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 -26:sc= 0.329 USER MOD Single : A 1 G O5' : rot -5:sc= 1.38 USER MOD Single : A 2 G O2' : rot -150:sc= -6.4! USER MOD Single : A 3 C O2' : rot 170:sc= -6.33! USER MOD Single : A 4 U O2' : rot 4:sc= -7.43! USER MOD Single : A 5 C O2' : rot 9:sc= -6.81! USER MOD Single : A 6 U O2' : rot 104:sc= 0.00439 USER MOD Single : A 7 C O2' : rot -126:sc= 1.94 USER MOD Single : A 8 A O2' : rot 17:sc= 0.229 USER MOD Single : A 9 G O2' : rot -8:sc= 0.615 USER MOD Single : A 10 U O2' : rot -49:sc= 0.543 USER MOD Single : A 11 G O2' : rot -18:sc= 0.271 USER MOD Single : A 12 A O2' : rot -10:sc= 0.352 USER MOD Single : A 13 G O2' : rot -20:sc= 0.26 USER MOD Single : A 14 C O2' : rot 10:sc= -0.16 USER MOD Single : A 15 C O2' : rot -24:sc= 0.174 USER MOD Single : A 15 C O3' : rot 180:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -9.823 4.328 6.700 1.00 0.00 O ATOM 2 C5' G A 1 -11.072 3.640 6.598 1.00 0.00 C ATOM 3 C4' G A 1 -12.048 4.383 5.691 1.00 0.00 C ATOM 4 O4' G A 1 -12.076 5.785 5.997 1.00 0.00 O ATOM 5 C3' G A 1 -11.620 4.280 4.235 1.00 0.00 C ATOM 6 O3' G A 1 -12.366 3.223 3.625 1.00 0.00 O ATOM 7 C2' G A 1 -12.090 5.603 3.647 1.00 0.00 C ATOM 8 O2' G A 1 -13.471 5.548 3.272 1.00 0.00 O ATOM 9 C1' G A 1 -11.869 6.554 4.802 1.00 0.00 C ATOM 10 N9 G A 1 -10.513 7.139 4.763 1.00 0.00 N ATOM 11 C8 G A 1 -9.561 7.194 5.728 1.00 0.00 C ATOM 12 N7 G A 1 -8.450 7.783 5.439 1.00 0.00 N ATOM 13 C5 G A 1 -8.673 8.176 4.115 1.00 0.00 C ATOM 14 C6 G A 1 -7.823 8.877 3.219 1.00 0.00 C ATOM 15 O6 G A 1 -6.685 9.297 3.418 1.00 0.00 O ATOM 16 N1 G A 1 -8.432 9.071 1.984 1.00 0.00 N ATOM 17 C2 G A 1 -9.701 8.645 1.649 1.00 0.00 C ATOM 18 N2 G A 1 -10.111 8.927 0.411 1.00 0.00 N ATOM 19 N3 G A 1 -10.507 7.985 2.486 1.00 0.00 N ATOM 20 C4 G A 1 -9.935 7.784 3.695 1.00 0.00 C ATOM 0 H5' G A 1 -11.509 3.528 7.590 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.905 2.636 6.209 1.00 0.00 H new ATOM 0 H4' G A 1 -13.024 3.926 5.853 1.00 0.00 H new ATOM 0 H3' G A 1 -10.556 4.091 4.097 1.00 0.00 H new ATOM 0 H2' G A 1 -11.567 5.889 2.735 1.00 0.00 H new ATOM 0 HO2' G A 1 -13.720 4.621 3.074 1.00 0.00 H new ATOM 0 HO5' G A 1 -9.827 5.104 6.101 1.00 0.00 H new ATOM 0 H1' G A 1 -12.558 7.397 4.756 1.00 0.00 H new ATOM 0 H8 G A 1 -9.727 6.760 6.703 1.00 0.00 H new ATOM 0 H1 G A 1 -7.899 9.567 1.270 1.00 0.00 H new ATOM 0 H21 G A 1 -11.040 8.638 0.103 1.00 0.00 H new ATOM 0 H22 G A 1 -9.496 9.431 -0.228 1.00 0.00 H new ATOM 33 P G A 2 -11.607 1.991 2.923 1.00 0.00 P ATOM 34 OP1 G A 2 -12.530 0.834 2.894 1.00 0.00 O ATOM 35 OP2 G A 2 -10.272 1.853 3.547 1.00 0.00 O ATOM 36 O5' G A 2 -11.407 2.516 1.415 1.00 0.00 O ATOM 37 C5' G A 2 -12.520 2.598 0.523 1.00 0.00 C ATOM 38 C4' G A 2 -12.189 3.428 -0.713 1.00 0.00 C ATOM 39 O4' G A 2 -11.798 4.762 -0.358 1.00 0.00 O ATOM 40 C3' G A 2 -11.010 2.832 -1.466 1.00 0.00 C ATOM 41 O3' G A 2 -11.514 2.011 -2.520 1.00 0.00 O ATOM 42 C2' G A 2 -10.339 4.043 -2.087 1.00 0.00 C ATOM 43 O2' G A 2 -10.904 4.360 -3.365 1.00 0.00 O ATOM 44 C1' G A 2 -10.610 5.142 -1.075 1.00 0.00 C ATOM 45 N9 G A 2 -9.464 5.321 -0.161 1.00 0.00 N ATOM 46 C8 G A 2 -9.349 5.054 1.166 1.00 0.00 C ATOM 47 N7 G A 2 -8.216 5.311 1.731 1.00 0.00 N ATOM 48 C5 G A 2 -7.471 5.814 0.660 1.00 0.00 C ATOM 49 C6 G A 2 -6.129 6.282 0.624 1.00 0.00 C ATOM 50 O6 G A 2 -5.319 6.344 1.545 1.00 0.00 O ATOM 51 N1 G A 2 -5.770 6.700 -0.652 1.00 0.00 N ATOM 52 C2 G A 2 -6.595 6.675 -1.759 1.00 0.00 C ATOM 53 N2 G A 2 -6.068 7.120 -2.900 1.00 0.00 N ATOM 54 N3 G A 2 -7.856 6.236 -1.733 1.00 0.00 N ATOM 55 C4 G A 2 -8.229 5.823 -0.501 1.00 0.00 C ATOM 0 H5' G A 2 -13.371 3.040 1.042 1.00 0.00 H new ATOM 0 H5'' G A 2 -12.818 1.595 0.219 1.00 0.00 H new ATOM 0 H4' G A 2 -13.092 3.435 -1.324 1.00 0.00 H new ATOM 0 H3' G A 2 -10.348 2.238 -0.836 1.00 0.00 H new ATOM 0 H2' G A 2 -9.277 3.889 -2.279 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.220 4.774 -3.932 1.00 0.00 H new ATOM 0 H1' G A 2 -10.752 6.101 -1.574 1.00 0.00 H new ATOM 0 H8 G A 2 -10.174 4.642 1.728 1.00 0.00 H new ATOM 0 H1 G A 2 -4.822 7.053 -0.781 1.00 0.00 H new ATOM 0 H21 G A 2 -6.628 7.126 -3.752 1.00 0.00 H new ATOM 0 H22 G A 2 -5.104 7.454 -2.921 1.00 0.00 H new ATOM 67 P C A 3 -10.647 0.772 -3.069 1.00 0.00 P ATOM 68 OP1 C A 3 -11.519 -0.063 -3.925 1.00 0.00 O ATOM 69 OP2 C A 3 -9.937 0.163 -1.921 1.00 0.00 O ATOM 70 O5' C A 3 -9.558 1.495 -4.008 1.00 0.00 O ATOM 71 C5' C A 3 -9.959 2.488 -4.955 1.00 0.00 C ATOM 72 C4' C A 3 -8.757 3.116 -5.654 1.00 0.00 C ATOM 73 O4' C A 3 -8.063 4.015 -4.791 1.00 0.00 O ATOM 74 C3' C A 3 -7.739 2.062 -6.039 1.00 0.00 C ATOM 75 O3' C A 3 -8.033 1.607 -7.363 1.00 0.00 O ATOM 76 C2' C A 3 -6.431 2.838 -6.077 1.00 0.00 C ATOM 77 O2' C A 3 -6.184 3.385 -7.377 1.00 0.00 O ATOM 78 C1' C A 3 -6.650 3.944 -5.041 1.00 0.00 C ATOM 79 N1 C A 3 -5.911 3.653 -3.800 1.00 0.00 N ATOM 80 C2 C A 3 -4.567 3.988 -3.760 1.00 0.00 C ATOM 81 O2 C A 3 -4.036 4.519 -4.734 1.00 0.00 O ATOM 82 N3 C A 3 -3.867 3.715 -2.625 1.00 0.00 N ATOM 83 C4 C A 3 -4.461 3.136 -1.572 1.00 0.00 C ATOM 84 N4 C A 3 -3.746 2.879 -0.476 1.00 0.00 N ATOM 85 C5 C A 3 -5.850 2.791 -1.612 1.00 0.00 C ATOM 86 C6 C A 3 -6.531 3.066 -2.739 1.00 0.00 C ATOM 0 H5' C A 3 -10.532 3.264 -4.448 1.00 0.00 H new ATOM 0 H5'' C A 3 -10.618 2.038 -5.697 1.00 0.00 H new ATOM 0 H4' C A 3 -9.157 3.631 -6.527 1.00 0.00 H new ATOM 0 H3' C A 3 -7.722 1.205 -5.366 1.00 0.00 H new ATOM 0 H2' C A 3 -5.562 2.216 -5.861 1.00 0.00 H new ATOM 0 HO2' C A 3 -5.427 4.006 -7.332 1.00 0.00 H new ATOM 0 H1' C A 3 -6.278 4.899 -5.414 1.00 0.00 H new ATOM 0 H41 C A 3 -4.189 2.439 0.330 1.00 0.00 H new ATOM 0 H42 C A 3 -2.756 3.123 -0.444 1.00 0.00 H new ATOM 0 H5 C A 3 -6.334 2.326 -0.766 1.00 0.00 H new ATOM 0 H6 C A 3 -7.580 2.819 -2.803 1.00 0.00 H new ATOM 98 P U A 4 -7.423 0.217 -7.901 1.00 0.00 P ATOM 99 OP1 U A 4 -7.918 -0.007 -9.277 1.00 0.00 O ATOM 100 OP2 U A 4 -7.636 -0.816 -6.862 1.00 0.00 O ATOM 101 O5' U A 4 -5.847 0.535 -7.980 1.00 0.00 O ATOM 102 C5' U A 4 -5.357 1.530 -8.883 1.00 0.00 C ATOM 103 C4' U A 4 -3.955 1.996 -8.503 1.00 0.00 C ATOM 104 O4' U A 4 -3.857 2.286 -7.113 1.00 0.00 O ATOM 105 C3' U A 4 -2.929 0.908 -8.743 1.00 0.00 C ATOM 106 O3' U A 4 -2.434 1.039 -10.078 1.00 0.00 O ATOM 107 C2' U A 4 -1.804 1.261 -7.778 1.00 0.00 C ATOM 108 O2' U A 4 -0.787 2.034 -8.426 1.00 0.00 O ATOM 109 C1' U A 4 -2.505 2.072 -6.682 1.00 0.00 C