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 Single : A 1 G O2' : rot -15:sc= 0.352 USER MOD Single : A 1 G O5' : rot 50:sc= -0.149 USER MOD Single : A 2 G O2' : rot 6:sc= -2.38! USER MOD Single : A 3 C O2' : rot 3:sc= -2.14! USER MOD Single : A 4 U O2' : rot 2:sc= -7.51! USER MOD Single : A 5 C O2' : rot 2:sc= -7.06! USER MOD Single : A 6 U O2' : rot 108:sc= 0.221 USER MOD Single : A 7 C O2' : rot 21:sc= 0.39 USER MOD Single : A 8 A O2' : rot 16:sc= 0.238 USER MOD Single : A 9 G O2' : rot -14:sc= 0.554 USER MOD Single : A 10 U O2' : rot -26:sc= 0.828 USER MOD Single : A 11 G O2' : rot -21:sc= 0.288 USER MOD Single : A 12 A O2' : rot -24:sc= 0.293 USER MOD Single : A 13 G O2' : rot -19:sc= 0.286 USER MOD Single : A 14 C O2' : rot 4:sc= -0.0127 USER MOD Single : A 15 C O2' : rot -23:sc= 0.173 USER MOD Single : A 15 C O3' : rot 180:sc= 0.184 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -9.099 2.565 5.567 1.00 0.00 O ATOM 2 C5' G A 1 -10.411 2.331 6.084 1.00 0.00 C ATOM 3 C4' G A 1 -11.457 3.169 5.357 1.00 0.00 C ATOM 4 O4' G A 1 -11.455 4.523 5.826 1.00 0.00 O ATOM 5 C3' G A 1 -11.159 3.236 3.865 1.00 0.00 C ATOM 6 O3' G A 1 -11.973 2.266 3.202 1.00 0.00 O ATOM 7 C2' G A 1 -11.659 4.621 3.476 1.00 0.00 C ATOM 8 O2' G A 1 -13.062 4.608 3.190 1.00 0.00 O ATOM 9 C1' G A 1 -11.355 5.430 4.717 1.00 0.00 C ATOM 10 N9 G A 1 -10.013 6.044 4.642 1.00 0.00 N ATOM 11 C8 G A 1 -9.001 6.032 5.546 1.00 0.00 C ATOM 12 N7 G A 1 -7.926 6.681 5.251 1.00 0.00 N ATOM 13 C5 G A 1 -8.242 7.199 3.992 1.00 0.00 C ATOM 14 C6 G A 1 -7.466 8.012 3.125 1.00 0.00 C ATOM 15 O6 G A 1 -6.329 8.445 3.300 1.00 0.00 O ATOM 16 N1 G A 1 -8.153 8.311 1.955 1.00 0.00 N ATOM 17 C2 G A 1 -9.429 7.883 1.651 1.00 0.00 C ATOM 18 N2 G A 1 -9.918 8.277 0.475 1.00 0.00 N ATOM 19 N3 G A 1 -10.167 7.117 2.463 1.00 0.00 N ATOM 20 C4 G A 1 -9.518 6.812 3.610 1.00 0.00 C ATOM 0 H5' G A 1 -10.431 2.566 7.148 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.658 1.274 5.986 1.00 0.00 H new ATOM 0 H4' G A 1 -12.418 2.691 5.548 1.00 0.00 H new ATOM 0 H3' G A 1 -10.113 3.057 3.616 1.00 0.00 H new ATOM 0 H2' G A 1 -11.195 5.016 2.573 1.00 0.00 H new ATOM 0 HO2' G A 1 -13.361 3.684 3.062 1.00 0.00 H new ATOM 0 HO5' G A 1 -8.933 3.530 5.522 1.00 0.00 H new ATOM 0 H1' G A 1 -12.057 6.257 4.826 1.00 0.00 H new ATOM 0 H8 G A 1 -9.092 5.498 6.480 1.00 0.00 H new ATOM 0 H1 G A 1 -7.676 8.893 1.266 1.00 0.00 H new ATOM 0 H21 G A 1 -10.856 7.994 0.192 1.00 0.00 H new ATOM 0 H22 G A 1 -9.354 8.862 -0.142 1.00 0.00 H new ATOM 33 P G A 2 -11.322 1.227 2.159 1.00 0.00 P ATOM 34 OP1 G A 2 -12.285 0.123 1.944 1.00 0.00 O ATOM 35 OP2 G A 2 -9.942 0.928 2.601 1.00 0.00 O ATOM 36 O5' G A 2 -11.241 2.093 0.806 1.00 0.00 O ATOM 37 C5' G A 2 -12.378 2.199 -0.055 1.00 0.00 C ATOM 38 C4' G A 2 -12.144 3.211 -1.170 1.00 0.00 C ATOM 39 O4' G A 2 -11.729 4.477 -0.641 1.00 0.00 O ATOM 40 C3' G A 2 -11.031 2.749 -2.098 1.00 0.00 C ATOM 41 O3' G A 2 -11.631 2.139 -3.244 1.00 0.00 O ATOM 42 C2' G A 2 -10.369 4.043 -2.540 1.00 0.00 C ATOM 43 O2' G A 2 -10.986 4.566 -3.723 1.00 0.00 O ATOM 44 C1' G A 2 -10.580 4.967 -1.350 1.00 0.00 C ATOM 45 N9 G A 2 -9.388 5.006 -0.477 1.00 0.00 N ATOM 46 C8 G A 2 -9.189 4.476 0.760 