USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, 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 42 G O2' : rot -7:sc= -0.443 USER MOD Single : A 42 G O5' : rot 180:sc= 0 USER MOD Single : A 43 A O2' : rot 180:sc= -0.275 USER MOD Single : A 44 U O2' : rot -11:sc= -0.0619 USER MOD Single : A 45 C O2' : rot -3:sc= -0.67 USER MOD Single : A 46 U O2' : rot -10:sc= 0.0584 USER MOD Single : A 47 C O2' : rot -95:sc= -2.6! USER MOD Single : A 48 U O2' : rot -109:sc= -6.17! USER MOD Single : A 49 U O2' : rot -38:sc= -1.3! USER MOD Single : A 50 G O2' : rot -83:sc= -5.83! USER MOD Single : A 51 U O2' : rot 180:sc= -5.5! USER MOD Single : A 52 A O2' : rot 0:sc= -0.687 USER MOD Single : A 53 G O2' : rot -13:sc= -0.354 USER MOD Single : A 54 A O2' : rot -2:sc= -1.71! USER MOD Single : A 55 U O2' : rot -2:sc= -0.729 USER MOD Single : A 56 C O2' : rot 10:sc= -2.24! USER MOD Single : A 57 A O2' : rot 180:sc= 0 USER MOD Single : A 57 A O3' : rot 129:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.478 -3.684 9.787 1.00 0.00 O ATOM 2 C5' G A 42 7.394 -3.169 10.756 1.00 0.00 C ATOM 3 C4' G A 42 8.200 -2.005 10.197 1.00 0.00 C ATOM 4 O4' G A 42 9.073 -2.439 9.156 1.00 0.00 O ATOM 5 C3' G A 42 7.362 -0.893 9.598 1.00 0.00 C ATOM 6 O3' G A 42 6.887 -0.013 10.623 1.00 0.00 O ATOM 7 C2' G A 42 8.379 -0.201 8.723 1.00 0.00 C ATOM 8 O2' G A 42 9.218 0.677 9.483 1.00 0.00 O ATOM 9 C1' G A 42 9.161 -1.388 8.179 1.00 0.00 C ATOM 10 N9 G A 42 8.629 -1.924 6.917 1.00 0.00 N ATOM 11 C8 G A 42 7.794 -2.991 6.736 1.00 0.00 C ATOM 12 N7 G A 42 7.496 -3.225 5.489 1.00 0.00 N ATOM 13 C5 G A 42 8.185 -2.237 4.790 1.00 0.00 C ATOM 14 C6 G A 42 8.242 -1.984 3.392 1.00 0.00 C ATOM 15 O6 G A 42 7.688 -2.602 2.488 1.00 0.00 O ATOM 16 N1 G A 42 9.051 -0.888 3.103 1.00 0.00 N ATOM 17 C2 G A 42 9.721 -0.132 4.048 1.00 0.00 C ATOM 18 N2 G A 42 10.452 0.883 3.591 1.00 0.00 N ATOM 19 N3 G A 42 9.666 -0.374 5.362 1.00 0.00 N ATOM 20 C4 G A 42 8.882 -1.436 5.657 1.00 0.00 C ATOM 0 H5' G A 42 8.071 -3.961 11.076 1.00 0.00 H new ATOM 0 H5'' G A 42 6.845 -2.842 11.639 1.00 0.00 H new ATOM 0 H4' G A 42 8.738 -1.621 11.064 1.00 0.00 H new ATOM 0 H3' G A 42 6.471 -1.231 9.069 1.00 0.00 H new ATOM 0 H2' G A 42 7.944 0.438 7.954 1.00 0.00 H new ATOM 0 HO2' G A 42 8.889 0.727 10.405 1.00 0.00 H new ATOM 0 HO5' G A 42 5.977 -4.431 10.175 1.00 0.00 H new ATOM 0 H1' G A 42 10.177 -1.046 7.985 1.00 0.00 H new ATOM 0 H8 G A 42 7.415 -3.587 7.553 1.00 0.00 H new ATOM 0 H1 G A 42 9.157 -0.624 2.124 1.00 0.00 H new ATOM 0 H21 G A 42 10.968 1.474 4.243 1.00 0.00 H new ATOM 0 H22 G A 42 10.496 1.069 2.589 1.00 0.00 H new ATOM 33 P A A 43 5.518 0.816 10.424 1.00 0.00 P ATOM 34 OP1 A A 43 5.231 1.541 11.682 1.00 0.00 O ATOM 35 OP2 A A 43 4.503 -0.098 9.853 1.00 0.00 O ATOM 36 O5' A A 43 5.909 1.900 9.298 1.00 0.00 O ATOM 37 C5' A A 43 6.877 2.912 9.571 1.00 0.00 C ATOM 38 C4' A A 43 7.202 3.740 8.329 1.00 0.00 C ATOM 39 O4' A A 43 7.841 2.931 7.335 1.00 0.00 O ATOM 40 C3' A A 43 5.999 4.351 7.632 1.00 0.00 C ATOM 41 O3' A A 43 5.596 5.557 8.300 1.00 0.00 O ATOM 42 C2' A A 43 6.570 4.642 6.262 1.00 0.00 C ATOM 43 O2' A A 43 7.337 5.851 6.254 1.00 0.00 O ATOM 44 C1' A A 43 7.450 3.417 6.034 1.00 0.00 C ATOM 45 N9 A A 43 6.758 2.322 5.323 1.00 0.00 N ATOM 46 C8 A A 43 6.133 1.213 5.836 1.00 0.00 C ATOM 47 N7 A A 43 5.599 0.440 4.931 1.00 0.00 N ATOM 48 C5 A A 43 5.887 1.082 3.733 1.00 0.00 C ATOM 49 C6 A A 43 