ATOM 110 N1 U A 4 -2.461 1.352 -5.398 1.00 0.00 N ATOM 111 C2 U A 4 -1.368 1.578 -4.587 1.00 0.00 C ATOM 112 O2 U A 4 -0.472 2.359 -4.901 1.00 0.00 O ATOM 113 N3 U A 4 -1.336 0.874 -3.398 1.00 0.00 N ATOM 114 C4 U A 4 -2.293 -0.025 -2.956 1.00 0.00 C ATOM 115 O4 U A 4 -2.166 -0.600 -1.878 1.00 0.00 O ATOM 116 C5 U A 4 -3.402 -0.198 -3.867 1.00 0.00 C ATOM 117 C6 U A 4 -3.453 0.482 -5.038 1.00 0.00 C ATOM 0 H5' U A 4 -6.035 2.383 -8.887 1.00 0.00 H new ATOM 0 H5'' U A 4 -5.345 1.128 -9.896 1.00 0.00 H new ATOM 0 H4' U A 4 -3.769 2.878 -9.115 1.00 0.00 H new ATOM 0 H3' U A 4 -3.323 -0.099 -8.606 1.00 0.00 H new ATOM 0 H2' U A 4 -1.293 0.381 -7.388 1.00 0.00 H new ATOM 0 HO2' U A 4 -1.058 2.224 -9.348 1.00 0.00 H new ATOM 0 H1' U A 4 -2.005 3.027 -6.524 1.00 0.00 H new ATOM 0 H3 U A 4 -0.533 1.031 -2.789 1.00 0.00 H new ATOM 0 H5 U A 4 -4.201 -0.878 -3.611 1.00 0.00 H new ATOM 0 H6 U A 4 -4.293 0.334 -5.700 1.00 0.00 H new ATOM 128 P C A 5 -1.710 -0.202 -10.802 1.00 0.00 P ATOM 129 OP1 C A 5 -1.209 0.258 -12.116 1.00 0.00 O ATOM 130 OP2 C A 5 -2.612 -1.373 -10.725 1.00 0.00 O ATOM 131 O5' C A 5 -0.442 -0.478 -9.848 1.00 0.00 O ATOM 132 C5' C A 5 0.606 0.488 -9.736 1.00 0.00 C ATOM 133 C4' C A 5 1.813 -0.074 -8.991 1.00 0.00 C ATOM 134 O4' C A 5 1.704 0.129 -7.585 1.00 0.00 O ATOM 135 C3' C A 5 1.913 -1.578 -9.156 1.00 0.00 C ATOM 136 O3' C A 5 2.673 -1.862 -10.332 1.00 0.00 O ATOM 137 C2' C A 5 2.732 -1.997 -7.944 1.00 0.00 C ATOM 138 O2' C A 5 4.133 -1.991 -8.237 1.00 0.00 O ATOM 139 C1' C A 5 2.376 -0.938 -6.896 1.00 0.00 C ATOM 140 N1 C A 5 1.521 -1.512 -5.839 1.00 0.00 N ATOM 141 C2 C A 5 2.115 -1.765 -4.614 1.00 0.00 C ATOM 142 O2 C A 5 3.303 -1.505 -4.440 1.00 0.00 O ATOM 143 N3 C A 5 1.351 -2.305 -3.625 1.00 0.00 N ATOM 144 C4 C A 5 0.057 -2.584 -3.830 1.00 0.00 C ATOM 145 N4 C A 5 -0.662 -3.111 -2.838 1.00 0.00 N ATOM 146 C5 C A 5 -0.561 -2.322 -5.095 1.00 0.00 C ATOM 147 C6 C A 5 0.204 -1.789 -6.066 1.00 0.00 C ATOM 0 H5' C A 5 0.234 1.370 -9.214 1.00 0.00 H new ATOM 0 H5'' C A 5 0.911 0.812 -10.731 1.00 0.00 H new ATOM 0 H4' C A 5 2.676 0.444 -9.410 1.00 0.00 H new ATOM 0 H3' C A 5 0.947 -2.076 -9.235 1.00 0.00 H new ATOM 0 H2' C A 5 2.514 -3.012 -7.612 1.00 0.00 H new ATOM 0 HO2' C A 5 4.282 -1.582 -9.115 1.00 0.00 H new ATOM 0 H1' C A 5 3.274 -0.566 -6.403 1.00 0.00 H new ATOM 0 H41 C A 5 -1.648 -3.328 -2.982 1.00 0.00 H new ATOM 0 H42 C A 5 -0.226 -3.297 -1.935 1.00 0.00 H new ATOM 0 H5 C A 5 -1.604 -2.544 -5.264 1.00 0.00 H new ATOM 0 H6 C A 5 -0.228 -1.579 -7.033 1.00 0.00 H new ATOM 159 P U A 6 2.635 -3.334 -10.987 1.00 0.00 P ATOM 160 OP1 U A 6 3.672 -3.399 -12.040 1.00 0.00 O ATOM 161 OP2 U A 6 1.230 -3.659 -11.313 1.00 0.00 O ATOM 162 O5' U A 6 3.100 -4.273 -9.763 1.00 0.00 O ATOM 163 C5' U A 6 4.446 -4.224 -9.285 1.00 0.00 C ATOM 164 C4' U A 6 4.618 -5.004 -7.984 1.00 0.00 C ATOM 165 O4' U A 6 3.557 -4.751 -7.068 1.00 0.00 O ATOM 166 C3' U A 6 4.567 -6.500 -8.223 1.00 0.00 C ATOM 167 O3' U A 6 5.885 -6.955 -8.541 1.00 0.00 O ATOM 168 C2' U A 6 4.188 -7.043 -6.854 1.00 0.00 C ATOM 169 O2' U A 6 5.348 -7.293 -6.053 1.00 0.00 O ATOM 170 C1' U A 6 3.332 -5.920 -6.262 1.00 0.00 C ATOM 171 N1 U A 6 1.906 -6.296 -6.260 1.00 0.00 N ATOM 172 