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 -4:sc= -0.466 USER MOD Single : A 42 G O5' : rot 180:sc= 0 USER MOD Single : A 43 A O2' : rot 180:sc= -0.304 USER MOD Single : A 44 U O2' : rot 180:sc= -0.165 USER MOD Single : A 45 C O2' : rot -5:sc= -0.667 USER MOD Single : A 46 U O2' : rot 180:sc= -0.0894 USER MOD Single : A 47 C O2' : rot -150:sc= 0.878 USER MOD Single : A 48 U O2' : rot 158:sc= -6.21! USER MOD Single : A 49 U O2' : rot -40:sc= 0.409 USER MOD Single : A 50 G O2' : rot -5:sc= -5.59! USER MOD Single : A 51 U O2' : rot 149:sc= -4.79! USER MOD Single : A 52 A O2' : rot -1:sc= -0.527 USER MOD Single : A 53 G O2' : rot -7:sc= -0.306 USER MOD Single : A 54 A O2' : rot 0:sc= -1.91! USER MOD Single : A 55 U O2' : rot -1:sc= -0.794 USER MOD Single : A 56 C O2' : rot 180:sc= -2.11! USER MOD Single : A 57 A O2' : rot 180:sc= 0 USER MOD Single : A 57 A O3' : rot 132:sc= 0.235 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.384 -4.691 10.081 1.00 0.00 O ATOM 2 C5' G A 42 7.271 -4.188 11.082 1.00 0.00 C ATOM 3 C4' G A 42 8.121 -3.043 10.549 1.00 0.00 C ATOM 4 O4' G A 42 9.030 -3.501 9.551 1.00 0.00 O ATOM 5 C3' G A 42 7.330 -1.920 9.907 1.00 0.00 C ATOM 6 O3' G A 42 6.832 -1.026 10.907 1.00 0.00 O ATOM 7 C2' G A 42 8.391 -1.258 9.062 1.00 0.00 C ATOM 8 O2' G A 42 9.213 -0.379 9.839 1.00 0.00 O ATOM 9 C1' G A 42 9.175 -2.466 8.566 1.00 0.00 C ATOM 10 N9 G A 42 8.685 -3.013 7.291 1.00 0.00 N ATOM 11 C8 G A 42 7.835 -4.064 7.093 1.00 0.00 C ATOM 12 N7 G A 42 7.581 -4.311 5.839 1.00 0.00 N ATOM 13 C5 G A 42 8.320 -3.350 5.154 1.00 0.00 C ATOM 14 C6 G A 42 8.439 -3.121 3.756 1.00 0.00 C ATOM 15 O6 G A 42 7.907 -3.741 2.838 1.00 0.00 O ATOM 16 N1 G A 42 9.284 -2.047 3.484 1.00 0.00 N ATOM 17 C2 G A 42 9.933 -1.293 4.445 1.00 0.00 C ATOM 18 N2 G A 42 10.706 -0.302 4.004 1.00 0.00 N ATOM 19 N3 G A 42 9.818 -1.511 5.758 1.00 0.00 N ATOM 20 C4 G A 42 8.999 -2.550 6.037 1.00 0.00 C ATOM 0 H5' G A 42 7.919 -4.991 11.432 1.00 0.00 H new ATOM 0 H5'' G A 42 6.695 -3.845 11.942 1.00 0.00 H new ATOM 0 H4' G A 42 8.628 -2.662 11.435 1.00 0.00 H new ATOM 0 H3' G A 42 6.454 -2.243 9.345 1.00 0.00 H new ATOM 0 H2' G A 42 7.996 -0.625 8.267 1.00 0.00 H new ATOM 0 HO2' G A 42 8.871 -0.337 