1.00 0.00 C ATOM 47 N7 G A 2 -8.035 4.658 1.309 1.00 0.00 N ATOM 48 C5 G A 2 -7.367 5.405 0.334 1.00 0.00 C ATOM 49 C6 G A 2 -6.046 5.925 0.334 1.00 0.00 C ATOM 50 O6 G A 2 -5.188 5.828 1.207 1.00 0.00 O ATOM 51 N1 G A 2 -5.770 6.617 -0.841 1.00 0.00 N ATOM 52 C2 G A 2 -6.652 6.787 -1.890 1.00 0.00 C ATOM 53 N2 G A 2 -6.203 7.483 -2.935 1.00 0.00 N ATOM 54 N3 G A 2 -7.898 6.298 -1.896 1.00 0.00 N ATOM 55 C4 G A 2 -8.190 5.622 -0.763 1.00 0.00 C ATOM 0 H5' G A 2 -13.250 2.494 0.528 1.00 0.00 H new ATOM 0 H5'' G A 2 -12.599 1.224 -0.488 1.00 0.00 H new ATOM 0 H4' G A 2 -13.089 3.303 -1.705 1.00 0.00 H new ATOM 0 H3' G A 2 -10.341 2.046 -1.633 1.00 0.00 H new ATOM 0 H2' G A 2 -9.318 3.917 -2.799 1.00 0.00 H new ATOM 0 HO2' G A 2 -11.770 4.023 -3.950 1.00 0.00 H new ATOM 0 H1' G A 2 -10.741 5.991 -1.686 1.00 0.00 H new ATOM 0 H8 G A 2 -9.968 3.923 1.264 1.00 0.00 H new ATOM 0 H1 G A 2 -4.843 7.032 -0.935 1.00 0.00 H new ATOM 0 H21 G A 2 -6.809 7.642 -3.740 1.00 0.00 H new ATOM 0 H22 G A 2 -5.254 7.857 -2.929 1.00 0.00 H new ATOM 67 P C A 3 -10.807 1.071 -4.122 1.00 0.00 P ATOM 68 OP1 C A 3 -11.686 0.586 -5.209 1.00 0.00 O ATOM 69 OP2 C A 3 -10.170 0.105 -3.200 1.00 0.00 O ATOM 70 O5' C A 3 -9.651 1.979 -4.776 1.00 0.00 O ATOM 71 C5' C A 3 -9.960 2.898 -5.826 1.00 0.00 C ATOM 72 C4' C A 3 -8.712 3.609 -6.333 1.00 0.00 C ATOM 73 O4' C A 3 -8.092 4.383 -5.310 1.00 0.00 O ATOM 74 C3' C A 3 -7.650 2.617 -6.757 1.00 0.00 C ATOM 75 O3' C A 3 -7.867 2.264 -8.124 1.00 0.00 O ATOM 76 C2' C A 3 -6.371 3.434 -6.667 1.00 0.00 C ATOM 77 O2' C A 3 -6.098 4.117 -7.896 1.00 0.00 O ATOM 78 C1' C A 3 -6.672 4.420 -5.535 1.00 0.00 C ATOM 79 N1 C A 3 -5.935 4.048 -4.318 1.00 0.00 N ATOM 80 C2 C A 3 -4.611 4.442 -4.224 1.00 0.00 C ATOM 81 O2 C A 3 -4.096 5.088 -5.135 1.00 0.00 O ATOM 82 N3 C A 3 -3.912 4.097 -3.109 1.00 0.00 N ATOM 83 C4 C A 3 -4.492 3.391 -2.128 1.00 0.00 C ATOM 84 N4 C A 3 -3.782 3.066 -1.048 1.00 0.00 N ATOM 85 C5 C A 3 -5.860 2.985 -2.225 1.00 0.00 C ATOM 86 C6 C A 3 -6.538 3.332 -3.331 1.00 0.00 C ATOM 0 H5' C A 3 -10.678 3.635 -5.466 1.00 0.00 H new ATOM 0 H5'' C A 3 -10.436 2.365 -6.649 1.00 0.00 H new ATOM 0 H4' C A 3 -9.053 4.231 -7.161 1.00 0.00 H new ATOM 0 H3' C A 3 -7.638 1.705 -6.161 1.00 0.00 H new ATOM 0 H2' C A 3 -5.486 2.825 -6.481 1.00 0.00 H new ATOM 0 HO2' C A 3 -6.827 3.953 -8.530 1.00 0.00 H new ATOM 0 H1' C A 3 -6.356 5.428 -5.802 1.00 0.00 H new ATOM 0 H41 C A 3 -4.214 2.529 -0.296 1.00 0.00 H new ATOM 0 H42 C A 3 -2.806 3.354 -0.973 1.00 0.00 H new ATOM 0 H5 C A 3 -6.332 2.419 -1.436 1.00 0.00 H new ATOM 0 H6 C A 3 -7.572 3.040 -3.438 1.00 0.00 H new ATOM 98 P U A 4 -7.211 0.921 -8.725 1.00 0.00 P ATOM 99 OP1 U A 4 -7.531 0.854 -10.168 1.00 0.00 O ATOM 100 OP2 U A 4 -7.567 -0.208 -7.837 1.00 0.00 O ATOM 101 O5' U A 4 -5.633 1.204 -8.571 1.00 0.00 O ATOM 102 C5' U A 4 -4.962 2.055 -9.502 1.00 0.00 C ATOM 103 C4' U A 4 -3.485 2.231 -9.159 1.00 0.00 C ATOM 104 O4' U A 4 -3.297 2.699 -7.827 1.00 0.00 O ATOM 105 C3' U A 4 -2.742 0.912 -9.194 1.00 0.00 C ATOM 106 O3' U A 4 -2.325 0.650 -10.536 1.00 0.00 O ATOM 107 C2' U A 4 -1.508 1.211 -8.358 1.00 0.00 C ATOM 108 O2' U A 4 -0.444 1.725 -9.168 1.00 0.00 O ATOM 109 C1' U A 4 -2.008 2.264 -7.361 