C2 U A 6 1.448 -7.043 -5.190 1.00 0.00 C ATOM 173 O2 U A 6 2.185 -7.376 -4.264 1.00 0.00 O ATOM 174 N3 U A 6 0.112 -7.395 -5.222 1.00 0.00 N ATOM 175 C4 U A 6 -0.794 -7.070 -6.217 1.00 0.00 C ATOM 176 O4 U A 6 -1.964 -7.438 -6.142 1.00 0.00 O ATOM 177 C5 U A 6 -0.231 -6.287 -7.294 1.00 0.00 C ATOM 178 C6 U A 6 1.076 -5.930 -7.284 1.00 0.00 C ATOM 0 H5' U A 6 4.737 -3.186 -9.127 1.00 0.00 H new ATOM 0 H5'' U A 6 5.115 -4.631 -10.043 1.00 0.00 H new ATOM 0 H4' U A 6 5.581 -4.682 -7.588 1.00 0.00 H new ATOM 0 H3' U A 6 3.890 -6.799 -9.024 1.00 0.00 H new ATOM 0 H2' U A 6 3.666 -7.999 -6.902 1.00 0.00 H new ATOM 0 HO2' U A 6 5.440 -6.586 -5.381 1.00 0.00 H new ATOM 0 H1' U A 6 3.608 -5.728 -5.225 1.00 0.00 H new ATOM 0 H3 U A 6 -0.240 -7.946 -4.439 1.00 0.00 H new ATOM 0 H5 U A 6 -0.860 -5.983 -8.117 1.00 0.00 H new ATOM 0 H6 U A 6 1.471 -5.344 -8.101 1.00 0.00 H new ATOM 189 P C A 7 6.116 -8.428 -9.148 1.00 0.00 P ATOM 190 OP1 C A 7 6.418 -8.292 -10.590 1.00 0.00 O ATOM 191 OP2 C A 7 4.999 -9.293 -8.705 1.00 0.00 O ATOM 192 O5' C A 7 7.456 -8.909 -8.396 1.00 0.00 O ATOM 193 C5' C A 7 8.466 -7.961 -8.039 1.00 0.00 C ATOM 194 C4' C A 7 9.265 -8.421 -6.825 1.00 0.00 C ATOM 195 O4' C A 7 10.189 -7.414 -6.408 1.00 0.00 O ATOM 196 C3' C A 7 8.343 -8.691 -5.634 1.00 0.00 C ATOM 197 O3' C A 7 8.570 -10.033 -5.194 1.00 0.00 O ATOM 198 C2' C A 7 8.820 -7.745 -4.534 1.00 0.00 C ATOM 199 O2' C A 7 8.844 -8.398 -3.259 1.00 0.00 O ATOM 200 C1' C A 7 10.219 -7.362 -4.986 1.00 0.00 C ATOM 201 N1 C A 7 10.579 -6.012 -4.512 1.00 0.00 N ATOM 202 C2 C A 7 10.894 -5.870 -3.169 1.00 0.00 C ATOM 203 O2 C A 7 10.865 -6.845 -2.423 1.00 0.00 O ATOM 204 N3 C A 7 11.230 -4.631 -2.714 1.00 0.00 N ATOM 205 C4 C A 7 11.257 -3.578 -3.541 1.00 0.00 C ATOM 206 N4 C A 7 11.590 -2.381 -3.060 1.00 0.00 N ATOM 207 C5 C A 7 10.933 -3.722 -4.927 1.00 0.00 C ATOM 208 C6 C A 7 10.602 -4.950 -5.368 1.00 0.00 C ATOM 0 H5' C A 7 8.002 -6.998 -7.826 1.00 0.00 H new ATOM 0 H5'' C A 7 9.139 -7.811 -8.883 1.00 0.00 H new ATOM 0 H4' C A 7 9.790 -9.328 -7.124 1.00 0.00 H new ATOM 0 H3' C A 7 7.290 -8.551 -5.879 1.00 0.00 H new ATOM 0 H2' C A 7 8.166 -6.884 -4.400 1.00 0.00 H new ATOM 0 HO2' C A 7 8.321 -7.877 -2.615 1.00 0.00 H new ATOM 0 H1' C A 7 10.971 -8.037 -4.576 1.00 0.00 H new ATOM 0 H41 C A 7 11.614 -1.571 -3.680 1.00 0.00 H new ATOM 0 H42 C A 7 11.821 -2.275 -2.072 1.00 0.00 H new ATOM 0 H5 C A 7 10.953 -2.875 -5.596 1.00 0.00 H new ATOM 0 H6 C A 7 10.352 -5.096 -6.409 1.00 0.00 H new ATOM 220 P A A 8 7.750 -11.255 -5.847 1.00 0.00 P ATOM 221 OP1 A A 8 8.475 -12.510 -5.545 1.00 0.00 O ATOM 222 OP2 A A 8 7.432 -10.905 -7.249 1.00 0.00 O ATOM 223 O5' A A 8 6.380 -11.250 -5.002 1.00 0.00 O ATOM 224 C5' A A 8 6.402 -11.025 -3.591 1.00 0.00 C ATOM 225 C4' A A 8 4.999 -11.059 -2.990 1.00 0.00 C ATOM 226 O4' A A 8 4.045 -10.431 -3.860 1.00 0.00 O ATOM 227 C3' A A 8 4.526 -12.495 -2.797 1.00 0.00 C ATOM 228 O3' A A 8 3.688 -12.538 -1.637 1.00 0.00 O ATOM 229 C2' A A 8 3.660 -12.763 -4.018 1.00 0.00 C ATOM 230 O2' A A 8 2.630 -13.715 -3.732 1.00 0.00 O ATOM 231 C1' A A 8 3.079 -11.389 -4.321 1.00 0.00 C ATOM 232 N9 A A 8 2.822 -11.231 -5.766 1.00 0.00 N ATOM 233 C8 A A 8 3.683 -10.954 -6.777 1.00 0.00 