5.593 0.776 2.393 1.00 0.00 C ATOM 50 N6 A A 43 4.916 -0.313 2.016 1.00 0.00 N ATOM 51 N1 A A 43 6.027 1.637 1.461 1.00 0.00 N ATOM 52 C2 A A 43 6.705 2.714 1.832 1.00 0.00 C ATOM 53 N3 A A 43 7.045 3.108 3.046 1.00 0.00 N ATOM 54 C4 A A 43 6.594 2.230 3.964 1.00 0.00 C ATOM 0 H5' A A 43 7.789 2.449 9.948 1.00 0.00 H new ATOM 0 H5'' A A 43 6.504 3.568 10.357 1.00 0.00 H new ATOM 0 H4' A A 43 7.835 4.539 8.715 1.00 0.00 H new ATOM 0 H3' A A 43 5.110 3.721 7.614 1.00 0.00 H new ATOM 0 H2' A A 43 5.815 4.797 5.491 1.00 0.00 H new ATOM 0 HO2' A A 43 7.692 6.007 5.354 1.00 0.00 H new ATOM 0 H1' A A 43 8.294 3.717 5.413 1.00 0.00 H new ATOM 0 H8 A A 43 6.087 1.000 6.894 1.00 0.00 H new ATOM 0 H61 A A 43 4.732 -0.482 1.027 1.00 0.00 H new ATOM 0 H62 A A 43 4.583 -0.975 2.717 1.00 0.00 H new ATOM 0 H2 A A 43 7.024 3.361 1.028 1.00 0.00 H new ATOM 66 P U A 44 4.064 6.069 8.229 1.00 0.00 P ATOM 67 OP1 U A 44 3.926 7.230 9.137 1.00 0.00 O ATOM 68 OP2 U A 44 3.178 4.896 8.396 1.00 0.00 O ATOM 69 O5' U A 44 3.916 6.598 6.712 1.00 0.00 O ATOM 70 C5' U A 44 4.662 7.741 6.283 1.00 0.00 C ATOM 71 C4' U A 44 4.518 8.004 4.783 1.00 0.00 C ATOM 72 O4' U A 44 5.104 6.938 4.038 1.00 0.00 O ATOM 73 C3' U A 44 3.096 8.112 4.261 1.00 0.00 C ATOM 74 O3' U A 44 2.555 9.420 4.495 1.00 0.00 O ATOM 75 C2' U A 44 3.331 7.894 2.781 1.00 0.00 C ATOM 76 O2' U A 44 3.836 9.076 2.148 1.00 0.00 O ATOM 77 C1' U A 44 4.373 6.784 2.805 1.00 0.00 C ATOM 78 N1 U A 44 3.779 5.436 2.793 1.00 0.00 N ATOM 79 C2 U A 44 3.455 4.902 1.566 1.00 0.00 C ATOM 80 O2 U A 44 3.665 5.504 0.515 1.00 0.00 O ATOM 81 N3 U A 44 2.879 3.649 1.584 1.00 0.00 N ATOM 82 C4 U A 44 2.600 2.891 2.704 1.00 0.00 C ATOM 83 O4 U A 44 2.091 1.776 2.593 1.00 0.00 O ATOM 84 C5 U A 44 2.966 3.528 3.949 1.00 0.00 C ATOM 85 C6 U A 44 3.532 4.760 3.956 1.00 0.00 C ATOM 0 H5' U A 44 5.715 7.595 6.524 1.00 0.00 H new ATOM 0 H5'' U A 44 4.327 8.618 6.836 1.00 0.00 H new ATOM 0 H4' U A 44 5.009 8.969 4.653 1.00 0.00 H new ATOM 0 H3' U A 44 2.390 7.424 4.726 1.00 0.00 H new ATOM 0 H2' U A 44 2.430 7.649 2.218 1.00 0.00 H new ATOM 0 HO2' U A 44 3.766 9.833 2.766 1.00 0.00 H new ATOM 0 H1' U A 44 4.995 6.869 1.914 1.00 0.00 H new ATOM 0 H3 U A 44 2.635 3.242 0.681 1.00 0.00 H new ATOM 0 H5 U A 44 2.787 3.017 4.883 1.00 0.00 H new ATOM 0 H6 U A 44 3.793 5.217 4.899 1.00 0.00 H new ATOM 96 P C A 45 0.961 9.629 4.669 1.00 0.00 P ATOM 97 OP1 C A 45 0.718 11.046 5.020 1.00 0.00 O ATOM 98 OP2 C A 45 0.450 8.556 5.551 1.00 0.00 O ATOM 99 O5' C A 45 0.386 9.374 3.183 1.00 0.00 O ATOM 100 C5' C A 45 0.712 10.263 2.112 1.00 0.00 C ATOM 101 C4' C A 45 0.209 9.743 0.762 1.00 0.00 C ATOM 102 O4' C A 45 0.889 8.539 0.411 1.00 0.00 O ATOM 103 C3' C A 45 -1.268 9.392 0.690 1.00 0.00 C ATOM 104 O3' C A 45 -2.062 10.563 0.476 1.00 0.00 O ATOM 105 C2' C A 45 -1.302 8.504 -0.533 1.00 0.00 C ATOM 106 O2' C A 45 -1.327 9.272 -1.742 1.00 0.00 O ATOM 107 C1' C A 45 0.002 7.730 -0.388 1.00 0.00 C ATOM 108 N1 C A 45 -0.172 6.435 0.293 1.00 0.00 N ATOM 109 C2 C A 45 -0.582 5.368 -0.481 1.00 0.00 C ATOM 110 O2 C A 45 -0.792 5.529 -1.684 1.00 0.00 O ATOM 111 N3 C A 45 -0.753 4.160 0.127 1.00 0.00 N ATOM 112 C4 C A 45 -0.525 4.008 1.436 1.00 0.00 C ATOM 113 N4 C A 45 -0.698 2.808 1.994 1.00 0.00 N ATOM 114 C5 C A 45 -0.101 5.113 2.239 1.00 0.00 C ATOM 115 C6 C A 45 0.055 6.303 1.630 1.00 0.00 C ATOM 0 H5' C A 45 1.793 10.398 2.069 1.00 0.00 H new ATOM 0 H5'' C A 45 0.276 