1.00 0.00 C ATOM 110 N1 U A 4 -2.086 1.694 -6.005 1.00 0.00 N ATOM 111 C2 U A 4 -0.976 1.840 -5.194 1.00 0.00 C ATOM 112 O2 U A 4 0.029 2.442 -5.564 1.00 0.00 O ATOM 113 N3 U A 4 -1.060 1.266 -3.939 1.00 0.00 N ATOM 114 C4 U A 4 -2.143 0.569 -3.431 1.00 0.00 C ATOM 115 O4 U A 4 -2.112 0.096 -2.296 1.00 0.00 O ATOM 116 C5 U A 4 -3.258 0.469 -4.344 1.00 0.00 C ATOM 117 C6 U A 4 -3.200 1.023 -5.579 1.00 0.00 C ATOM 0 H5' U A 4 -5.449 3.030 -9.517 1.00 0.00 H new ATOM 0 H5'' U A 4 -5.053 1.638 -10.505 1.00 0.00 H new ATOM 0 H4' U A 4 -3.113 2.939 -9.899 1.00 0.00 H new ATOM 0 H3' U A 4 -3.330 0.064 -8.843 1.00 0.00 H new ATOM 0 H2' U A 4 -1.096 0.326 -7.873 1.00 0.00 H new ATOM 0 HO2' U A 4 -0.751 1.813 -10.094 1.00 0.00 H new ATOM 0 H1' U A 4 -1.324 3.110 -7.302 1.00 0.00 H new ATOM 0 H3 U A 4 -0.248 1.365 -3.330 1.00 0.00 H new ATOM 0 H5 U A 4 -4.151 -0.055 -4.038 1.00 0.00 H new ATOM 0 H6 U A 4 -4.049 0.933 -6.240 1.00 0.00 H new ATOM 128 P C A 5 -1.632 -0.755 -10.912 1.00 0.00 P ATOM 129 OP1 C A 5 -1.034 -0.632 -12.259 1.00 0.00 O ATOM 130 OP2 C A 5 -2.601 -1.838 -10.631 1.00 0.00 O ATOM 131 O5' C A 5 -0.436 -0.858 -9.835 1.00 0.00 O ATOM 132 C5' C A 5 0.801 -0.176 -10.057 1.00 0.00 C ATOM 133 C4' C A 5 1.935 -0.773 -9.227 1.00 0.00 C ATOM 134 O4' C A 5 1.846 -0.392 -7.859 1.00 0.00 O ATOM 135 C3' C A 5 1.866 -2.287 -9.204 1.00 0.00 C ATOM 136 O3' C A 5 2.581 -2.797 -10.332 1.00 0.00 O ATOM 137 C2' C A 5 2.642 -2.642 -7.944 1.00 0.00 C ATOM 138 O2' C A 5 4.028 -2.855 -8.228 1.00 0.00 O ATOM 139 C1' C A 5 2.439 -1.417 -7.045 1.00 0.00 C ATOM 140 N1 C A 5 1.579 -1.752 -5.894 1.00 0.00 N ATOM 141 C2 C A 5 2.185 -1.855 -4.653 1.00 0.00 C ATOM 142 O2 C A 5 3.390 -1.641 -4.536 1.00 0.00 O ATOM 143 N3 C A 5 1.415 -2.195 -3.584 1.00 0.00 N ATOM 144 C4 C A 5 0.103 -2.426 -3.726 1.00 0.00 C ATOM 145 N4 C A 5 -0.621 -2.759 -2.657 1.00 0.00 N ATOM 146 C5 C A 5 -0.528 -2.318 -5.008 1.00 0.00 C ATOM 147 C6 C A 5 0.244 -1.980 -6.058 1.00 0.00 C ATOM 0 H5' C A 5 0.684 0.879 -9.808 1.00 0.00 H new ATOM 0 H5'' C A 5 1.059 -0.227 -11.115 1.00 0.00 H new ATOM 0 H4' C A 5 2.850 -0.407 -9.693 1.00 0.00 H new ATOM 0 H3' C A 5 0.850 -2.681 -9.227 1.00 0.00 H new ATOM 0 H2' C A 5 2.300 -3.568 -7.483 1.00 0.00 H new ATOM 0 HO2' C A 5 4.194 -2.702 -9.182 1.00 0.00 H new ATOM 0 H1' C A 5 3.388 -1.073 -6.635 1.00 0.00 H new ATOM 0 H41 C A 5 -1.621 -2.937 -2.753 1.00 0.00 H new ATOM 0 H42 C A 5 -0.175 -2.836 -1.743 1.00 0.00 H new ATOM 0 H5 C A 5 -1.586 -2.501 -5.128 1.00 0.00 H new ATOM 0 H6 C A 5 -0.198 -1.889 -7.039 1.00 0.00 H new ATOM 159 P U A 6 2.420 -4.340 -10.764 1.00 0.00 P ATOM 160 OP1 U A 6 3.475 -4.658 -11.753 1.00 0.00 O ATOM 161 OP2 U A 6 0.998 -4.583 -11.098 1.00 0.00 O ATOM 162 O5' U A 6 2.758 -5.123 -9.397 1.00 0.00 O ATOM 163 C5' U A 6 4.108 -5.209 -8.933 1.00 0.00 C ATOM 164 C4' U A 6 4.194 -5.793 -7.526 1.00 0.00 C ATOM 165 O4' U A 6 3.150 -5.317 -6.682 1.00 0.00 O ATOM 166 C3' U A 6 4.011 -7.295 -7.538 1.00 0.00 C ATOM 167 O3' U A 6 5.278 -7.909 -7.794 1.00 0.00 O ATOM 168 C2' U A 6 3.607 -7.589 -6.101 1.00 0.00 C ATOM 169 O2' U A 6 4.755 -7.826 -5.277 1.00 0.00 O ATOM 170 C1' U A 6 2.873 -6.310 -5.677 1.00 0.00 C ATOM 171 N1 U A 6 1.424 -6.556 -5.551 1.00 