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 -2:sc= -0.489 USER MOD Single : A 42 G O5' : rot 180:sc= -0.0011 USER MOD Single : A 43 A O2' : rot 180:sc= -0.183 USER MOD Single : A 44 U O2' : rot -9:sc= -0.0601 USER MOD Single : A 45 C O2' : rot -6:sc= -0.702 USER MOD Single : A 46 U O2' : rot -11:sc= 0.0692 USER MOD Single : A 47 C O2' : rot -108:sc= -2.41! USER MOD Single : A 48 U O2' : rot -114:sc= -6.44! USER MOD Single : A 49 U O2' : rot 38:sc= -1.44! USER MOD Single : A 50 G O2' : rot -81:sc= -5.71! USER MOD Single : A 51 U O2' : rot -120:sc= -5.47! USER MOD Single : A 52 A O2' : rot -0:sc= -0.445 USER MOD Single : A 53 G O2' : rot 180:sc= -0.185 USER MOD Single : A 54 A O2' : rot 1:sc= -1.58! USER MOD Single : A 55 U O2' : rot -2:sc= -0.978 USER MOD Single : A 56 C O2' : rot 180:sc= -2.01! USER MOD Single : A 57 A O2' : rot -14:sc= 0.255 USER MOD Single : A 57 A O3' : rot 180:sc= 0.253 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.329 -4.668 8.679 1.00 0.00 O ATOM 2 C5' G A 42 7.241 -4.317 9.721 1.00 0.00 C ATOM 3 C4' G A 42 8.094 -3.117 9.334 1.00 0.00 C ATOM 4 O4' G A 42 8.978 -3.439 8.264 1.00 0.00 O ATOM 5 C3' G A 42 7.305 -1.908 8.872 1.00 0.00 C ATOM 6 O3' G A 42 6.836 -1.156 9.996 1.00 0.00 O ATOM 7 C2' G A 42 8.360 -1.141 8.110 1.00 0.00 C ATOM 8 O2' G A 42 9.195 -0.379 8.990 1.00 0.00 O ATOM 9 C1' G A 42 9.135 -2.270 7.442 1.00 0.00 C ATOM 10 N9 G A 42 8.645 -2.618 6.100 1.00 0.00 N ATOM 11 C8 G A 42 7.782 -3.619 5.750 1.00 0.00 C ATOM 12 N7 G A 42 7.528 -3.676 4.473 1.00 0.00 N ATOM 13 C5 G A 42 8.279 -2.633 3.936 1.00 0.00 C ATOM 14 C6 G A 42 8.404 -2.203 2.587 1.00 0.00 C ATOM 15 O6 G A 42 7.866 -2.676 1.589 1.00 0.00 O ATOM 16 N1 G A 42 9.261 -1.111 2.474 1.00 0.00 N ATOM 17 C2 G A 42 9.917 -0.513 3.534 1.00 0.00 C ATOM 18 N2 G A 42 10.703 0.523 3.241 1.00 0.00 N ATOM 19 N3 G A 42 9.799 -0.920 4.803 1.00 0.00 N ATOM 20 C4 G A 42 8.967 -1.980 4.927 1.00 0.00 C ATOM 0 H5' G A 42 7.886 -5.167 9.943 1.00 0.00 H new ATOM 0 H5'' G A 42 6.686 -4.092 10.632 1.00 0.00 H new ATOM 0 H4' G A 42 8.623 -2.868 10.254 1.00 0.00 H new ATOM 0 H3' G A 42 6.415 -2.143 8.288 1.00 0.00 H new ATOM 0 H2' G A 42 7.957 -0.406 7.413 1.00 0.00 H new ATOM 0 HO2' G A 42 8.884 -0.489 9.913 1.00 0.00 H new ATOM 0 HO5' G A 42 5.797 -5.443 8.957 1.00 0.00 H new ATOM 0 H1' G A 42 10.167 -1.935 7.336 1.00 0.00 H new ATOM 0 H8 G A 42 7.350 -4.301 6.467 1.00 0.00 H new ATOM 0 H1 G A 42 9.416 -0.725 1.543 1.00 0.00 H new ATOM 0 H21 G A 42 11.212 1.003 3.983 1.00 0.00 H new ATOM 0 H22 G A 42 10.796 0.836 2.274 1.00 0.00 H new ATOM 33 P A A 43 5.501 -0.258 9.886 1.00 0.00 P ATOM 34 OP1 A A 43 5.208 0.298 11.226 1.00 0.00 O ATOM 35 OP2 A A 43 4.471 -1.048 9.176 1.00 0.00 O ATOM 36 O5' A A 43 5.956 0.954 8.927 1.00 0.00 O ATOM 37 C5' A A 43 6.950 1.885 9.357 1.00 0.00 C ATOM 38 C4' A A 43 7.336 2.858 8.244 1.00 0.00 C ATOM 39 O4' A A 43 7.976 2.163 7.165 1.00 0.00 O ATOM 40 C3' A A 43 6.174 3.599 7.605 1.00 0.00 C ATOM 41 O3' A A 43 5.785 4.723 8.406 1.00 0.00 O ATOM 42 C2' A A 43 6.799 4.049 6.305 1.00 0.00 C ATOM 43 O2' A A 43 7.627 5.203 6.488 1.00 0.00 O ATOM 44 C1' A A 43 7.620 2.822 5.932 1.00 0.00 C ATOM 45 N9 A A 43 6.877 1.863 5.091 1.00 0.00 N ATOM 46 C8 A A 43 6.185 0.737 5.458 1.00 0.00 C ATOM 47 N7 A A 43 5.608 0.121 4.461 1.00 0.00 N ATOM 48 C5 A A 43 5.944 0.896 3.355 1.00 0.00 C ATOM 49 C6 A A 43 5.640 0.788 1.987 1.00 0.00 C ATOM 50 N6 A A 43 