11.243 2.308 1.00 0.00 H new ATOM 0 H4' C A 45 0.399 10.581 0.092 1.00 0.00 H new ATOM 0 H3' C A 45 -1.661 8.932 1.597 1.00 0.00 H new ATOM 0 H2' C A 45 -2.187 7.871 -0.595 1.00 0.00 H new ATOM 0 HO2' C A 45 -1.372 10.226 -1.523 1.00 0.00 H new ATOM 0 H1' C A 45 0.391 7.524 -1.385 1.00 0.00 H new ATOM 0 H41 C A 45 -0.527 2.680 2.991 1.00 0.00 H new ATOM 0 H42 C A 45 -1.001 2.019 1.423 1.00 0.00 H new ATOM 0 H5 C A 45 0.087 4.997 3.296 1.00 0.00 H new ATOM 0 H6 C A 45 0.363 7.162 2.207 1.00 0.00 H new ATOM 127 P U A 46 -3.597 10.627 0.969 1.00 0.00 P ATOM 128 OP1 U A 46 -4.102 11.996 0.724 1.00 0.00 O ATOM 129 OP2 U A 46 -3.668 10.050 2.330 1.00 0.00 O ATOM 130 O5' U A 46 -4.359 9.621 -0.044 1.00 0.00 O ATOM 131 C5' U A 46 -4.440 9.925 -1.440 1.00 0.00 C ATOM 132 C4' U A 46 -5.095 8.801 -2.255 1.00 0.00 C ATOM 133 O4' U A 46 -4.287 7.620 -2.226 1.00 0.00 O ATOM 134 C3' U A 46 -6.458 8.352 -1.760 1.00 0.00 C ATOM 135 O3' U A 46 -7.476 9.254 -2.227 1.00 0.00 O ATOM 136 C2' U A 46 -6.576 7.003 -2.448 1.00 0.00 C ATOM 137 O2' U A 46 -6.982 7.142 -3.814 1.00 0.00 O ATOM 138 C1' U A 46 -5.151 6.467 -2.338 1.00 0.00 C ATOM 139 N1 U A 46 -4.940 5.619 -1.146 1.00 0.00 N ATOM 140 C2 U A 46 -5.284 4.281 -1.240 1.00 0.00 C ATOM 141 O2 U A 46 -5.719 3.785 -2.274 1.00 0.00 O ATOM 142 N3 U A 46 -5.109 3.527 -0.096 1.00 0.00 N ATOM 143 C4 U A 46 -4.627 3.984 1.116 1.00 0.00 C ATOM 144 O4 U A 46 -4.514 3.219 2.069 1.00 0.00 O ATOM 145 C5 U A 46 -4.293 5.390 1.126 1.00 0.00 C ATOM 146 C6 U A 46 -4.457 6.151 0.017 1.00 0.00 C ATOM 0 H5' U A 46 -3.438 10.111 -1.826 1.00 0.00 H new ATOM 0 H5'' U A 46 -5.009 10.845 -1.575 1.00 0.00 H new ATOM 0 H4' U A 46 -5.201 9.241 -3.247 1.00 0.00 H new ATOM 0 H3' U A 46 -6.568 8.318 -0.676 1.00 0.00 H new ATOM 0 H2' U A 46 -7.327 6.349 -2.005 1.00 0.00 H new ATOM 0 HO2' U A 46 -7.258 8.068 -3.981 1.00 0.00 H new ATOM 0 H1' U A 46 -4.944 5.848 -3.211 1.00 0.00 H new ATOM 0 H3 U A 46 -5.359 2.540 -0.151 1.00 0.00 H new ATOM 0 H5 U A 46 -3.908 5.840 2.029 1.00 0.00 H new ATOM 0 H6 U A 46 -4.201 7.200 0.053 1.00 0.00 H new ATOM 157 P C A 47 -8.844 9.472 -1.389 1.00 0.00 P ATOM 158 OP1 C A 47 -9.603 10.565 -2.036 1.00 0.00 O ATOM 159 OP2 C A 47 -8.489 9.576 0.044 1.00 0.00 O ATOM 160 O5' C A 47 -9.671 8.101 -1.599 1.00 0.00 O ATOM 161 C5' C A 47 -10.170 7.745 -2.892 1.00 0.00 C ATOM 162 C4' C A 47 -10.804 6.353 -2.903 1.00 0.00 C ATOM 163 O4' C A 47 -9.830 5.354 -2.692 1.00 0.00 O ATOM 164 C3' C A 47 -11.877 6.112 -1.859 1.00 0.00 C ATOM 165 O3' C A 47 -13.121 6.651 -2.334 1.00 0.00 O ATOM 166 C2' C A 47 -11.911 4.591 -1.783 1.00 0.00 C ATOM 167 O2' C A 47 -12.830 4.043 -2.732 1.00 0.00 O ATOM 168 C1' C A 47 -10.463 4.197 -2.116 1.00 0.00 C ATOM 169 N1 C A 47 -9.654 3.834 -0.947 1.00 0.00 N ATOM 170 C2 C A 47 -9.709 2.531 -0.498 1.00 0.00 C ATOM 171 O2 C A 47 -10.434 1.714 -1.069 1.00 0.00 O ATOM 172 N3 C A 47 -8.937 2.192 0.574 1.00 0.00 N ATOM 173 C4 C A 47 -8.150 3.100 1.171 1.00 0.00 C ATOM 174 N4 C A 47 -7.401 2.735 2.210 1.00 0.00 N ATOM 175 C5 C A 47 -8.106 4.449 0.709 1.00 0.00 C ATOM 176 C6 C A 47 -8.875 4.769 -0.345 1.00 0.00 C ATOM 0 H5' C A 47 -9.355 7.777 -3.616 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.908 8.481 -3.210 1.00 0.00 H new ATOM 0 H4' C A 47 -11.267 6.303 -3.888 1.00 0.00 H new ATOM 0 H3' C A 47 -11.696 6.576 -0.890 1.00 0.00 H new ATOM 0 H2' C A 47 -12.246 4.217 -0.815 1.00 0.00 H new ATOM 0 HO2' C A 47 -13.695 