7.298 1.00 0.00 C ATOM 110 N1 U A 4 -2.901 1.292 -5.915 1.00 0.00 N ATOM 111 C2 U A 4 -1.748 1.393 -5.161 1.00 0.00 C ATOM 112 O2 U A 4 -0.728 1.924 -5.597 1.00 0.00 O ATOM 113 N3 U A 4 -1.806 0.864 -3.884 1.00 0.00 N ATOM 114 C4 U A 4 -2.903 0.253 -3.303 1.00 0.00 C ATOM 115 O4 U A 4 -2.841 -0.186 -2.157 1.00 0.00 O ATOM 116 C5 U A 4 -4.065 0.193 -4.159 1.00 0.00 C ATOM 117 C6 U A 4 -4.032 0.705 -5.415 1.00 0.00 C ATOM 0 H5' U A 4 -6.277 2.084 -9.768 1.00 0.00 H new ATOM 0 H5'' U A 4 -5.823 0.443 -10.185 1.00 0.00 H new ATOM 0 H4' U A 4 -4.010 2.187 -9.891 1.00 0.00 H new ATOM 0 H3' U A 4 -3.976 -0.594 -8.584 1.00 0.00 H new ATOM 0 H2' U A 4 -1.748 -0.066 -7.701 1.00 0.00 H new ATOM 0 HO2' U A 4 -1.565 1.257 -10.022 1.00 0.00 H new ATOM 0 H1' U A 4 -2.232 2.701 -7.274 1.00 0.00 H new ATOM 0 H3 U A 4 -0.960 0.931 -3.317 1.00 0.00 H new ATOM 0 H5 U A 4 -4.972 -0.266 -3.794 1.00 0.00 H new ATOM 0 H6 U A 4 -4.916 0.648 -6.033 1.00 0.00 H new ATOM 128 P C A 5 -2.232 -1.447 -10.601 1.00 0.00 P ATOM 129 OP1 C A 5 -1.691 -1.410 -11.979 1.00 0.00 O ATOM 130 OP2 C A 5 -3.080 -2.582 -10.172 1.00 0.00 O ATOM 131 O5' C A 5 -0.998 -1.323 -9.573 1.00 0.00 O ATOM 132 C5' C A 5 0.151 -0.542 -9.916 1.00 0.00 C ATOM 133 C4' C A 5 1.336 -0.854 -9.009 1.00 0.00 C ATOM 134 O4' C A 5 1.090 -0.470 -7.660 1.00 0.00 O ATOM 135 C3' C A 5 1.599 -2.343 -8.933 1.00 0.00 C ATOM 136 O3' C A 5 2.449 -2.716 -10.020 1.00 0.00 O ATOM 137 C2' C A 5 2.384 -2.477 -7.637 1.00 0.00 C ATOM 138 O2' C A 5 3.792 -2.342 -7.863 1.00 0.00 O ATOM 139 C1' C A 5 1.844 -1.326 -6.784 1.00 0.00 C ATOM 140 N1 C A 5 1.007 -1.839 -5.683 1.00 0.00 N ATOM 141 C2 C A 5 1.585 -1.907 -4.427 1.00 0.00 C ATOM 142 O2 C A 5 2.744 -1.535 -4.262 1.00 0.00 O ATOM 143 N3 C A 5 0.840 -2.392 -3.398 1.00 0.00 N ATOM 144 C4 C A 5 -0.422 -2.794 -3.593 1.00 0.00 C ATOM 145 N4 C A 5 -1.120 -3.263 -2.561 1.00 0.00 N ATOM 146 C5 C A 5 -1.026 -2.726 -4.889 1.00 0.00 C ATOM 147 C6 C A 5 -0.278 -2.244 -5.901 1.00 0.00 C ATOM 0 H5' C A 5 -0.094 0.518 -9.843 1.00 0.00 H new ATOM 0 H5'' C A 5 0.426 -0.735 -10.953 1.00 0.00 H new ATOM 0 H4' C A 5 2.172 -0.306 -9.443 1.00 0.00 H new ATOM 0 H3' C A 5 0.697 -2.954 -8.973 1.00 0.00 H new ATOM 0 H2' C A 5 2.265 -3.452 -7.165 1.00 0.00 H new ATOM 0 HO2' C A 5 3.956 -2.181 -8.816 1.00 0.00 H new ATOM 0 H1' C A 5 2.659 -0.770 -6.321 1.00 0.00 H new ATOM 0 H41 C A 5 -2.083 -3.573 -2.695 1.00 0.00 H new ATOM 