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= -1.13 USER MOD Single : A 8 C O5' : rot 180:sc= -0.677 USER MOD Single : A 9 C O2' : rot -16:sc= 0.112 USER MOD Single : A 10 G O2' : rot -176:sc= -1.26 USER MOD Single : A 11 U O2' : rot -117:sc= 1.3 USER MOD Single : A 12 U O2' : rot -28:sc= 0.831 USER MOD Single : A 13 G O2' : rot 168:sc= -4.37! USER MOD Single : A 14 A O2' : rot -20:sc= 0.125 USER MOD Single : A 15 A O2' : rot -107:sc= -3.52! USER MOD Single : A 16 U O2' : rot 139:sc= 0.245 USER MOD Single : A 17 C O2' : rot 63:sc= -1.48! USER MOD Single : A 18 U O2' : rot 144:sc= 1.12 USER MOD Single : A 19 C O2' : rot -72:sc= 0.507 USER MOD Single : A 20 A O2' : rot 114:sc= 0.989 USER MOD Single : A 21 C O2' : rot -67:sc= 0.469 USER MOD Single : A 22 G O2' : rot 180:sc= -1.06 USER MOD Single : A 23 G O2' : rot -19:sc= 0.0924 USER MOD Single : A 23 G O3' : rot 180:sc= 0.0936 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 8.771 -7.218 -12.685 1.00 0.00 O ATOM 2 C5' C A 8 9.452 -8.432 -12.998 1.00 0.00 C ATOM 3 C4' C A 8 9.890 -9.132 -11.731 1.00 0.00 C ATOM 4 O4' C A 8 10.945 -8.354 -11.106 1.00 0.00 O ATOM 5 C3' C A 8 8.825 -9.275 -10.649 1.00 0.00 C ATOM 6 O3' C A 8 8.039 -10.446 -10.845 1.00 0.00 O ATOM 7 C2' C A 8 9.649 -9.340 -9.369 1.00 0.00 C ATOM 8 O2' C A 8 10.183 -10.635 -9.160 1.00 0.00 O ATOM 9 C1' C A 8 10.799 -8.390 -9.697 1.00 0.00 C ATOM 10 N1 C A 8 10.592 -7.011 -9.210 1.00 0.00 N ATOM 11 C2 C A 8 10.999 -6.683 -7.904 1.00 0.00 C ATOM 12 O2 C A 8 11.527 -7.557 -7.195 1.00 0.00 O ATOM 13 N3 C A 8 10.809 -5.424 -7.451 1.00 0.00 N ATOM 14 C4 C A 8 10.239 -4.509 -8.240 1.00 0.00 C ATOM 15 N4 C A 8 10.070 -3.280 -7.748 1.00 0.00 N ATOM 16 C5 C A 8 9.818 -4.813 -9.569 1.00 0.00 C ATOM 17 C6 C A 8 10.013 -6.063 -10.008 1.00 0.00 C ATOM 0 H5' C A 8 10.320 -8.219 -13.622 1.00 0.00 H new ATOM 0 H5'' C A 8 8.797 -9.086 -13.575 1.00 0.00 H new ATOM 0 H4' C A 8 10.178 -10.129 -12.064 1.00 0.00 H new ATOM 0 H3' C A 8 8.100 -8.461 -10.641 1.00 0.00 H new ATOM 0 H2' C A 8 9.071 -9.095 -8.478 1.00 0.00 H new ATOM 0 HO2' C A 8 10.707 -10.643 -8.332 1.00 0.00 H new ATOM 0 HO5' C A 8 8.495 -6.775 -13.514 1.00 0.00 H new ATOM 0 H1' C A 8 11.687 -8.769 -9.191 1.00 0.00 H new ATOM 0 H41 C A 8 9.638 -2.556 -8.322 1.00 0.00 H new ATOM 0 H42 C A 8 10.373 -3.065 -6.798 1.00 0.00 H new ATOM 0 H5 C A 8 9.360 -4.063 -10.197 1.00 0.00 H new ATOM 0 H6 C A 8 9.708 -6.327 -11.010 1.00 0.00 H new ATOM 29 P C A 9 6.614 -10.583 -10.113 1.00 0.00 P ATOM 30 OP1 C A 9 5.990 -11.841 -10.597 1.00 0.00 O ATOM 31 OP2 C A 9 5.881 -9.298 -10.261 1.00 0.00 O ATOM 32 O5' C A 9 6.988 -10.769 -8.575 1.00 0.00 O ATOM 33 C5' C A 9 7.626 -11.959 -8.114 1.00 0.00 C ATOM 34 C4' C A 9 7.806 -11.911 -6.614 1.00 0.00 C ATOM 35 O4' C A 9 8.697 -10.812 -6.285 1.00 0.00 O ATOM 36 C3' C A 9 6.542 -11.637 -5.809 1.00 0.00 C ATOM 37 O3' C A 9 5.836 -12.838 -5.517 1.00 0.00 O ATOM 38 C2' C A 9 7.078 -10.976 -4.543 1.00 0.00 C ATOM 39 O2' C A 9 7.553 -11.940 -3.623 1.00 0.00 O ATOM 40 C1' C A 9 8.274 -10.192 -5.083 1.00 0.00 C ATOM 41 N1 C A 9 7.989 -8.771 -5.363 1.00 0.00 N ATOM 42 C2 C A 9 8.076 -7.836 -4.315 1.00 0.00 C ATOM 43 O2 C A 9 8.385 -8.227 -3.176 1.00 0.00 O ATOM 44 N3 C A 9 7.820 -6.534 -4.573 1.00 0.00 N ATOM 45 C4 C A 9 7.491 -6.148 -5.808 1.00 0.00 C ATOM 46 N4 C A 9 7.248 -4.852 -6.013 1.00 0.00 N ATOM 47 C5 C A 9 7.396 -7.073 -6.888 1.00 0.00 C ATOM 48 C6 C A 9 7.649 -8.360 -6.623 