USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 8 C O2' : rot 180:sc= -1.08 USER MOD Single : A 8 C O5' : rot 180:sc= -0.749 USER MOD Single : A 9 C O2' : rot -21:sc= 0.12 USER MOD Single : A 10 G O2' : rot 2:sc= -1.49! USER MOD Single : A 11 U O2' : rot -168:sc= 0.672 USER MOD Single : A 12 U O2' : rot 13:sc= 0.215 USER MOD Single : A 13 G O2' : rot -23:sc= 0.176 USER MOD Single : A 14 A O2' : rot -17:sc= 0.0961 USER MOD Single : A 15 A O2' : rot -102:sc= -1.63! USER MOD Single : A 16 U O2' : rot 144:sc= 0.807 USER MOD Single : A 17 C O2' : rot 15:sc= 0.177 USER MOD Single : A 18 U O2' : rot 150:sc= 1.04 USER MOD Single : A 19 C O2' : rot -70:sc= 1.01 USER MOD Single : A 20 A O2' : rot 174:sc= -0.772! USER MOD Single : A 21 C O2' : rot -26:sc= 0.107 USER MOD Single : A 22 G O2' : rot 180:sc= -0.729 USER MOD Single : A 23 G O2' : rot -14:sc= 0.0798 USER MOD Single : A 23 G O3' : rot 180:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 7.217 -6.847 -12.768 1.00 0.00 O ATOM 2 C5' C A 8 7.656 -8.094 -13.305 1.00 0.00 C ATOM 3 C4' C A 8 8.105 -9.017 -12.193 1.00 0.00 C ATOM 4 O4' C A 8 9.341 -8.501 -11.631 1.00 0.00 O ATOM 5 C3' C A 8 7.159 -9.134 -11.004 1.00 0.00 C ATOM 6 O3' C A 8 6.167 -10.130 -11.225 1.00 0.00 O ATOM 7 C2' C A 8 8.098 -9.495 -9.860 1.00 0.00 C ATOM 8 O2' C A 8 8.426 -10.872 -9.870 1.00 0.00 O ATOM 9 C1' C A 8 9.348 -8.696 -10.227 1.00 0.00 C ATOM 10 N1 C A 8 9.427 -7.374 -9.572 1.00 0.00 N ATOM 11 C2 C A 8 10.032 -7.276 -8.306 1.00 0.00 C ATOM 12 O2 C A 8 10.487 -8.299 -7.769 1.00 0.00 O ATOM 13 N3 C A 8 10.103 -6.067 -7.703 1.00 0.00 N ATOM 14 C4 C A 8 9.602 -4.987 -8.307 1.00 0.00 C ATOM 15 N4 C A 8 9.695 -3.817 -7.672 1.00 0.00 N ATOM 16 C5 C A 8 8.984 -5.057 -9.591 1.00 0.00 C ATOM 17 C6 C A 8 8.920 -6.258 -10.181 1.00 0.00 C ATOM 0 H5' C A 8 8.477 -7.928 -14.003 1.00 0.00 H new ATOM 0 H5'' C A 8 6.848 -8.559 -13.869 1.00 0.00 H new ATOM 0 H4' C A 8 8.178 -9.995 -12.669 1.00 0.00 H new ATOM 0 H3' C A 8 6.589 -8.226 -10.809 1.00 0.00 H new ATOM 0 H2' C A 8 7.672 -9.286 -8.879 1.00 0.00 H new ATOM 0 HO2' C A 8 9.030 -11.070 -9.124 1.00 0.00 H new ATOM 0 HO5' C A 8 6.931 -6.259 -13.498 1.00 0.00 H new ATOM 0 H1' C A 8 10.210 -9.267 -9.883 1.00 0.00 H new ATOM 0 H41 C A 8 9.323 -2.971 -8.104 1.00 0.00 H new ATOM 0 H42 C A 8 10.138 -3.769 -6.755 1.00 0.00 H new ATOM 0 H5 C A 8 8.583 -4.175 -10.069 1.00 0.00 H new ATOM 0 H6 C A 8 8.460 -6.347 -11.154 1.00 0.00 H new ATOM 29 P C A 9 4.826 -10.133 -10.337 1.00 0.00 P ATOM 30 OP1 C A 9 3.938 -11.192 -10.883 1.00 0.00 O ATOM 31 OP2 C A 9 4.324 -8.738 -10.234 1.00 0.00 O ATOM 32 O5' C A 9 5.322 -10.591 -8.894 1.00 0.00 O ATOM 33 C5' C A 9 5.796 -11.916 -8.668 1.00 0.00 C ATOM 34 C4' C A 9 6.140 -12.109 -7.208 1.00 0.00 C ATOM 35 O4' C A 9 7.253 -11.242 -6.869 1.00 0.00 O ATOM 36 C3' C A 9 5.043 -11.733 -6.219 1.00 0.00 C ATOM 37 O3' C A 9 4.148 -12.817 -5.997 1.00 0.00 O ATOM 38 C2' C A 9 5.828 -11.369 -4.963 1.00 0.00 C ATOM 39 O2' C A 9 6.214 -12.525 -4.243 1.00 0.00 O ATOM 40 C1' C A 9 7.084 -10.728 -5.560 1.00 0.00 C ATOM 41 N1 C A 9 7.028 -9.254 -5.638 1.00 0.00 N ATOM 42 C2 C A 9 7.409 -8.496 -4.517 1.00 0.00 C ATOM 43 O2 C A 9 7.782 -9.080 -3.485 1.00 0.00 O ATOM 44 N3 C A 9 7.358 -7.146 -4.586 1.00 0.00 N ATOM 45 C4 C A 9 6.952 -6.549 -5.709 1.00 0.00 C ATOM 46 N4 C A 9 6.918 -5.215 -5.730 1.00 0.00 N ATOM 47 C5 C A 9 6.561 -7.292 -6.861 1.00 0.00 C ATOM 48 C6 C A 9 6.614 -8.628 -6.783 1.00 0.00 C ATOM 0 H5' C A 9 6.675 -12.105 -9.284 1.00 0.00 H new ATOM 0 H5'' C A 9 5.036 -12.637 -8.968 1.00 0.00 H new ATOM 0 H4' C A 9 6.338 -13.177 -7.117 1.00 0.00 H new ATOM 0 H3' C A 9 4.404 -10.921 -6.568 1.00 0.00 H new ATOM 0 H2' C A 9 5.261 -10.745 -4.272 1.00 0.00 H new ATOM 0 HO2' C A 9 5.635 -13.275 -4.494 1.00 0.00 H new ATOM 0 H1' C A 9 7.916 -10.972 -4.899 1.00 0.00 H new ATOM 0 H41 C A 9 6.613 -4.726 -6.571 1.00 0.00 H new ATOM 0 H42 C A 9 7.197 -4.685 -4.905 1.00 0.00 H new ATOM 0 H5 C A 9 6.234 -6.796 -7.763 1.00 0.00 H new ATOM 0 H6 C A 9 6.325 -9.222 -7.638 1.00 0.00 H new ATOM 60 P G A 10 2.641 -12.529 -5.510 1.00 0.00 P ATOM 61 OP1 G A 10 1.737 -13.419 -6.281 1.00 0.00 O ATOM 62 OP2 G A 10 2.407 -11.060 -5.524 1.00 0.00 O ATOM 63 O5' G A 10 2.630 -13.014 -3.993 1.00 0.00 O ATOM 64 C5' G A 10 1.572 -12.642 -3.112 1.00 0.00 C ATOM 65 C4' G A 10 2.115 -11.830 -1.957 1.00 0.00 C ATOM 66 O4' G A 10 3.252 -11.059 -2.407 1.00 0.00 O ATOM 67 C3' G A 10 1.170 -10.778 -1.400 1.00 0.00 C ATOM 68 O3' G A 10 0.263 -11.342 -0.459 1.00 0.00 O ATOM 69 C2' G A 10 2.112 -9.758 -0.757 1.00 0.00 C ATOM 70 O2' G A 10 2.417 -10.117 0.577 1.00 0.00 O ATOM 71 C1' G A 10 3.388 -9.912 -1.592 1.00 0.00 C ATOM 72 N9 G A 10 3.661 -8.765 -2.454 1.00 0.00 N ATOM 73 C8 G A 10 3.556 -8.716 -3.824 1.00 0.00 C ATOM 74 N7 G A 10 3.865 -7.552 -4.324 1.00 0.00 N ATOM 75 C5 G A 10 4.194 -6.779 -3.218 1.00 0.00 C ATOM 76 C6 G A 10 4.611 -5.426 -3.133 1.00 0.00 C ATOM 77 O6 G A 10 4.778 -4.612 -4.050 1.00 0.00 O ATOM 78 N1 G A 10 4.840 -5.041 -1.816 1.00 0.00 N ATOM 79 C2 G A 10 4.689 -5.854 -0.720 1.00 0.00 C ATOM 80 N2 G A 10 4.959 -5.295 0.471 1.00 0.00 N ATOM 81 N3 G A 10 4.303 -7.118 -0.782 1.00 0.00 N ATOM 82 C4 G A 10 4.074 -7.513 -2.055 1.00 0.00 C ATOM 0 H5' G A 10 1.072 -13.534 -2.735 1.00 0.00 H new ATOM 0 H5'' G A 10 0.825 -12.062 -3.654 1.00 0.00 H new ATOM 0 H4' G A 10 2.325 -12.576 -1.190 1.00 0.00 H new ATOM 0 H3' G A 10 0.531 -10.329 -2.161 1.00 0.00 H new ATOM 0 H2' G A 10 1.687 -8.755 -0.735 1.00 0.00 H new ATOM 0 HO2' G A 10 1.977 -10.965 0.796 1.00 0.00 H new ATOM 0 H1' G A 10 4.221 -9.996 -0.894 1.00 0.00 H new ATOM 0 H8 G A 10 3.248 -9.558 -4.426 1.00 0.00 H new ATOM 0 H1 G A 10 5.143 -4.081 -1.652 1.00 0.00 H new ATOM 0 H21 G A 10 4.867 -5.845 1.325 1.00 0.00 H new ATOM 0 H22 G A 10 5.257 -4.321 0.521 1.00 0.00 H new ATOM 94 P U A 11 -1.136 -10.609 -0.158 1.00 0.00 P ATOM 95 OP1 U A 11 -1.932 -11.484 0.741 1.00 0.00 O ATOM 96 OP2 U A 11 -1.713 -10.180 -1.459 1.00 0.00 O ATOM 97 O5' U A 11 -0.720 -9.302 0.652 1.00 0.00 O ATOM 98 C5' U A 11 -0.203 -9.394 1.977 1.00 0.00 C ATOM 99 C4' U A 11 -0.262 -8.043 2.654 1.00 0.00 C ATOM 100 O4' U A 11 0.430 -7.077 1.812 1.00 0.00 O ATOM 101 C3' U A 11 -1.670 -7.488 2.873 1.00 0.00 C ATOM 102 O3' U A 11 -1.852 -6.888 4.170 1.00 0.00 O ATOM 103 C2' U A 11 -1.851 -6.508 1.715 1.00 0.00 C ATOM 104 O2' U A 11 -2.689 -5.429 2.080 1.00 0.00 O ATOM 105 C1' U A 11 -0.427 -5.991 1.533 1.00 0.00 C ATOM 106 N1 U A 11 -0.130 -5.491 0.181 1.00 0.00 N ATOM 107 C2 U A 11 -0.064 -4.116 -0.005 1.00 0.00 C ATOM 108 O2 U A 11 -0.234 -3.310 0.898 1.00 0.00 O ATOM 109 N3 U A 11 0.213 -3.717 -1.290 1.00 0.00 N ATOM 110 C4 U A 11 0.425 -4.529 -2.383 1.00 0.00 C ATOM 111 O4 U A 11 0.663 -4.020 -3.480 1.00 0.00 O ATOM 112 C5 U A 11 0.342 -5.931 -2.110 1.00 0.00 C ATOM 113 C6 U A 11 0.074 -6.358 -0.872 1.00 0.00 C ATOM 0 H5' U A 