4.898 -0.196 1.469 1.00 0.00 N ATOM 51 N1 A A 43 6.135 1.734 1.176 1.00 0.00 N ATOM 52 C2 A A 43 6.876 2.709 1.684 1.00 0.00 C ATOM 53 N3 A A 43 7.230 2.918 2.939 1.00 0.00 N ATOM 54 C4 A A 43 6.719 1.957 3.733 1.00 0.00 C ATOM 0 H5' A A 43 7.836 1.343 9.689 1.00 0.00 H new ATOM 0 H5'' A A 43 6.577 2.444 10.215 1.00 0.00 H new ATOM 0 H4' A A 43 7.983 3.576 8.748 1.00 0.00 H new ATOM 0 H3' A A 43 5.267 3.006 7.486 1.00 0.00 H new ATOM 0 H2' A A 43 6.079 4.353 5.545 1.00 0.00 H new ATOM 0 HO2' A A 43 8.016 5.466 5.628 1.00 0.00 H new ATOM 0 H1' A A 43 8.485 3.149 5.356 1.00 0.00 H new ATOM 0 H8 A A 43 6.123 0.391 6.479 1.00 0.00 H new ATOM 0 H61 A A 43 4.712 -0.220 0.466 1.00 0.00 H new ATOM 0 H62 A A 43 4.518 -0.922 2.076 1.00 0.00 H new ATOM 0 H2 A A 43 7.241 3.434 0.972 1.00 0.00 H new ATOM 66 P U A 44 4.268 5.280 8.359 1.00 0.00 P ATOM 67 OP1 U A 44 4.133 6.330 9.393 1.00 0.00 O ATOM 68 OP2 U A 44 3.352 4.117 8.371 1.00 0.00 O ATOM 69 O5' U A 44 4.161 5.986 6.911 1.00 0.00 O ATOM 70 C5' U A 44 4.936 7.155 6.624 1.00 0.00 C ATOM 71 C4' U A 44 4.810 7.600 5.164 1.00 0.00 C ATOM 72 O4' U A 44 5.377 6.621 4.294 1.00 0.00 O ATOM 73 C3' U A 44 3.393 7.799 4.657 1.00 0.00 C ATOM 74 O3' U A 44 2.879 9.080 5.053 1.00 0.00 O ATOM 75 C2' U A 44 3.625 7.759 3.159 1.00 0.00 C ATOM 76 O2' U A 44 4.127 9.009 2.671 1.00 0.00 O ATOM 77 C1' U A 44 4.665 6.653 3.040 1.00 0.00 C ATOM 78 N1 U A 44 4.070 5.323 2.821 1.00 0.00 N ATOM 79 C2 U A 44 3.759 4.977 1.524 1.00 0.00 C ATOM 80 O2 U A 44 3.981 5.727 0.576 1.00 0.00 O ATOM 81 N3 U A 44 3.181 3.736 1.351 1.00 0.00 N ATOM 82 C4 U A 44 2.890 2.821 2.345 1.00 0.00 C ATOM 83 O4 U A 44 2.380 1.738 2.068 1.00 0.00 O ATOM 84 C5 U A 44 3.244 3.267 3.673 1.00 0.00 C ATOM 85 C6 U A 44 3.811 4.482 3.868 1.00 0.00 C ATOM 0 H5' U A 44 5.984 6.957 6.851 1.00 0.00 H new ATOM 0 H5'' U A 44 4.617 7.968 7.277 1.00 0.00 H new ATOM 0 H4' U A 44 5.326 8.560 5.153 1.00 0.00 H new ATOM 0 H3' U A 44 2.672 7.072 5.031 1.00 0.00 H new ATOM 0 H2' U A 44 2.722 7.582 2.575 1.00 0.00 H new ATOM 0 HO2' U A 44 4.081 9.680 3.383 1.00 0.00 H new ATOM 0 H1' U A 44 5.302 6.866 2.182 1.00 0.00 H new ATOM 0 H3 U A 44 2.945 3.468 0.396 1.00 0.00 H new ATOM 0 H5 U A 44 3.054 2.624 4.520 1.00 0.00 H new ATOM 0 H6 U A 44 4.064 4.793 4.871 1.00 0.00 H new ATOM 96 P C A 45 1.289 9.298 5.250 1.00 0.00 P ATOM 97 OP1 C A 45 1.076 10.660 5.789 1.00 0.00 O ATOM 98 OP2 C A 45 0.753 8.128 5.981 1.00 0.00 O ATOM 99 O5' C A 45 0.708 9.258 3.745 1.00 0.00 O ATOM 100 C5' C A 45 1.050 10.283 2.807 1.00 0.00 C ATOM 101 C4' C A 45 0.535 9.973 1.400 1.00 0.00 C ATOM 102 O4' C A 45 1.194 8.826 0.870 1.00 0.00 O ATOM 103 C3' C A 45 -0.948 9.661 1.287 1.00 0.00 C ATOM 104 O3' C A 45 -1.720 10.865 1.252 1.00 0.00 O ATOM 105 C2' C A 45 -1.002 8.960 -0.053 1.00 0.00 C ATOM 106 O2' C A 45 -1.024 9.897 -1.137 1.00 0.00 O ATOM 107 C1' C A 45 0.293 8.155 -0.033 1.00 0.00 C ATOM 108 N1 C A 45 0.106 6.780 0.458 1.00 0.00 N ATOM 109 C2 C A 45 -0.316 5.833 -0.455 1.00 0.00 C ATOM 110 O2 C A 45 -0.520 6.159 -1.625 1.00 0.00 O ATOM 111 N3 C A 45 -0.498 4.555 -0.019 1.00 0.00 N ATOM 112 C4 C A 45 -0.272 4.223 1.258 1.00 0.00 C ATOM 113 N4 C A 45 -0.455 2.962 1.649 1.00 0.00 N ATOM 114 C5 C A 45 0.162 5.204 2.204 1.00 0.00 C ATOM 115 C6 C A 45 0.331 6.463 1.764 1.00 0.00 C ATOM 0 H5' C A 45 2.133 10.400 2.778 1.00 0.00 H new ATOM 0 H5'' C A 45 0.635 11.234 3.143 1.00 0.00 H new ATOM 0 H4' C A 