10.756 1.00 0.00 H new ATOM 0 HO5' G A 42 5.853 -5.426 10.453 1.00 0.00 H new ATOM 0 H1' G A 42 10.204 -2.141 8.409 1.00 0.00 H new ATOM 0 H8 G A 42 7.411 -4.639 7.903 1.00 0.00 H new ATOM 0 H1 G A 42 9.435 -1.799 2.506 1.00 0.00 H new ATOM 0 H21 G A 42 11.209 0.287 4.668 1.00 0.00 H new ATOM 0 H22 G A 42 10.795 -0.132 3.002 1.00 0.00 H new ATOM 33 P A A 43 5.493 -0.163 10.649 1.00 0.00 P ATOM 34 OP1 A A 43 5.164 0.562 11.896 1.00 0.00 O ATOM 35 OP2 A A 43 4.486 -1.050 10.025 1.00 0.00 O ATOM 36 O5' A A 43 5.962 0.917 9.549 1.00 0.00 O ATOM 37 C5' A A 43 6.938 1.906 9.878 1.00 0.00 C ATOM 38 C4' A A 43 7.342 2.739 8.662 1.00 0.00 C ATOM 39 O4' A A 43 8.017 1.930 7.691 1.00 0.00 O ATOM 40 C3' A A 43 6.187 3.379 7.913 1.00 0.00 C ATOM 41 O3' A A 43 5.775 4.586 8.570 1.00 0.00 O ATOM 42 C2' A A 43 6.833 3.673 6.578 1.00 0.00 C ATOM 43 O2' A A 43 7.636 4.858 6.628 1.00 0.00 O ATOM 44 C1' A A 43 7.683 2.424 6.377 1.00 0.00 C ATOM 45 N9 A A 43 6.977 1.349 5.652 1.00 0.00 N ATOM 46 C8 A A 43 6.287 0.277 6.157 1.00 0.00 C ATOM 47 N7 A A 43 5.743 -0.480 5.245 1.00 0.00 N ATOM 48 C5 A A 43 6.097 0.135 4.050 1.00 0.00 C ATOM 49 C6 A A 43 5.827 -0.174 2.707 1.00 0.00 C ATOM 50 N6 A A 43 5.109 -1.233 2.327 1.00 0.00 N ATOM 51 N1 A A 43 6.327 0.652 1.775 1.00 0.00 N ATOM 52 C2 A A 43 7.048 1.701 2.154 1.00 0.00 C ATOM 53 N3 A A 43 7.370 2.094 3.375 1.00 0.00 N ATOM 54 C4 A A 43 6.851 1.250 4.289 1.00 0.00 C ATOM 0 H5' A A 43 7.821 1.420 10.294 1.00 0.00 H new ATOM 0 H5'' A A 43 6.542 2.563 10.652 1.00 0.00 H new ATOM 0 H4' A A 43 7.971 3.520 9.088 1.00 0.00 H new ATOM 0 H3' A A 43 5.288 2.766 7.845 1.00 0.00 H new ATOM 0 H2' A A 43 6.124 3.864 5.772 1.00 0.00 H new ATOM 0 HO2' A A 43 8.039 5.017 5.749 1.00 0.00 H new ATOM 0 H1' A A 43 8.554 2.696 5.780 1.00 0.00 H new ATOM 0 H8 A A 43 6.202 0.078 7.215 1.00 0.00 H new ATOM 0 H61 A A 43 4.944 -1.408 1.336 1.00 0.00 H new ATOM 0 H62 A A 43 4.725 -1.867 3.028 1.00 0.00 H new ATOM 0 H2 A A 43 7.424 2.320 1.353 1.00 0.00 H new ATOM 66 P U A 44 4.259 5.123 8.434 1.00 0.00 P ATOM 67 OP1 U A 44 4.100 6.288 9.333 1.00 0.00 O ATOM 68 OP2 U A 44 3.346 3.965 8.563 1.00 0.00 O ATOM 69 O5' U A 44 4.186 5.651 6.912 1.00 0.00 O ATOM 70 C5' U A 44 4.973 6.776 6.512 