11 0.827 -9.751 1.950 1.00 0.00 H new ATOM 0 H5'' U A 11 -0.778 -10.122 2.550 1.00 0.00 H new ATOM 0 H4' U A 11 0.190 -8.191 3.635 1.00 0.00 H new ATOM 0 H3' U A 11 -2.430 -8.269 2.874 1.00 0.00 H new ATOM 0 H2' U A 11 -2.303 -6.961 0.833 1.00 0.00 H new ATOM 0 HO2' U A 11 -2.942 -4.926 1.278 1.00 0.00 H new ATOM 0 H1' U A 11 -0.289 -5.140 2.199 1.00 0.00 H new ATOM 0 H3 U A 11 0.268 -2.712 -1.453 1.00 0.00 H new ATOM 0 H5 U A 11 0.496 -6.645 -2.905 1.00 0.00 H new ATOM 0 H6 U A 11 0.015 -7.421 -0.690 1.00 0.00 H new ATOM 124 P U A 12 -0.825 -5.767 4.728 1.00 0.00 P ATOM 125 OP1 U A 12 0.573 -6.123 4.377 1.00 0.00 O ATOM 126 OP2 U A 12 -1.184 -5.548 6.152 1.00 0.00 O ATOM 127 O5' U A 12 -1.216 -4.441 3.935 1.00 0.00 O ATOM 128 C5' U A 12 -0.381 -3.285 3.987 1.00 0.00 C ATOM 129 C4' U A 12 -1.216 -2.033 4.164 1.00 0.00 C ATOM 130 O4' U A 12 -1.706 -1.618 2.857 1.00 0.00 O ATOM 131 C3' U A 12 -2.454 -2.176 5.051 1.00 0.00 C ATOM 132 O3' U A 12 -2.634 -1.023 5.868 1.00 0.00 O ATOM 133 C2' U A 12 -3.592 -2.357 4.049 1.00 0.00 C ATOM 134 O2' U A 12 -4.805 -1.821 4.542 1.00 0.00 O ATOM 135 C1' U A 12 -3.111 -1.482 2.896 1.00 0.00 C ATOM 136 N1 U A 12 -3.659 -1.856 1.583 1.00 0.00 N ATOM 137 C2 U A 12 -4.774 -1.167 1.123 1.00 0.00 C ATOM 138 O2 U A 12 -5.315 -0.271 1.753 1.00 0.00 O ATOM 139 N3 U A 12 -5.234 -1.568 -0.108 1.00 0.00 N ATOM 140 C4 U A 12 -4.709 -2.560 -0.908 1.00 0.00 C ATOM 141 O4 U A 12 -5.238 -2.806 -1.994 1.00 0.00 O ATOM 142 C5 U A 12 -3.564 -3.220 -0.365 1.00 0.00 C ATOM 143 C6 U A 12 -3.087 -2.859 0.831 1.00 0.00 C ATOM 0 H5' U A 12 0.205 -3.211 3.071 1.00 0.00 H new ATOM 0 H5'' U A 12 0.326 -3.377 4.811 1.00 0.00 H new ATOM 0 H4' U A 12 -0.549 -1.321 4.651 1.00 0.00 H new ATOM 0 H3' U A 12 -2.388 -3.007 5.753 1.00 0.00 H new ATOM 0 H2' U A 12 -3.790 -3.401 3.807 1.00 0.00 H new ATOM 0 HO2' U A 12 -4.621 -1.262 5.326 1.00 0.00 H new ATOM 0 H1' U A 12 -3.450 -0.462 3.077 1.00 0.00 H new ATOM 0 H3 U A 12 -6.053 -1.078 -0.469 1.00 0.00 H new ATOM 0 H5 U A 12 -3.083 -4.011 -0.921 1.00 0.00 H new ATOM 0 H6 U A 12 -2.221 -3.373 1.222 1.00 0.00 H new ATOM 154 P G A 13 -1.956 -0.961 7.327 1.00 0.00 P ATOM 155 OP1 G A 13 -1.103 -2.164 7.529 1.00 0.00 O ATOM 156 OP2 G A 13 -3.047 -0.670 8.292 1.00 0.00 O ATOM 157 O5' G A 13 -1.023 0.331 7.257 1.00 0.00 O ATOM 158 C5' G A 13 0.399 0.220 7.290 1.00 0.00 C ATOM 159 C4' G A 13 1.015 1.114 6.238 1.00 0.00 C ATOM 160 O4' G A 13 0.394 0.846 4.962 1.00 0.00 O ATOM 161 C3' G A 13 0.792 2.606 6.432 1.00 0.00 C ATOM 162 O3' G A 13 1.736 3.158 7.345 1.00 0.00 O ATOM 163 C2' G A 13 0.946 3.169 5.018 1.00 0.00 C ATOM 164 O2' G A 13 2.301 3.453 4.729 1.00 0.00 O ATOM 165 C1' G A 13 0.508 1.991 4.140 1.00 0.00 C ATOM 166 N9 G A 13 -0.773 2.206 3.472 1.00 0.00 N ATOM 167 C8 G A 13 -1.925 1.477 3.639 1.00 0.00 C ATOM 168 N7 G A 13 -2.919 1.905 2.910 1.00 0.00 N ATOM 169 C5 G A 13 -2.393 2.985 2.214 1.00 0.00 C ATOM 170 C6 G A 13 -3.000 3.852 1.267 1.00 0.00 C ATOM 171 O6 G A 13 -4.163 3.838 0.843 1.00 0.00 O ATOM 172 N1 G A 13 -2.107 4.813 0.806 1.00 0.00 N ATOM 173 C2 G A 13 -0.798 4.928 1.204 1.00 0.00 C ATOM 174 N2 G A 13 -0.098 5.925 0.641 1.00 0.00 N ATOM 175 N3 G A 13 -0.219 4.129 2.085 1.00 0.00 N ATOM 176 C4 G A 13 -1.069 3.186 2.547 1.00 0.00 C ATOM 0 H5' G A 13 0.695 -0.815 7.117 1.00 0.00 H new ATOM 0 H5'' G A 13 0.770 0.497 8.277 1.00 0.00 H new ATOM 0 H4' G A 13 2.080 0.893 6.303 1.00 0.00 H new ATOM 0 H3' G A 