0.00 N ATOM 172 C2 U A 6 0.983 -7.152 -4.384 1.00 0.00 C ATOM 173 O2 U A 6 1.752 -7.454 -3.475 1.00 0.00 O ATOM 174 N3 U A 6 -0.377 -7.390 -4.298 1.00 0.00 N ATOM 175 C4 U A 6 -1.321 -7.087 -5.263 1.00 0.00 C ATOM 176 O4 U A 6 -2.509 -7.343 -5.080 1.00 0.00 O ATOM 177 C5 U A 6 -0.773 -6.465 -6.448 1.00 0.00 C ATOM 178 C6 U A 6 0.556 -6.222 -6.555 1.00 0.00 C ATOM 0 H5' U A 6 4.558 -4.216 -8.941 1.00 0.00 H new ATOM 0 H5'' U A 6 4.688 -5.827 -9.618 1.00 0.00 H new ATOM 0 H4' U A 6 5.177 -5.495 -7.161 1.00 0.00 H new ATOM 0 H3' U A 6 3.299 -7.651 -8.282 1.00 0.00 H new ATOM 0 H2' U A 6 2.995 -8.486 -6.004 1.00 0.00 H new ATOM 0 HO2' U A 6 4.888 -7.065 -4.675 1.00 0.00 H new ATOM 0 H1' U A 6 3.215 -5.969 -4.700 1.00 0.00 H new ATOM 0 H3 U A 6 -0.716 -7.830 -3.443 1.00 0.00 H new ATOM 0 H5 U A 6 -1.432 -6.190 -7.259 1.00 0.00 H new ATOM 0 H6 U A 6 0.938 -5.755 -7.451 1.00 0.00 H new ATOM 189 P C A 7 5.486 -8.834 -9.097 1.00 0.00 P ATOM 190 OP1 C A 7 5.468 -7.961 -10.292 1.00 0.00 O ATOM 191 OP2 C A 7 4.552 -9.979 -9.006 1.00 0.00 O ATOM 192 O5' C A 7 6.984 -9.390 -8.902 1.00 0.00 O ATOM 193 C5' C A 7 8.101 -8.500 -8.968 1.00 0.00 C ATOM 194 C4' C A 7 8.911 -8.526 -7.676 1.00 0.00 C ATOM 195 O4' C A 7 9.882 -7.478 -7.660 1.00 0.00 O ATOM 196 C3' C A 7 8.005 -8.306 -6.461 1.00 0.00 C ATOM 197 O3' C A 7 8.198 -9.400 -5.557 1.00 0.00 O ATOM 198 C2' C A 7 8.536 -7.039 -5.794 1.00 0.00 C ATOM 199 O2' C A 7 8.549 -7.163 -4.368 1.00 0.00 O ATOM 200 C1' C A 7 9.943 -6.918 -6.352 1.00 0.00 C ATOM 201 N1 C A 7 10.380 -5.510 -6.396 1.00 0.00 N ATOM 202 C2 C A 7 11.260 -5.083 -5.415 1.00 0.00 C ATOM 203 O2 C A 7 11.648 -5.867 -4.553 1.00 0.00 O ATOM 204 N3 C A 7 11.674 -3.786 -5.441 1.00 0.00 N ATOM 205 C4 C A 7 11.240 -2.945 -6.388 1.00 0.00 C ATOM 206 N4 C A 7 11.663 -1.681 -6.385 1.00 0.00 N ATOM 207 C5 C A 7 10.331 -3.382 -7.402 1.00 0.00 C ATOM 208 C6 C A 7 9.928 -4.667 -7.369 1.00 0.00 C ATOM 0 H5' C A 7 7.749 -7.486 -9.158 1.00 0.00 H new ATOM 0 H5'' C A 7 8.741 -8.778 -9.806 1.00 0.00 H new ATOM 0 H4' C A 7 9.395 -9.502 -7.630 1.00 0.00 H new ATOM 0 H3' C A 7 6.952 -8.230 -6.730 1.00 0.00 H new ATOM 0 H2' C A 7 7.920 -6.163 -5.995 1.00 0.00 H new ATOM 0 HO2' C A 7 8.545 -8.112 -4.122 1.00 0.00 H new ATOM 0 H1' C A 7 10.669 -7.437 -5.726 1.00 0.00 H new ATOM 0 H41 C A 7 11.338 -1.033 -7.102 1.00 0.00 H new ATOM 0 H42 C A 7 12.312 -1.362 -5.665 1.00 0.00 H new ATOM 0 H5 C A 7 9.980 -2.706 -8.167 1.00 0.00 H new ATOM 0 H6 C A 7 9.242 -5.033 -8.119 1.00 0.00 H new ATOM 220 P A A 8 7.469 -10.813 -5.815 1.00 0.00 P ATOM 221 OP1 A A 8 8.508 -11.821 -6.123 1.00 0.00 O ATOM 222 OP2 A A 8 6.352 -10.592 -6.761 1.00 0.00 O ATOM 223 O5' A A 8 6.843 -11.160 -4.370 1.00 0.00 O ATOM 224 C5' A A 8 6.501 -10.115 -3.457 1.00 0.00 C ATOM 225 C4' A A 8 5.315 -10.501 -2.575 1.00 0.00 C ATOM 226 O4' A A 8 4.072 -10.238 -3.237 1.00 0.00 O ATOM 227 C3' A A 8 5.329 -11.992 -2.264 1.00 0.00 C ATOM 228 O3' A A 8 4.767 -12.184 -0.964 1.00 0.00 O ATOM 229 C2' A A 8 4.378 -12.589 -3.288 1.00 0.00 C ATOM 230 O2' A A 8 3.734 -13.765 -2.783 1.00 0.00 O ATOM 231 C1' A A 8 3.378 -11.464 -3.516 1.00 0.00 C ATOM 232 N9 A A 8 2.878 -11.484 -4.904 1.00 0.00 N ATOM 233 C8 A A 8 3.527 -11.204 -6.060 