45 0.737 10.897 0.858 1.00 0.00 H new ATOM 0 H3' C A 45 -1.347 9.080 2.119 1.00 0.00 H new ATOM 0 H2' C A 45 -1.896 8.354 -0.199 1.00 0.00 H new ATOM 0 HO2' C A 45 -1.099 10.807 -0.781 1.00 0.00 H new ATOM 0 H1' C A 45 0.671 8.091 -1.053 1.00 0.00 H new ATOM 0 H41 C A 45 -0.285 2.699 2.620 1.00 0.00 H new ATOM 0 H42 C A 45 -0.765 2.260 0.977 1.00 0.00 H new ATOM 0 H5 C A 45 0.347 4.943 3.235 1.00 0.00 H new ATOM 0 H6 C A 45 0.649 7.232 2.453 1.00 0.00 H new ATOM 127 P U A 46 -3.252 10.882 1.761 1.00 0.00 P ATOM 128 OP1 U A 46 -3.735 12.280 1.723 1.00 0.00 O ATOM 129 OP2 U A 46 -3.325 10.113 3.023 1.00 0.00 O ATOM 130 O5' U A 46 -4.032 10.049 0.617 1.00 0.00 O ATOM 131 C5' U A 46 -4.109 10.555 -0.719 1.00 0.00 C ATOM 132 C4' U A 46 -4.785 9.573 -1.683 1.00 0.00 C ATOM 133 O4' U A 46 -3.999 8.387 -1.825 1.00 0.00 O ATOM 134 C3' U A 46 -6.154 9.086 -1.247 1.00 0.00 C ATOM 135 O3' U A 46 -7.149 10.071 -1.577 1.00 0.00 O ATOM 136 C2' U A 46 -6.299 7.846 -2.114 1.00 0.00 C ATOM 137 O2' U A 46 -6.704 8.180 -3.447 1.00 0.00 O ATOM 138 C1' U A 46 -4.883 7.275 -2.085 1.00 0.00 C ATOM 139 N1 U A 46 -4.678 6.273 -1.017 1.00 0.00 N ATOM 140 C2 U A 46 -5.039 4.963 -1.285 1.00 0.00 C ATOM 141 O2 U A 46 -5.491 4.614 -2.370 1.00 0.00 O ATOM 142 N3 U A 46 -4.860 4.061 -0.254 1.00 0.00 N ATOM 143 C4 U A 46 -4.361 4.346 1.002 1.00 0.00 C ATOM 144 O4 U A 46 -4.245 3.458 1.841 1.00 0.00 O ATOM 145 C5 U A 46 -4.013 5.735 1.197 1.00 0.00 C ATOM 146 C6 U A 46 -4.180 6.639 0.202 1.00 0.00 C ATOM 0 H5' U A 46 -3.104 10.777 -1.078 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.662 11.495 -0.717 1.00 0.00 H new ATOM 0 H4' U A 46 -4.884 10.148 -2.604 1.00 0.00 H new ATOM 0 H3' U A 46 -6.267 8.899 -0.179 1.00 0.00 H new ATOM 0 H2' U A 46 -7.061 7.151 -1.763 1.00 0.00 H new ATOM 0 HO2' U A 46 -6.974 9.121 -3.481 1.00 0.00 H new ATOM 0 H1' U A 46 -4.693 6.774 -3.034 1.00 0.00 H new ATOM 0 H3 U A 46 -5.121 3.092 -0.438 1.00 0.00 H new ATOM 0 H5 U A 46 -3.615 6.056 2.148 1.00 0.00 H new ATOM 0 H6 U A 46 -3.914 7.671 0.376 1.00 0.00 H new ATOM 157 P C A 47 -8.506 10.209 -0.707 1.00 0.00 P ATOM 158 OP1 C A 47 -9.237 11.403 -1.187 1.00 0.00 O ATOM 159 OP2 C A 47 -8.144 10.101 0.724 1.00 0.00 O ATOM 160 O5' C A 47 -9.373 8.907 -1.098 1.00 0.00 O ATOM 161 C5' C A 47 -9.891 8.749 -2.422 1.00 0.00 C ATOM 162 C4' C A 47 -10.559 7.389 -2.612 1.00 0.00 C ATOM 163 O4' C A 47 -9.608 6.351 -2.553 1.00 0.00 O ATOM 164 C3' C A 47 -11.622 7.039 -1.591 1.00 0.00 C ATOM 165 O3' C A 47 -12.859 7.667 -1.967 1.00 0.00 O ATOM 166 C2' C A 47 -11.693 5.523 -1.712 1.00 0.00 C ATOM 167 O2' C A 47 -12.643 5.122 -2.704 1.00 0.00 O ATOM 168 C1' C A 47 -10.260 5.144 -2.123 1.00 0.00 C ATOM 169 N1 C A 47 -9.440 4.615 -1.028 1.00 0.00 N ATOM 170 C2 C A 47 -9.517 3.266 -0.754 1.00 0.00 C ATOM 171 O2 C A 47 -10.262 2.546 -1.420 1.00 0.00 O ATOM 172 N3 C A 47 -8.738 2.774 0.252 1.00 0.00 N ATOM 173 C4 C A 47 -7.926 3.578 0.952 1.00 0.00 C ATOM 174 N4 C A 47 -7.171 3.063 1.922 1.00 0.00 N ATOM 175 C5 C A 47 -7.859 4.976 0.672 1.00 0.00 C ATOM 176 C6 C A 47 -8.635 5.447 -0.318 1.00 0.00 C ATOM 0 H5' C A 47 -9.082 8.861 -3.144 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.613 9.540 -2.627 1.00 0.00 H new ATOM 0 H4' C A 47 -11.036 7.479 -3.588 1.00 0.00 H new ATOM 0 H3' C A 47 -11.416 7.368 -0.572 1.00 0.00 H new ATOM 0 H2' C A 47 -12.020 5.034 -0.794 1.00 0.00 H new ATOM 0 HO2' C A 47 -13.428 4.730 -2.266 1.00 