1.00 0.00 C ATOM 0 H5' C A 9 8.595 -12.072 -8.600 1.00 0.00 H new ATOM 0 H5'' C A 9 7.029 -12.829 -8.388 1.00 0.00 H new ATOM 0 H4' C A 9 8.174 -12.903 -6.354 1.00 0.00 H new ATOM 0 H3' C A 9 5.822 -11.016 -6.342 1.00 0.00 H new ATOM 0 H2' C A 9 6.326 -10.385 -4.020 1.00 0.00 H new ATOM 0 HO2' C A 9 7.213 -12.825 -3.872 1.00 0.00 H new ATOM 0 H1' C A 9 9.040 -10.206 -4.308 1.00 0.00 H new ATOM 0 H41 C A 9 6.994 -4.522 -6.944 1.00 0.00 H new ATOM 0 H42 C A 9 7.316 -4.192 -5.239 1.00 0.00 H new ATOM 0 H5 C A 9 7.130 -6.748 -7.883 1.00 0.00 H new ATOM 0 H6 C A 9 7.584 -9.088 -7.418 1.00 0.00 H new ATOM 60 P G A 10 4.435 -13.144 -6.248 1.00 0.00 P ATOM 61 OP1 G A 10 4.719 -13.997 -7.431 1.00 0.00 O ATOM 62 OP2 G A 10 3.712 -11.857 -6.431 1.00 0.00 O ATOM 63 O5' G A 10 3.638 -14.029 -5.187 1.00 0.00 O ATOM 64 C5' G A 10 2.829 -13.426 -4.175 1.00 0.00 C ATOM 65 C4' G A 10 3.687 -13.008 -3.000 1.00 0.00 C ATOM 66 O4' G A 10 4.507 -11.876 -3.409 1.00 0.00 O ATOM 67 C3' G A 10 2.926 -12.540 -1.762 1.00 0.00 C ATOM 68 O3' G A 10 3.604 -12.925 -0.568 1.00 0.00 O ATOM 69 C2' G A 10 2.869 -11.026 -1.939 1.00 0.00 C ATOM 70 O2' G A 10 2.846 -10.359 -0.696 1.00 0.00 O ATOM 71 C1' G A 10 4.213 -10.752 -2.604 1.00 0.00 C ATOM 72 N9 G A 10 4.211 -9.558 -3.445 1.00 0.00 N ATOM 73 C8 G A 10 4.183 -9.517 -4.817 1.00 0.00 C ATOM 74 N7 G A 10 4.166 -8.305 -5.298 1.00 0.00 N ATOM 75 C5 G A 10 4.192 -7.491 -4.173 1.00 0.00 C ATOM 76 C6 G A 10 4.188 -6.074 -4.063 1.00 0.00 C ATOM 77 O6 G A 10 4.156 -5.230 -4.967 1.00 0.00 O ATOM 78 N1 G A 10 4.224 -5.665 -2.735 1.00 0.00 N ATOM 79 C2 G A 10 4.258 -6.505 -1.650 1.00 0.00 C ATOM 80 N2 G A 10 4.297 -5.914 -0.447 1.00 0.00 N ATOM 81 N3 G A 10 4.258 -7.826 -1.737 1.00 0.00 N ATOM 82 C4 G A 10 4.224 -8.247 -3.020 1.00 0.00 C ATOM 0 H5' G A 10 2.064 -14.128 -3.844 1.00 0.00 H new ATOM 0 H5'' G A 10 2.310 -12.558 -4.583 1.00 0.00 H new ATOM 0 H4' G A 10 4.244 -13.904 -2.727 1.00 0.00 H new ATOM 0 H3' G A 10 1.934 -12.981 -1.667 1.00 0.00 H new ATOM 0 H2' G A 10 1.987 -10.694 -2.487 1.00 0.00 H new ATOM 0 HO2' G A 10 2.739 -9.396 -0.843 1.00 0.00 H new ATOM 0 H1' G A 10 4.955 -10.579 -1.825 1.00 0.00 H new ATOM 0 H8 G A 10 4.176 -10.401 -5.437 1.00 0.00 H new ATOM 0 H1 G A 10 4.225 -4.661 -2.552 1.00 0.00 H new ATOM 0 H21 G A 10 4.324 -6.482 0.400 1.00 0.00 H new ATOM 0 H22 G A 10 4.300 -4.896 -0.379 1.00 0.00 H new ATOM 94 P U A 11 2.826 -12.907 0.843 1.00 0.00 P ATOM 95 OP1 U A 11 3.241 -14.115 1.600 1.00 0.00 O ATOM 96 OP2 U A 11 1.380 -12.668 0.581 1.00 0.00 O ATOM 97 O5' U A 11 3.429 -11.632 1.589 1.00 0.00 O ATOM 98 C5' U A 11 2.599 -10.756 2.348 1.00 0.00 C ATOM 99 C4' U A 11 3.231 -9.385 2.432 1.00 0.00 C ATOM 100 O4' U A 11 3.003 -8.696 1.171 1.00 0.00 O ATOM 101 C3' U A 11 2.668 -8.474 3.521 1.00 0.00 C ATOM 102 O3' U A 11 3.701 -7.725 4.154 1.00 0.00 O ATOM 103 C2' U A 11 1.680 -7.580 2.775 1.00 0.00 C ATOM 104 O2' U A 11 1.634 -6.280 3.330 1.00 0.00 O ATOM 105 C1' U A 11 2.338 -7.472 1.402 1.00 0.00 C ATOM 106 N1 U A 11 1.389 -7.230 0.302 1.00 0.00 N ATOM 107 C2 U A 11 0.985 -5.920 0.063 1.00 0.00 C ATOM 108 O2 U A 11 1.387 -4.967 0.713 1.00 0.00 O ATOM 109 N3 U A 11 0.091 -5.767 -0.969 1.00 0.00 N ATOM 110 C4 U A 11 -0.428 -6.760 -1.772 1.00 0.00 C ATOM 111 O4 U A 11 -1.229 -6.463 -2.660 1.00 0.00 O ATOM 112 C5 U A 11 0.038 -8.077 -1.468 1.00 0.00 C ATOM 113 C6 U A 11 0.907 -8.269 -0.471 1.00 0.00 C ATOM 0 H5' U A 11 2.452 -11.159 