1.00 0.00 C ATOM 234 N7 A A 8 2.860 -11.313 -7.159 1.00 0.00 N ATOM 235 C5 A A 8 1.606 -11.715 -6.689 1.00 0.00 C ATOM 236 C6 A A 8 0.401 -12.016 -7.335 1.00 0.00 C ATOM 237 N6 A A 8 0.250 -11.958 -8.657 1.00 0.00 N ATOM 238 N1 A A 8 -0.641 -12.379 -6.566 1.00 0.00 N ATOM 239 C2 A A 8 -0.510 -12.444 -5.240 1.00 0.00 C ATOM 240 N3 A A 8 0.580 -12.182 -4.525 1.00 0.00 N ATOM 241 C4 A A 8 1.609 -11.820 -5.317 1.00 0.00 C ATOM 0 H5' A A 8 6.261 -9.209 -4.014 1.00 0.00 H new ATOM 0 H5'' A A 8 7.362 -9.884 -2.829 1.00 0.00 H new ATOM 0 H4' A A 8 5.404 -9.909 -1.664 1.00 0.00 H new ATOM 0 H3' A A 8 6.327 -12.430 -2.295 1.00 0.00 H new ATOM 0 H2' A A 8 4.878 -12.913 -4.201 1.00 0.00 H new ATOM 0 HO2' A A 8 3.836 -13.801 -1.809 1.00 0.00 H new ATOM 0 H1' A A 8 2.508 -11.574 -2.868 1.00 0.00 H new ATOM 0 H8 A A 8 4.564 -10.901 -6.061 1.00 0.00 H new ATOM 0 H61 A A 8 -0.650 -12.188 -9.078 1.00 0.00 H new ATOM 0 H62 A A 8 1.035 -11.684 -9.248 1.00 0.00 H new ATOM 0 H2 A A 8 -1.387 -12.743 -4.685 1.00 0.00 H new ATOM 253 P G A 9 5.645 -11.893 0.354 1.00 0.00 P ATOM 254 OP1 G A 9 6.530 -10.740 0.075 1.00 0.00 O ATOM 255 OP2 G A 9 6.223 -13.174 0.817 1.00 0.00 O ATOM 256 O5' G A 9 4.533 -11.425 1.420 1.00 0.00 O ATOM 257 C5' G A 9 4.251 -10.036 1.605 1.00 0.00 C ATOM 258 C4' G A 9 5.114 -9.439 2.722 1.00 0.00 C ATOM 259 O4' G A 9 6.476 -9.374 2.286 1.00 0.00 O ATOM 260 C3' G A 9 4.699 -8.002 3.084 1.00 0.00 C ATOM 261 O3' G A 9 4.162 -8.020 4.409 1.00 0.00 O ATOM 262 C2' G A 9 6.025 -7.235 3.174 1.00 0.00 C ATOM 263 O2' G A 9 6.524 -7.223 4.517 1.00 0.00 O ATOM 264 C1' G A 9 6.939 -8.019 2.262 1.00 0.00 C ATOM 265 N9 G A 9 6.933 -7.441 0.904 1.00 0.00 N ATOM 266 C8 G A 9 7.929 -6.798 0.258 1.00 0.00 C ATOM 267 N7 G A 9 7.685 -6.337 -0.922 1.00 0.00 N ATOM 268 C5 G A 9 6.353 -6.713 -1.105 1.00 0.00 C ATOM 269 C6 G A 9 5.494 -6.495 -2.215 1.00 0.00 C ATOM 270 O6 G A 9 5.743 -5.921 -3.272 1.00 0.00 O ATOM 271 N1 G A 9 4.233 -7.032 -1.995 1.00 0.00 N ATOM 272 C2 G A 9 3.840 -7.696 -0.851 1.00 0.00 C ATOM 273 N2 G A 9 2.584 -8.142 -0.831 1.00 0.00 N ATOM 274 N3 G A 9 4.643 -7.906 0.201 1.00 0.00 N ATOM 275 C4 G A 9 5.879 -7.392 0.010 1.00 0.00 C ATOM 0 H5' G A 9 3.196 -9.906 1.848 1.00 0.00 H new ATOM 0 H5'' G A 9 4.433 -9.498 0.675 1.00 0.00 H new ATOM 0 H4' G A 9 4.985 -10.082 3.593 1.00 0.00 H new ATOM 0 H3' G A 9 3.984 -7.581 2.377 1.00 0.00 H new ATOM 0 H2' G A 9 5.932 -6.187 2.889 1.00 0.00 H new ATOM 0 HO2' G A 9 5.815 -7.504 5.132 1.00 0.00 H new ATOM 0 H1' G A 9 7.976 -7.980 2.595 1.00 0.00 H new ATOM 0 H8 G A 9 8.900 -6.673 0.715 1.00 0.00 H new ATOM 0 H1 G A 9 3.542 -6.927 -2.738 1.00 0.00 H new ATOM 0 H21 G A 9 2.233 -8.641 -0.014 1.00 0.00 H new ATOM 0 H22 G A 9 1.974 -7.984 -1.633 1.00 0.00 H new ATOM 287 P U A 10 2.579 -7.848 4.644 1.00 0.00 P ATOM 288 OP1 U A 10 2.052 -9.117 5.195 1.00 0.00 O ATOM 289 OP2 U A 10 1.988 -7.278 3.412 1.00 0.00 O ATOM 290 O5' U A 10 2.508 -6.730 5.801 1.00 0.00 O ATOM 291 C5' U A 10 1.540 -6.836 6.849 1.00 0.00 C ATOM 292 C4' U A 10 0.965 -5.474 7.228 1.00 0.00 C ATOM 293 O4' U A 10 -0.342 -5.608 7.794 1.00 0.00 O ATOM 294 C3' U A 10 1.807 -4.807 8.302 1.00 0.00 C ATOM 295 O3' U A 10 1.578 -3.396 8.241 1.00 0.00 O ATOM 296 