C ATOM 234 N7 A A 8 3.197 -10.873 -7.970 1.00 0.00 N ATOM 235 C5 A A 8 1.841 -11.127 -7.739 1.00 0.00 C ATOM 236 C6 A A 8 0.732 -11.195 -8.588 1.00 0.00 C ATOM 237 N6 A A 8 0.809 -11.006 -9.906 1.00 0.00 N ATOM 238 N1 A A 8 -0.461 -11.467 -8.028 1.00 0.00 N ATOM 239 C2 A A 8 -0.559 -11.660 -6.712 1.00 0.00 C ATOM 240 N3 A A 8 0.423 -11.619 -5.817 1.00 0.00 N ATOM 241 C4 A A 8 1.606 -11.346 -6.402 1.00 0.00 C ATOM 0 H5' A A 8 6.863 -10.059 -3.384 1.00 0.00 H new ATOM 0 H5'' A A 8 7.021 -11.783 -3.112 1.00 0.00 H new ATOM 0 H4' A A 8 5.060 -10.533 -2.037 1.00 0.00 H new ATOM 0 H3' A A 8 5.343 -13.207 -2.682 1.00 0.00 H new ATOM 0 H2' A A 8 4.213 -13.193 -4.853 1.00 0.00 H new ATOM 0 HO2' A A 8 2.525 -13.802 -2.762 1.00 0.00 H new ATOM 0 H1' A A 8 2.121 -11.249 -3.821 1.00 0.00 H new ATOM 0 H8 A A 8 4.737 -10.807 -6.591 1.00 0.00 H new ATOM 0 H61 A A 8 -0.032 -11.067 -10.480 1.00 0.00 H new ATOM 0 H62 A A 8 1.709 -10.801 -10.340 1.00 0.00 H new ATOM 0 H2 A A 8 -1.547 -11.873 -6.331 1.00 0.00 H new ATOM 253 P G A 9 4.318 -12.369 -0.165 1.00 0.00 P ATOM 254 OP1 G A 9 5.639 -13.036 -0.144 1.00 0.00 O ATOM 255 OP2 G A 9 3.285 -12.747 0.826 1.00 0.00 O ATOM 256 O5' G A 9 4.555 -10.780 -0.063 1.00 0.00 O ATOM 257 C5' G A 9 3.933 -10.018 0.974 1.00 0.00 C ATOM 258 C4' G A 9 4.925 -9.685 2.093 1.00 0.00 C ATOM 259 O4' G A 9 6.266 -9.749 1.596 1.00 0.00 O ATOM 260 C3' G A 9 4.715 -8.269 2.644 1.00 0.00 C ATOM 261 O3' G A 9 4.272 -8.390 3.999 1.00 0.00 O ATOM 262 C2' G A 9 6.115 -7.643 2.692 1.00 0.00 C ATOM 263 O2' G A 9 6.658 -7.698 4.015 1.00 0.00 O ATOM 264 C1' G A 9 6.932 -8.490 1.731 1.00 0.00 C ATOM 265 N9 G A 9 7.084 -7.807 0.432 1.00 0.00 N ATOM 266 C8 G A 9 8.156 -7.146 -0.064 1.00 0.00 C ATOM 267 N7 G A 9 8.042 -6.600 -1.228 1.00 0.00 N ATOM 268 C5 G A 9 6.728 -6.932 -1.569 1.00 0.00 C ATOM 269 C6 G A 9 5.989 -6.623 -2.742 1.00 0.00 C ATOM 270 O6 G A 9 6.353 -5.983 -3.727 1.00 0.00 O ATOM 271 N1 G A 9 4.703 -7.145 -2.687 1.00 0.00 N ATOM 272 C2 G A 9 4.187 -7.874 -1.636 1.00 0.00 C ATOM 273 N2 G A 9 2.927 -8.290 -1.774 1.00 0.00 N ATOM 274 N3 G A 9 4.875 -8.171 -0.529 1.00 0.00 N ATOM 275 C4 G A 9 6.132 -7.672 -0.559 1.00 0.00 C ATOM 0 H5' G A 9 3.093 -10.577 1.385 1.00 0.00 H new ATOM 0 H5'' G A 9 3.529 -9.095 0.557 1.00 0.00 H new ATOM 0 H4' G A 9 4.757 -10.414 2.885 1.00 0.00 H new ATOM 0 H3' G A 9 4.005 -7.693 2.050 1.00 0.00 H new ATOM 0 H2' G A 9 6.110 -6.588 2.418 1.00 0.00 H new ATOM 0 HO2' G A 9 5.971 -8.014 4.638 1.00 0.00 H new ATOM 0 H1' G A 9 7.940 -8.647 2.114 1.00 0.00 H new ATOM 0 H8 G A 9 9.077 -7.078 0.496 1.00 0.00 H new ATOM 0 H1 G A 9 4.092 -6.976 -3.486 1.00 0.00 H new ATOM 0 H21 G A 9 2.485 -8.834 -1.033 1.00 0.00 H new ATOM 0 H22 G A 9 2.405 -8.064 -2.621 1.00 0.00 H new ATOM 287 P U A 10 2.808 -7.868 4.425 1.00 0.00 P ATOM 288 OP1 U A 10 2.121 -8.958 5.152 1.00 0.00 O ATOM 289 OP2 U A 10 2.171 -7.258 3.237 1.00 0.00 O ATOM 290 O5' U A 10 3.144 -6.695 5.477 1.00 0.00 O ATOM 291 C5' U A 10 2.256 -6.419 6.565 1.00 0.00 C ATOM 292 C4' U A 10 2.050 -4.918 6.756 1.00 0.00 C ATOM 293 O4' U A 10 0.729 -4.634 7.231 1.00 0.00 O ATOM 294 C3' U A 10 3.001 -4.367 7.808 1.00 0.00 C ATOM 295 O3' U A 10 3.235 -2.986 7.518 1.00 0.00 O ATOM 296 