3.890 -2.298 1.00 0.00 H new ATOM 0 H1' C A 47 -10.516 3.328 -2.772 1.00 0.00 H new ATOM 0 H41 C A 47 -6.800 3.418 2.670 1.00 0.00 H new ATOM 0 H42 C A 47 -7.429 1.772 2.545 1.00 0.00 H new ATOM 0 H5 C A 47 -7.478 5.185 1.189 1.00 0.00 H new ATOM 0 H6 C A 47 -8.874 5.783 -0.718 1.00 0.00 H new ATOM 188 P U A 48 -14.281 7.163 -1.330 1.00 0.00 P ATOM 189 OP1 U A 48 -15.332 7.817 -2.141 1.00 0.00 O ATOM 190 OP2 U A 48 -13.635 7.910 -0.227 1.00 0.00 O ATOM 191 O5' U A 48 -14.897 5.804 -0.718 1.00 0.00 O ATOM 192 C5' U A 48 -16.275 5.769 -0.310 1.00 0.00 C ATOM 193 C4' U A 48 -16.712 4.371 0.124 1.00 0.00 C ATOM 194 O4' U A 48 -16.739 3.500 -1.012 1.00 0.00 O ATOM 195 C3' U A 48 -15.807 3.736 1.178 1.00 0.00 C ATOM 196 O3' U A 48 -16.627 2.980 2.090 1.00 0.00 O ATOM 197 C2' U A 48 -14.944 2.804 0.340 1.00 0.00 C ATOM 198 O2' U A 48 -14.475 1.684 1.087 1.00 0.00 O ATOM 199 C1' U A 48 -15.892 2.381 -0.760 1.00 0.00 C ATOM 200 N1 U A 48 -15.233 2.026 -2.027 1.00 0.00 N ATOM 201 C2 U A 48 -14.762 0.735 -2.166 1.00 0.00 C ATOM 202 O2 U A 48 -14.881 -0.104 -1.276 1.00 0.00 O ATOM 203 N3 U A 48 -14.147 0.440 -3.370 1.00 0.00 N ATOM 204 C4 U A 48 -13.967 1.312 -4.430 1.00 0.00 C ATOM 205 O4 U A 48 -13.404 0.942 -5.457 1.00 0.00 O ATOM 206 C5 U A 48 -14.491 2.639 -4.195 1.00 0.00 C ATOM 207 C6 U A 48 -15.095 2.950 -3.023 1.00 0.00 C ATOM 0 H5' U A 48 -16.905 6.106 -1.134 1.00 0.00 H new ATOM 0 H5'' U A 48 -16.426 6.467 0.513 1.00 0.00 H new ATOM 0 H4' U A 48 -17.699 4.496 0.569 1.00 0.00 H new ATOM 0 H3' U A 48 -15.226 4.441 1.772 1.00 0.00 H new ATOM 0 H2' U A 48 -14.034 3.280 -0.025 1.00 0.00 H new ATOM 0 HO2' U A 48 -13.512 1.777 1.246 1.00 0.00 H new ATOM 0 H1' U A 48 -16.415 1.486 -0.422 1.00 0.00 H new ATOM 0 H3 U A 48 -13.793 -0.509 -3.488 1.00 0.00 H new ATOM 0 H5 U A 48 -14.400 3.392 -4.964 1.00 0.00 H new ATOM 0 H6 U A 48 -15.475 3.950 -2.873 1.00 0.00 H new ATOM 218 P U A 49 -16.291 2.770 3.666 1.00 0.00 P ATOM 219 OP1 U A 49 -17.428 2.049 4.282 1.00 0.00 O ATOM 220 OP2 U A 49 -15.869 4.076 4.220 1.00 0.00 O ATOM 221 O5' U A 49 -15.015 1.789 3.687 1.00 0.00 O ATOM 222 C5' U A 49 -15.089 0.473 3.150 1.00 0.00 C ATOM 223 C4' U A 49 -13.722 -0.205 3.168 1.00 0.00 C ATOM 224 O4' U A 49 -12.811 0.592 2.383 1.00 0.00 O ATOM 225 C3' U A 49 -13.080 -0.345 4.550 1.00 0.00 C ATOM 226 O3' U A 49 -12.426 -1.612 4.578 1.00 0.00 O ATOM 227 C2' U A 49 -12.059 0.763 4.641 1.00 0.00 C ATOM 228 O2' U A 49 -10.918 0.366 5.407 1.00 0.00 O ATOM 229 C1' U A 49 -11.695 1.008 3.197 1.00 0.00 C ATOM 230 N1 U A 49 -11.395 2.427 2.927 1.00 0.00 N ATOM 231 C2 U A 49 -10.117 2.864 3.211 1.00 0.00 C ATOM 232 O2 U A 49 -9.257 2.111 3.661 1.00 0.00 O ATOM 233 N3 U A 49 -9.862 4.201 2.968 1.00 0.00 N ATOM 234 C4 U A 49 -10.763 5.126 2.472 1.00 0.00 C ATOM 235 O4 U A 49 -10.428 6.295 2.294 1.00 0.00 O ATOM 236 C5 U A 49 -12.075 4.581 2.204 1.00 0.00 C ATOM 237 C6 U A 49 -12.346 3.273 2.438 1.00 0.00 C ATOM 0 H5' U A 49 -15.464 0.515 2.128 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.800 -0.119 3.727 1.00 0.00 H new ATOM 0 H4' U A 49 -13.894 -1.210 2.783 1.00 0.00 H new ATOM 0 H3' U A 49 -13.794 -0.282 5.371 1.00 0.00 H new ATOM 0 H2' U A 49 -12.438 1.652 5.145 1.00 0.00 H new ATOM 0 HO2' U A 49 -11.208 -0.180 6.167 1.00 0.00 H new ATOM 0 H1' U A 49 -10.794 0.440 2.964 1.00 0.00 H new ATOM 0 H3 U A 49 -8.921 4.537 3.174 1.00 0.00 H new ATOM 0 H5 U A 49 -12.849 5.224 1.812 1.00 0.00 H