0.00 H new ATOM 0 H1' C A 47 -10.346 4.370 -2.886 1.00 0.00 H new ATOM 0 H41 C A 47 -6.550 3.667 2.460 1.00 0.00 H new ATOM 0 H42 C A 47 -7.214 2.065 2.126 1.00 0.00 H new ATOM 0 H5 C A 47 -7.209 5.630 1.235 1.00 0.00 H new ATOM 0 H6 C A 47 -8.619 6.501 -0.552 1.00 0.00 H new ATOM 188 P U A 48 -13.981 8.082 -0.881 1.00 0.00 P ATOM 189 OP1 U A 48 -15.034 8.850 -1.583 1.00 0.00 O ATOM 190 OP2 U A 48 -13.291 8.681 0.283 1.00 0.00 O ATOM 191 O5' U A 48 -14.618 6.676 -0.414 1.00 0.00 O ATOM 192 C5' U A 48 -15.987 6.630 0.020 1.00 0.00 C ATOM 193 C4' U A 48 -16.451 5.206 0.316 1.00 0.00 C ATOM 194 O4' U A 48 -16.521 4.457 -0.902 1.00 0.00 O ATOM 195 C3' U A 48 -15.539 4.446 1.277 1.00 0.00 C ATOM 196 O3' U A 48 -16.357 3.627 2.134 1.00 0.00 O ATOM 197 C2' U A 48 -14.718 3.581 0.332 1.00 0.00 C ATOM 198 O2' U A 48 -14.271 2.378 0.953 1.00 0.00 O ATOM 199 C1' U A 48 -15.696 3.299 -0.786 1.00 0.00 C ATOM 200 N1 U A 48 -15.070 3.065 -2.098 1.00 0.00 N ATOM 201 C2 U A 48 -14.629 1.786 -2.379 1.00 0.00 C ATOM 202 O2 U A 48 -14.737 0.865 -1.572 1.00 0.00 O ATOM 203 N3 U A 48 -14.056 1.602 -3.624 1.00 0.00 N ATOM 204 C4 U A 48 -13.888 2.572 -4.597 1.00 0.00 C ATOM 205 O4 U A 48 -13.365 2.296 -5.675 1.00 0.00 O ATOM 206 C5 U A 48 -14.377 3.878 -4.215 1.00 0.00 C ATOM 207 C6 U A 48 -14.941 4.081 -3.001 1.00 0.00 C ATOM 0 H5' U A 48 -16.625 7.066 -0.749 1.00 0.00 H new ATOM 0 H5'' U A 48 -16.103 7.242 0.915 1.00 0.00 H new ATOM 0 H4' U A 48 -17.427 5.307 0.792 1.00 0.00 H new ATOM 0 H3' U A 48 -14.924 5.075 1.921 1.00 0.00 H new ATOM 0 H2' U A 48 -13.801 4.066 -0.001 1.00 0.00 H new ATOM 0 HO2' U A 48 -13.294 2.394 1.032 1.00 0.00 H new ATOM 0 H1' U A 48 -16.233 2.385 -0.532 1.00 0.00 H new ATOM 0 H3 U A 48 -13.726 0.663 -3.846 1.00 0.00 H new ATOM 0 H5 U A 48 -14.291 4.703 -4.907 1.00 0.00 H new ATOM 0 H6 U A 48 -15.296 5.067 -2.741 1.00 0.00 H new ATOM 218 P U A 49 -15.972 3.255 3.668 1.00 0.00 P ATOM 219 OP1 U A 49 -17.110 2.516 4.258 1.00 0.00 O ATOM 220 OP2 U A 49 -15.482 4.488 4.325 1.00 0.00 O ATOM 221 O5' U A 49 -14.732 2.236 3.541 1.00 0.00 O ATOM 222 C5' U A 49 -14.885 0.976 2.895 1.00 0.00 C ATOM 223 C4' U A 49 -13.547 0.255 2.767 1.00 0.00 C ATOM 224 O4' U A 49 -12.632 1.109 2.056 1.00 0.00 O ATOM 225 C3' U A 49 -12.863 -0.099 4.089 1.00 0.00 C ATOM 226 O3' U A 49 -12.265 -1.382 3.912 1.00 0.00 O ATOM 227 C2' U A 49 -11.792 0.949 4.284 1.00 0.00 C ATOM 228 O2' U A 49 -10.642 0.407 4.943 1.00 0.00 O ATOM 229 C1' U A 49 -11.470 1.371 2.868 1.00 0.00 C ATOM 230 N1 U A 49 -11.123 2.801 2.759 1.00 0.00 N ATOM 231 C2 U A 49 -9.821 3.157 3.044 1.00 0.00 C ATOM 232 O2 U A 49 -8.978 2.330 3.384 1.00 0.00 O ATOM 233 N3 U A 49 -9.518 4.502 2.931 1.00 0.00 N ATOM 234 C4 U A 49 -10.395 5.506 2.561 1.00 0.00 C ATOM 235 O4 U A 49 -10.017 6.673 2.489 1.00 0.00 O ATOM 236 C5 U A 49 -11.736 5.042 2.284 1.00 0.00 C ATOM 237 C6 U A 49 -12.053 3.729 2.393 1.00 0.00 C ATOM 0 H5' U A 49 -15.318 1.122 1.906 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.582 0.357 3.460 1.00 0.00 H new ATOM 0 H4' U A 49 -13.777 -0.681 2.258 1.00 0.00 H new ATOM 0 H3' U A 49 -13.540 -0.124 4.943 1.00 0.00 H new ATOM 0 H2' U A 49 -12.113 1.777 4.916 1.00 0.00 H new ATOM 0 HO2' U A 49 -10.479 -0.504 4.620 1.00 0.00 H new ATOM 0 H1' U A 49 -10.599 0.806 2.536 1.00 0.00 H new ATOM 0 H3 U A 49 -8.559 4.779 3.140 1.00 0.00 H new ATOM 0 H5 U A 49 -12.495 5.751 1.986 1.00 0.00 H new ATOM 0 H6 U A 49 -13.064 3.411 2.186 1.00 0.00 H new ATOM 248 P G A 50 -11.789 -2.317 5.128 1.00 0.00 P ATOM 249 OP1 G A 50 -12.943 -2.554 6.024 1.00 0.00 O ATOM 250 OP2 G A 50 -10.519 -1.782 5.668 1.00 0.00 O ATOM 251 O5' G A 50 -11.474 -3.675 4.324 1.00 0.00 O ATOM 252 C5' G A 50 -12.549 -4.431 3.761 1.00 0.00 C ATOM 253 C4' G A 50 -12.062 -5.447 2.738 1.00 0.00 C ATOM 254 O4' G A 50 -11.631 -4.740 1.582 1.00 0.00 O ATOM 255 C3' G A 50 -10.898 -6.312 3.207 1.00 0.00 C ATOM 256 O3' G A 50 -11.311 -7.658 3.378 1.00 0.00 O ATOM 257 C2' G A 50 -9.909 -6.254 2.049 1.00 0.00 C ATOM 258 O2' G A 50 -10.133 -7.324 1.124 1.00 0.00 O ATOM 259 C1' G A 50 -10.227 -4.914 1.421 1.00 0.00 C ATOM 260 N9 G A 50 -9.553 -3.768 2.060 1.00 0.00 N ATOM 261 C8 G A 50 -8.866 -3.716 3.246 1.00 0.00 C ATOM 262 N7 G A 50 -8.318 -2.561 3.490 1.00 0.00 N ATOM 263 C5 G A 50 -8.660 -1.791 2.387 1.00 0.00 C ATOM 264 C6 G A 50 -8.348 -0.440 2.095 1.00 0.00 C ATOM 265 O6 G A 50 -7.677 0.346 2.766 1.00 0.00 O ATOM 266 N1 G A 50 -8.900 -0.044 0.879 1.00 0.00 N ATOM 267 C2 G A 50 -9.650 -0.857 0.047 1.00 0.00 C ATOM 268 N2 G A 50 -10.099 -0.311 -1.084 1.00 0.00 N ATOM 269 N3 G A 50 -9.934 -2.128 0.325 1.00 0.00 N ATOM 270 C4 G A 50 -9.412 -2.524 1.506 1.00 0.00 C ATOM 0 H5' G A 50 -13.259 -3.753 3.288 1.00 0.00 H new ATOM 0 H5'' G A 50 -13.084 -4.948 4.558 1.00 0.00 H new ATOM 0 H4' G A 50 -12.901 -6.118 2.551 1.00 0.00 H new ATOM 0 H3' G A 50 -10.491 -5.967 4.157 1.00 0.00 H new ATOM 0 H2' G A 50 -8.869 -6.356 2.357 1.00 0.00 H new ATOM 0 HO2' G A 50 -9.717 -8.143 1.465 1.00 0.00 H new ATOM 0 H1' G A 50 -9.884 -4.929 0.387 1.00 0.00 H new ATOM 0 H8 G A 50 -8.787 -4.558 3.917 1.00 0.00 H new ATOM 0 H1 G A 50 -8.739 0.918 0.579 1.00 0.00 H new ATOM 0 H21 G A 50 -10.657 -0.867 -1.732 1.00 0.00 H new ATOM 0 H22 G A 50 -9.885 0.662 -1.300 1.00 0.00 H new ATOM 282 P U A 51 -10.243 -8.722 3.918 1.00 0.00 P ATOM 283 OP1 U A 51 -10.945 -10.001 4.166 1.00 0.00 O ATOM 284 OP2 U A 51 -9.457 -8.087 5.000 1.00 0.00 O ATOM 285 O5' U A 51 -9.285 -8.910 2.638 1.00 0.00 O ATOM 286 C5' U A 51 -7.945 -9.377 2.796 1.00 0.00 C ATOM 287 C4' U A 51 -7.322 -9.723 1.452 1.00 0.00 C ATOM 288 O4' U A 51 -8.030 -10.822 0.877 1.00 0.00 O ATOM 289 C3' U A 51 -7.332 -8.596 0.426 1.00 0.00 C ATOM 290 O3' U A 51 -6.121 -8.698 -0.324 1.00 0.00 O ATOM 291 C2' U A 51 -8.536 -8.883 -0.449 1.00 0.00 C ATOM 292 O2' U A 51 -8.278 -8.535 -1.814 1.00 0.00 O ATOM 293 C1' U A 51 -8.741 -10.392 -0.292 1.00 0.00 C ATOM 294 N1 U A 51 -10.156 -10.824 -0.134 1.00 0.00 N ATOM 295 C2 U A 51 -10.602 -11.866 -0.935 1.00 0.00 C ATOM 296 O2 U A 51 -9.876 -12.404 -1.768 1.00 0.00 O ATOM 297 N3 U A 51 -11.911 -12.267 -0.744 1.00 0.00 N ATOM 298 C4 U A 51 -12.806 -11.729 0.163 1.00 0.00 C ATOM 299 O4 U A 51 -13.951 -12.167 0.248 1.00 0.00 O ATOM 300 C5 U A 51 -12.263 -10.651 0.957 1.00 0.00 C ATOM 301 C6 U A 51 -10.982 -10.237 0.792 1.00 0.00 C ATOM 0 H5' U A 51 -7.937 -10.256 3.441 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.346 -8.613 3.291 1.00 0.00 H new ATOM 0 H4' U A 51 -6.279 -9.949 1.672 1.00 0.00 H new ATOM 0 H3' U A 51 -7.392 -7.596 0.855 1.00 0.00 H new ATOM 0 H2' U A 51 -9.415 -8.305 -0.163 1.00 0.00 H new ATOM 0 HO2' U A 51 -8.921 -7.855 -2.105 1.00 0.00 H new ATOM 0 H1' U A 51 -8.378 -10.839 -1.217 1.00 0.00 H new ATOM 0 H3 U A 51 -12.249 -13.032 -1.327 1.00 0.00 H new ATOM 0 H5 U A 51 -12.887 -10.167 1.694 1.00 0.00 H new ATOM 0 H6 U A 