0 H42 C A 5 -0.692 -3.313 -1.636 1.00 0.00 H new ATOM 0 H5 C A 5 -2.044 -3.049 -5.050 1.00 0.00 H new ATOM 0 H6 C A 5 -0.699 -2.178 -6.893 1.00 0.00 H new ATOM 159 P U A 6 2.548 -4.257 -10.478 1.00 0.00 P ATOM 160 OP1 U A 6 3.618 -4.368 -11.496 1.00 0.00 O ATOM 161 OP2 U A 6 1.182 -4.737 -10.786 1.00 0.00 O ATOM 162 O5' U A 6 3.052 -4.989 -9.135 1.00 0.00 O ATOM 163 C5' U A 6 4.406 -4.839 -8.698 1.00 0.00 C ATOM 164 C4' U A 6 4.626 -5.430 -7.309 1.00 0.00 C ATOM 165 O4' U A 6 3.539 -5.148 -6.432 1.00 0.00 O ATOM 166 C3' U A 6 4.694 -6.944 -7.356 1.00 0.00 C ATOM 167 O3' U A 6 6.043 -7.332 -7.624 1.00 0.00 O ATOM 168 C2' U A 6 4.350 -7.338 -5.930 1.00 0.00 C ATOM 169 O2' U A 6 5.521 -7.397 -5.108 1.00 0.00 O ATOM 170 C1' U A 6 3.406 -6.217 -5.480 1.00 0.00 C ATOM 171 N1 U A 6 2.016 -6.704 -5.417 1.00 0.00 N ATOM 172 C2 U A 6 1.635 -7.377 -4.272 1.00 0.00 C ATOM 173 O2 U A 6 2.407 -7.553 -3.332 1.00 0.00 O ATOM 174 N3 U A 6 0.333 -7.842 -4.244 1.00 0.00 N ATOM 175 C4 U A 6 -0.608 -7.695 -5.247 1.00 0.00 C ATOM 176 O4 U A 6 -1.742 -8.153 -5.115 1.00 0.00 O ATOM 177 C5 U A 6 -0.126 -6.976 -6.407 1.00 0.00 C ATOM 178 C6 U A 6 1.146 -6.511 -6.457 1.00 0.00 C ATOM 0 H5' U A 6 4.669 -3.781 -8.688 1.00 0.00 H new ATOM 0 H5'' U A 6 5.073 -5.326 -9.409 1.00 0.00 H new ATOM 0 H4' U A 6 5.556 -4.984 -6.957 1.00 0.00 H new ATOM 0 H3' U A 6 4.047 -7.394 -8.109 1.00 0.00 H new ATOM 0 H2' U A 6 3.903 -8.329 -5.856 1.00 0.00 H new ATOM 0 HO2' U A 6 5.386 -6.850 -4.306 1.00 0.00 H new ATOM 0 H1' U A 6 3.663 -5.869 -4.480 1.00 0.00 H new ATOM 0 H3 U A 6 0.039 -8.341 -3.404 1.00 0.00 H new ATOM 0 H5 U A 6 -0.788 -6.808 -7.243 1.00 0.00 H new ATOM 0 H6 U A 6 1.480 -5.978 -7.335 1.00 0.00 H new ATOM 189 P C A 7 6.401 -8.123 -8.980 1.00 0.00 P ATOM 190 OP1 C A 7 6.544 -7.133 -10.067 1.00 0.00 O ATOM 191 OP2 C A 7 5.448 -9.246 -9.123 1.00 0.00 O ATOM 192 O5' C A 7 7.856 -8.737 -8.662 1.00 0.00 O ATOM 193 C5' C A 7 9.031 -7.940 -8.836 1.00 0.00 C ATOM 194 C4' C A 7 9.755 -7.721 -7.512 1.00 0.00 C ATOM 195 O4' C A 7 10.429 -6.457 -7.495 1.00 0.00 O ATOM 196 C3' C A 7 8.764 -7.711 -6.347 1.00 0.00 C ATOM 197 O3' C A 7 9.323 -8.489 -5.284 1.00 0.00 O ATOM 198 C2' C A 7 8.716 -6.254 -5.904 1.00 0.00 C ATOM 199 O2' C A 7 8.507 -6.139 -4.490 1.00 0.00 O ATOM 200 C1' C A 7 10.086 -5.742 -6.307 1.00 0.00 C ATOM 201 N1 C A 7 10.057 -4.287 -6.550 1.00 0.00 N ATOM 202 C2 C A 7 9.665 -3.473 -5.500 