1.00 0.00 C ATOM 71 C4' U A 44 4.885 7.048 5.010 1.00 0.00 C ATOM 72 O4' U A 44 5.465 5.970 4.273 1.00 0.00 O ATOM 73 C3' U A 44 3.481 7.190 4.455 1.00 0.00 C ATOM 74 O3' U A 44 2.974 8.512 4.693 1.00 0.00 O ATOM 75 C2' U A 44 3.744 6.971 2.977 1.00 0.00 C ATOM 76 O2' U A 44 4.278 8.146 2.356 1.00 0.00 O ATOM 77 C1' U A 44 4.768 5.844 3.016 1.00 0.00 C ATOM 78 N1 U A 44 4.156 4.503 2.970 1.00 0.00 N ATOM 79 C2 U A 44 3.857 3.985 1.727 1.00 0.00 C ATOM 80 O2 U A 44 4.102 4.593 0.688 1.00 0.00 O ATOM 81 N3 U A 44 3.263 2.739 1.717 1.00 0.00 N ATOM 82 C4 U A 44 2.946 1.975 2.824 1.00 0.00 C ATOM 83 O4 U A 44 2.423 0.872 2.692 1.00 0.00 O ATOM 84 C5 U A 44 3.289 2.595 4.083 1.00 0.00 C ATOM 85 C6 U A 44 3.870 3.818 4.119 1.00 0.00 C ATOM 0 H5' U A 44 6.014 6.603 6.786 1.00 0.00 H new ATOM 0 H5'' U A 44 4.642 7.659 7.058 1.00 0.00 H new ATOM 0 H4' U A 44 5.408 7.997 4.896 1.00 0.00 H new ATOM 0 H3' U A 44 2.744 6.516 4.892 1.00 0.00 H new ATOM 0 H2' U A 44 2.851 6.741 2.397 1.00 0.00 H new ATOM 0 HO2' U A 44 4.437 7.970 1.405 1.00 0.00 H new ATOM 0 H1' U A 44 5.415 5.932 2.143 1.00 0.00 H new ATOM 0 H3 U A 44 3.036 2.344 0.804 1.00 0.00 H new ATOM 0 H5 U A 44 3.080 2.077 5.007 1.00 0.00 H new ATOM 0 H6 U A 44 4.112 4.261 5.074 1.00 0.00 H new ATOM 96 P C A 45 1.384 8.766 4.834 1.00 0.00 P ATOM 97 OP1 C A 45 1.175 10.182 5.210 1.00 0.00 O ATOM 98 OP2 C A 45 0.817 7.689 5.676 1.00 0.00 O ATOM 99 O5' C A 45 0.847 8.563 3.328 1.00 0.00 O ATOM 100 C5' C A 45 1.235 9.475 2.300 1.00 0.00 C ATOM 101 C4' C A 45 0.779 9.010 0.918 1.00 0.00 C ATOM 102 O4' C A 45 1.451 7.806 0.556 1.00 0.00 O ATOM 103 C3' C A 45 -0.699 8.693 0.776 1.00 0.00 C ATOM 104 O3' C A 45 -1.457 9.890 0.573 1.00 0.00 O ATOM 105 C2' C A 45 -0.696 7.844 -0.476 1.00 0.00 C ATOM 106 O2' C A 45 -0.634 8.647 -1.660 1.00 0.00 O ATOM 107 C1' C A 45 0.576 7.028 -0.284 1.00 0.00 C ATOM 108 N1 C A 45 0.335 5.738 0.385 1.00 0.00 N ATOM 109 C2 C A 45 -0.066 4.680 -0.407 1.00 0.00 C ATOM 110 O2 C A 45 -0.203 4.842 -1.619 1.00 0.00 O ATOM 111 N3 C A 45 -0.301 3.478 0.193 1.00 0.00 N ATOM 112 C4 C A 45 -0.142 3.325 1.513 1.00 0.00 C ATOM 113 N4 C A 45 -0.371 2.133 2.066 1.00 0.00 N ATOM 114 C5 C A 45 0.270 4.421 2.335 1.00 0.00 C ATOM 115 C6 