51 -10.604 -9.429 1.401 1.00 0.00 H new ATOM 312 P A A 52 -4.950 -7.594 -0.272 1.00 0.00 P ATOM 313 OP1 A A 52 -3.763 -8.148 -0.961 1.00 0.00 O ATOM 314 OP2 A A 52 -4.834 -7.109 1.121 1.00 0.00 O ATOM 315 O5' A A 52 -5.539 -6.400 -1.170 1.00 0.00 O ATOM 316 C5' A A 52 -6.402 -6.701 -2.265 1.00 0.00 C ATOM 317 C4' A A 52 -6.709 -5.472 -3.107 1.00 0.00 C ATOM 318 O4' A A 52 -7.441 -4.486 -2.363 1.00 0.00 O ATOM 319 C3' A A 52 -5.468 -4.761 -3.606 1.00 0.00 C ATOM 320 O3' A A 52 -4.988 -5.433 -4.779 1.00 0.00 O ATOM 321 C2' A A 52 -6.013 -3.389 -3.934 1.00 0.00 C ATOM 322 O2' A A 52 -6.686 -3.379 -5.199 1.00 0.00 O ATOM 323 C1' A A 52 -6.986 -3.180 -2.782 1.00 0.00 C ATOM 324 N9 A A 52 -6.390 -2.519 -1.609 1.00 0.00 N ATOM 325 C8 A A 52 -5.999 -3.067 -0.411 1.00 0.00 C ATOM 326 N7 A A 52 -5.545 -2.189 0.444 1.00 0.00 N ATOM 327 C5 A A 52 -5.644 -0.977 -0.239 1.00 0.00 C ATOM 328 C6 A A 52 -5.320 0.346 0.114 1.00 0.00 C ATOM 329 N6 A A 52 -4.815 0.683 1.296 1.00 0.00 N ATOM 330 N1 A A 52 -5.539 1.303 -0.804 1.00 0.00 N ATOM 331 C2 A A 52 -6.045 0.962 -1.984 1.00 0.00 C ATOM 332 N3 A A 52 -6.390 -0.235 -2.429 1.00 0.00 N ATOM 333 C4 A A 52 -6.158 -1.172 -1.487 1.00 0.00 C ATOM 0 H5' A A 52 -7.333 -7.122 -1.887 1.00 0.00 H new ATOM 0 H5'' A A 52 -5.939 -7.463 -2.892 1.00 0.00 H new ATOM 0 H4' A A 52 -7.286 -5.865 -3.944 1.00 0.00 H new ATOM 0 H3' A A 52 -4.631 -4.731 -2.908 1.00 0.00 H new ATOM 0 H2' A A 52 -5.252 -2.614 -4.026 1.00 0.00 H new ATOM 0 HO2' A A 52 -6.652 -4.275 -5.595 1.00 0.00 H new ATOM 0 H1' A A 52 -7.784 -2.532 -3.143 1.00 0.00 H new ATOM 0 H8 A A 52 -6.061 -4.124 -0.196 1.00 0.00 H new ATOM 0 H61 A A 52 -4.598 1.659 1.499 1.00 0.00 H new ATOM 0 H62 A A 52 -4.644 -0.034 2.001 1.00 0.00 H new ATOM 0 H2 A A 52 -6.196 1.776 -2.677 1.00 0.00 H new ATOM 345 P G A 53 -3.431 -5.390 -5.197 1.00 0.00 P ATOM 346 OP1 G A 53 -3.240 -6.285 -6.360 1.00 0.00 O ATOM 347 OP2 G A 53 -2.618 -5.583 -3.976 1.00 0.00 O ATOM 348 O5' G A 53 -3.242 -3.875 -5.692 1.00 0.00 O ATOM 349 C5' G A 53 -3.924 -3.414 -6.857 1.00 0.00 C ATOM 350 C4' G A 53 -3.733 -1.917 -7.054 1.00 0.00 C ATOM 351 O4' G A 53 -4.345 -1.199 -5.980 1.00 0.00 O ATOM 352 C3' G A 53 -2.290 -1.455 -7.072 1.00 0.00 C ATOM 353 O3' G A 53 -1.706 -1.660 -8.364 1.00 0.00 O ATOM 354 C2' G A 53 -2.471 0.023 -6.789 1.00 0.00 C ATOM 355 O2' G A 53 -2.913 0.732 -7.954 1.00 0.00 O ATOM 356 C1' G A 53 -3.555 -0.027 -5.718 1.00 0.00 C ATOM 357 N9 G A 53 -3.009 -0.129 -4.356 1.00 0.00 N ATOM 358 C8 G A 53 -2.800 -1.241 -3.581 1.00 0.00 C ATOM 359 N7 G A 53 -2.268 -0.982 -2.419 1.00 0.00 N ATOM 360 C5 G A 53 -2.112 0.400 -2.426 1.00 0.00 C ATOM 361 C6 G A 53 -1.578 1.261 -1.430 1.00 0.00 C ATOM 362 O6 G A 53 -1.139 0.959 -0.321 1.00 0.00 O ATOM 363 N1 G A 53 -1.598 2.592 -1.846 1.00 0.00 N ATOM 364 C2 G A 53 -2.077 3.032 -3.068 1.00 0.00 C ATOM 365 N2 G A 53 -2.018 4.343 -3.302 1.00 0.00 N ATOM 366 N3 G A 53 -2.579 2.219 -3.995 1.00 0.00 N ATOM 367 C4 G A 53 -2.564 0.926 -3.608 1.00 0.00 C ATOM 0 H5' G A 53 -4.987 -3.639 -6.771 1.00 0.00 H new ATOM 0 H5'' G A 53 -3.555 -3.948 -7.732 1.00 0.00 H new ATOM 0 H4' G A 53 -4.180 -1.719 -8.028 1.00 0.00 H new ATOM 0 H3' G A 53 -1.633 -1.977 -6.376 1.00 0.00 H new ATOM 0 H2' G A 53 -1.561 0.542 -6.489 1.00 0.00 H new ATOM 0 HO2' G A 53 -3.021 1.682 -7.737 1.00 0.00 H new ATOM 0 H1' G A 53 -4.132 0.896 -5.763 1.00 0.00 H new ATOM 0 H8 G A 53 -3.053 -2.240 -3.904 1.00 0.00 