C2' U A 10 2.192 -4.450 9.093 1.00 0.00 C ATOM 297 O2' U A 10 2.600 -3.449 10.034 1.00 0.00 O ATOM 298 C1' U A 10 0.770 -4.204 8.601 1.00 0.00 C ATOM 299 N1 U A 10 -0.207 -4.951 9.415 1.00 0.00 N ATOM 300 C2 U A 10 -0.869 -4.259 10.411 1.00 0.00 C ATOM 301 O2 U A 10 -0.663 -3.067 10.626 1.00 0.00 O ATOM 302 N3 U A 10 -1.780 -4.989 11.154 1.00 0.00 N ATOM 303 C4 U A 10 -2.081 -6.330 10.989 1.00 0.00 C ATOM 304 O4 U A 10 -2.912 -6.878 11.709 1.00 0.00 O ATOM 305 C5 U A 10 -1.341 -6.973 9.926 1.00 0.00 C ATOM 306 C6 U A 10 -0.444 -6.280 9.186 1.00 0.00 C ATOM 0 H5' U A 10 2.657 -6.851 7.482 1.00 0.00 H new ATOM 0 H5'' U A 10 1.294 -6.898 6.381 1.00 0.00 H new ATOM 0 H4' U A 10 2.226 -4.460 5.783 1.00 0.00 H new ATOM 0 H3' U A 10 3.954 -4.894 7.855 1.00 0.00 H new ATOM 0 H2' U A 10 2.312 -5.396 9.622 1.00 0.00 H new ATOM 0 HO2' U A 10 3.576 -3.462 10.123 1.00 0.00 H new ATOM 0 H1' U A 10 0.507 -3.150 8.687 1.00 0.00 H new ATOM 0 H3 U A 10 -2.277 -4.492 11.893 1.00 0.00 H new ATOM 0 H5 U A 10 -1.506 -8.020 9.720 1.00 0.00 H new ATOM 0 H6 U A 10 0.096 -6.786 8.399 1.00 0.00 H new ATOM 317 P G A 11 4.521 -2.232 8.123 1.00 0.00 P ATOM 318 OP1 G A 11 5.052 -3.043 9.242 1.00 0.00 O ATOM 319 OP2 G A 11 4.165 -0.813 8.344 1.00 0.00 O ATOM 320 O5' G A 11 5.573 -2.303 6.907 1.00 0.00 O ATOM 321 C5' G A 11 5.472 -3.331 5.918 1.00 0.00 C ATOM 322 C4' G A 11 6.510 -3.149 4.816 1.00 0.00 C ATOM 323 O4' G A 11 6.458 -4.222 3.867 1.00 0.00 O ATOM 324 C3' G A 11 6.248 -1.875 4.024 1.00 0.00 C ATOM 325 O3' G A 11 7.079 -0.836 4.546 1.00 0.00 O ATOM 326 C2' G A 11 6.737 -2.232 2.634 1.00 0.00 C ATOM 327 O2' G A 11 8.154 -2.067 2.515 1.00 0.00 O ATOM 328 C1' G A 11 6.331 -3.693 2.538 1.00 0.00 C ATOM 329 N9 G A 11 4.947 -3.823 2.047 1.00 0.00 N ATOM 330 C8 G A 11 3.847 -4.294 2.683 1.00 0.00 C ATOM 331 N7 G A 11 2.734 -4.301 2.029 1.00 0.00 N ATOM 332 C5 G A 11 3.124 -3.769 0.796 1.00 0.00 C ATOM 333 C6 G A 11 2.354 -3.515 -0.372 1.00 0.00 C ATOM 334 O6 G A 11 1.155 -3.712 -0.552 1.00 0.00 O ATOM 335 N1 G A 11 3.133 -2.975 -1.389 1.00 0.00 N ATOM 336 C2 G A 11 4.485 -2.712 -1.299 1.00 0.00 C ATOM 337 N2 G A 11 5.058 -2.193 -2.385 1.00 0.00 N ATOM 338 N3 G A 11 5.217 -2.949 -0.206 1.00 0.00 N ATOM 339 C4 G A 11 4.480 -3.474 0.799 1.00 0.00 C ATOM 0 H5' G A 11 4.473 -3.322 5.483 1.00 0.00 H new ATOM 0 H5'' G A 11 5.606 -4.305 6.389 1.00 0.00 H new ATOM 0 H4' G A 11 7.478 -3.115 5.316 1.00 0.00 H new ATOM 0 H3' G A 11 5.210 -1.542 4.054 1.00 0.00 H new ATOM 0 H2' G A 11 6.326 -1.605 1.843 1.00 0.00 H new ATOM 0 HO2' G A 11 8.480 -1.499 3.244 1.00 0.00 H new ATOM 0 H1' G A 11 6.959 -4.237 1.832 1.00 0.00 H new ATOM 0 H8 G A 11 3.900 -4.651 3.701 1.00 0.00 H new ATOM 0 H1 G A 11 2.669 -2.756 -2.271 1.00 0.00 H new ATOM 0 H21 G A 11 6.055 -1.976 -2.382 1.00 0.00 H new ATOM 0 H22 G A 11 4.500 -2.013 -3.219 1.00 0.00 H new ATOM 351 P A A 12 6.418 0.468 5.217 1.00 0.00 P ATOM 352 OP1 A A 12 7.430 1.104 6.091 1.00 0.00 O ATOM 353 OP2 A A 12 5.099 0.087 5.772 1.00 0.00 O ATOM 354 O5' A A 12 6.172 1.427 3.949 1.00 0.00 O ATOM 355 C5' A A 12 7.222 2.269 3.466 1.00 0.00 C ATOM 356 C4' A A 12 7.077 2.558 1.976 1.00 0.00 C ATOM 357 O4' A A 12 6.637 1.407 1.258 1.00 0.00 O ATOM 358 C3' A