1.00 0.00 C ATOM 203 O2 C A 7 9.364 -3.969 -4.416 1.00 0.00 O ATOM 204 N3 C A 7 9.626 -2.128 -5.705 1.00 0.00 N ATOM 205 C4 C A 7 9.958 -1.604 -6.892 1.00 0.00 C ATOM 206 N4 C A 7 9.907 -0.282 -7.060 1.00 0.00 N ATOM 207 C5 C A 7 10.363 -2.441 -7.979 1.00 0.00 C ATOM 208 C6 C A 7 10.398 -3.769 -7.766 1.00 0.00 C ATOM 0 H5' C A 7 8.759 -6.977 -9.267 1.00 0.00 H new ATOM 0 H5'' C A 7 9.702 -8.428 -9.543 1.00 0.00 H new ATOM 0 H4' C A 7 10.470 -8.537 -7.408 1.00 0.00 H new ATOM 0 H3' C A 7 7.783 -8.106 -6.612 1.00 0.00 H new ATOM 0 H2' C A 7 7.895 -5.693 -6.351 1.00 0.00 H new ATOM 0 HO2' C A 7 8.898 -5.300 -4.169 1.00 0.00 H new ATOM 0 H1' C A 7 10.822 -5.902 -5.519 1.00 0.00 H new ATOM 0 H41 C A 7 10.158 0.128 -7.960 1.00 0.00 H new ATOM 0 H42 C A 7 9.617 0.319 -6.289 1.00 0.00 H new ATOM 0 H5 C A 7 10.631 -2.022 -8.937 1.00 0.00 H new ATOM 0 H6 C A 7 10.699 -4.431 -8.564 1.00 0.00 H new ATOM 220 P A A 8 9.240 -10.097 -5.317 1.00 0.00 P ATOM 221 OP1 A A 8 10.212 -10.630 -4.337 1.00 0.00 O ATOM 222 OP2 A A 8 9.301 -10.536 -6.730 1.00 0.00 O ATOM 223 O5' A A 8 7.756 -10.391 -4.763 1.00 0.00 O ATOM 224 C5' A A 8 7.550 -11.328 -3.701 1.00 0.00 C ATOM 225 C4' A A 8 6.299 -10.986 -2.892 1.00 0.00 C ATOM 226 O4' A A 8 5.320 -10.331 -3.710 1.00 0.00 O ATOM 227 C3' A A 8 5.626 -12.242 -2.334 1.00 0.00 C ATOM 228 O3' A A 8 5.077 -11.922 -1.056 1.00 0.00 O ATOM 229 C2' A A 8 4.467 -12.504 -3.281 1.00 0.00 C ATOM 230 O2' A A 8 3.362 -13.106 -2.598 1.00 0.00 O ATOM 231 C1' A A 8 4.114 -11.109 -3.776 1.00 0.00 C ATOM 232 N9 A A 8 3.586 -11.168 -5.151 1.00 0.00 N ATOM 233 C8 A A 8 4.179 -10.852 -6.328 1.00 0.00 C ATOM 234 N7 A A 8 3.484 -11.007 -7.406 1.00 0.00 N ATOM 235 C5 A A 8 2.272 -11.486 -6.891 1.00 0.00 C ATOM 236 C6 A A 8 1.068 -11.867 -7.494 1.00 0.00 C ATOM 237 N6 A A 8 0.865 -11.825 -8.810 1.00 0.00 N ATOM 238 N1 A A 8 0.078 -12.292 -6.686 1.00 0.00 N ATOM 239 C2 A A 8 0.261 -12.340 -5.365 1.00 0.00 C ATOM 240 N3 A A 8 1.356 -12.006 -4.694 1.00 0.00 N ATOM 241 C4 A A 8 2.331 -11.585 -5.522 1.00 0.00 C ATOM 0 H5' A A 8 8.420 -11.333 -3.044 1.00 0.00 H new ATOM 0 H5'' A A 8 7.456 -12.333 -4.113 1.00 0.00 H new ATOM 0 H4' A A 8 6.634 -10.338 -2.082 1.00 0.00 H new ATOM 0 H3' A A 8 6.310 -13.086 -2.245 1.00 0.00 H new ATOM 0 H2' A A 8 4.717 -13.197 -4.084 1.00 0.00 H new ATOM 0 HO2' A A 8 2.531 -12.901 -3.076 1.00 0.00 H new ATOM 0 H1' A A 8 3.335 -10.656 -3.163 1.00 0.00 