new ATOM 0 H6 U A 49 -13.336 2.893 2.233 1.00 0.00 H new ATOM 248 P G A 50 -11.959 -2.340 5.932 1.00 0.00 P ATOM 249 OP1 G A 50 -13.138 -2.499 6.813 1.00 0.00 O ATOM 250 OP2 G A 50 -10.735 -1.677 6.433 1.00 0.00 O ATOM 251 O5' G A 50 -11.556 -3.782 5.348 1.00 0.00 O ATOM 252 C5' G A 50 -12.574 -4.664 4.872 1.00 0.00 C ATOM 253 C4' G A 50 -12.004 -5.787 4.021 1.00 0.00 C ATOM 254 O4' G A 50 -11.568 -5.225 2.789 1.00 0.00 O ATOM 255 C3' G A 50 -10.813 -6.510 4.638 1.00 0.00 C ATOM 256 O3' G A 50 -11.164 -7.833 5.016 1.00 0.00 O ATOM 257 C2' G A 50 -9.806 -6.585 3.498 1.00 0.00 C ATOM 258 O2' G A 50 -9.986 -7.780 2.728 1.00 0.00 O ATOM 259 C1' G A 50 -10.153 -5.355 2.686 1.00 0.00 C ATOM 260 N9 G A 50 -9.542 -4.107 3.185 1.00 0.00 N ATOM 261 C8 G A 50 -8.855 -3.882 4.353 1.00 0.00 C ATOM 262 N7 G A 50 -8.353 -2.686 4.451 1.00 0.00 N ATOM 263 C5 G A 50 -8.728 -2.070 3.266 1.00 0.00 C ATOM 264 C6 G A 50 -8.470 -0.753 2.813 1.00 0.00 C ATOM 265 O6 G A 50 -7.829 0.132 3.380 1.00 0.00 O ATOM 266 N1 G A 50 -9.039 -0.526 1.562 1.00 0.00 N ATOM 267 C2 G A 50 -9.759 -1.460 0.839 1.00 0.00 C ATOM 268 N2 G A 50 -10.234 -1.069 -0.344 1.00 0.00 N ATOM 269 N3 G A 50 -9.994 -2.701 1.269 1.00 0.00 N ATOM 270 C4 G A 50 -9.453 -2.933 2.484 1.00 0.00 C ATOM 0 H5' G A 50 -13.299 -4.098 4.287 1.00 0.00 H new ATOM 0 H5'' G A 50 -13.111 -5.089 5.720 1.00 0.00 H new ATOM 0 H4' G A 50 -12.800 -6.523 3.911 1.00 0.00 H new ATOM 0 H3' G A 50 -10.444 -6.002 5.529 1.00 0.00 H new ATOM 0 H2' G A 50 -8.768 -6.613 3.830 1.00 0.00 H new ATOM 0 HO2' G A 50 -9.531 -8.526 3.171 1.00 0.00 H new ATOM 0 H1' G A 50 -9.778 -5.488 1.671 1.00 0.00 H new ATOM 0 H8 G A 50 -8.742 -4.632 5.122 1.00 0.00 H new ATOM 0 H1 G A 50 -8.916 0.398 1.148 1.00 0.00 H new ATOM 0 H21 G A 50 -10.772 -1.719 -0.918 1.00 0.00 H new ATOM 0 H22 G A 50 -10.060 -0.120 -0.675 1.00 0.00 H new ATOM 282 P U A 51 -10.051 -8.746 5.720 1.00 0.00 P ATOM 283 OP1 U A 51 -10.694 -9.999 6.175 1.00 0.00 O ATOM 284 OP2 U A 51 -9.300 -7.906 6.681 1.00 0.00 O ATOM 285 O5' U A 51 -9.081 -9.092 4.484 1.00 0.00 O ATOM 286 C5' U A 51 -7.724 -9.477 4.699 1.00 0.00 C ATOM 287 C4' U A 51 -7.092 -9.984 3.412 1.00 0.00 C ATOM 288 O4' U A 51 -7.752 -11.186 3.005 1.00 0.00 O ATOM 289 C3' U A 51 -7.161 -9.015 2.237 1.00 0.00 C ATOM 290 O3' U A 51 -5.953 -9.160 1.490 1.00 0.00 O ATOM 291 C2' U A 51 -8.355 -9.480 1.427 1.00 0.00 C ATOM 292 O2' U A 51 -8.127 -9.305 0.024 1.00 0.00 O ATOM 293 C1' U A 51 -8.475 -10.960 1.787 1.00 0.00 C ATOM 294 N1 U A 51 -9.865 -11.443 1.998 1.00 0.00 N ATOM 295 C2 U A 51 -10.257 -12.589 1.323 1.00 0.00 C ATOM 296 O2 U A 51 -9.504 -13.182 0.554 1.00 0.00 O ATOM 297 N3 U A 51 -11.545 -13.029 1.562 1.00 0.00 N ATOM 298 C4 U A 51 -12.468 -12.436 2.404 1.00 0.00 C ATOM 299 O4 U A 51 -13.591 -12.916 2.540 1.00 0.00 O ATOM 300 C5 U A 51 -11.980 -11.249 3.069 1.00 0.00 C ATOM 301 C6 U A 51 -10.721 -10.795 2.854 1.00 0.00 C ATOM 0 H5' U A 51 -7.679 -10.255 5.462 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.156 -8.627 5.077 1.00 0.00 H new ATOM 0 H4' U A 51 -6.039 -10.131 3.651 1.00 0.00 H new ATOM 0 H3' U A 51 -7.265 -7.969 2.525 1.00 0.00 H new ATOM 0 H2' U A 51 -9.262 -8.916 1.646 1.00 0.00 H new ATOM 0 HO2' U A 51 -8.911 -9.614 -0.476 1.00 0.00 H new ATOM 0 H1' U A 51 -8.077 -11.509 0.934 1.00 0.00 H new ATOM 0 H3 U A 51 -11.843 -13.871 1.071 1.00 0.00 H new ATOM 0 H5 U A 51 -12.629 -10.715 3.748 1.00 0.00 H new ATOM 0 H6 