3.350 1.00 0.00 H new ATOM 0 H5'' U A 11 1.615 -10.684 1.886 1.00 0.00 H new ATOM 0 H4' U A 11 4.280 -9.567 2.665 1.00 0.00 H new ATOM 0 H3' U A 11 2.190 -9.025 4.331 1.00 0.00 H new ATOM 0 H2' U A 11 0.664 -7.973 2.793 1.00 0.00 H new ATOM 0 HO2' U A 11 0.737 -6.108 3.686 1.00 0.00 H new ATOM 0 H1' U A 11 3.009 -6.613 1.414 1.00 0.00 H new ATOM 0 H3 U A 11 -0.223 -4.816 -1.162 1.00 0.00 H new ATOM 0 H5 U A 11 -0.313 -8.919 -2.046 1.00 0.00 H new ATOM 0 H6 U A 11 1.245 -9.273 -0.262 1.00 0.00 H new ATOM 124 P U A 12 3.870 -7.785 5.753 1.00 0.00 P ATOM 125 OP1 U A 12 5.224 -7.273 6.083 1.00 0.00 O ATOM 126 OP2 U A 12 3.470 -9.142 6.215 1.00 0.00 O ATOM 127 O5' U A 12 2.804 -6.733 6.298 1.00 0.00 O ATOM 128 C5' U A 12 1.407 -7.020 6.285 1.00 0.00 C ATOM 129 C4' U A 12 0.614 -5.736 6.187 1.00 0.00 C ATOM 130 O4' U A 12 -0.212 -5.787 4.990 1.00 0.00 O ATOM 131 C3' U A 12 -0.348 -5.469 7.343 1.00 0.00 C ATOM 132 O3' U A 12 -0.374 -4.083 7.661 1.00 0.00 O ATOM 133 C2' U A 12 -1.687 -5.968 6.809 1.00 0.00 C ATOM 134 O2' U A 12 -2.769 -5.249 7.370 1.00 0.00 O ATOM 135 C1' U A 12 -1.568 -5.592 5.335 1.00 0.00 C ATOM 136 N1 U A 12 -2.403 -6.398 4.427 1.00 0.00 N ATOM 137 C2 U A 12 -3.701 -5.967 4.177 1.00 0.00 C ATOM 138 O2 U A 12 -4.179 -4.957 4.672 1.00 0.00 O ATOM 139 N3 U A 12 -4.422 -6.765 3.323 1.00 0.00 N ATOM 140 C4 U A 12 -3.993 -7.921 2.705 1.00 0.00 C ATOM 141 O4 U A 12 -4.762 -8.529 1.958 1.00 0.00 O ATOM 142 C5 U A 12 -2.649 -8.297 3.012 1.00 0.00 C ATOM 143 C6 U A 12 -1.915 -7.547 3.839 1.00 0.00 C ATOM 0 H5' U A 12 1.130 -7.559 7.191 1.00 0.00 H new ATOM 0 H5'' U A 12 1.169 -7.669 5.442 1.00 0.00 H new ATOM 0 H4' U A 12 1.364 -4.945 6.188 1.00 0.00 H new ATOM 0 H3' U A 12 -0.068 -5.966 8.272 1.00 0.00 H new ATOM 0 H2' U A 12 -1.873 -7.021 7.023 1.00 0.00 H new ATOM 0 HO2' U A 12 -2.519 -4.924 8.260 1.00 0.00 H new ATOM 0 H1' U A 12 -1.915 -4.565 5.219 1.00 0.00 H new ATOM 0 H3 U A 12 -5.378 -6.471 3.124 1.00 0.00 H new ATOM 0 H5 U A 12 -2.226 -9.189 2.575 1.00 0.00 H new ATOM 0 H6 U A 12 -0.902 -7.851 4.055 1.00 0.00 H new ATOM 154 P G A 13 -0.555 -3.615 9.188 1.00 0.00 P ATOM 155 OP1 G A 13 0.637 -4.056 9.957 1.00 0.00 O ATOM 156 OP2 G A 13 -1.909 -4.038 9.628 1.00 0.00 O ATOM 157 O5' G A 13 -0.536 -2.024 9.104 1.00 0.00 O ATOM 158 C5' G A 13 -1.290 -1.334 8.110 1.00 0.00 C ATOM 159 C4' G A 13 -0.421 -0.311 7.414 1.00 0.00 C ATOM 160 O4' G A 13 -0.664 -0.397 5.981 1.00 0.00 O ATOM 161 C3' G A 13 -0.701 1.138 7.806 1.00 0.00 C ATOM 162 O3' G A 13 0.493 1.940 7.934 1.00 0.00 O ATOM 163 C2' G A 13 -1.648 1.634 6.714 1.00 0.00 C ATOM 164 O2' G A 13 -1.435 3.004 6.484 1.00 0.00 O ATOM 165 C1' G A 13 -1.190 0.825 5.502 1.00 0.00 C ATOM 166 N9 G A 13 -2.275 0.527 4.572 1.00 0.00 N ATOM 167 C8 G A 13 -3.256 -0.418 4.737 1.00 0.00 C ATOM 168 N7 G A 13 -4.110 -0.454 3.752 1.00 0.00 N ATOM 169 C5 G A 13 -3.665 0.526 2.876 1.00 0.00 C ATOM 170 C6 G A 13 -4.191 0.951 1.628 1.00 0.00 C ATOM 171 O6 G A 13 -5.191 0.535 1.030 1.00 0.00 O ATOM 172 N1 G A 13 -3.428 1.974 1.072 1.00 0.00 N ATOM 173 C2 G A 13 -2.305 2.518 1.642 1.00 0.00 C ATOM 174 N2 G A 13 -1.708 3.501 0.949 1.00 0.00 N ATOM 175 N3 G A 13 -1.803 2.131 2.804 1.00 0.00 N ATOM 176 C4 G A 13 -2.529 1.139 3.364 1.00 0.00 C ATOM 0 H5' G A 13 -2.147 -0.842 8.569 1.00 0.00 H new ATOM 0 H5'' G A 13 -1.683 -2.044 7.382 1.00 0.00 H new ATOM 0 H4' G A 13 0.601 -0.547 7.709 1.00 0.00 H new ATOM 0 H3' G A 13 -1.141 1.216 8.800 