H new ATOM 0 H8 A A 8 5.194 -10.485 -6.363 1.00 0.00 H new ATOM 0 H61 A A 8 -0.033 -12.115 -9.197 1.00 0.00 H new ATOM 0 H62 A A 8 1.608 -11.503 -9.431 1.00 0.00 H new ATOM 0 H2 A A 8 -0.575 -12.689 -4.777 1.00 0.00 H new ATOM 253 P G A 9 6.033 -11.738 0.224 1.00 0.00 P ATOM 254 OP1 G A 9 6.667 -10.403 0.139 1.00 0.00 O ATOM 255 OP2 G A 9 6.874 -12.950 0.353 1.00 0.00 O ATOM 256 O5' G A 9 4.980 -11.720 1.439 1.00 0.00 O ATOM 257 C5' G A 9 4.424 -10.486 1.898 1.00 0.00 C ATOM 258 C4' G A 9 5.238 -9.916 3.064 1.00 0.00 C ATOM 259 O4' G A 9 6.626 -9.891 2.712 1.00 0.00 O ATOM 260 C3' G A 9 4.840 -8.471 3.399 1.00 0.00 C ATOM 261 O3' G A 9 4.233 -8.480 4.693 1.00 0.00 O ATOM 262 C2' G A 9 6.172 -7.724 3.556 1.00 0.00 C ATOM 263 O2' G A 9 6.563 -7.653 4.933 1.00 0.00 O ATOM 264 C1' G A 9 7.146 -8.558 2.757 1.00 0.00 C ATOM 265 N9 G A 9 7.330 -7.979 1.413 1.00 0.00 N ATOM 266 C8 G A 9 8.424 -7.382 0.894 1.00 0.00 C ATOM 267 N7 G A 9 8.343 -6.909 -0.302 1.00 0.00 N ATOM 268 C5 G A 9 7.026 -7.223 -0.644 1.00 0.00 C ATOM 269 C6 G A 9 6.314 -6.965 -1.846 1.00 0.00 C ATOM 270 O6 G A 9 6.713 -6.400 -2.861 1.00 0.00 O ATOM 271 N1 G A 9 5.013 -7.443 -1.780 1.00 0.00 N ATOM 272 C2 G A 9 4.459 -8.091 -0.696 1.00 0.00 C ATOM 273 N2 G A 9 3.189 -8.476 -0.828 1.00 0.00 N ATOM 274 N3 G A 9 5.121 -8.339 0.443 1.00 0.00 N ATOM 275 C4 G A 9 6.394 -7.881 0.403 1.00 0.00 C ATOM 0 H5' G A 9 3.392 -10.643 2.213 1.00 0.00 H new ATOM 0 H5'' G A 9 4.402 -9.766 1.080 1.00 0.00 H new ATOM 0 H4' G A 9 5.043 -10.556 3.925 1.00 0.00 H new ATOM 0 H3' G A 9 4.176 -8.035 2.652 1.00 0.00 H new ATOM 0 H2' G A 9 6.120 -6.691 3.212 1.00 0.00 H new ATOM 0 HO2' G A 9 5.864 -8.052 5.492 1.00 0.00 H new ATOM 0 H1' G A 9 8.133 -8.573 3.219 1.00 0.00 H new ATOM 0 H8 G A 9 9.338 -7.303 1.463 1.00 0.00 H new ATOM 0 H1 G A 9 4.420 -7.304 -2.598 1.00 0.00 H new ATOM 0 H21 G A 9 2.721 -8.960 -0.062 1.00 0.00 H new ATOM 0 H22 G A 9 2.686 -8.286 -1.695 1.00 0.00 H new ATOM 287 P U A 10 2.688 -8.897 4.865 1.00 0.00 P ATOM 288 OP1 U A 10 2.604 -9.958 5.892 1.00 0.00 O ATOM 289 OP2 U A 10 2.117 -9.127 3.519 1.00 0.00 O ATOM 290 O5' U A 10 2.029 -7.557 5.470 1.00 0.00 O ATOM 291 C5' U A 10 0.616 -7.345 5.394 1.00 0.00 C ATOM 292 C4' U A 10 0.281 -5.881 5.125 1.00 0.00 C ATOM 293 O4' U A 10 -1.122 -5.706 4.895 1.00 0.00 O ATOM 294 C3' U A 10 0.626 -5.013 6.328 1.00 0.00 C ATOM 295 O3' U A 10 0.963 -3.706 5.851 1.00 0.00 