H new ATOM 0 H1 G A 53 -1.233 3.293 -1.202 1.00 0.00 H new ATOM 0 H21 G A 53 -2.358 4.719 -4.187 1.00 0.00 H new ATOM 0 H22 G A 53 -1.633 4.970 -2.596 1.00 0.00 H new ATOM 379 P A A 54 -0.119 -1.914 -8.514 1.00 0.00 P ATOM 380 OP1 A A 54 0.172 -2.193 -9.938 1.00 0.00 O ATOM 381 OP2 A A 54 0.294 -2.881 -7.473 1.00 0.00 O ATOM 382 O5' A A 54 0.508 -0.480 -8.145 1.00 0.00 O ATOM 383 C5' A A 54 0.273 0.657 -8.972 1.00 0.00 C ATOM 384 C4' A A 54 0.821 1.928 -8.334 1.00 0.00 C ATOM 385 O4' A A 54 0.120 2.230 -7.123 1.00 0.00 O ATOM 386 C3' A A 54 2.281 1.875 -7.931 1.00 0.00 C ATOM 387 O3' A A 54 3.137 2.130 -9.042 1.00 0.00 O ATOM 388 C2' A A 54 2.355 3.035 -6.967 1.00 0.00 C ATOM 389 O2' A A 54 2.445 4.287 -7.657 1.00 0.00 O ATOM 390 C1' A A 54 1.037 2.898 -6.231 1.00 0.00 C ATOM 391 N9 A A 54 1.148 2.107 -4.994 1.00 0.00 N ATOM 392 C8 A A 54 0.849 0.786 -4.774 1.00 0.00 C ATOM 393 N7 A A 54 1.075 0.392 -3.552 1.00 0.00 N ATOM 394 C5 A A 54 1.562 1.531 -2.922 1.00 0.00 C ATOM 395 C6 A A 54 1.992 1.782 -1.611 1.00 0.00 C ATOM 396 N6 A A 54 1.997 0.855 -0.653 1.00 0.00 N ATOM 397 N1 A A 54 2.416 3.024 -1.331 1.00 0.00 N ATOM 398 C2 A A 54 2.411 3.945 -2.287 1.00 0.00 C ATOM 399 N3 A A 54 2.030 3.834 -3.546 1.00 0.00 N ATOM 400 C4 A A 54 1.609 2.578 -3.796 1.00 0.00 C ATOM 0 H5' A A 54 -0.797 0.767 -9.147 1.00 0.00 H new ATOM 0 H5'' A A 54 0.741 0.505 -9.945 1.00 0.00 H new ATOM 0 H4' A A 54 0.692 2.673 -9.119 1.00 0.00 H new ATOM 0 H3' A A 54 2.590 0.909 -7.531 1.00 0.00 H new ATOM 0 H2' A A 54 3.230 3.019 -6.318 1.00 0.00 H new ATOM 0 HO2' A A 54 2.431 4.129 -8.624 1.00 0.00 H new ATOM 0 H1' A A 54 0.698 3.893 -5.943 1.00 0.00 H new ATOM 0 H8 A A 54 0.462 0.133 -5.542 1.00 0.00 H new ATOM 0 H61 A A 54 2.321 1.092 0.285 1.00 0.00 H new ATOM 0 H62 A A 54 1.677 -0.092 -0.858 1.00 0.00 H new ATOM 0 H2 A A 54 2.768 4.921 -1.994 1.00 0.00 H new ATOM 412 P U A 55 4.631 1.536 -9.075 1.00 0.00 P ATOM 413 OP1 U A 55 5.260 1.918 -10.358 1.00 0.00 O ATOM 414 OP2 U A 55 4.580 0.115 -8.664 1.00 0.00 O ATOM 415 O5' U A 55 5.325 2.382 -7.896 1.00 0.00 O ATOM 416 C5' U A 55 5.455 3.797 -7.995 1.00 0.00 C ATOM 417 C4' U A 55 5.992 4.403 -6.701 1.00 0.00 C ATOM 418 O4' U A 55 5.072 4.181 -5.631 1.00 0.00 O ATOM 419 C3' U A 55 7.293 3.806 -6.206 1.00 0.00 C ATOM 420 O3' U A 55 8.403 4.381 -6.901 1.00 0.00 O ATOM 421 C2' U A 55 7.296 4.254 -4.757 1.00 0.00 C ATOM 422 O2' U A 55 7.801 5.587 -4.622 1.00 0.00 O ATOM 423 C1' U A 55 5.814 4.176 -4.394 1.00 0.00 C ATOM 424 N1 U A 55 5.474 2.952 -3.645 1.00 0.00 N ATOM 425 C2 U A 55 5.703 2.972 -2.287 1.00 0.00 C ATOM 426 O2 U A 55 6.155 3.964 -1.717 1.00 0.00 O ATOM 427 N3 U A 55 5.400 1.812 -1.603 1.00 0.00 N ATOM 428 C4 U A 55 4.888 0.650 -2.146 1.00 0.00 C ATOM 429 O4 U A 55 4.646 -0.321 -1.427 1.00 0.00 O ATOM 430 C5 U A 55 4.679 0.715 -3.578 1.00 0.00 C ATOM 431 C6 U A 55 4.977 1.841 -4.271 1.00 0.00 C ATOM 0 H5' U A 55 4.485 4.237 -8.229 1.00 0.00 H new ATOM 0 H5'' U A 55 6.124 4.045 -8.819 1.00 0.00 H new ATOM 0 H4' U A 55 6.144 5.452 -6.954 1.00 0.00 H new ATOM 0 H3' U A 55 7.373 2.728 -6.347 1.00 0.00 H new ATOM 0 H2' U A 55 7.936 3.650 -4.113 1.00 0.00 H new ATOM 0 HO2' U A 55 8.074 5.924 -5.501 1.00 0.00 H new ATOM 0 H1' U A 55 5.568 5.023 -3.753 1.00 0.00 H new ATOM 0 H3 U A 55 5.571 1.813 -0.597 1.00 0.00 H new ATOM 0 H5 U A 55 4.281 -0.143 -4.099 1.00 0.00 H new ATOM 0 H6 U A 55 4.819 1.862 -5.339 1.00 0.00 H new ATOM 