1.00 0.00 H new ATOM 0 H2' G A 13 -2.705 1.515 6.953 1.00 0.00 H new ATOM 0 HO2' G A 13 -1.897 3.274 5.663 1.00 0.00 H new ATOM 0 H1' G A 13 -0.453 1.416 4.958 1.00 0.00 H new ATOM 0 H8 G A 13 -3.315 -1.068 5.598 1.00 0.00 H new ATOM 0 H1 G A 13 -3.727 2.348 0.171 1.00 0.00 H new ATOM 0 H21 G A 13 -0.868 3.948 1.318 1.00 0.00 H new ATOM 0 H22 G A 13 -2.094 3.801 0.054 1.00 0.00 H new ATOM 188 P A A 14 1.574 2.035 6.733 1.00 0.00 P ATOM 189 OP1 A A 14 1.776 0.694 6.127 1.00 0.00 O ATOM 190 OP2 A A 14 2.745 2.767 7.284 1.00 0.00 O ATOM 191 O5' A A 14 0.886 2.967 5.636 1.00 0.00 O ATOM 192 C5' A A 14 0.842 4.388 5.780 1.00 0.00 C ATOM 193 C4' A A 14 0.013 4.994 4.669 1.00 0.00 C ATOM 194 O4' A A 14 -1.176 4.192 4.458 1.00 0.00 O ATOM 195 C3' A A 14 -0.541 6.387 4.928 1.00 0.00 C ATOM 196 O3' A A 14 0.428 7.393 4.659 1.00 0.00 O ATOM 197 C2' A A 14 -1.726 6.462 3.967 1.00 0.00 C ATOM 198 O2' A A 14 -1.306 6.800 2.658 1.00 0.00 O ATOM 199 C1' A A 14 -2.216 5.011 3.956 1.00 0.00 C ATOM 200 N9 A A 14 -3.434 4.790 4.740 1.00 0.00 N ATOM 201 C8 A A 14 -3.576 4.240 5.991 1.00 0.00 C ATOM 202 N7 A A 14 -4.816 4.187 6.407 1.00 0.00 N ATOM 203 C5 A A 14 -5.545 4.732 5.361 1.00 0.00 C ATOM 204 C6 A A 14 -6.920 4.955 5.180 1.00 0.00 C ATOM 205 N6 A A 14 -7.847 4.641 6.088 1.00 0.00 N ATOM 206 N1 A A 14 -7.318 5.517 4.018 1.00 0.00 N ATOM 207 C2 A A 14 -6.388 5.831 3.107 1.00 0.00 C ATOM 208 N3 A A 14 -5.070 5.669 3.160 1.00 0.00 N ATOM 209 C4 A A 14 -4.706 5.109 4.327 1.00 0.00 C ATOM 0 H5' A A 14 1.852 4.796 5.755 1.00 0.00 H new ATOM 0 H5'' A A 14 0.416 4.651 6.748 1.00 0.00 H new ATOM 0 H4' A A 14 0.713 5.036 3.834 1.00 0.00 H new ATOM 0 H3' A A 14 -0.824 6.554 5.967 1.00 0.00 H new ATOM 0 H2' A A 14 -2.465 7.206 4.264 1.00 0.00 H new ATOM 0 HO2' A A 14 -0.425 7.227 2.697 1.00 0.00 H new ATOM 0 H1' A A 14 -2.472 4.761 2.927 1.00 0.00 H new ATOM 0 H8 A A 14 -2.742 3.884 6.577 1.00 0.00 H new ATOM 0 H61 A A 14 -8.831 4.828 5.898 1.00 0.00 H new ATOM 0 H62 A A 14 -7.571 4.214 6.972 1.00 0.00 H new ATOM 0 H2 A A 14 -6.763 6.280 2.199 1.00 0.00 H new ATOM 221 P A A 15 0.266 8.856 5.309 1.00 0.00 P ATOM 222 OP1 A A 15 1.028 9.815 4.469 1.00 0.00 O ATOM 223 OP2 A A 15 0.582 8.735 6.754 1.00 0.00 O ATOM 224 O5' A A 15 -1.291 9.175 5.169 1.00 0.00 O ATOM 225 C5' A A 15 -1.759 10.508 4.999 1.00 0.00 C ATOM 226 C4' A A 15 -2.675 10.588 3.800 1.00 0.00 C ATOM 227 O4' A A 15 -3.685 9.546 3.925 1.00 0.00 O ATOM 228 C3' A A 15 -3.433 11.907 3.653 1.00 0.00 C ATOM 229 O3' A A 15 -3.442 12.421 2.303 1.00 0.00 O ATOM 230 C2' A A 15 -4.815 11.593 4.219 1.00 0.00 C ATOM 231 O2' A A 15 -5.817 12.313 3.543 1.00 0.00 O ATOM 232 C1' A A 15 -4.974 10.119 3.864 1.00 0.00 C ATOM 233 N9 A A 15 -5.865 9.384 4.765 1.00 0.00 N ATOM 234 C8 A A 15 -5.558 8.294 5.539 1.00 0.00 C ATOM 235 N7 A A 15 -6.565 7.847 6.249 1.00 0.00 N ATOM 236 C5 A A 15 -7.609 8.699 5.920 1.00 0.00 C ATOM 237 C6 A A 15 -8.950 8.757 6.338 1.00 0.00 C ATOM 238 N6 A A 15 -9.489 7.908 7.215 1.00 0.00 N ATOM 239 N1 A A 15 -9.728 9.732 5.819 1.00 0.00 N ATOM 240 C2 A A 15 -9.186 10.585 4.941 1.00 0.00 C ATOM 241 N3 A A 15 -7.941 10.634 4.472 1.00 0.00 N ATOM 242 C4 A A 15 -7.193 9.652 5.007 1.00 0.00 C ATOM 0 H5' A A 15 -0.914 11.184 4.867 1.00 0.00 H new ATOM 0 H5'' A A 15 -2.290 10.832 5.894 1.00 0.00 H new ATOM 0 H4' A A 15 -2.027 10.483 2.930 1.00 0.00 H new ATOM 0 H3' A A 15 -2.955 12.726 4.190 1.00 0.00 H new ATOM 0 H2' A A 15 -4.902 11.837 5.278 1.00 0.00 H new ATOM 0 HO2' A A 15 -6.155 13.026 4.124 1.00 0.00 H new ATOM 0 H1' A A 15 -5.428 10.053 2.875 1.00 0.00 H new ATOM 0 H8 A A 15 -4.576 7.845 5.561 1.00 0.00 H new ATOM 0 H61 A A 15 -10.470 8.002 7.479 1.00 0.00 H new ATOM 0 H62 A A 15 -8.920 7.165 7.621 1.00 0.00 H new ATOM 0 H2 A A 15 -9.855 11.342 4.558 1.00 0.00 H new ATOM 254 P U A 16 -4.041 11.556 1.071 1.00 0.00 P ATOM 255 OP1 U A 16 -3.848 10.104 1.316 1.00 0.00 O ATOM 256 OP2 U A 16 -3.492 12.159 -0.171 1.00 0.00 O ATOM 257 O5' U A 16 -5.607 11.861 1.097 1.00 0.00 O ATOM 258 C5' U A 16 -6.114 13.152 0.756 1.00 0.00 C ATOM 259 C4' U A 16 -7.627 13.151 0.804 1.00 0.00 C ATOM 260 O4' U A 16 -8.058 12.841 2.161 1.00 0.00 O ATOM 261 C3' U A 16 -8.285 14.485 0.454 1.00 0.00 C ATOM 262 O3' U A 16 -9.461 14.286 -0.322 1.00 0.00 O ATOM 263 C2' U A 16 -8.586 15.103 1.817 1.00 0.00 C ATOM 264 O2' U A 16 -9.736 15.926 1.769 1.00 0.00 O ATOM 265 C1' U A 16 -8.915 13.860 2.637 1.00 0.00 C ATOM 266 N1 U A 16 -8.702 14.014 4.087 1.00 0.00 N ATOM 267 C2 U A 16 -9.745 14.510 4.861 1.00 0.00 C ATOM 268 O2 U A 16 -10.831 14.826 4.398 1.00 0.00 O ATOM 269 N3 U A 16 -9.466 14.622 6.201 1.00 0.00 N ATOM 270 C4 U A 16 -8.283 14.297 6.834 1.00 0.00 C ATOM 271 O4 U A 16 -8.181 14.457 8.051 1.00 0.00 O ATOM 272 C5 U A 16 -7.264 13.793 5.965 1.00 0.00 C ATOM 273 C6 U A 16 -7.500 13.673 4.660 1.00 0.00 C ATOM 0 H5' U A 16 -5.775 13.432 -0.242 1.00 0.00 H new ATOM 0 H5'' U A 16 -5.722 13.898 1.447 1.00 0.00 H new ATOM 0 H4' U A 16 -7.931 12.416 0.058 1.00 0.00 H new ATOM 0 H3' U A 16 -7.655 15.131 -0.158 1.00 0.00 H new ATOM 0 H2' U A 16 -7.775 15.725 2.196 1.00 0.00 H new ATOM 0 HO2' U A 16 -10.279 15.777 2.571 1.00 0.00 H new ATOM 0 H1' U A 16 -9.976 13.642 2.517 1.00 0.00 H new ATOM 0 H3 U A 16 -10.214 14.985 6.793 1.00 0.00 H new ATOM 0 H5 U A 16 -6.303 13.510 6.368 1.00 0.00 H new ATOM 0 H6 U A 16 -6.714 13.292 4.025 1.00 0.00 H new ATOM 284 P C A 17 -9.349 14.165 -1.921 1.00 0.00 P ATOM 285 OP1 C A 17 -8.755 15.426 -2.435 1.00 0.00 O ATOM 286 OP2 C A 17 -10.672 13.719 -2.424 1.00 0.00 O ATOM 287 O5' C A 17 -8.308 12.979 -2.144 1.00 0.00 O ATOM 288 C5' C A 17 -7.510 12.912 -3.324 1.00 0.00 C ATOM 289 C4' C A 17 -7.520 11.506 -3.880 1.00 0.00 C ATOM 290 O4' C A 17 -7.096 10.589 -2.831 1.00 0.00 O ATOM 291 C3' C A 17 -8.883 11.005 -4.355 1.00 0.00 C ATOM 292 O3' C A 17 -8.766 10.259 -5.559 1.00 0.00 O ATOM 293 C2' C A 17 -9.379 10.152 -3.191 1.00 0.00 C ATOM 294 O2' C A 17 -10.185 9.080 -3.644 1.00 0.00 O ATOM 295 C1' C A 17 -8.069 9.581 -2.658 1.00 0.00 C ATOM 296 N1 C A 17 -8.101 9.204 -1.231 1.00 0.00 N ATOM 297 C2 C A 17 -7.930 7.857 -0.874 1.00 0.00 C ATOM 298 O2 C A 17 -7.743 7.011 -1.764 1.00 0.00 O ATOM 299 N3 C A 17 -7.970 7.513 0.435 1.00 0.00 N ATOM 300 C4 C A 17 -8.165 8.451 1.367 1.00 0.00 C ATOM 301 N4 C A 17 -8.205 8.066 2.643 1.00 0.00 N ATOM 302 C5 C A 17 -8.329 9.824 1.032 1.00 0.00 C ATOM 303 C6 C A 17 -8.297 10.153 -0.266 1.00 0.00 C ATOM 0 H5' C A 17 -6.487 13.215 -3.098 1.00 0.00 H new ATOM 0 H5'' C A 17 -7.891 13.609 -4.070 1.00 0.00 H new ATOM 0 H4' C A 17 -6.858 11.537 -4.745 1.00 0.00 H new ATOM 0 H3' C A 17 -9.576 11.811 -4.597 1.00 0.00 H new ATOM 0 H2' C A 17 -9.980 10.712 -2.474 1.00 0.00 H new ATOM 0 HO2' C A 17 -9.649 8.482 -4.205 1.00 0.00 H new ATOM 0 H1' C A 17 -7.858 8.661 -3.204 1.00 0.00 H new ATOM 0 H41 C A 17 -8.352 8.756 3.380 1.00 0.00 H new ATOM 0 H42 C A 17 -8.088 7.081 2.882 1.00 0.00 H new ATOM 0 H5 C A 17 -8.474 10.573 1.796 1.00 0.00 H new ATOM 0 H6 C A 17 -8.428 11.185 -0.555 1.00 0.00 H new ATOM 315 P U A 18 -9.733 10.592 -6.802 1.00 0.00 P ATOM 316 OP1 U A 18 -9.070 11.648 -7.608 1.00 0.00 O ATOM 317 OP2 U A 18 -11.110 10.814 -6.290 1.00 0.00 O ATOM 318 O5' U A 18 -9.736 9.249 -7.657 1.00 0.00 O ATOM 319 C5' U A 18 -10.020 7.994 -7.047 1.00 0.00 C ATOM 320 C4' U A 18 -8.737 7.331 -6.600 1.00 0.00 C ATOM 321 O4' U A 18 -8.833 7.044 -5.176 1.00 0.00 O ATOM 322 C3' U A 18 -8.431 5.996 -7.273 1.00 0.00 C ATOM 323 O3' U A 18 -7.034 5.849 -7.506 1.00 0.00 O ATOM 324 C2' U A 18 -8.957 4.971 -6.273 1.00 0.00 C ATOM 325 O2' U A 18 -8.221 3.766 -6.355 1.00 0.00 O ATOM 326 C1' U A 18 -8.640 5.661 -4.947 1.00 0.00 C ATOM 327 N1 U A 18 -9.473 5.262 -3.795 1.00 0.00 N ATOM 328 C2 U A 18 -9.559 3.909 -3.457 1.00 0.00 C ATOM 329 O2 U A 18 -8.977 3.024 -4.066 1.00 0.00 O ATOM 330 N3 U A 18 -10.355 3.632 -2.374 1.00 0.00 N ATOM 331 C4 U A 18 -11.057 4.532 -1.605 1.00 0.00 C ATOM 332 O4 U A 18 -11.732 4.125 -0.659 1.00 0.00 O ATOM 333 C5 U A 18 -10.917 5.895 -2.009 1.00 0.00 C ATOM 334 C6 U A 18 -10.152 6.212 -3.059 1.00 0.00 C ATOM 0 H5' U A 18 -10.545 7.349 -7.751 1.00 0.00 H new ATOM 0 H5'' U A 18 -10.681 8.138 -6.192 1.00 0.00 H new ATOM 0 H4' U A 18 -7.946 8.032 -6.867 1.00 0.00 H new ATOM 0 H3' U A 18 -8.890 5.891 -8.256 1.00 0.00 H new ATOM 0 H2' U A 18 -10.004 4.706 -6.424 1.00 0.00 H new ATOM 0 HO2' U A 18 -8.120 3.383 -5.459 1.00 0.00 H new ATOM 0 H1' U A 18 -7.626 5.376 -4.668 1.00 0.00 H new ATOM 0 H3 U A 18 -10.435 2.650 -2.110 1.00 0.00 H new ATOM 0 H5 U A 18 -11.431 6.673 -1.464 1.00 0.00 H new ATOM 0 H6 U A 18 -10.062 7.250 -3.342 1.00 0.00 H new ATOM 345 P C A 19 -6.520 5.043 -8.798 1.00 0.00 P ATOM 346 OP1 C A 19 -6.555 5.984 -9.947 1.00 0.00 O ATOM 347 OP2 C A 19 -7.260 3.758 -8.881 1.00 0.00 O ATOM 348 O5' C A 19 -4.995 4.723 -8.468 1.00 0.00 O ATOM 349 C5' C A 19 -4.645 3.841 -7.404 1.00 0.00 C ATOM 350 C4' C A 19 -3.639 4.501 -6.491 1.00 0.00 C ATOM 351 O4' C A 19 -4.352 5.136 -5.396 1.00 0.00 O ATOM 352 C3' C A 19 -2.656 3.554 -5.816 1.00 0.00 C ATOM 353 O3' C A 19 -1.515 3.313 -6.638 1.00 0.00 O ATOM 354 C2' C A 19 -2.301 4.293 -4.530 1.00 0.00 C ATOM 355 O2' C A 19 -1.332 5.297 -4.763 1.00 0.00 O ATOM 356 C1' C A 19 -3.629 4.970 -4.187 1.00 0.00 C ATOM 357 N1 C A 19 -4.473 4.209 -3.238 1.00 0.00 N ATOM 358 C2 C A 19 -4.063 4.086 -1.895 1.00 0.00 C ATOM 359 O2 C A 19 -2.997 4.614 -1.533 1.00 0.00 O ATOM 360 N3 C A 19 -4.841 3.395 -1.031 1.00 0.00 N ATOM 361 C4 C A 19 -5.981 2.843 -1.451 1.00 0.00 C ATOM 362 N4 C A 19 -6.711 2.166 -0.562 1.00 0.00 N ATOM 363 C5 C A 19 -6.424 2.958 -2.802 1.00 0.00 C ATOM 364 C6 C A 19 -5.642 3.634 -3.654 1.00 0.00 C ATOM 0 H5' C A 19 -4.230 2.918 -7.808 1.00 0.00 H new ATOM 0 H5'' C A 19 -5.536 3.569 -6.839 1.00 0.00 H new ATOM 0 H4' C A 19 -3.081 5.179 -7.137 1.00 0.00 H new ATOM 0 H3' C A 19 -3.066 2.561 -5.629 1.00 0.00 H new ATOM 0 H2' C A 19 -1.893 3.638 -3.761 1.00 0.00 H new ATOM 0 HO2' C A 19 -0.464 4.879 -4.942 1.00 0.00 H new ATOM 0 H1' C A 19 -3.391 5.914 -3.697 1.00 0.00 H new ATOM 0 H41 C A 19 -7.588 1.731 -0.848 1.00 0.00 H new ATOM 0 H42 C A 19 -6.392 2.084 0.403 1.00 0.00 H new ATOM 0 H5 C A 19 -7.355 2.517 -3.126 1.00 0.00 H new ATOM 0 H6 C A 19 -5.940 3.727 -4.688 1.00 0.00 H new ATOM 376 P A A 20 -0.384 2.271 -6.158 1.00 0.00 P ATOM 377 OP1 A A 20 0.523 