O ATOM 296 C2' U A 10 -0.689 -4.918 7.088 1.00 0.00 C ATOM 297 O2' U A 10 -0.776 -3.697 7.831 1.00 0.00 O ATOM 298 C1' U A 10 -1.720 -4.962 5.967 1.00 0.00 C ATOM 299 N1 U A 10 -2.966 -5.606 6.417 1.00 0.00 N ATOM 300 C2 U A 10 -3.910 -4.808 7.033 1.00 0.00 C ATOM 301 O2 U A 10 -3.729 -3.606 7.220 1.00 0.00 O ATOM 302 N3 U A 10 -5.074 -5.441 7.430 1.00 0.00 N ATOM 303 C4 U A 10 -5.371 -6.783 7.266 1.00 0.00 C ATOM 304 O4 U A 10 -6.443 -7.240 7.657 1.00 0.00 O ATOM 305 C5 U A 10 -4.326 -7.541 6.614 1.00 0.00 C ATOM 306 C6 U A 10 -3.177 -6.943 6.217 1.00 0.00 C ATOM 0 H5' U A 10 0.150 -7.660 6.328 1.00 0.00 H new ATOM 0 H5'' U A 10 0.196 -7.966 4.603 1.00 0.00 H new ATOM 0 H4' U A 10 0.861 -5.590 4.249 1.00 0.00 H new ATOM 0 H3' U A 10 1.448 -5.403 6.928 1.00 0.00 H new ATOM 0 H2' U A 10 -0.820 -5.706 7.829 1.00 0.00 H new ATOM 0 HO2' U A 10 -1.704 -3.382 7.835 1.00 0.00 H new ATOM 0 H1' U A 10 -1.989 -3.955 5.647 1.00 0.00 H new ATOM 0 H3 U A 10 -5.780 -4.864 7.887 1.00 0.00 H new ATOM 0 H5 U A 10 -4.463 -8.598 6.441 1.00 0.00 H new ATOM 0 H6 U A 10 -2.413 -7.533 5.733 1.00 0.00 H new ATOM 317 P G A 11 1.963 -2.763 6.688 1.00 0.00 P ATOM 318 OP1 G A 11 2.279 -3.441 7.965 1.00 0.00 O ATOM 319 OP2 G A 11 1.408 -1.391 6.698 1.00 0.00 O ATOM 320 O5' G A 11 3.291 -2.761 5.778 1.00 0.00 O ATOM 321 C5' G A 11 4.392 -3.612 6.104 1.00 0.00 C ATOM 322 C4' G A 11 5.570 -3.393 5.160 1.00 0.00 C ATOM 323 O4' G A 11 5.674 -4.462 4.207 1.00 0.00 O ATOM 324 C3' G A 11 5.392 -2.114 4.347 1.00 0.00 C ATOM 325 O3' G A 11 6.186 -1.086 4.942 1.00 0.00 O ATOM 326 C2' G A 11 5.992 -2.471 3.001 1.00 0.00 C ATOM 327 O2' G A 11 7.413 -2.294 2.993 1.00 0.00 O ATOM 328 C1' G A 11 5.609 -3.935 2.876 1.00 0.00 C ATOM 329 N9 G A 11 4.253 -4.077 2.315 1.00 0.00 N ATOM 330 C8 G A 11 3.127 -4.565 2.891 1.00 0.00 C ATOM 331 N7 G A 11 2.046 -4.568 2.186 1.00 0.00 N ATOM 332 C5 G A 11 2.489 -4.013 0.981 1.00 0.00 C ATOM 333 C6 G A 11 1.771 -3.744 -0.215 1.00 0.00 C ATOM 334 O6 G A 11 0.582 -3.945 -0.453 1.00 0.00 O ATOM 335 N1 G A 11 2.590 -3.184 -1.186 1.00 0.00 N ATOM 336 C2 G A 11 3.935 -2.912 -1.032 1.00 0.00 C ATOM 337 N2 G A 11 4.551 -2.373 -2.083 1.00 0.00 N ATOM 338 N3 G A 11 4.619 -3.162 0.091 1.00 0.00 N ATOM 339 C4 G A 11 3.841 -3.709 1.052 1.00 0.00 C ATOM 0 H5' G A 11 4.074 -4.654 6.055 1.00 0.00 H new ATOM 0 H5'' G A 11 4.707 -3.423 7.130 1.00 0.00 H new ATOM 0 H4' G A 11 6.459 -3.339 