U A 51 -10.384 -9.906 3.366 1.00 0.00 H new ATOM 312 P A A 52 -4.846 -7.999 1.361 1.00 0.00 P ATOM 313 OP1 A A 52 -3.648 -8.574 0.710 1.00 0.00 O ATOM 314 OP2 A A 52 -4.721 -7.333 2.677 1.00 0.00 O ATOM 315 O5' A A 52 -5.523 -6.962 0.338 1.00 0.00 O ATOM 316 C5' A A 52 -6.395 -7.437 -0.688 1.00 0.00 C ATOM 317 C4' A A 52 -6.761 -6.336 -1.671 1.00 0.00 C ATOM 318 O4' A A 52 -7.510 -5.284 -1.044 1.00 0.00 O ATOM 319 C3' A A 52 -5.550 -5.662 -2.281 1.00 0.00 C ATOM 320 O3' A A 52 -5.070 -6.462 -3.370 1.00 0.00 O ATOM 321 C2' A A 52 -6.138 -4.357 -2.769 1.00 0.00 C ATOM 322 O2' A A 52 -6.825 -4.523 -4.016 1.00 0.00 O ATOM 323 C1' A A 52 -7.104 -4.030 -1.637 1.00 0.00 C ATOM 324 N9 A A 52 -6.515 -3.203 -0.569 1.00 0.00 N ATOM 325 C8 A A 52 -6.083 -3.584 0.679 1.00 0.00 C ATOM 326 N7 A A 52 -5.644 -2.592 1.406 1.00 0.00 N ATOM 327 C5 A A 52 -5.796 -1.478 0.580 1.00 0.00 C ATOM 328 C6 A A 52 -5.511 -0.113 0.759 1.00 0.00 C ATOM 329 N6 A A 52 -4.995 0.382 1.880 1.00 0.00 N ATOM 330 N1 A A 52 -5.778 0.716 -0.263 1.00 0.00 N ATOM 331 C2 A A 52 -6.296 0.216 -1.380 1.00 0.00 C ATOM 332 N3 A A 52 -6.610 -1.038 -1.667 1.00 0.00 N ATOM 333 C4 A A 52 -6.327 -1.844 -0.622 1.00 0.00 C ATOM 0 H5' A A 52 -7.303 -7.838 -0.237 1.00 0.00 H new ATOM 0 H5'' A A 52 -5.915 -8.257 -1.222 1.00 0.00 H new ATOM 0 H4' A A 52 -7.345 -6.847 -2.437 1.00 0.00 H new ATOM 0 H3' A A 52 -4.704 -5.523 -1.608 1.00 0.00 H new ATOM 0 H2' A A 52 -5.401 -3.579 -2.968 1.00 0.00 H new ATOM 0 HO2' A A 52 -6.771 -5.460 -4.297 1.00 0.00 H new ATOM 0 H1' A A 52 -7.928 -3.460 -2.066 1.00 0.00 H new ATOM 0 H8 A A 52 -6.105 -4.607 1.025 1.00 0.00 H new ATOM 0 H61 A A 52 -4.807 1.382 1.957 1.00 0.00 H new ATOM 0 H62 A A 52 -4.787 -0.238 2.663 1.00 0.00 H new ATOM 0 H2 A A 52 -6.488 0.933 -2.164 1.00 0.00 H new ATOM 345 P G A 53 -3.524 -6.434 -3.818 1.00 0.00 P ATOM 346 OP1 G A 53 -3.329 -7.447 -4.880 1.00 0.00 O ATOM 347 OP2 G A 53 -2.685 -6.468 -2.599 1.00 0.00 O ATOM 348 O5' G A 53 -3.390 -4.980 -4.480 1.00 0.00 O ATOM 349 C5' G A 53 -4.113 -4.663 -5.668 1.00 0.00 C ATOM 350 C4' G A 53 -3.962 -3.192 -6.020 1.00 0.00 C ATOM 351 O4' G A 53 -4.555 -2.377 -5.006 1.00 0.00 O ATOM 352 C3' G A 53 -2.529 -2.713 -6.125 1.00 0.00 C ATOM 353 O3' G A 53 -1.982 -3.040 -7.405 1.00 0.00 O ATOM 354 C2' G A 53 -2.724 -1.216 -5.992 1.00 0.00 C ATOM 355 O2' G A 53 -3.192 -0.636 -7.216 1.00 0.00 O ATOM 356 C1' G A 53 -3.791 -1.162 -4.904 1.00 0.00 C ATOM 357 N9 G A 53 -3.224 -1.080 -3.546 1.00 0.00 N ATOM 358 C8 G A 53 -2.975 -2.082 -2.645 1.00 0.00 C ATOM 359 N7 G A 53 -2.436 -1.669 -1.532 1.00 0.00 N ATOM 360 C5 G A 53 -2.316 -0.295 -1.710 1.00 0.00 C ATOM 361 C6 G A 53 -1.791 0.695 -0.835 1.00 0.00 C ATOM 362 O6 G A 53 -1.334 0.544 0.299 1.00 0.00 O ATOM 363 N1 G A 53 -1.851 1.964 -1.411 1.00 0.00 N ATOM 364 C2 G A 53 -2.357 2.239 -2.670 1.00 0.00 C ATOM 365 N2 G A 53 -2.336 3.513 -3.063 1.00 0.00 N ATOM 366 N3 G A 53 -2.851 1.306 -3.483 1.00 0.00 N ATOM 367 C4 G A 53 -2.796 0.071 -2.941 1.00 0.00 C ATOM 0 H5' G A 53 -5.168 -4.902 -5.531 1.00 0.00 H new ATOM 0 H5'' G A 53 -3.752 -5.277 -6.493 1.00 0.00 H new ATOM 0 H4' G A 53 -4.444 -3.101 -6.993 1.00 0.00 H new ATOM 0 H3' G A 53 -1.846 -3.150 -5.397 1.00 0.00 H new ATOM 0 H2' G A 53 -1.815 -0.661 -5.761 1.00 0.00 H new ATOM 0 HO2' G A 53 -3.087 -1.282 -7.945 1.00 0.00 H new ATOM 0 H1' G A 53 -4.393 -0.266 -5.053 1.00 0.00 H new ATOM 0 H8 G A 53 -3.204 -3.119 -2.839 1.00 0.00 