2.025 -7.308 1.00 0.00 O ATOM 378 OP2 A A 20 -1.071 1.123 -5.508 1.00 0.00 O ATOM 379 O5' A A 20 0.433 3.079 -5.051 1.00 0.00 O ATOM 380 C5' A A 20 0.950 2.432 -3.890 1.00 0.00 C ATOM 381 C4' A A 20 0.248 2.948 -2.652 1.00 0.00 C ATOM 382 O4' A A 20 -1.087 2.373 -2.609 1.00 0.00 O ATOM 383 C3' A A 20 0.902 2.583 -1.321 1.00 0.00 C ATOM 384 O3' A A 20 0.772 3.639 -0.376 1.00 0.00 O ATOM 385 C2' A A 20 0.169 1.321 -0.889 1.00 0.00 C ATOM 386 O2' A A 20 0.059 1.252 0.519 1.00 0.00 O ATOM 387 C1' A A 20 -1.223 1.551 -1.469 1.00 0.00 C ATOM 388 N9 A A 20 -1.881 0.309 -1.882 1.00 0.00 N ATOM 389 C8 A A 20 -2.801 0.143 -2.884 1.00 0.00 C ATOM 390 N7 A A 20 -3.220 -1.093 -3.019 1.00 0.00 N ATOM 391 C5 A A 20 -2.522 -1.790 -2.042 1.00 0.00 C ATOM 392 C6 A A 20 -2.505 -3.145 -1.666 1.00 0.00 C ATOM 393 N6 A A 20 -3.255 -4.085 -2.248 1.00 0.00 N ATOM 394 N1 A A 20 -1.681 -3.506 -0.656 1.00 0.00 N ATOM 395 C2 A A 20 -0.933 -2.560 -0.070 1.00 0.00 C ATOM 396 N3 A A 20 -0.875 -1.264 -0.323 1.00 0.00 N ATOM 397 C4 A A 20 -1.698 -0.937 -1.332 1.00 0.00 C ATOM 0 H5' A A 20 2.022 2.611 -3.811 1.00 0.00 H new ATOM 0 H5'' A A 20 0.812 1.354 -3.973 1.00 0.00 H new ATOM 0 H4' A A 20 0.277 4.034 -2.745 1.00 0.00 H new ATOM 0 H3' A A 20 1.977 2.420 -1.403 1.00 0.00 H new ATOM 0 H2' A A 20 0.668 0.408 -1.214 1.00 0.00 H new ATOM 0 HO2' A A 20 -0.884 1.323 0.777 1.00 0.00 H new ATOM 0 H1' A A 20 -1.836 2.007 -0.692 1.00 0.00 H new ATOM 0 H8 A A 20 -3.149 0.955 -3.505 1.00 0.00 H new ATOM 0 H61 A A 20 -3.198 -5.052 -1.930 1.00 0.00 H new ATOM 0 H62 A A 20 -3.885 -3.835 -3.011 1.00 0.00 H new ATOM 0 H2 A A 20 -0.285 -2.906 0.722 1.00 0.00 H new ATOM 409 P C A 21 1.906 4.776 -0.283 1.00 0.00 P ATOM 410 OP1 C A 21 1.370 5.846 0.597 1.00 0.00 O ATOM 411 OP2 C A 21 2.359 5.118 -1.658 1.00 0.00 O ATOM 412 O5' C A 21 3.106 4.067 0.492 1.00 0.00 O ATOM 413 C5' C A 21 3.982 3.160 -0.176 1.00 0.00 C ATOM 414 C4' C A 21 4.063 1.859 0.587 1.00 0.00 C ATOM 415 O4' C A 21 2.996 0.983 0.150 1.00 0.00 O ATOM 416 C3' C A 21 5.324 1.042 0.355 1.00 0.00 C ATOM 417 O3' C A 21 6.391 1.476 1.189 1.00 0.00 O ATOM 418 C2' C A 21 4.881 -0.378 0.696 1.00 0.00 C ATOM 419 O2' C A 21 4.937 -0.612 2.090 1.00 0.00 O ATOM 420 C1' C A 21 3.409 -0.366 0.269 1.00 0.00 C ATOM 421 N1 C A 21 3.154 -1.058 -1.015 1.00 0.00 N ATOM 422 C2 C A 21 3.232 -2.465 -1.060 1.00 0.00 C ATOM 423 O2 C A 21 3.516 -3.092 -0.026 1.00 0.00 O ATOM 424 N3 C A 21 2.997 -3.099 -2.231 1.00 0.00 N ATOM 425 C4 C A 21 2.690 -2.396 -3.322 1.00 0.00 C ATOM 426 N4 C A 21 2.473 -3.069 -4.456 1.00 0.00 N ATOM 427 C5 C A 21 2.594 -0.974 -3.304 1.00 0.00 C ATOM 428 C6 C A 21 2.841 -0.351 -2.145 1.00 0.00 C ATOM 0 H5' C A 21 4.975 3.601 -0.265 1.00 0.00 H new ATOM 0 H5'' C A 21 3.623 2.975 -1.188 1.00 0.00 H new ATOM 0 H4' C A 21 4.021 2.165 1.632 1.00 0.00 H new ATOM 0 H3' C A 21 5.713 1.135 -0.659 1.00 0.00 H new ATOM 0 H2' C A 21 5.501 -1.138 0.221 1.00 0.00 H new ATOM 0 HO2' C A 21 5.870 -0.591 2.388 1.00 0.00 H new ATOM 0 H1' C A 21 2.847 -0.907 1.030 1.00 0.00 H new ATOM 0 H41 C A 21 2.236 -2.565 -5.311 1.00 0.00 H new ATOM 0 H42 C A 21 2.544 -4.086 -4.467 1.00 0.00 H new ATOM 0 H5 C A 21 2.332 -0.419 -4.193 1.00 0.00 H new ATOM 0 H6 C A 21 2.793 0.727 -2.101 1.00 0.00 H new ATOM 440 P G A 22 7.537 2.439 0.594 1.00 0.00 P ATOM 441 OP1 G A 22 7.296 3.811 1.107 1.00 0.00 O ATOM 442 OP2 G A 22 7.631 2.212 -0.872 1.00 0.00 O ATOM 443 O5' G A 22 8.880 1.891 1.255 