5.789 1.00 0.00 H new ATOM 0 H3' G A 11 4.359 -1.772 4.287 1.00 0.00 H new ATOM 0 H2' G A 11 5.638 -1.849 2.179 1.00 0.00 H new ATOM 0 HO2' G A 11 7.667 -1.653 3.690 1.00 0.00 H new ATOM 0 H1' G A 11 6.276 -4.471 2.200 1.00 0.00 H new ATOM 0 H8 G A 11 3.134 -4.938 3.904 1.00 0.00 H new ATOM 0 H1 G A 11 2.165 -2.955 -2.084 1.00 0.00 H new ATOM 0 H21 G A 11 5.545 -2.149 -2.032 1.00 0.00 H new ATOM 0 H22 G A 11 4.029 -2.185 -2.939 1.00 0.00 H new ATOM 351 P A A 12 5.556 0.367 5.226 1.00 0.00 P ATOM 352 OP1 A A 12 6.493 1.118 6.090 1.00 0.00 O ATOM 353 OP2 A A 12 4.147 0.188 5.646 1.00 0.00 O ATOM 354 O5' A A 12 5.563 1.044 3.766 1.00 0.00 O ATOM 355 C5' A A 12 6.748 1.668 3.271 1.00 0.00 C ATOM 356 C4' A A 12 6.732 1.787 1.750 1.00 0.00 C ATOM 357 O4' A A 12 6.167 0.631 1.134 1.00 0.00 O ATOM 358 C3' A A 12 5.851 2.930 1.289 1.00 0.00 C ATOM 359 O3' A A 12 6.616 4.137 1.286 1.00 0.00 O ATOM 360 C2' A A 12 5.559 2.540 -0.153 1.00 0.00 C ATOM 361 O2' A A 12 6.606 2.967 -1.033 1.00 0.00 O ATOM 362 C1' A A 12 5.485 1.018 -0.073 1.00 0.00 C ATOM 363 N9 A A 12 4.080 0.576 -0.069 1.00 0.00 N ATOM 364 C8 A A 12 3.401 -0.172 0.834 1.00 0.00 C ATOM 365 N7 A A 12 2.158 -0.426 0.584 1.00 0.00 N ATOM 366 C5 A A 12 1.976 0.236 -0.636 1.00 0.00 C ATOM 367 C6 A A 12 0.871 0.381 -1.487 1.00 0.00 C ATOM 368 N6 A A 12 -0.322 -0.158 -1.231 1.00 0.00 N ATOM 369 N1 A A 12 1.043 1.101 -2.610 1.00 0.00 N ATOM 370 C2 A A 12 2.230 1.647 -2.887 1.00 0.00 C ATOM 371 N3 A A 12 3.337 1.572 -2.158 1.00 0.00 N ATOM 372 C4 A A 12 3.141 0.848 -1.038 1.00 0.00 C ATOM 0 H5' A A 12 7.619 1.091 3.581 1.00 0.00 H new ATOM 0 H5'' A A 12 6.848 2.660 3.712 1.00 0.00 H new ATOM 0 H4' A A 12 7.775 1.931 1.469 1.00 0.00 H new ATOM 0 H3' A A 12 4.967 3.089 1.906 1.00 0.00 H new ATOM 0 H2' A A 12 4.654 2.999 -0.552 1.00 0.00 H new ATOM 0 HO2' A A 12 7.162 3.634 -0.580 1.00 0.00 H new ATOM 0 H1' A A 12 5.957 0.549 -0.936 1.00 0.00 H new ATOM 0 H8 A A 12 3.880 -0.542 1.729 1.00 0.00 H new ATOM 0 H61 A A 12 -1.094 -0.022 -1.884 1.00 0.00 H new ATOM 0 H62 A A 12 -0.462 -0.706 -0.382 1.00 0.00 H new ATOM 0 H2 A A 12 2.297 2.212 -3.805 1.00 0.00 H new ATOM 384 P G A 13 5.921 5.537 1.678 1.00 0.00 P ATOM 385 OP1 G A 13 6.987 6.499 2.039 1.00 0.00 O ATOM 386 OP2 G A 13 4.826 5.259 2.634 1.00 0.00 O ATOM 387 O5' G A 13 5.265 6.011 0.286 1.00 0.00 O ATOM 388 C5' G A 13 5.993 6.860 -0.604 1.00 0.00 C ATOM 389 C4' G A 13 5.260 