13 -0.177 2.846 6.870 1.00 0.00 H new ATOM 0 H2' G A 13 0.383 4.091 4.873 1.00 0.00 H new ATOM 0 HO2' G A 13 2.792 3.589 5.566 1.00 0.00 H new ATOM 0 H1' G A 13 1.260 1.872 3.360 1.00 0.00 H new ATOM 0 H8 G A 13 -2.001 0.633 4.308 1.00 0.00 H new ATOM 0 H1 G A 13 -2.451 5.484 0.119 1.00 0.00 H new ATOM 0 H21 G A 13 0.880 6.067 0.892 1.00 0.00 H new ATOM 0 H22 G A 13 -0.544 6.541 -0.038 1.00 0.00 H new ATOM 188 P A A 14 1.515 4.644 7.926 1.00 0.00 P ATOM 189 OP1 A A 14 1.900 5.611 6.865 1.00 0.00 O ATOM 190 OP2 A A 14 2.185 4.704 9.250 1.00 0.00 O ATOM 191 O5' A A 14 -0.059 4.745 8.164 1.00 0.00 O ATOM 192 C5' A A 14 -0.734 6.001 8.115 1.00 0.00 C ATOM 193 C4' A A 14 -1.071 6.359 6.685 1.00 0.00 C ATOM 194 O4' A A 14 -1.186 5.143 5.900 1.00 0.00 O ATOM 195 C3' A A 14 -2.405 7.065 6.489 1.00 0.00 C ATOM 196 O3' A A 14 -2.279 8.472 6.670 1.00 0.00 O ATOM 197 C2' A A 14 -2.776 6.703 5.055 1.00 0.00 C ATOM 198 O2' A A 14 -2.105 7.531 4.124 1.00 0.00 O ATOM 199 C1' A A 14 -2.215 5.285 4.936 1.00 0.00 C ATOM 200 N9 A A 14 -3.204 4.226 5.156 1.00 0.00 N ATOM 201 C8 A A 14 -3.127 3.185 6.050 1.00 0.00 C ATOM 202 N7 A A 14 -4.165 2.384 6.020 1.00 0.00 N ATOM 203 C5 A A 14 -4.982 2.933 5.040 1.00 0.00 C ATOM 204 C6 A A 14 -6.235 2.548 4.531 1.00 0.00 C ATOM 205 N6 A A 14 -6.910 1.479 4.956 1.00 0.00 N ATOM 206 N1 A A 14 -6.776 3.310 3.557 1.00 0.00 N ATOM 207 C2 A A 14 -6.099 4.384 3.130 1.00 0.00 C ATOM 208 N3 A A 14 -4.916 4.847 3.531 1.00 0.00 N ATOM 209 C4 A A 14 -4.403 4.067 4.500 1.00 0.00 C ATOM 0 H5' A A 14 -0.106 6.777 8.553 1.00 0.00 H new ATOM 0 H5'' A A 14 -1.646 5.955 8.710 1.00 0.00 H new ATOM 0 H4' A A 14 -0.267 7.029 6.382 1.00 0.00 H new ATOM 0 H3' A A 14 -3.165 6.763 7.210 1.00 0.00 H new ATOM 0 H2' A A 14 -3.842 6.806 4.854 1.00 0.00 H new ATOM 0 HO2' A A 14 -1.759 8.325 4.582 1.00 0.00 H new ATOM 0 H1' A A 14 -1.859 5.167 3.912 1.00 0.00 H new ATOM 0 H8 A A 14 -2.289 3.040 6.716 1.00 0.00 H new ATOM 0 H61 A A 14 -7.816 1.252 4.546 1.00 0.00 H new ATOM 0 H62 A A 14 -6.520 0.889 5.691 1.00 0.00 H new ATOM 0 H2 A A 14 -6.580 4.956 2.350 1.00 0.00 H new ATOM 221 P A A 15 -2.683 9.141 8.079 1.00 0.00 P ATOM 222 OP1 A A 15 -1.724 10.242 8.345 1.00 0.00 O ATOM 223 OP2 A A 15 -2.857 8.063 9.089 1.00 0.00 O ATOM 224 O5' A A 15 -4.110 9.793 7.800 1.00 0.00 O ATOM 225 C5' A A 15 -5.258 8.980 7.569 1.00 0.00 C ATOM 226 C4' A A 15 -5.387 8.667 6.096 1.00 0.00 C ATOM 227 O4' A A 15 -5.543 7.228 5.944 1.00 0.00 O ATOM 228 C3' A A 15 -6.591 9.293 5.397 1.00 0.00 C ATOM 229 O3' A A 15 -6.262 9.705 4.074 1.00 0.00 O ATOM 230 C2' A A 15 -7.631 8.179 5.413 1.00 0.00 C ATOM 231 O2' A A 15 -8.463 8.231 4.277 1.00 0.00 O ATOM 232 C1' A A 15 -6.755 6.942 5.278 1.00 0.00 C ATOM 233 N9 A A 15 -7.338 5.737 5.870 1.00 0.00 N ATOM 234 C8 A A 15 -6.726 4.884 6.747 1.00 0.00 C ATOM 235 N7 A A 15 -7.477 3.877 7.123 1.00 0.00 N ATOM 236 C5 A A 15 -8.670 4.082 6.445 1.00 0.00 C ATOM 237 C6 A A 15 -9.877 3.362 6.416 1.00 0.00 C ATOM 238 N6 A A 15 -10.088 2.242 7.111 1.00 0.00 N ATOM 239 N1 A A 15 -10.873 3.838 5.638 1.00 0.00 N ATOM 240 C2 A A 15 -10.660 4.960 4.940 1.00 0.00 C ATOM 241 N3 A A 15 -9.571 5.724 4.884 1.00 0.00 N ATOM 242 C4 A A 15 -8.600 5.224 5.669 1.00 0.00 C ATOM 0 H5' A A 15 -6.153 9.494 7.919 1.00 0.00 H new ATOM 0 H5'' A A 15 -5.178 8.055 8.139 1.00 0.00 H new ATOM 0 H4' A A 15 -4.488 9.079 5.639 1.00 0.00 H new ATOM 0 H3' A A 15 -6.950 10.198 5.887 1.00 0.00 H