H new ATOM 0 H1 G A 53 -1.496 2.748 -0.864 1.00 0.00 H new ATOM 0 H21 G A 53 -2.697 3.769 -3.982 1.00 0.00 H new ATOM 0 H22 G A 53 -1.959 4.231 -2.445 1.00 0.00 H new ATOM 379 P A A 54 -0.399 -3.284 -7.579 1.00 0.00 P ATOM 380 OP1 A A 54 -0.142 -3.688 -8.980 1.00 0.00 O ATOM 381 OP2 A A 54 0.064 -4.143 -6.466 1.00 0.00 O ATOM 382 O5' A A 54 0.200 -1.810 -7.362 1.00 0.00 O ATOM 383 C5' A A 54 -0.098 -0.761 -8.276 1.00 0.00 C ATOM 384 C4' A A 54 0.442 0.572 -7.774 1.00 0.00 C ATOM 385 O4' A A 54 -0.214 0.964 -6.563 1.00 0.00 O ATOM 386 C3' A A 54 1.918 0.578 -7.430 1.00 0.00 C ATOM 387 O3' A A 54 2.714 0.744 -8.601 1.00 0.00 O ATOM 388 C2' A A 54 2.012 1.818 -6.574 1.00 0.00 C ATOM 389 O2' A A 54 2.076 3.005 -7.372 1.00 0.00 O ATOM 390 C1' A A 54 0.718 1.747 -5.786 1.00 0.00 C ATOM 391 N9 A A 54 0.874 1.119 -4.461 1.00 0.00 N ATOM 392 C8 A A 54 0.572 -0.156 -4.059 1.00 0.00 C ATOM 393 N7 A A 54 0.793 -0.375 -2.791 1.00 0.00 N ATOM 394 C5 A A 54 1.282 0.841 -2.326 1.00 0.00 C ATOM 395 C6 A A 54 1.711 1.275 -1.061 1.00 0.00 C ATOM 396 N6 A A 54 1.708 0.498 0.024 1.00 0.00 N ATOM 397 N1 A A 54 2.140 2.543 -0.963 1.00 0.00 N ATOM 398 C2 A A 54 2.141 3.317 -2.040 1.00 0.00 C ATOM 399 N3 A A 54 1.760 3.030 -3.270 1.00 0.00 N ATOM 400 C4 A A 54 1.336 1.753 -3.340 1.00 0.00 C ATOM 0 H5' A A 54 -1.177 -0.691 -8.415 1.00 0.00 H new ATOM 0 H5'' A A 54 0.335 -0.989 -9.250 1.00 0.00 H new ATOM 0 H4' A A 54 0.260 1.245 -8.612 1.00 0.00 H new ATOM 0 H3' A A 54 2.265 -0.340 -6.957 1.00 0.00 H new ATOM 0 H2' A A 54 2.907 1.858 -5.953 1.00 0.00 H new ATOM 0 HO2' A A 54 2.073 2.762 -8.321 1.00 0.00 H new ATOM 0 H1' A A 54 0.371 2.765 -5.610 1.00 0.00 H new ATOM 0 H8 A A 54 0.187 -0.910 -4.729 1.00 0.00 H new ATOM 0 H61 A A 54 2.032 0.869 0.918 1.00 0.00 H new ATOM 0 H62 A A 54 1.382 -0.466 -0.040 1.00 0.00 H new ATOM 0 H2 A A 54 2.504 4.323 -1.889 1.00 0.00 H new ATOM 412 P U A 55 4.219 0.181 -8.655 1.00 0.00 P ATOM 413 OP1 U A 55 4.769 0.440 -10.004 1.00 0.00 O ATOM 414 OP2 U A 55 4.228 -1.190 -8.096 1.00 0.00 O ATOM 415 O5' U A 55 4.947 1.163 -7.610 1.00 0.00 O ATOM 416 C5' U A 55 5.032 2.560 -7.872 1.00 0.00 C ATOM 417 C4' U A 55 5.596 3.320 -6.675 1.00 0.00 C ATOM 418 O4' U A 55 4.719 3.192 -5.556 1.00 0.00 O ATOM 419 C3' U A 55 6.930 2.816 -6.162 1.00 0.00 C ATOM 420 O3' U A 55 8.006 3.331 -6.952 1.00 0.00 O ATOM 421 C2' U A 55 6.963 3.434 -4.777 1.00 0.00 C ATOM 422 O2' U A 55 7.426 4.789 -4.817 1.00 0.00 O ATOM 423 C1' U A 55 5.497 3.355 -4.353 1.00 0.00 C ATOM 424 N1 U A 55 5.228 2.217 -3.455 1.00 0.00 N ATOM 425 C2 U A 55 5.491 2.408 -2.117 1.00 0.00 C ATOM 426 O2 U A 55 5.910 3.481 -1.684 1.00 0.00 O ATOM 427 N3 U A 55 5.260 1.328 -1.292 1.00 0.00 N ATOM 428 C4 U A 55 4.790 0.088 -1.677 1.00 0.00 C ATOM 429 O4 U A 55 4.613 -0.798 -0.839 1.00 0.00 O ATOM 430 C5 U A 55 4.540 -0.028 -3.100 1.00 0.00 C ATOM 431 C6 U A 55 4.768 1.019 -3.930 1.00 0.00 C ATOM 0 H5' U A 55 4.042 2.946 -8.116 1.00 0.00 H new ATOM 0 H5'' U A 55 5.665 2.730 -8.743 1.00 0.00 H new ATOM 0 H4' U A 55 5.711 4.338 -7.049 1.00 0.00 H new ATOM 0 H3' U A 55 7.035 1.731 -6.184 1.00 0.00 H new ATOM 0 H2' U A 55 7.644 2.930 -4.091 1.00 0.00 H new ATOM 0 HO2' U A 55 7.665 5.026 -5.737 1.00 0.00 H new ATOM 0 H1' U A 55 5.239 4.262 -3.806 1.00 0.00 H new ATOM 0 H3 U A 55 5.456 1.458 -0.299 1.00 0.00 H new ATOM 0 H5 U A 55 4.168 -0.958 -3.503 1.00 0.00 H new ATOM 0 H6 U A 55 4.583 0.905 -4.988 1.00 0.00 H new