1.00 0.00 O ATOM 444 C5' G A 22 8.965 1.660 2.659 1.00 0.00 C ATOM 445 C4' G A 22 9.007 0.176 2.943 1.00 0.00 C ATOM 446 O4' G A 22 7.890 -0.465 2.269 1.00 0.00 O ATOM 447 C3' G A 22 10.234 -0.561 2.424 1.00 0.00 C ATOM 448 O3' G A 22 11.320 -0.488 3.339 1.00 0.00 O ATOM 449 C2' G A 22 9.719 -1.985 2.257 1.00 0.00 C ATOM 450 O2' G A 22 9.658 -2.665 3.498 1.00 0.00 O ATOM 451 C1' G A 22 8.293 -1.731 1.772 1.00 0.00 C ATOM 452 N9 G A 22 8.166 -1.720 0.317 1.00 0.00 N ATOM 453 C8 G A 22 7.999 -0.622 -0.493 1.00 0.00 C ATOM 454 N7 G A 22 7.919 -0.924 -1.760 1.00 0.00 N ATOM 455 C5 G A 22 8.039 -2.306 -1.792 1.00 0.00 C ATOM 456 C6 G A 22 8.025 -3.204 -2.892 1.00 0.00 C ATOM 457 O6 G A 22 7.902 -2.947 -4.096 1.00 0.00 O ATOM 458 N1 G A 22 8.176 -4.523 -2.478 1.00 0.00 N ATOM 459 C2 G A 22 8.322 -4.929 -1.174 1.00 0.00 C ATOM 460 N2 G A 22 8.452 -6.249 -0.976 1.00 0.00 N ATOM 461 N3 G A 22 8.336 -4.104 -0.140 1.00 0.00 N ATOM 462 C4 G A 22 8.191 -2.815 -0.519 1.00 0.00 C ATOM 0 H5' G A 22 8.108 2.110 3.161 1.00 0.00 H new ATOM 0 H5'' G A 22 9.858 2.140 3.060 1.00 0.00 H new ATOM 0 H4' G A 22 8.996 0.114 4.031 1.00 0.00 H new ATOM 0 H3' G A 22 10.635 -0.140 1.502 1.00 0.00 H new ATOM 0 H2' G A 22 10.344 -2.593 1.603 1.00 0.00 H new ATOM 0 HO2' G A 22 9.323 -3.575 3.356 1.00 0.00 H new ATOM 0 H1' G A 22 7.668 -2.546 2.137 1.00 0.00 H new ATOM 0 H8 G A 22 7.940 0.389 -0.118 1.00 0.00 H new ATOM 0 H1 G A 22 8.179 -5.245 -3.199 1.00 0.00 H new ATOM 0 H21 G A 22 8.564 -6.614 -0.030 1.00 0.00 H new ATOM 0 H22 G A 22 8.439 -6.888 -1.771 1.00 0.00 H new ATOM 474 P G A 23 12.817 -0.772 2.825 1.00 0.00 P ATOM 475 OP1 G A 23 13.734 -0.687 3.991 1.00 0.00 O ATOM 476 OP2 G A 23 13.055 0.093 1.641 1.00 0.00 O ATOM 477 O5' G A 23 12.773 -2.286 2.325 1.00 0.00 O ATOM 478 C5' G A 23 12.703 -3.365 3.254 1.00 0.00 C ATOM 479 C4' G A 23 12.832 -4.688 2.534 1.00 0.00 C ATOM 480 O4' G A 23 11.708 -4.844 1.628 1.00 0.00 O ATOM 481 C3' G A 23 14.059 -4.839 1.644 1.00 0.00 C ATOM 482 O3' G A 23 15.208 -5.264 2.381 1.00 0.00 O ATOM 483 C2' G A 23 13.606 -5.877 0.621 1.00 0.00 C ATOM 484 O2' G A 23 13.693 -7.190 1.143 1.00 0.00 O ATOM 485 C1' G A 23 12.128 -5.519 0.455 1.00 0.00 C ATOM 486 N9 G A 23 11.860 -4.660 -0.696 1.00 0.00 N ATOM 487 C8 G A 23 11.669 -3.299 -0.688 1.00 0.00 C ATOM 488 N7 G A 23 11.445 -2.803 -1.874 1.00 0.00 N ATOM 489 C5 G A 23 11.490 -3.902 -2.720 1.00 0.00 C ATOM 490 C6 G A 23 11.320 -3.986 -4.127 1.00 0.00 C ATOM 491 O6 G A 23 11.087 -3.076 -4.932 1.00 0.00 O ATOM 492 N1 G A 23 11.444 -5.295 -4.580 1.00 0.00 N ATOM 493 C2 G A 23 11.701 -6.384 -3.784 1.00 0.00 C ATOM 494 N2 G A 23 11.786 -7.567 -4.411 1.00 0.00 N ATOM 495 N3 G A 23 11.863 -6.321 -2.472 1.00 0.00 N ATOM 496 C4 G A 23 11.745 -5.057 -2.010 1.00 0.00 C ATOM 0 H5' G A 23 11.757 -3.328 3.794 1.00 0.00 H new ATOM 0 H5'' G A 23 13.497 -3.268 3.995 1.00 0.00 H new ATOM 0 H4' G A 23 12.891 -5.422 3.338 1.00 0.00 H new ATOM 0 H3' G A 23 14.377 -3.903 1.186 1.00 0.00 H new ATOM 0 H2' G A 23 14.202 -5.864 -0.291 1.00 0.00 H new ATOM 0 HO2' G A 23 14.302 -7.197 1.911 1.00 0.00 H new ATOM 0 HO3' G A 23 15.972 -5.350 1.774 1.00 0.00 H new ATOM 0 H1' G A 23 11.584 -6.449 0.289 1.00 0.00 H new ATOM 0 H8 G A 23 11.701 -2.700 0.210 1.00 0.00 H new ATOM 0 H1 G A 23 11.336 -5.459 -5.581 1.00 0.00 H new ATOM 0 H21 G A 23 11.975 -8.415 -3.877 1.00 0.00 H new ATOM 0 H22 G A 23 11.662 -7.618 -5.422 1.00 0.00 H new TER 508 G A 23