new ATOM 0 H2' A A 15 -8.277 8.223 6.290 1.00 0.00 H new ATOM 0 HO2' A A 15 -9.324 8.631 4.520 1.00 0.00 H new ATOM 0 H1' A A 15 -6.628 6.731 4.216 1.00 0.00 H new ATOM 0 H8 A A 15 -5.715 5.027 7.098 1.00 0.00 H new ATOM 0 H61 A A 15 -10.987 1.764 7.048 1.00 0.00 H new ATOM 0 H62 A A 15 -9.350 1.864 7.705 1.00 0.00 H new ATOM 0 H2 A A 15 -11.491 5.293 4.336 1.00 0.00 H new ATOM 254 P U A 16 -7.055 10.930 3.392 1.00 0.00 P ATOM 255 OP1 U A 16 -6.135 11.543 2.399 1.00 0.00 O ATOM 256 OP2 U A 16 -7.656 11.781 4.454 1.00 0.00 O ATOM 257 O5' U A 16 -8.240 10.229 2.589 1.00 0.00 O ATOM 258 C5' U A 16 -7.967 9.282 1.559 1.00 0.00 C ATOM 259 C4' U A 16 -9.259 8.751 0.981 1.00 0.00 C ATOM 260 O4' U A 16 -10.052 8.166 2.053 1.00 0.00 O ATOM 261 C3' U A 16 -10.153 9.801 0.323 1.00 0.00 C ATOM 262 O3' U A 16 -10.744 9.296 -0.870 1.00 0.00 O ATOM 263 C2' U A 16 -11.188 10.116 1.400 1.00 0.00 C ATOM 264 O2' U A 16 -12.435 10.472 0.831 1.00 0.00 O ATOM 265 C1' U A 16 -11.336 8.756 2.077 1.00 0.00 C ATOM 266 N1 U A 16 -11.804 8.807 3.474 1.00 0.00 N ATOM 267 C2 U A 16 -13.159 9.020 3.711 1.00 0.00 C ATOM 268 O2 U A 16 -13.980 9.164 2.817 1.00 0.00 O ATOM 269 N3 U A 16 -13.515 9.059 5.037 1.00 0.00 N ATOM 270 C4 U A 16 -12.681 8.910 6.126 1.00 0.00 C ATOM 271 O4 U A 16 -13.152 8.970 7.263 1.00 0.00 O ATOM 272 C5 U A 16 -11.307 8.693 5.797 1.00 0.00 C ATOM 273 C6 U A 16 -10.923 8.649 4.521 1.00 0.00 C ATOM 0 H5' U A 16 -7.374 8.459 1.959 1.00 0.00 H new ATOM 0 H5'' U A 16 -7.374 9.750 0.773 1.00 0.00 H new ATOM 0 H4' U A 16 -8.952 8.041 0.213 1.00 0.00 H new ATOM 0 H3' U A 16 -9.611 10.692 0.005 1.00 0.00 H new ATOM 0 H2' U A 16 -10.896 10.942 2.048 1.00 0.00 H new ATOM 0 HO2' U A 16 -13.161 10.118 1.386 1.00 0.00 H new ATOM 0 H1' U A 16 -12.098 8.193 1.538 1.00 0.00 H new ATOM 0 H3 U A 16 -14.503 9.215 5.238 1.00 0.00 H new ATOM 0 H5 U A 16 -10.578 8.564 6.584 1.00 0.00 H new ATOM 0 H6 U A 16 -9.879 8.483 4.299 1.00 0.00 H new ATOM 284 P C A 17 -10.554 10.092 -2.259 1.00 0.00 P ATOM 285 OP1 C A 17 -10.528 11.551 -1.972 1.00 0.00 O ATOM 286 OP2 C A 17 -11.563 9.554 -3.207 1.00 0.00 O ATOM 287 O5' C A 17 -9.108 9.668 -2.787 1.00 0.00 O ATOM 288 C5' C A 17 -8.420 8.534 -2.256 1.00 0.00 C ATOM 289 C4' C A 17 -8.555 7.347 -3.191 1.00 0.00 C ATOM 290 O4' C A 17 -8.249 6.135 -2.445 1.00 0.00 O ATOM 291 C3' C A 17 -9.943 7.110 -3.781 1.00 0.00 C ATOM 292 O3' C A 17 -9.869 6.515 -5.078 1.00 0.00 O ATOM 293 C2' C A 17 -10.595 6.182 -2.761 1.00 0.00 C ATOM 294 O2' C A 17 -11.565 5.349 -3.366 1.00 0.00 O ATOM 295 C1' C A 17 -9.404 5.321 -2.348 1.00 0.00 C ATOM 296 N1 C A 17 -9.485 4.789 -0.975 1.00 0.00 N ATOM 297 C2 C A 17 -9.766 3.426 -0.789 1.00 0.00 C ATOM 298 O2 C A 17 -9.953 2.704 -1.784 1.00 0.00 O ATOM 299 N3 C A 17 -9.828 2.930 0.467 1.00 0.00 N ATOM 300 C4 C A 17 -9.622 3.733 1.513 1.00 0.00 C ATOM 301 N4 C A 17 -9.689 3.197 2.733 1.00 0.00 N ATOM 302 C5 C A 17 -9.339 5.122 1.356 1.00 0.00 C ATOM 303 C6 C A 17 -9.283 5.605 0.106 1.00 0.00 C ATOM 0 H5' C A 17 -8.825 8.281 -1.276 1.00 0.00 H new ATOM 0 H5'' C A 17 -7.366 8.774 -2.113 1.00 0.00 H new ATOM 0 H4' C A 17 -7.878 7.575 -4.015 1.00 0.00 H new ATOM 0 H3' C A 17 -10.507 8.030 -3.937 1.00 0.00 H new ATOM 0 H2' C A 17 -11.104 6.713 -1.956 1.00 0.00 H new ATOM 0 HO2' C A 17 -11.457 5.376 -4.340 1.00 0.00 H new ATOM 0 H1' C A 17 -9.382 4.454 -3.008 1.00 0.00 H new ATOM 0 H41 C A 17 -9.537 3.781 3.556 1.00 0.00 H new ATOM 0 H42 