C A 45 0.488 5.604 1.733 1.00 0.00 C ATOM 0 H5' C A 45 2.319 9.587 2.305 1.00 0.00 H new ATOM 0 H5'' C A 45 0.812 10.458 2.509 1.00 0.00 H new ATOM 0 H4' C A 45 1.011 9.864 0.282 1.00 0.00 H new ATOM 0 H3' C A 45 -1.143 8.212 1.648 1.00 0.00 H new ATOM 0 H2' C A 45 -1.595 7.242 -0.606 1.00 0.00 H new ATOM 0 HO2' C A 45 -0.680 9.595 -1.415 1.00 0.00 H new ATOM 0 H1' C A 45 0.998 6.813 -1.266 1.00 0.00 H new ATOM 0 H41 C A 45 -0.253 2.006 3.071 1.00 0.00 H new ATOM 0 H42 C A 45 -0.664 1.349 1.484 1.00 0.00 H new ATOM 0 H5 C A 45 0.401 4.303 3.400 1.00 0.00 H new ATOM 0 H6 C A 45 0.787 6.457 2.324 1.00 0.00 H new ATOM 127 P U A 46 -3.012 9.965 0.999 1.00 0.00 P ATOM 128 OP1 U A 46 -3.481 11.353 0.794 1.00 0.00 O ATOM 129 OP2 U A 46 -3.160 9.325 2.326 1.00 0.00 O ATOM 130 O5' U A 46 -3.731 9.023 -0.098 1.00 0.00 O ATOM 131 C5' U A 46 -3.723 9.402 -1.476 1.00 0.00 C ATOM 132 C4' U A 46 -4.328 8.330 -2.387 1.00 0.00 C ATOM 133 O4' U A 46 -3.525 7.143 -2.364 1.00 0.00 O ATOM 134 C3' U A 46 -5.722 7.863 -2.011 1.00 0.00 C ATOM 135 O3' U A 46 -6.709 8.788 -2.491 1.00 0.00 O ATOM 136 C2' U A 46 -5.787 6.556 -2.778 1.00 0.00 C ATOM 137 O2' U A 46 -6.032 6.774 -4.172 1.00 0.00 O ATOM 138 C1' U A 46 -4.391 6.000 -2.534 1.00 0.00 C ATOM 139 N1 U A 46 -4.308 5.173 -1.312 1.00 0.00 N ATOM 140 C2 U A 46 -4.663 3.841 -1.416 1.00 0.00 C ATOM 141 O2 U A 46 -4.995 3.332 -2.483 1.00 0.00 O ATOM 142 N3 U A 46 -4.620 3.108 -0.247 1.00 0.00 N ATOM 143 C4 U A 46 -4.257 3.578 1.000 1.00 0.00 C ATOM 144 O4 U A 46 -4.254 2.829 1.974 1.00 0.00 O ATOM 145 C5 U A 46 -3.903 4.979 1.019 1.00 0.00 C ATOM 146 C6 U A 46 -3.940 5.721 -0.114 1.00 0.00 C ATOM 0 H5' U A 46 -2.698 9.602 -1.788 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.279 10.332 -1.596 1.00 0.00 H new ATOM 0 H4' U A 46 -4.369 8.823 -3.358 1.00 0.00 H new ATOM 0 H3' U A 46 -5.907 7.774 -0.941 1.00 0.00 H new ATOM 0 H2' U A 46 -6.593 5.893 -2.464 1.00 0.00 H new ATOM 0 HO2' U A 46 -6.066 5.912 -4.637 1.00 0.00 H new ATOM 0 H1' U A 46 -4.112 5.362 -3.372 1.00 0.00 H new ATOM 0 H3 U A 46 -4.882 2.124 -0.310 1.00 0.00 H new ATOM 0 H5 U A 46 -3.605 5.441 1.949 1.00 0.00 H new ATOM 0 H6 U A 46 -3.673 6.767 -0.070 1.00 0.00 H new ATOM 157 P C A 47 -8.131 