ATOM 442 P C A 56 9.386 2.508 -7.098 1.00 0.00 P ATOM 443 OP1 C A 56 10.253 3.229 -8.056 1.00 0.00 O ATOM 444 OP2 C A 56 9.050 1.086 -7.337 1.00 0.00 O ATOM 445 O5' C A 56 10.050 2.626 -5.633 1.00 0.00 O ATOM 446 C5' C A 56 10.481 3.886 -5.117 1.00 0.00 C ATOM 447 C4' C A 56 11.014 3.757 -3.689 1.00 0.00 C ATOM 448 O4' C A 56 9.980 3.377 -2.791 1.00 0.00 O ATOM 449 C3' C A 56 12.094 2.711 -3.505 1.00 0.00 C ATOM 450 O3' C A 56 13.360 3.253 -3.897 1.00 0.00 O ATOM 451 C2' C A 56 12.056 2.478 -2.000 1.00 0.00 C ATOM 452 O2' C A 56 12.942 3.370 -1.313 1.00 0.00 O ATOM 453 C1' C A 56 10.591 2.762 -1.642 1.00 0.00 C ATOM 454 N1 C A 56 9.809 1.552 -1.311 1.00 0.00 N ATOM 455 C2 C A 56 9.900 1.063 -0.016 1.00 0.00 C ATOM 456 O2 C A 56 10.628 1.622 0.801 1.00 0.00 O ATOM 457 N3 C A 56 9.170 -0.043 0.312 1.00 0.00 N ATOM 458 C4 C A 56 8.388 -0.641 -0.601 1.00 0.00 C ATOM 459 N4 C A 56 7.681 -1.716 -0.257 1.00 0.00 N ATOM 460 C5 C A 56 8.299 -0.140 -1.936 1.00 0.00 C ATOM 461 C6 C A 56 9.023 0.950 -2.246 1.00 0.00 C ATOM 0 H5' C A 56 9.649 4.590 -5.133 1.00 0.00 H new ATOM 0 H5'' C A 56 11.259 4.297 -5.761 1.00 0.00 H new ATOM 0 H4' C A 56 11.425 4.746 -3.485 1.00 0.00 H new ATOM 0 H3' C A 56 11.949 1.804 -4.092 1.00 0.00 H new ATOM 0 H2' C A 56 12.380 1.478 -1.713 1.00 0.00 H new ATOM 0 HO2' C A 56 13.266 4.054 -1.936 1.00 0.00 H new ATOM 0 H1' C A 56 10.590 3.395 -0.755 1.00 0.00 H new ATOM 0 H41 C A 56 7.085 -2.176 -0.945 1.00 0.00 H new ATOM 0 H42 C A 56 7.736 -2.079 0.694 1.00 0.00 H new ATOM 0 H5 C A 56 7.671 -0.621 -2.672 1.00 0.00 H new ATOM 0 H6 C A 56 8.981 1.352 -3.247 1.00 0.00 H new ATOM 473 P A A 57 14.545 2.311 -4.453 1.00 0.00 P ATOM 474 OP1 A A 57 15.662 3.182 -4.882 1.00 0.00 O ATOM 475 OP2 A A 57 13.957 1.345 -5.408 1.00 0.00 O ATOM 476 O5' A A 57 15.017 1.498 -3.145 1.00 0.00 O ATOM 477 C5' A A 57 15.593 2.180 -2.030 1.00 0.00 C ATOM 478 C4' A A 57 15.939 1.215 -0.898 1.00 0.00 C ATOM 479 O4' A A 57 14.724 0.671 -0.357 1.00 0.00 O ATOM 480 C3' A A 57 16.806 0.031 -1.338 1.00 0.00 C ATOM 481 O3' A A 57 17.799 -0.277 -0.354 1.00 0.00 O ATOM 482 C2' A A 57 15.811 -1.105 -1.471 1.00 0.00 C ATOM 483 O2' A A 57 16.421 -2.374 -1.211 1.00 0.00 O ATOM 484 C1' A A 57 14.777 -0.758 -0.419 1.00 0.00 C ATOM 485 N9 A A 57 13.425 -1.267 -0.721 1.00 0.00 N ATOM 486 C8 A A 57 12.672 -1.096 -1.854 1.00 0.00 C ATOM 487 N7 A A 57 11.525 -1.716 -1.824 1.00 0.00 N ATOM 488 C5 A A 57 11.519 -2.345 -0.583 1.00 0.00 C ATOM 489 C6 A A 57 10.578 -3.167 0.061 1.00 0.00 C ATOM 490 N6 A A 57 9.411 -3.508 -0.486 1.00 0.00 N ATOM 491 N1 A A 57 10.892 -3.619 1.286 1.00 0.00 N ATOM 492 C2 A A 57 12.056 -3.276 1.825 1.00 0.00 C ATOM 493 N3 A A 57 13.016 -2.515 1.323 1.00 0.00 N ATOM 494 C4 A A 57 12.673 -2.077 0.095 1.00 0.00 C ATOM 0 H5' A A 57 14.896 2.935 -1.665 1.00 0.00 H new ATOM 0 H5'' A A 57 16.493 2.705 -2.349 1.00 0.00 H new ATOM 0 H4' A A 57 16.505 1.796 -0.169 1.00 0.00 H new ATOM 0 H3' A A 57 17.355 0.230 -2.259 1.00 0.00 H new ATOM 0 H2' A A 57 15.395 -1.201 -2.474 1.00 0.00 H new ATOM 0 HO2' A A 57 15.752 -3.084 -1.304 1.00 0.00 H new ATOM 0 HO3' A A 57 17.766 -1.234 -0.145 1.00 0.00 H new ATOM 0 H1' A A 57 15.074 -1.224 0.520 1.00 0.00 H new ATOM 0 H8 A A 57 12.999 -0.502 -2.695 1.00 0.00 H new ATOM 0 H61 A A 57 8.764 -4.108 0.026 1.00 0.00 H new ATOM 0 H62 A A 57 9.165 -3.169 -1.416 1.00 0.00 H new ATOM 0 H2 A A 57 12.246 -3.673 2.811 1.00 0.00 H new TER 507 A A 57