7.055 -1.930 1.00 0.00 C ATOM 390 O4' G A 13 4.756 5.813 -2.437 1.00 0.00 O ATOM 391 C3' G A 13 4.044 7.954 -1.761 1.00 0.00 C ATOM 392 O3' G A 13 4.423 9.299 -2.061 1.00 0.00 O ATOM 393 C2' G A 13 3.113 7.463 -2.851 1.00 0.00 C ATOM 394 O2' G A 13 3.425 8.050 -4.119 1.00 0.00 O ATOM 395 C1' G A 13 3.386 5.969 -2.842 1.00 0.00 C ATOM 396 N9 G A 13 2.472 5.295 -1.904 1.00 0.00 N ATOM 397 C8 G A 13 2.701 4.836 -0.651 1.00 0.00 C ATOM 398 N7 G A 13 1.704 4.328 -0.007 1.00 0.00 N ATOM 399 C5 G A 13 0.670 4.457 -0.938 1.00 0.00 C ATOM 400 C6 G A 13 -0.697 4.082 -0.839 1.00 0.00 C ATOM 401 O6 G A 13 -1.277 3.557 0.107 1.00 0.00 O ATOM 402 N1 G A 13 -1.394 4.388 -2.002 1.00 0.00 N ATOM 403 C2 G A 13 -0.848 4.980 -3.124 1.00 0.00 C ATOM 404 N2 G A 13 -1.678 5.192 -4.141 1.00 0.00 N ATOM 405 N3 G A 13 0.436 5.334 -3.225 1.00 0.00 N ATOM 406 C4 G A 13 1.134 5.046 -2.104 1.00 0.00 C ATOM 0 H5' G A 13 6.977 6.430 -0.793 1.00 0.00 H new ATOM 0 H5'' G A 13 6.154 7.829 -0.132 1.00 0.00 H new ATOM 0 H4' G A 13 5.990 7.494 -2.610 1.00 0.00 H new ATOM 0 H3' G A 13 3.611 7.929 -0.761 1.00 0.00 H new ATOM 0 H2' G A 13 2.067 7.721 -2.685 1.00 0.00 H new ATOM 0 HO2' G A 13 3.824 8.934 -3.981 1.00 0.00 H new ATOM 0 H1' G A 13 3.222 5.521 -3.822 1.00 0.00 H new ATOM 0 H8 G A 13 3.683 4.893 -0.206 1.00 0.00 H new ATOM 0 H1 G A 13 -2.387 4.157 -2.029 1.00 0.00 H new ATOM 0 H21 G A 13 -1.334 5.626 -4.998 1.00 0.00 H new ATOM 0 H22 G A 13 -2.658 4.921 -4.064 1.00 0.00 H new ATOM 418 P C A 14 3.825 10.522 -1.202 1.00 0.00 P ATOM 419 OP1 C A 14 4.599 11.740 -1.530 1.00 0.00 O ATOM 420 OP2 C A 14 3.704 10.082 0.207 1.00 0.00 O ATOM 421 O5' C A 14 2.342 10.689 -1.809 1.00 0.00 O ATOM 422 C5' C A 14 2.117 11.531 -2.942 1.00 0.00 C ATOM 423 C4' C A 14 0.757 11.268 -3.584 1.00 0.00 C ATOM 424 O4' C A 14 0.445 9.875 -3.603 1.00 0.00 O ATOM 425 C3' C A 14 -0.363 11.910 -2.789 1.00 0.00 C ATOM 426 O3' C A 14 -0.553 13.246 -3.261 1.00 0.00 O ATOM 427 C2' C A 14 -1.569 11.082 -3.193 1.00 0.00 C ATOM 428 O2' C A 14 -2.153 11.567 -4.407 1.00 0.00 O ATOM 429 C1' C A 14 -0.966 9.690 -3.381 1.00 0.00 C ATOM 430 N1 C A 14 -1.216 8.857 -2.191 1.00 0.00 N ATOM 431 C2 C A 14 -2.501 8.366 -2.022 1.00 0.00 C ATOM 432 O2 C A 14 -3.364 8.601 -2.864 1.00 0.00 O ATOM 433 N3 C A 14 -2.768 7.624 -0.914 1.00 0.00 N ATOM 434 C4 C A 14 -1.815 7.374 -0.008 1.00 0.00 C ATOM 435 N4 C A 14 -2.112 6.647 1.069 1.00 0.00 N ATOM 