C2' U A 10 1.194 -5.332 9.592 1.00 0.00 C ATOM 297 O2' U A 10 1.375 -4.410 10.673 1.00 0.00 O ATOM 298 C1' U A 10 -0.280 -5.477 9.224 1.00 0.00 C ATOM 299 N1 U A 10 -0.871 -6.653 9.887 1.00 0.00 N ATOM 300 C2 U A 10 -1.614 -6.434 11.030 1.00 0.00 C ATOM 301 O2 U A 10 -1.792 -5.307 11.488 1.00 0.00 O ATOM 302 N3 U A 10 -2.149 -7.558 11.633 1.00 0.00 N ATOM 303 C4 U A 10 -2.005 -8.865 11.196 1.00 0.00 C ATOM 304 O4 U A 10 -2.525 -9.791 11.811 1.00 0.00 O ATOM 305 C5 U A 10 -1.212 -8.999 9.995 1.00 0.00 C ATOM 306 C6 U A 10 -0.680 -7.913 9.387 1.00 0.00 C ATOM 0 H5' U A 10 2.001 -7.293 7.725 1.00 0.00 H new ATOM 0 H5'' U A 10 0.733 -7.496 6.533 1.00 0.00 H new ATOM 0 H4' U A 10 0.946 -4.886 6.310 1.00 0.00 H new ATOM 0 H3' U A 10 2.876 -5.000 8.208 1.00 0.00 H new ATOM 0 H2' U A 10 1.648 -6.260 9.939 1.00 0.00 H new ATOM 0 HO2' U A 10 2.165 -3.856 10.502 1.00 0.00 H new ATOM 0 H1' U A 10 -0.850 -4.609 9.556 1.00 0.00 H new ATOM 0 H3 U A 10 -2.701 -7.411 12.478 1.00 0.00 H new ATOM 0 H5 U A 10 -1.041 -9.980 9.577 1.00 0.00 H new ATOM 0 H6 U A 10 -0.093 -8.043 8.490 1.00 0.00 H new ATOM 317 P G A 11 2.777 -2.359 8.525 1.00 0.00 P ATOM 318 OP1 G A 11 3.359 -2.672 9.848 1.00 0.00 O ATOM 319 OP2 G A 11 2.284 -0.992 8.240 1.00 0.00 O ATOM 320 O5' G A 11 3.854 -2.750 7.396 1.00 0.00 O ATOM 321 C5' G A 11 3.850 -2.080 6.135 1.00 0.00 C ATOM 322 C4' G A 11 5.190 -2.219 5.417 1.00 0.00 C ATOM 323 O4' G A 11 5.314 -3.503 4.783 1.00 0.00 O ATOM 324 C3' G A 11 5.317 -1.181 4.308 1.00 0.00 C ATOM 325 O3' G A 11 6.162 -0.127 4.774 1.00 0.00 O ATOM 326 C2' G A 11 6.041 -1.932 3.204 1.00 0.00 C ATOM 327 O2' G A 11 7.460 -1.910 3.398 1.00 0.00 O ATOM 328 C1' G A 11 5.477 -3.329 3.370 1.00 0.00 C ATOM 329 N9 G A 11 4.183 -3.477 2.673 1.00 0.00 N ATOM 330 C8 G A 11 2.991 -3.908 3.155 1.00 0.00 C ATOM 331 N7 G A 11 1.991 -3.940 2.341 1.00 0.00 N ATOM 332 C5 G A 11 2.570 -3.475 1.159 1.00 0.00 C ATOM 333 C6 G A 11 1.983 -3.277 -0.119 1.00 0.00 C ATOM 334 O6 G A 11 0.820 -3.476 -0.460 1.00 0.00 O ATOM 335 N1 G A 11 2.907 -2.796 -1.038 1.00 0.00 N ATOM 336 C2 G A 11 4.236 -2.536 -0.763 1.00 0.00 C ATOM 337 N2 G A 11 4.968 -2.078 -1.780 1.00 0.00 N ATOM 338 N3 G A 11 4.798 -2.720 0.439 1.00 0.00 N ATOM 339 C4 G A 11 3.913 -3.189 1.350 1.00 0.00 C ATOM 0 H5' G A 11 3.625 -1.024 6.285 1.00 0.00 H new ATOM 0 H5'' G A 11 3.057 -2.489 5.508 1.00 0.00 H new ATOM 0 H4' G A 11 5.960 -2.087 6.177 1.00 0.00 H new ATOM 0 H3' G A 11 4.364 -0.757 3.992 1.00 0.00 H new ATOM 0 H2' G A 11 5.896 -1.510 2.209 1.00 0.00 H new ATOM 0 HO2' G A 11 7.698 -1.162 3.985 1.00 0.00 H new ATOM 0 H1' G A 11 6.139 -4.079 2.936 1.00 0.00 H new ATOM 0 H8 G A 11 2.883 -4.214 4.185 1.00 0.00 H new ATOM 0 H1 G A 11 2.580 -2.621 -1.988 1.00 0.00 H new ATOM 0 H21 G A 11 5.956 -1.867 -1.642 1.00 0.00 H new ATOM 0 H22 G A 11 4.539 -1.939 -2.695 1.00 0.00 H new ATOM 351 P A A 12 5.543 1.325 5.099 1.00 0.00 P ATOM 352 OP1 A A 12 6.437 2.006 6.064 1.00 0.00 O ATOM 353 OP2 A A 12 4.107 1.157 5.417 1.00 0.00 O ATOM 354 O5' A A 12 5.661 2.079 3.683 1.00 0.00 O ATOM 355 C5' A A 12 6.874 2.736 3.313 1.00 0.00 C ATOM 356 C4' A A 12 7.077 2.733 1.801 1.00 0.00 C ATOM 357 O4' A A 12 6.686 1.487 1.218 1.00 0.00 O ATOM 358 C3' A