8.947 -1.735 1.00 0.00 P ATOM 158 OP1 C A 47 -8.867 10.065 -2.368 1.00 0.00 O ATOM 159 OP2 C A 47 -7.877 8.967 -0.277 1.00 0.00 O ATOM 160 O5' C A 47 -8.899 7.576 -2.092 1.00 0.00 O ATOM 161 C5' C A 47 -9.277 7.295 -3.441 1.00 0.00 C ATOM 162 C4' C A 47 -9.824 5.878 -3.602 1.00 0.00 C ATOM 163 O4' C A 47 -8.804 4.923 -3.346 1.00 0.00 O ATOM 164 C3' C A 47 -10.960 5.490 -2.681 1.00 0.00 C ATOM 165 O3' C A 47 -12.219 5.970 -3.179 1.00 0.00 O ATOM 166 C2' C A 47 -10.907 3.977 -2.723 1.00 0.00 C ATOM 167 O2' C A 47 -11.649 3.456 -3.832 1.00 0.00 O ATOM 168 C1' C A 47 -9.409 3.703 -2.871 1.00 0.00 C ATOM 169 N1 C A 47 -8.749 3.362 -1.605 1.00 0.00 N ATOM 170 C2 C A 47 -8.774 2.040 -1.199 1.00 0.00 C ATOM 171 O2 C A 47 -9.336 1.199 -1.896 1.00 0.00 O ATOM 172 N3 C A 47 -8.159 1.714 -0.026 1.00 0.00 N ATOM 173 C4 C A 47 -7.544 2.654 0.709 1.00 0.00 C ATOM 174 N4 C A 47 -6.933 2.308 1.840 1.00 0.00 N ATOM 175 C5 C A 47 -7.530 4.022 0.291 1.00 0.00 C ATOM 176 C6 C A 47 -8.148 4.327 -0.865 1.00 0.00 C ATOM 0 H5' C A 47 -8.414 7.426 -4.094 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.032 8.013 -3.763 1.00 0.00 H new ATOM 0 H4' C A 47 -10.197 5.879 -4.626 1.00 0.00 H new ATOM 0 H3' C A 47 -10.868 5.907 -1.678 1.00 0.00 H new ATOM 0 H2' C A 47 -11.350 3.503 -1.847 1.00 0.00 H new ATOM 0 HO2' C A 47 -12.006 2.573 -3.601 1.00 0.00 H new ATOM 0 H1' C A 47 -9.291 2.855 -3.545 1.00 0.00 H new ATOM 0 H41 C A 47 -6.464 3.017 2.404 1.00 0.00 H new ATOM 0 H42 C A 47 -6.934 1.334 2.143 1.00 0.00 H new ATOM 0 H5 C A 47 -7.041 4.783 0.882 1.00 0.00 H new ATOM 0 H6 C A 47 -8.166 5.351 -1.207 1.00 0.00 H new ATOM 188 P U A 48 -13.429 6.188 -2.144 1.00 0.00 P ATOM 189 OP1 U A 48 -14.563 6.806 -2.867 1.00 0.00 O ATOM 190 OP2 U A 48 -12.892 6.822 -0.919 1.00 0.00 O ATOM 191 O5' U A 48 -13.810 4.661 -1.804 1.00 0.00 O ATOM 192 C5' U A 48 -15.028 4.048 -2.250 1.00 0.00 C ATOM 193 C4' U A 48 -14.958 2.542 -2.032 1.00 0.00 C ATOM 194 O4' U A 48 -14.053 1.886 -2.899 1.00 0.00 O ATOM 195 C3' U A 48 -14.543 2.154 -0.629 1.00 0.00 C ATOM 196 O3' U A 48 -15.670 2.141 0.259 1.00 0.00 O ATOM 197 C2' U A 48 -13.973 0.739 -0.821 1.00 0.00 C ATOM 198 O2' U A 48 -14.825 -0.253 -0.245 1.00 0.00 O ATOM 199 C1' U A 48 -13.908 0.581 -2.342 1.00 0.00 C ATOM 200 N1 U A 48 -12.667 -0.027 -2.863 1.00 0.00 N ATOM 201 C2 U A 48 -12.537 -1.398 -2.751 1.00 0.00 C ATOM 202 O2 U A 48 -13.394 -2.094 -2.211 1.00 0.00 O ATOM 203 N3 U A 48 -11.383 -1.945 -3.283 1.00 0.00 N ATOM 204 C4 U A 48 -10.363 -1.249 -3.908 1.00 0.00 C ATOM 205 O4 U A 48 -9.378 -1.839 -4.346 1.00 0.00 O ATOM 206 C5 U A 48 -10.584 0.177 -3.980 1.00 0.00 C ATOM 207 C6 U A 48 -11.708 0.733 -3.467 1.00 0.00 C ATOM 0 H5' U A 48 -15.189 4.265 -3.306 1.00 0.00 H new ATOM 0 H5'' U A 48 -15.876 4.464 -1.706 1.00 0.00 H new ATOM 0 H4' U A 48 -15.981 2.225 -2.233 1.00 0.00 H new ATOM 0 H3' U A 48 -13.832 2.849 -0.182 1.00 0.00 H new ATOM 0 H2' U A 48 -13.006 0.611 -0.334 1.00 0.00 H new ATOM 0 HO2' U A 48 -14.645 -1.121 -0.662 1.00 0.00 H new ATOM 0 H1' U A 48 -14.701 -0.110 -2.627 1.00 0.00 H new ATOM 0 H3 U A 48 -11.274 -2.956 -3.208 1.00 0.00 H new ATOM 0 H5 U A 48 -9.844 0.808 -4.449 1.00 0.00 H new ATOM 0 H6 U A 48 -11.848 1.802 -3.538 1.00 0.00 H new ATOM 218 P U A 49 -15.529 2.466 1.840 1.00 0.00 P ATOM 219 OP1 U A 49 -16.862 2.305 2.464 1.00 0.00 O ATOM 220 OP2 U A 49 -14.799 3.745 1.984 1.00 0.00 O ATOM 221 O5' U A 49 -14.579 1.284 2.376 1.00 0.00 O ATOM 222 C5' U A 49 -14.947 -0.089 2.327 1.00 0.00 C ATOM 223 C4' U A 49 -13.753 -0.951 2.725 1.00 0.00 C ATOM 224 O4' U A 49 -12.595 -0.455 2.035 1.00 0.00 O ATOM 225 C3' U A 49 -13.404 -0.942 4.213 1.00 0.00 C ATOM 226 O3' U A 49 -12.961 -2.253 4.551 1.00 0.00 O ATOM 227 C2' U A 49 -12.252 0.028 4.354 1.00 0.00 C ATOM 228 O2' U A 49 -11.325 -0.406 5.355 1.00 0.00 O ATOM 229 C1' U A 49 -11.616 0.030 2.976 1.00 0.00 C ATOM 230 N1 U A 49 -11.182 1.378 2.561 1.00 0.00 N ATOM 231 C2 U A 49 -9.941 1.806 2.996 1.00 0.00 C ATOM 232 O2 U A 49 -9.198 1.087 3.660 1.00 0.00 O ATOM 233 N3 U A 49 -9.582 3.093 2.640 1.00 0.00 N ATOM 234 C4 U A 49 -10.342 3.975 1.894 1.00 0.00 C ATOM 235 O4 U A 49 -9.920 5.100 1.632 1.00 0.00 O ATOM 236 C5 U A 49 -11.620 3.445 1.481 1.00 0.00 C ATOM 237 C6 U A 49 -11.996 2.187 1.822 1.00 0.00 C ATOM 0 H5' U A 49 -15.280 -0.352 1.323 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.784 -0.276 2.999 1.00 0.00 H new ATOM 0 H4' U A 49 -14.034 -1.972 2.466 1.00 0.00 H new ATOM 