C A 17 -9.892 2.204 2.843 1.00 0.00 H new ATOM 0 H5 C A 17 -9.176 5.761 2.211 1.00 0.00 H new ATOM 0 H6 C A 17 -9.075 6.653 -0.050 1.00 0.00 H new ATOM 315 P U A 18 -9.301 7.363 -6.326 1.00 0.00 P ATOM 316 OP1 U A 18 -9.413 8.811 -6.004 1.00 0.00 O ATOM 317 OP2 U A 18 -9.937 6.839 -7.561 1.00 0.00 O ATOM 318 O5' U A 18 -7.753 6.990 -6.370 1.00 0.00 O ATOM 319 C5' U A 18 -7.329 5.657 -6.646 1.00 0.00 C ATOM 320 C4' U A 18 -5.821 5.557 -6.552 1.00 0.00 C ATOM 321 O4' U A 18 -5.469 5.074 -5.225 1.00 0.00 O ATOM 322 C3' U A 18 -5.171 4.578 -7.527 1.00 0.00 C ATOM 323 O3' U A 18 -3.877 5.025 -7.927 1.00 0.00 O ATOM 324 C2' U A 18 -5.100 3.282 -6.725 1.00 0.00 C ATOM 325 O2' U A 18 -4.003 2.483 -7.127 1.00 0.00 O ATOM 326 C1' U A 18 -4.823 3.817 -5.320 1.00 0.00 C ATOM 327 N1 U A 18 -5.311 2.958 -4.227 1.00 0.00 N ATOM 328 C2 U A 18 -4.643 1.764 -3.974 1.00 0.00 C ATOM 329 O2 U A 18 -3.672 1.392 -4.616 1.00 0.00 O ATOM 330 N3 U A 18 -5.154 1.022 -2.938 1.00 0.00 N ATOM 331 C4 U A 18 -6.238 1.338 -2.146 1.00 0.00 C ATOM 332 O4 U A 18 -6.580 0.563 -1.250 1.00 0.00 O ATOM 333 C5 U A 18 -6.870 2.578 -2.468 1.00 0.00 C ATOM 334 C6 U A 18 -6.402 3.329 -3.471 1.00 0.00 C ATOM 0 H5' U A 18 -7.659 5.362 -7.642 1.00 0.00 H new ATOM 0 H5'' U A 18 -7.791 4.967 -5.940 1.00 0.00 H new ATOM 0 H4' U A 18 -5.459 6.558 -6.785 1.00 0.00 H new ATOM 0 H3' U A 18 -5.727 4.467 -8.458 1.00 0.00 H new ATOM 0 H2' U A 18 -5.990 2.661 -6.832 1.00 0.00 H new ATOM 0 HO2' U A 18 -3.682 1.960 -6.363 1.00 0.00 H new ATOM 0 H1' U A 18 -3.741 3.868 -5.197 1.00 0.00 H new ATOM 0 H3 U A 18 -4.681 0.142 -2.732 1.00 0.00 H new ATOM 0 H5 U A 18 -7.727 2.910 -1.901 1.00 0.00 H new ATOM 0 H6 U A 18 -6.898 4.261 -3.697 1.00 0.00 H new ATOM 345 P C A 19 -3.727 6.117 -9.100 1.00 0.00 P ATOM 346 OP1 C A 19 -5.062 6.706 -9.382 1.00 0.00 O ATOM 347 OP2 C A 19 -2.953 5.497 -10.205 1.00 0.00 O ATOM 348 O5' C A 19 -2.825 7.255 -8.444 1.00 0.00 O ATOM 349 C5' C A 19 -3.268 7.959 -7.286 1.00 0.00 C ATOM 350 C4' C A 19 -2.101 8.243 -6.366 1.00 0.00 C ATOM 351 O4' C A 19 -2.617 8.851 -5.152 1.00 0.00 O ATOM 352 C3' C A 19 -1.325 7.019 -5.895 1.00 0.00 C ATOM 353 O3' C A 19 -0.285 6.686 -6.815 1.00 0.00 O ATOM 354 C2' C A 19 -0.787 7.458 -4.535 1.00 0.00 C ATOM 355 O2' C A 19 0.380 8.246 -4.674 1.00 0.00 O ATOM 356 C1' C A 19 -1.919 8.350 -4.025 1.00 0.00 C ATOM 357 N1 C A 19 -2.884 7.650 -3.152 1.00 0.00 N ATOM 358 C2 C A 19 -2.527 7.363 -1.820 1.00 0.00 C ATOM 359 O2 C A 19 -1.408 7.709 -1.401 1.00 0.00 O ATOM 360 N3 C A 19 -3.413 6.718 -1.026 1.00 0.00 N ATOM 361 C4 C A 19 -4.607 6.363 -1.507 1.00 0.00 C ATOM 362 N4 C A 19 -5.444 5.723 -0.687 1.00 0.00 N ATOM 363 C5 C A 19 -4.996 6.645 -2.850 1.00 0.00 C ATOM 364 C6 C A 19 -4.113 7.281 -3.628 1.00 0.00 C ATOM 0 H5' C A 19 -4.020 7.371 -6.760 1.00 0.00 H new ATOM 0 H5'' C A 19 -3.744 8.894 -7.581 1.00 0.00 H new ATOM 0 H4' C A 19 -1.427 8.868 -6.952 1.00 0.00 H new ATOM 0 H3' C A 19 -1.928 6.114 -5.829 1.00 0.00 H new ATOM 0 H2' C A 19 -0.523 6.619 -3.891 1.00 0.00 H new ATOM 0 HO2' C A 19 1.120 7.683 -4.982 1.00 0.00 H new ATOM 0 H1' C A 19 -1.466 9.137 -3.423 1.00 0.00 H new ATOM 0 H41 C A 19 -6.365 5.436 -1.020 1.00 0.00 H new ATOM 0 H42 C A 19 -5.163 5.521 0.272 1.00 0.00 H new ATOM 0 H5 C A 19 -5.967 6.356 -3.225 1.00 0.00 H new ATOM 0 H6 C A 19 -4.375 7.508 -4.651 1.00 0.00 H new ATOM 376 P A A 20 0.683 5.433 -6.519 1.00 0.00 P ATOM 377 OP1 A A 20 1.440 5.135 -7.761 1.00 0.00 O ATOM 378 OP2 A A 20 -0.129 4.362 -5.881 1.00 0.00 O ATOM 379 O5' A A 20 1.711 5.993 -5.437 1.00 0.00 O ATOM 380 C5' A A 20 2.475 5.111 -4.620 1.00 0.00 C ATOM 381 C4' A A 20 2.320 5.487 -3.162 1.00 0.00 C ATOM 382 O4' A A 20 0.984 5.108 -2.725 1.00 0.00 O ATOM 383 C3' A A 20 3.278 4.794 -2.195 1.00 0.00 C ATOM 384 O3' A A 20 3.648 5.658 -1.125 1.00 0.00 O ATOM 385 C2' A A 20 2.487 3.587 -1.725 1.00 0.00 C ATOM 386 O2' A A 20 2.854 3.198 -0.416 1.00 0.00 O ATOM 387 C1' A A 20 1.069 4.144 -1.692 1.00 0.00 C ATOM 388 N9 A A 20 0.041 3.125 -1.916 1.00 0.00 N ATOM 389 C8 A A 20 -1.171 3.291 -2.522 1.00 0.00 C ATOM 390 N7 A A 20 -1.889 2.195 -2.588 1.00 0.00 N ATOM 391 C5 A A 20 -1.087 1.237 -1.984 1.00 0.00 C ATOM 392 C6 A A 20 -1.264 -0.136 -1.737 1.00 0.00 C ATOM 393 N6 A A 20 -2.362 -0.816 -2.078 1.00 0.00 N ATOM 394 N1 A A 20 -0.258 -0.796 -1.119 1.00 0.00 N ATOM 395 C2 A A 20 0.842 -0.109 -0.777 1.00 0.00 C ATOM 396 N3 A A 20 1.113 1.172 -0.944 1.00 0.00 N ATOM 397 C4 A A 20 0.103 1.798 -1.563 1.00 0.00 C ATOM 0 H5' A A 20 3.526 5.157 -4.906 1.00 0.00 H new ATOM 0 H5'' A A 20 2.147 4.083 -4.775 1.00 0.00 H new ATOM 0 H4' A A 20 2.529 6.556 -3.129 1.00 0.00 H new ATOM 0 H3' A A 20 4.226 4.511 -2.652 1.00 0.00 H new ATOM 0 H2' A A 20 2.635 2.711 -2.356 1.00 0.00 H new ATOM 0 HO2' A A 20 2.264 2.477 -0.112 1.00 0.00 H new ATOM 0 H1' A A 20 0.884 4.560 -0.702 1.00 0.00 H new ATOM 0 H8 A A 20 -1.509 4.240 -2.912 1.00 0.00 H new ATOM 0 H61 A A 20 -2.430 -1.812 -1.871 1.00 0.00 H new ATOM 0 H62 A A 20 -3.133 -0.339 -2.546 1.00 0.00 H new ATOM 0 H2 A A 20 1.617 -0.687 -0.296 1.00 0.00 H new ATOM 409 P C A 21 5.126 5.570 -0.497 1.00 0.00 P ATOM 410 OP1 C A 21 5.296 6.754 0.382 1.00 0.00 O ATOM 411 OP2 C A 21 6.096 5.329 -1.599 1.00 0.00 O ATOM 412 O5' C A 21 5.070 4.277 0.433 1.00 0.00 O ATOM 413 C5' C A 21 6.227 3.473 0.645 1.00 0.00 C ATOM 414 C4' C A 21 5.915 2.353 1.611 1.00 0.00 C ATOM 415 O4' C A 21 4.644 1.749 1.250 1.00 0.00 O ATOM 416 C3' C A 21 6.910 1.204 1.594 1.00 0.00 C ATOM 417 O3' C A 21 8.003 1.454 2.472 1.00 0.00 O ATOM 418 C2' C A 21 6.068 0.017 2.045 1.00 0.00 C ATOM 419 O2' C A 21 5.922 -0.004 3.453 1.00 0.00 O ATOM 420 C1' C A 21 4.707 0.342 1.419 1.00 0.00 C ATOM 421 N1 C A 21 4.439 -0.294 0.103 1.00 0.00 N ATOM 422 C2 C A 21 4.742 -1.664 -0.095 1.00 0.00 C ATOM 423 O2 C A 21 5.213 -2.332 0.841 1.00 0.00 O ATOM 424 N3 C A 21 4.507 -2.219 -1.305 1.00 0.00 N ATOM 425 C4 C A 21 3.989 -1.483 -2.291 1.00 0.00 C ATOM 426 N4 C A 21 3.778 -2.078 -3.468 1.00 0.00 N ATOM 427 C5 C A 21 3.662 -0.107 -2.117 1.00 0.00 C ATOM 428 C6 C A 21 3.898 0.441 -0.916 1.00 0.00 C ATOM 0 H5' C A 21 7.038 4.086 1.038 1.00 0.00 H new ATOM 0 H5'' C A 21 6.570 3.060 -0.303 1.00 0.00 H new ATOM 0 H4' C A 21 5.930 2.824 2.594 1.00 0.00 H new ATOM 0 H3' C A 21 7.373 1.043 0.621 1.00 0.00 H new ATOM 0 H2' C A 21 6.499 -0.943 1.760 1.00 0.00 H new ATOM 0 HO2' C A 21 6.683 0.454 3.868 1.00 0.00 H new ATOM 0 H1' C A 21 3.953 -0.058 2.097 1.00 0.00 H new ATOM 0 H41 C A 21 3.384 -1.547 -4.244 1.00 0.00 H new ATOM 0 H42 C A 21 4.011 -3.063 -3.590 1.00 0.00 H new ATOM 0 H5 C A 21 3.239 0.474 -2.923 1.00 0.00 H new ATOM 0 H6 C A 21 3.657 1.481 -0.750 1.00 0.00 H new ATOM 440 P G A 22 9.505 1.496 1.894 1.00 0.00 P ATOM 441 OP1 G A 22 10.274 2.483 2.695 1.00 0.00 O ATOM 442 OP2 G A 22 9.443 1.645 0.416 1.00 0.00 O ATOM 443 O5' G A 22 10.078 0.044 2.212 1.00 0.00 O ATOM 