436 C5 C A 14 -0.486 7.877 -0.179 1.00 0.00 C ATOM 437 C6 C A 14 -0.231 8.611 -1.280 1.00 0.00 C ATOM 0 H5' C A 14 2.904 11.367 -3.678 1.00 0.00 H new ATOM 0 H5'' C A 14 2.179 12.575 -2.636 1.00 0.00 H new ATOM 0 H4' C A 14 0.829 11.679 -4.591 1.00 0.00 H new ATOM 0 H3' C A 14 -0.182 11.943 -1.715 1.00 0.00 H new ATOM 0 H2' C A 14 -2.378 11.109 -2.463 1.00 0.00 H new ATOM 0 HO2' C A 14 -1.597 12.287 -4.773 1.00 0.00 H new ATOM 0 H1' C A 14 -1.419 9.173 -4.227 1.00 0.00 H new ATOM 0 H41 C A 14 -1.393 6.450 1.766 1.00 0.00 H new ATOM 0 H42 C A 14 -3.058 6.287 1.196 1.00 0.00 H new ATOM 0 H5 C A 14 0.286 7.675 0.549 1.00 0.00 H new ATOM 0 H6 C A 14 0.760 9.007 -1.442 1.00 0.00 H new ATOM 449 P C A 15 -1.481 14.277 -2.441 1.00 0.00 P ATOM 450 OP1 C A 15 -1.380 15.604 -3.087 1.00 0.00 O ATOM 451 OP2 C A 15 -1.172 14.134 -1.000 1.00 0.00 O ATOM 452 O5' C A 15 -2.962 13.701 -2.700 1.00 0.00 O ATOM 453 C5' C A 15 -3.604 13.891 -3.964 1.00 0.00 C ATOM 454 C4' C A 15 -5.125 13.830 -3.841 1.00 0.00 C ATOM 455 O4' C A 15 -5.561 12.517 -3.469 1.00 0.00 O ATOM 456 C3' C A 15 -5.625 14.770 -2.754 1.00 0.00 C ATOM 457 O3' C A 15 -5.926 16.068 -3.282 1.00 0.00 O ATOM 458 C2' C A 15 -6.877 14.066 -2.259 1.00 0.00 C ATOM 459 O2' C A 15 -8.017 14.397 -3.061 1.00 0.00 O ATOM 460 C1' C A 15 -6.510 12.595 -2.396 1.00 0.00 C ATOM 461 N1 C A 15 -5.932 12.067 -1.145 1.00 0.00 N ATOM 462 C2 C A 15 -6.762 11.320 -0.321 1.00 0.00 C ATOM 463 O2 C A 15 -7.940 11.135 -0.627 1.00 0.00 O ATOM 464 N3 C A 15 -6.237 10.804 0.825 1.00 0.00 N ATOM 465 C4 C A 15 -4.954 11.015 1.148 1.00 0.00 C ATOM 466 N4 C A 15 -4.469 10.492 2.273 1.00 0.00 N ATOM 467 C5 C A 15 -4.097 11.785 0.303 1.00 0.00 C ATOM 468 C6 C A 15 -4.624 12.291 -0.828 1.00 0.00 C ATOM 0 H5' C A 15 -3.265 13.126 -4.663 1.00 0.00 H new ATOM 0 H5'' C A 15 -3.311 14.855 -4.379 1.00 0.00 H new ATOM 0 H4' C A 15 -5.521 14.112 -4.816 1.00 0.00 H new ATOM 0 H3' C A 15 -4.892 14.952 -1.968 1.00 0.00 H new ATOM 0 H2' C A 15 -7.157 14.349 -1.244 1.00 0.00 H new ATOM 0 HO2' C A 15 -7.803 15.164 -3.632 1.00 0.00 H new ATOM 0 HO3' C A 15 -6.246 16.648 -2.560 1.00 0.00 H new ATOM 0 H1' C A 15 -7.394 11.992 -2.603 1.00 0.00 H new ATOM 0 H41 C A 15 -3.494 10.647 2.528 1.00 0.00 H new ATOM 0 H42 C A 15 -5.073 9.937 2.879 1.00 0.00 H new ATOM 0 H5 C A 15 -3.063 11.955 0.562 1.00 0.00 H new ATOM 0 H6 C A 15 -4.006 12.879 -1.490 1.00 0.00 H new TER 481 C A 15