A 12 6.203 3.768 1.120 1.00 0.00 C ATOM 359 O3' A A 12 6.904 5.014 1.097 1.00 0.00 O ATOM 360 C2' A A 12 6.120 3.231 -0.299 1.00 0.00 C ATOM 361 O2' A A 12 7.268 3.605 -1.070 1.00 0.00 O ATOM 362 C1' A A 12 6.074 1.724 -0.065 1.00 0.00 C ATOM 363 N9 A A 12 4.684 1.233 -0.091 1.00 0.00 N ATOM 364 C8 A A 12 4.026 0.454 0.801 1.00 0.00 C ATOM 365 N7 A A 12 2.809 0.129 0.527 1.00 0.00 N ATOM 366 C5 A A 12 2.617 0.769 -0.700 1.00 0.00 C ATOM 367 C6 A A 12 1.523 0.839 -1.567 1.00 0.00 C ATOM 368 N6 A A 12 0.366 0.226 -1.324 1.00 0.00 N ATOM 369 N1 A A 12 1.671 1.558 -2.694 1.00 0.00 N ATOM 370 C2 A A 12 2.827 2.173 -2.956 1.00 0.00 C ATOM 371 N3 A A 12 3.926 2.172 -2.205 1.00 0.00 N ATOM 372 C4 A A 12 3.752 1.445 -1.083 1.00 0.00 C ATOM 0 H5' A A 12 7.718 2.242 3.795 1.00 0.00 H new ATOM 0 H5'' A A 12 6.857 3.764 3.676 1.00 0.00 H new ATOM 0 H4' A A 12 8.138 2.935 1.656 1.00 0.00 H new ATOM 0 H3' A A 12 5.236 3.925 1.598 1.00 0.00 H new ATOM 0 H2' A A 12 5.270 3.615 -0.864 1.00 0.00 H new ATOM 0 HO2' A A 12 7.673 4.410 -0.684 1.00 0.00 H new ATOM 0 H1' A A 12 6.607 1.189 -0.851 1.00 0.00 H new ATOM 0 H8 A A 12 4.504 0.117 1.709 1.00 0.00 H new ATOM 0 H61 A A 12 -0.404 0.307 -1.988 1.00 0.00 H new ATOM 0 H62 A A 12 0.250 -0.325 -0.474 1.00 0.00 H new ATOM 0 H2 A A 12 2.876 2.733 -3.878 1.00 0.00 H new ATOM 384 P G A 13 6.197 6.350 1.652 1.00 0.00 P ATOM 385 OP1 G A 13 7.257 7.314 2.023 1.00 0.00 O ATOM 386 OP2 G A 13 5.177 5.954 2.649 1.00 0.00 O ATOM 387 O5' G A 13 5.437 6.913 0.350 1.00 0.00 O ATOM 388 C5' G A 13 6.179 7.471 -0.737 1.00 0.00 C ATOM 389 C4' G A 13 5.316 7.633 -1.985 1.00 0.00 C ATOM 390 O4' G A 13 4.857 6.369 -2.476 1.00 0.00 O ATOM 391 C3' G A 13 4.057 8.425 -1.691 1.00 0.00 C ATOM 392 O3' G A 13 4.336 9.812 -1.892 1.00 0.00 O ATOM 393 C2' G A 13 3.115 7.955 -2.782 1.00 0.00 C ATOM 394 O2' G A 13 3.334 8.663 -4.007 1.00 0.00 O ATOM 395 C1' G A 13 3.489 6.483 -2.912 1.00 0.00 C ATOM 396 N9 G A 13 2.593 5.653 -2.085 1.00 0.00 N ATOM 397 C8 G A 13 2.818 5.073 -0.879 1.00 0.00 C ATOM 398 N7 G A 13 1.844 4.421 -0.339 1.00 0.00 N ATOM 399 C5 G A 13 0.832 4.576 -1.292 1.00 0.00 C ATOM 400 C6 G A 13 -0.503 4.088 -1.290 1.00 0.00 C ATOM 401 O6 G A 13 -1.066 3.415 -0.432 1.00 0.00 O ATOM 402 N1 G A 13 -1.186 4.469 -2.439 1.00 0.00 N ATOM 403 C2 G A 13 -0.656 5.223 -3.466 1.00 0.00 C ATOM 404 N2 G A 13 -1.471 5.484 -4.488 1.00 0.00 N ATOM 405 N3 G A 13 0.599 5.686 -3.476 1.00 0.00 N ATOM 406 C4 G A 13 1.284 5.329 -2.366 1.00 0.00 C ATOM 0 H5' G A 13 7.030 6.829 -0.964 1.00 0.00 H new ATOM 0 H5'' G A 13 6.580 8.441 -0.444 1.00 0.00 H new ATOM 0 H4' G A 13 5.952 8.140 -2.711 1.00 0.00 H new ATOM 0 H3' G A 13 3.670 8.293 -0.681 1.00 0.00 H new ATOM 0 H2' G A 13 2.062 8.121 -2.554 1.00 0.00 H new ATOM 0 HO2' G A 13 3.825 9.491 -3.823 1.00 0.00 H new ATOM 0 H1' G A 13 3.384 6.133 -3.939 1.00 0.00 H new ATOM 0 H8 G A 13 3.777 5.154 -0.389 1.00 0.00 H new ATOM 0 H1 G A 13 -2.156 4.167 -2.530 1.00 0.00 H new ATOM 0 H21 G A 13 -1.138 6.037 -5.278 1.00 0.00 H new ATOM 0 H22 G A 13 -2.428 5.131 -4.480 1.00 0.00 H new ATOM 418 P C A 14 3.721 10.916 -0.896 1.00 0.00 P ATOM 419 OP1 C A 14 4.438 12.192 -1.120 1.00 0.00 O ATOM 420 OP2 C A 14 3.657 10.333 0.462 1.00 