A 12 6.012 3.604 1.718 1.00 0.00 C ATOM 359 O3' A A 12 6.618 4.899 1.766 1.00 0.00 O ATOM 360 C2' A A 12 5.604 3.319 0.277 1.00 0.00 C ATOM 361 O2' A A 12 6.406 4.060 -0.648 1.00 0.00 O ATOM 362 C1' A A 12 5.840 1.817 0.136 1.00 0.00 C ATOM 363 N9 A A 12 4.551 1.108 0.100 1.00 0.00 N ATOM 364 C8 A A 12 4.040 0.187 0.952 1.00 0.00 C ATOM 365 N7 A A 12 2.860 -0.272 0.695 1.00 0.00 N ATOM 366 C5 A A 12 2.536 0.425 -0.474 1.00 0.00 C ATOM 367 C6 A A 12 1.406 0.422 -1.300 1.00 0.00 C ATOM 368 N6 A A 12 0.337 -0.341 -1.074 1.00 0.00 N ATOM 369 N1 A A 12 1.420 1.236 -2.373 1.00 0.00 N ATOM 370 C2 A A 12 2.479 2.008 -2.621 1.00 0.00 C ATOM 371 N3 A A 12 3.597 2.090 -1.908 1.00 0.00 N ATOM 372 C4 A A 12 3.560 1.267 -0.840 1.00 0.00 C ATOM 0 H5' A A 12 8.184 1.792 3.652 1.00 0.00 H new ATOM 0 H5'' A A 12 7.219 3.208 4.020 1.00 0.00 H new ATOM 0 H4' A A 12 8.063 2.887 1.649 1.00 0.00 H new ATOM 0 H3' A A 12 5.187 3.577 2.430 1.00 0.00 H new ATOM 0 H2' A A 12 4.576 3.611 0.061 1.00 0.00 H new ATOM 0 HO2' A A 12 6.941 4.721 -0.161 1.00 0.00 H new ATOM 0 H1' A A 12 6.360 1.580 -0.792 1.00 0.00 H new ATOM 0 H8 A A 12 4.598 -0.151 1.813 1.00 0.00 H new ATOM 0 H61 A A 12 -0.460 -0.303 -1.709 1.00 0.00 H new ATOM 0 H62 A A 12 0.316 -0.963 -0.266 1.00 0.00 H new ATOM 0 H2 A A 12 2.421 2.636 -3.498 1.00 0.00 H new ATOM 384 P G A 13 5.753 6.184 2.210 1.00 0.00 P ATOM 385 OP1 G A 13 6.687 7.221 2.702 1.00 0.00 O ATOM 386 OP2 G A 13 4.647 5.718 3.076 1.00 0.00 O ATOM 387 O5' G A 13 5.124 6.692 0.815 1.00 0.00 O ATOM 388 C5' G A 13 5.799 7.680 0.031 1.00 0.00 C ATOM 389 C4' G A 13 5.201 7.800 -1.369 1.00 0.00 C ATOM 390 O4' G A 13 4.876 6.512 -1.909 1.00 0.00 O ATOM 391 C3' G A 13 3.895 8.586 -1.348 1.00 0.00 C ATOM 392 O3' G A 13 4.178 9.947 -1.681 1.00 0.00 O ATOM 393 C2' G A 13 3.110 7.967 -2.488 1.00 0.00 C ATOM 394 O2' G A 13 3.474 8.539 -3.750 1.00 0.00 O ATOM 395 C1' G A 13 3.524 6.511 -2.394 1.00 0.00 C ATOM 396 N9 G A 13 2.631 5.781 -1.475 1.00 0.00 N ATOM 397 C8 G A 13 2.851 5.368 -0.204 1.00 0.00 C ATOM 398 N7 G A 13 1.890 4.756 0.403 1.00 0.00 N ATOM 399 C5 G A 13 0.893 4.753 -0.578 1.00 0.00 C ATOM 400 C6 G A 13 -0.425 4.225 -0.533 1.00 0.00 C ATOM 401 O6 G A 13 -0.982 3.644 0.395 1.00 0.00 O ATOM 402 N1 G A 13 -1.099 4.433 -1.730 1.00 0.00 N ATOM 403 C2 G A 13 -0.573 5.070 -2.836 1.00 0.00 C ATOM 404 N2 G A 13 -1.377 5.175 -3.895 1.00 0.00 N ATOM 405 N3 G A 13 0.664 5.570 -2.887 1.00 0.00 N ATOM 406 C4 G A 13 1.340 5.379 -1.731 1.00 0.00 C ATOM 0 H5' G A 13 6.855 7.423 -0.046 1.00 0.00 H new ATOM 0 H5'' G A 13 5.741 8.645 0.535 1.00 0.00 H new ATOM 0 H4' G A 13 5.956 8.303 -1.973 1.00 0.00 H new ATOM 0 H3' G A 13 3.379 8.559 -0.388 1.00 0.00 H new ATOM 0 H2' G A 13 2.034 8.124 -2.419 1.00 0.00 H new ATOM 0 HO2' G A 13 3.896 9.411 -3.604 1.00 0.00 H new ATOM 0 H1' G A 13 3.457 6.011 -3.360 1.00 0.00 H new ATOM 0 H8 G A 13 3.798 5.545 0.285 1.00 0.00 H new ATOM 0 H1 G A 13 -2.057 4.088 -1.797 1.00 0.00 H new ATOM 0 H21 G A 13 -1.046 5.635 -4.743 1.00 0.00 H new ATOM 0 H22 G A 13 -2.323 4.795 -3.857 1.00 0.00 H new ATOM 418 P C A 14 3.290 11.137 -1.057 1.00 0.00 P ATOM 419 OP1 C A 14 3.893 12.427 -1.463 1.00 0.00 O ATOM 420 OP2 C A 14 3.066 10.845 0.376 1.00 0.00 