444 C5' G A 22 10.259 -0.395 3.556 1.00 0.00 C ATOM 445 C4' G A 22 10.165 -1.902 3.630 1.00 0.00 C ATOM 446 O4' G A 22 8.897 -2.319 3.057 1.00 0.00 O ATOM 447 C3' G A 22 11.214 -2.662 2.830 1.00 0.00 C ATOM 448 O3' G A 22 12.412 -2.842 3.575 1.00 0.00 O ATOM 449 C2' G A 22 10.514 -3.984 2.534 1.00 0.00 C ATOM 450 O2' G A 22 10.551 -4.850 3.653 1.00 0.00 O ATOM 451 C1' G A 22 9.074 -3.519 2.324 1.00 0.00 C ATOM 452 N9 G A 22 8.743 -3.256 0.925 1.00 0.00 N ATOM 453 C8 G A 22 8.569 -2.028 0.333 1.00 0.00 C ATOM 454 N7 G A 22 8.278 -2.104 -0.936 1.00 0.00 N ATOM 455 C5 G A 22 8.259 -3.467 -1.203 1.00 0.00 C ATOM 456 C6 G A 22 8.002 -4.161 -2.413 1.00 0.00 C ATOM 457 O6 G A 22 7.731 -3.694 -3.526 1.00 0.00 O ATOM 458 N1 G A 22 8.084 -5.539 -2.240 1.00 0.00 N ATOM 459 C2 G A 22 8.376 -6.168 -1.055 1.00 0.00 C ATOM 460 N2 G A 22 8.410 -7.508 -1.091 1.00 0.00 N ATOM 461 N3 G A 22 8.618 -5.534 0.080 1.00 0.00 N ATOM 462 C4 G A 22 8.543 -4.193 -0.065 1.00 0.00 C ATOM 0 H5' G A 22 9.503 0.056 4.199 1.00 0.00 H new ATOM 0 H5'' G A 22 11.230 -0.065 3.926 1.00 0.00 H new ATOM 0 H4' G A 22 10.298 -2.132 4.687 1.00 0.00 H new ATOM 0 H3' G A 22 11.536 -2.141 1.928 1.00 0.00 H new ATOM 0 H2' G A 22 10.962 -4.532 1.705 1.00 0.00 H new ATOM 0 HO2' G A 22 10.093 -5.688 3.433 1.00 0.00 H new ATOM 0 H1' G A 22 8.417 -4.321 2.660 1.00 0.00 H new ATOM 0 H8 G A 22 8.664 -1.093 0.866 1.00 0.00 H new ATOM 0 H1 G A 22 7.914 -6.127 -3.056 1.00 0.00 H new ATOM 0 H21 G A 22 8.621 -8.036 -0.244 1.00 0.00 H new ATOM 0 H22 G A 22 8.225 -8.000 -1.965 1.00 0.00 H new ATOM 474 P G A 23 13.798 -3.107 2.805 1.00 0.00 P ATOM 475 OP1 G A 23 14.870 -3.265 3.821 1.00 0.00 O ATOM 476 OP2 G A 23 13.933 -2.065 1.754 1.00 0.00 O ATOM 477 O5' G A 23 13.573 -4.508 2.081 1.00 0.00 O ATOM 478 C5' G A 23 13.516 -5.720 2.831 1.00 0.00 C ATOM 479 C4' G A 23 13.387 -6.906 1.902 1.00 0.00 C ATOM 480 O4' G A 23 12.165 -6.771 1.133 1.00 0.00 O ATOM 481 C3' G A 23 14.480 -7.042 0.851 1.00 0.00 C ATOM 482 O3' G A 23 15.636 -7.712 1.358 1.00 0.00 O ATOM 483 C2' G A 23 13.790 -7.832 -0.256 1.00 0.00 C ATOM 484 O2' G A 23 13.777 -9.219 0.031 1.00 0.00 O ATOM 485 C1' G A 23 12.355 -7.308 -0.165 1.00 0.00 C ATOM 486 N9 G A 23 12.051 -6.268 -1.146 1.00 0.00 N ATOM 487 C8 G A 23 11.917 -4.920 -0.916 1.00 0.00 C ATOM 488 N7 G A 23 11.641 -4.238 -1.993 1.00 0.00 N ATOM 489 C5 G A 23 11.590 -5.192 -3.000 1.00 0.00 C ATOM 490 C6 G A 23 11.330 -5.049 -4.388 1.00 0.00 C ATOM 491 O6 G A 23 11.084 -4.017 -5.024 1.00 0.00 O ATOM 492 N1 G A 23 11.375 -6.275 -5.045 1.00 0.00 N ATOM 493 C2 G A 23 11.636 -7.482 -4.446 1.00 0.00 C ATOM 494 N2 G A 23 11.636 -8.553 -5.252 1.00 0.00 N ATOM 495 N3 G A 23 11.878 -7.630 -3.154 1.00 0.00 N ATOM 496 C4 G A 23 11.840 -6.451 -2.495 1.00 0.00 C ATOM 0 H5' G A 23 12.669 -5.692 3.516 1.00 0.00 H new ATOM 0 H5'' G A 23 14.415 -5.822 3.439 1.00 0.00 H new ATOM 0 H4' G A 23 13.430 -7.769 2.566 1.00 0.00 H new ATOM 0 H3' G A 23 14.867 -6.082 0.509 1.00 0.00 H new ATOM 0 H2' G A 23 14.275 -7.715 -1.225 1.00 0.00 H new ATOM 0 HO2' G A 23 14.405 -9.408 0.759 1.00 0.00 H new ATOM 0 HO3' G A 23 16.311 -7.779 0.651 1.00 0.00 H new ATOM 0 H1' G A 23 11.688 -8.145 -0.372 1.00 0.00 H new ATOM 0 H8 G A 23 12.029 -4.470 0.059 1.00 0.00 H new ATOM 0 H1 G A 23 11.200 -6.277 -6.050 1.00 0.00 H new ATOM 0 H21 G A 23 11.823 -9.480 -4.869 1.00 0.00 H new ATOM 0 H22 G A 23 11.449 -8.441 -6.248 1.00 0.00 H new TER 508 G A 23