0.00 O ATOM 421 O5' C A 14 2.218 11.081 -1.446 1.00 0.00 O ATOM 422 C5' C A 14 1.964 11.835 -2.632 1.00 0.00 C ATOM 423 C4' C A 14 0.584 11.538 -3.210 1.00 0.00 C ATOM 424 O4' C A 14 0.328 10.135 -3.281 1.00 0.00 O ATOM 425 C3' C A 14 -0.514 12.085 -2.323 1.00 0.00 C ATOM 426 O3' C A 14 -0.774 13.441 -2.692 1.00 0.00 O ATOM 427 C2' C A 14 -1.710 11.241 -2.725 1.00 0.00 C ATOM 428 O2' C A 14 -2.385 11.794 -3.860 1.00 0.00 O ATOM 429 C1' C A 14 -1.073 9.890 -3.055 1.00 0.00 C ATOM 430 N1 C A 14 -1.281 8.941 -1.945 1.00 0.00 N ATOM 431 C2 C A 14 -2.529 8.350 -1.841 1.00 0.00 C ATOM 432 O2 C A 14 -3.393 8.586 -2.683 1.00 0.00 O ATOM 433 N3 C A 14 -2.763 7.511 -0.795 1.00 0.00 N ATOM 434 C4 C A 14 -1.810 7.264 0.112 1.00 0.00 C ATOM 435 N4 C A 14 -2.074 6.443 1.129 1.00 0.00 N ATOM 436 C5 C A 14 -0.518 7.869 0.008 1.00 0.00 C ATOM 437 C6 C A 14 -0.296 8.697 -1.032 1.00 0.00 C ATOM 0 H5' C A 14 2.726 11.607 -3.377 1.00 0.00 H new ATOM 0 H5'' C A 14 2.043 12.899 -2.410 1.00 0.00 H new ATOM 0 H4' C A 14 0.584 11.998 -4.198 1.00 0.00 H new ATOM 0 H3' C A 14 -0.279 12.055 -1.259 1.00 0.00 H new ATOM 0 H2' C A 14 -2.474 11.179 -1.950 1.00 0.00 H new ATOM 0 HO2' C A 14 -1.894 12.578 -4.182 1.00 0.00 H new ATOM 0 H1' C A 14 -1.526 9.443 -3.940 1.00 0.00 H new ATOM 0 H41 C A 14 -1.356 6.247 1.826 1.00 0.00 H new ATOM 0 H42 C A 14 -2.994 6.011 1.210 1.00 0.00 H new ATOM 0 H5 C A 14 0.253 7.669 0.738 1.00 0.00 H new ATOM 0 H6 C A 14 0.668 9.171 -1.144 1.00 0.00 H new ATOM 449 P C A 15 -1.742 14.357 -1.789 1.00 0.00 P ATOM 450 OP1 C A 15 -1.668 15.747 -2.292 1.00 0.00 O ATOM 451 OP2 C A 15 -1.454 14.072 -0.366 1.00 0.00 O ATOM 452 O5' C A 15 -3.201 13.772 -2.135 1.00 0.00 O ATOM 453 C5' C A 15 -3.930 14.271 -3.259 1.00 0.00 C ATOM 454 C4' C A 15 -5.313 13.632 -3.370 1.00 0.00 C ATOM 455 O4' C A 15 -5.251 12.220 -3.139 1.00 0.00 O ATOM 456 C3' C A 15 -6.259 14.192 -2.318 1.00 0.00 C ATOM 457 O3' C A 15 -6.954 15.347 -2.799 1.00 0.00 O ATOM 458 C2' C A 15 -7.208 13.030 -2.081 1.00 0.00 C ATOM 459 O2' C A 15 -8.271 13.016 -3.041 1.00 0.00 O ATOM 460 C1' C A 15 -6.296 11.821 -2.243 1.00 0.00 C ATOM 461 N1 C A 15 -5.740 11.403 -0.943 1.00 0.00 N ATOM 462 C2 C A 15 -6.505 10.547 -0.164 1.00 0.00 C ATOM 463 O2 C A 15 -7.606 10.169 -0.561 1.00 0.00 O ATOM 464 N3 C A 15 -6.002 10.148 1.036 1.00 0.00 N ATOM 465 C4 C A 15 -4.801 10.570 1.454 1.00 0.00 C ATOM 466 N4 C A 15 -4.336 10.160 2.634 1.00 0.00 N ATOM 467 C5 C A 15 -4.010 11.452 0.651 1.00 0.00 C ATOM 468 C6 C A 15 -4.516 11.841 -0.534 1.00 0.00 C ATOM 0 H5' C A 15 -3.367 14.078 -4.172 1.00 0.00 H new ATOM 0 H5'' C A 15 -4.036 15.352 -3.172 1.00 0.00 H new ATOM 0 H4' C A 15 -5.669 13.849 -4.377 1.00 0.00 H new ATOM 0 H3' C A 15 -5.752 14.530 -1.414 1.00 0.00 H new ATOM 0 H2' C A 15 -7.708 13.070 -1.113 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.394 13.917 -3.406 1.00 0.00 H new ATOM 0 HO3' C A 15 -7.555 15.682 -2.101 1.00 0.00 H new ATOM 0 H1' C A 15 -6.846 10.966 -2.636 1.00 0.00 H new ATOM 0 H41 C A 15 -3.423 10.476 2.960 1.00 0.00 H new ATOM 0 H42 C A 15 -4.893 9.530 3.211 1.00 0.00 H new ATOM 0 H5 C A 15 -3.041 11.793 0.984 1.00 0.00 H new ATOM 0 H6 C A 15 -3.947 12.506 -1.166 1.00 0.00 H new TER 481 C A 15