O ATOM 421 O5' C A 14 1.888 10.971 -1.831 1.00 0.00 O ATOM 422 C5' C A 14 1.721 11.490 -3.153 1.00 0.00 C ATOM 423 C4' C A 14 0.456 10.948 -3.814 1.00 0.00 C ATOM 424 O4' C A 14 0.271 9.560 -3.528 1.00 0.00 O ATOM 425 C3' C A 14 -0.782 11.638 -3.273 1.00 0.00 C ATOM 426 O3' C A 14 -1.065 12.776 -4.094 1.00 0.00 O ATOM 427 C2' C A 14 -1.874 10.606 -3.494 1.00 0.00 C ATOM 428 O2' C A 14 -2.456 10.731 -4.795 1.00 0.00 O ATOM 429 C1' C A 14 -1.127 9.280 -3.341 1.00 0.00 C ATOM 430 N1 C A 14 -1.377 8.691 -2.011 1.00 0.00 N ATOM 431 C2 C A 14 -2.614 8.101 -1.801 1.00 0.00 C ATOM 432 O2 C A 14 -3.440 8.065 -2.709 1.00 0.00 O ATOM 433 N3 C A 14 -2.876 7.572 -0.575 1.00 0.00 N ATOM 434 C4 C A 14 -1.963 7.618 0.404 1.00 0.00 C ATOM 435 N4 C A 14 -2.253 7.093 1.594 1.00 0.00 N ATOM 436 C5 C A 14 -0.685 8.224 0.190 1.00 0.00 C ATOM 437 C6 C A 14 -0.435 8.745 -1.027 1.00 0.00 C ATOM 0 H5' C A 14 2.589 11.230 -3.759 1.00 0.00 H new ATOM 0 H5'' C A 14 1.674 12.578 -3.114 1.00 0.00 H new ATOM 0 H4' C A 14 0.582 11.122 -4.883 1.00 0.00 H new ATOM 0 H3' C A 14 -0.685 11.965 -2.238 1.00 0.00 H new ATOM 0 H2' C A 14 -2.709 10.710 -2.801 1.00 0.00 H new ATOM 0 HO2' C A 14 -1.926 11.356 -5.332 1.00 0.00 H new ATOM 0 H1' C A 14 -1.472 8.554 -4.077 1.00 0.00 H new ATOM 0 H41 C A 14 -1.565 7.123 2.346 1.00 0.00 H new ATOM 0 H42 C A 14 -3.163 6.661 1.753 1.00 0.00 H new ATOM 0 H5 C A 14 0.054 8.263 0.977 1.00 0.00 H new ATOM 0 H6 C A 14 0.520 9.209 -1.225 1.00 0.00 H new ATOM 449 P C A 15 -2.014 13.958 -3.551 1.00 0.00 P ATOM 450 OP1 C A 15 -1.839 15.135 -4.431 1.00 0.00 O ATOM 451 OP2 C A 15 -1.801 14.091 -2.093 1.00 0.00 O ATOM 452 O5' C A 15 -3.492 13.364 -3.792 1.00 0.00 O ATOM 453 C5' C A 15 -4.063 13.358 -5.103 1.00 0.00 C ATOM 454 C4' C A 15 -5.543 12.991 -5.073 1.00 0.00 C ATOM 455 O4' C A 15 -5.745 11.684 -4.526 1.00 0.00 O ATOM 456 C3' C A 15 -6.326 13.946 -4.184 1.00 0.00 C ATOM 457 O3' C A 15 -6.799 15.078 -4.921 1.00 0.00 O ATOM 458 C2' C A 15 -7.472 13.075 -3.704 1.00 0.00 C ATOM 459 O2' C A 15 -8.545 13.049 -4.654 1.00 0.00 O ATOM 460 C1' C A 15 -6.813 11.709 -3.572 1.00 0.00 C ATOM 461 N1 C A 15 -6.304 11.500 -2.206 1.00 0.00 N ATOM 462 C2 C A 15 -7.140 10.862 -1.305 1.00 0.00 C ATOM 463 O2 C A 15 -8.262 10.505 -1.654 1.00 0.00 O ATOM 464 N3 C A 15 -6.683 10.651 -0.041 1.00 0.00 N ATOM 465 C4 C A 15 -5.458 11.049 0.324 1.00 0.00 C ATOM 466 N4 C A 15 -5.042 10.825 1.570 1.00 0.00 N ATOM 467 C5 C A 15 -4.591 11.709 -0.605 1.00 0.00 C ATOM 468 C6 C A 15 -5.053 11.913 -1.853 1.00 0.00 C ATOM 0 H5' C A 15 -3.525 12.648 -5.731 1.00 0.00 H new ATOM 0 H5'' C A 15 -3.941 14.341 -5.557 1.00 0.00 H new ATOM 0 H4' C A 15 -5.886 13.040 -6.106 1.00 0.00 H new ATOM 0 H3' C A 15 -5.734 14.371 -3.373 1.00 0.00 H new ATOM 0 H2' C A 15 -7.928 13.429 -2.779 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.514 13.859 -5.205 1.00 0.00 H new ATOM 0 HO3' C A 15 -7.299 15.672 -4.323 1.00 0.00 H new ATOM 0 H1' C A 15 -7.528 10.908 -3.762 1.00 0.00 H new ATOM 0 H41 C A 15 -4.110 11.124 1.858 1.00 0.00 H new ATOM 0 H42 C A 15 -5.655 10.354 2.235 1.00 0.00 H new ATOM 0 H5 C A 15 -3.602 12.032 -0.315 1.00 0.00 H new ATOM 0 H6 C A 15 -4.427 12.408 -2.581 1.00 0.00 H new TER 481 C A 15