442 P C A 56 9.776 3.557 -7.097 1.00 0.00 P ATOM 443 OP1 C A 56 10.679 4.359 -7.952 1.00 0.00 O ATOM 444 OP2 C A 56 9.428 2.172 -7.489 1.00 0.00 O ATOM 445 O5' C A 56 10.398 3.515 -5.610 1.00 0.00 O ATOM 446 C5' C A 56 10.817 4.716 -4.961 1.00 0.00 C ATOM 447 C4' C A 56 11.320 4.450 -3.543 1.00 0.00 C ATOM 448 O4' C A 56 10.270 3.978 -2.707 1.00 0.00 O ATOM 449 C3' C A 56 12.403 3.396 -3.442 1.00 0.00 C ATOM 450 O3' C A 56 13.671 3.978 -3.760 1.00 0.00 O ATOM 451 C2' C A 56 12.338 3.008 -1.975 1.00 0.00 C ATOM 452 O2' C A 56 13.180 3.845 -1.174 1.00 0.00 O ATOM 453 C1' C A 56 10.856 3.213 -1.634 1.00 0.00 C ATOM 454 N1 C A 56 10.098 1.952 -1.511 1.00 0.00 N ATOM 455 C2 C A 56 10.162 1.283 -0.298 1.00 0.00 C ATOM 456 O2 C A 56 10.826 1.750 0.625 1.00 0.00 O ATOM 457 N3 C A 56 9.478 0.109 -0.168 1.00 0.00 N ATOM 458 C4 C A 56 8.766 -0.384 -1.194 1.00 0.00 C ATOM 459 N4 C A 56 8.109 -1.532 -1.045 1.00 0.00 N ATOM 460 C5 C A 56 8.703 0.304 -2.446 1.00 0.00 C ATOM 461 C6 C A 56 9.380 1.461 -2.560 1.00 0.00 C ATOM 0 H5' C A 56 9.985 5.419 -4.925 1.00 0.00 H new ATOM 0 H5'' C A 56 11.608 5.187 -5.545 1.00 0.00 H new ATOM 0 H4' C A 56 11.719 5.416 -3.233 1.00 0.00 H new ATOM 0 H3' C A 56 12.275 2.550 -4.118 1.00 0.00 H new ATOM 0 H2' C A 56 12.687 1.993 -1.783 1.00 0.00 H new ATOM 0 HO2' C A 56 13.116 3.571 -0.235 1.00 0.00 H new ATOM 0 H1' C A 56 10.806 3.714 -0.667 1.00 0.00 H new ATOM 0 H41 C A 56 7.566 -1.913 -1.820 1.00 0.00 H new ATOM 0 H42 C A 56 8.149 -2.031 -0.156 1.00 0.00 H new ATOM 0 H5 C A 56 8.131 -0.092 -3.272 1.00 0.00 H new ATOM 0 H6 C A 56 9.354 2.006 -3.492 1.00 0.00 H new ATOM 473 P A A 57 14.867 3.085 -4.363 1.00 0.00 P ATOM 474 OP1 A A 57 15.988 3.986 -4.711 1.00 0.00 O ATOM 475 OP2 A A 57 14.299 2.184 -5.391 1.00 0.00 O ATOM 476 O5' A A 57 15.314 2.190 -3.102 1.00 0.00 O ATOM 477 C5' A A 57 15.888 2.809 -1.948 1.00 0.00 C ATOM 478 C4' A A 57 16.187 1.793 -0.849 1.00 0.00 C ATOM 479 O4' A A 57 14.985 1.225 -0.346 1.00 0.00 O ATOM 480 C3' A A 57 17.033 0.617 -1.293 1.00 0.00 C ATOM 481 O3' A A 57 18.426 0.949 -1.319 1.00 0.00 O ATOM 482 C2' A A 57 16.713 -0.432 -0.238 1.00 0.00 C ATOM 483 O2' A A 57 17.651 -0.385 0.843 1.00 0.00 O ATOM 484 C1' A A 57 15.304 -0.051 0.229 1.00 0.00 C ATOM 485 N9 A A 57 14.262 -1.011 -0.183 1.00 0.00 N ATOM 486 C8 A A 57 13.427 -0.967 -1.269 1.00 0.00 C ATOM 487 N7 A A 57 12.624 -1.991 -1.360 1.00 0.00 N ATOM 488 C5 A A 57 12.952 -2.770 -0.255 1.00 0.00 C ATOM 489 C6 A A 57 12.460 -3.996 0.224 1.00 0.00 C ATOM 490 N6 A A 57 11.489 -4.680 -0.382 1.00 0.00 N ATOM 491 N1 A A 57 13.010 -4.485 1.348 1.00 0.00 N ATOM 492 C2 A A 57 13.977 -3.799 1.947 1.00 0.00 C ATOM 493 N3 A A 57 14.521 -2.644 1.597 1.00 0.00 N ATOM 494 C4 A A 57 13.949 -2.180 0.467 1.00 0.00 C ATOM 0 H5' A A 57 15.206 3.568 -1.565 1.00 0.00 H new ATOM 0 H5'' A A 57 16.808 3.321 -2.230 1.00 0.00 H new ATOM 0 H4' A A 57 16.734 2.370 -0.103 1.00 0.00 H new ATOM 0 H3' A A 57 16.819 0.283 -2.308 1.00 0.00 H new ATOM 0 H2' A A 57 16.770 -1.450 -0.622 1.00 0.00 H new ATOM 0 HO2' A A 57 18.430 0.146 0.577 1.00 0.00 H new ATOM 0 HO3' A A 57 18.943 0.168 -1.608 1.00 0.00 H new ATOM 0 H1' A A 57 15.314 -0.040 1.319 1.00 0.00 H new ATOM 0 H8 A A 57 13.433 -0.158 -1.984 1.00 0.00 H new ATOM 0 H61 A A 57 11.169 -5.566 0.009 1.00 0.00 H new ATOM 0 H62 A A 57 11.066 -4.317 -1.236 1.00 0.00 H new ATOM 0 H2 A A 57 14.375 -4.246 2.846 1.00 0.00 H new TER 507 A A 57