0 H3' U A 49 -14.241 -0.659 4.851 1.00 0.00 H new ATOM 0 H2' U A 49 -12.573 1.020 4.672 1.00 0.00 H new ATOM 0 HO2' U A 49 -11.816 -0.781 6.116 1.00 0.00 H new ATOM 0 H1' U A 49 -10.730 -0.604 3.005 1.00 0.00 H new ATOM 0 H3 U A 49 -8.671 3.423 2.958 1.00 0.00 H new ATOM 0 H5 U A 49 -12.286 4.059 0.892 1.00 0.00 H new ATOM 0 H6 U A 49 -12.959 1.818 1.502 1.00 0.00 H new ATOM 248 P G A 50 -13.089 -2.880 6.023 1.00 0.00 P ATOM 249 OP1 G A 50 -14.523 -2.978 6.375 1.00 0.00 O ATOM 250 OP2 G A 50 -12.141 -2.183 6.921 1.00 0.00 O ATOM 251 O5' G A 50 -12.529 -4.356 5.726 1.00 0.00 O ATOM 252 C5' G A 50 -13.267 -5.232 4.874 1.00 0.00 C ATOM 253 C4' G A 50 -12.363 -5.935 3.873 1.00 0.00 C ATOM 254 O4' G A 50 -11.845 -5.005 2.926 1.00 0.00 O ATOM 255 C3' G A 50 -11.156 -6.616 4.463 1.00 0.00 C ATOM 256 O3' G A 50 -11.493 -7.912 4.928 1.00 0.00 O ATOM 257 C2' G A 50 -10.196 -6.688 3.302 1.00 0.00 C ATOM 258 O2' G A 50 -10.455 -7.829 2.476 1.00 0.00 O ATOM 259 C1' G A 50 -10.500 -5.389 2.569 1.00 0.00 C ATOM 260 N9 G A 50 -9.617 -4.267 2.935 1.00 0.00 N ATOM 261 C8 G A 50 -8.889 -4.086 4.078 1.00 0.00 C ATOM 262 N7 G A 50 -8.175 -2.997 4.085 1.00 0.00 N ATOM 263 C5 G A 50 -8.448 -2.412 2.854 1.00 0.00 C ATOM 264 C6 G A 50 -7.964 -1.199 2.298 1.00 0.00 C ATOM 265 O6 G A 50 -7.167 -0.405 2.793 1.00 0.00 O ATOM 266 N1 G A 50 -8.500 -0.968 1.035 1.00 0.00 N ATOM 267 C2 G A 50 -9.384 -1.812 0.386 1.00 0.00 C ATOM 268 N2 G A 50 -9.790 -1.438 -0.826 1.00 0.00 N ATOM 269 N3 G A 50 -9.833 -2.953 0.911 1.00 0.00 N ATOM 270 C4 G A 50 -9.327 -3.186 2.142 1.00 0.00 C ATOM 0 H5' G A 50 -14.029 -4.664 4.340 1.00 0.00 H new ATOM 0 H5'' G A 50 -13.788 -5.975 5.479 1.00 0.00 H new ATOM 0 H4' G A 50 -13.014 -6.691 3.434 1.00 0.00 H new ATOM 0 H3' G A 50 -10.741 -6.090 5.323 1.00 0.00 H new ATOM 0 H2' G A 50 -9.152 -6.795 3.598 1.00 0.00 H new ATOM 0 HO2' G A 50 -11.155 -8.378 2.887 1.00 0.00 H new ATOM 0 H1' G A 50 -10.355 -5.578 1.505 1.00 0.00 H new ATOM 0 H8 G A 50 -8.905 -4.784 4.902 1.00 0.00 H new ATOM 0 H1 G A 50 -8.221 -0.114 0.552 1.00 0.00 H new ATOM 0 H21 G A 50 -10.442 -2.023 -1.349 1.00 0.00 H new ATOM 0 H22 G A 50 -9.449 -0.566 -1.231 1.00 0.00 H new ATOM 282 P U A 51 -10.392 -8.736 5.736 1.00 0.00 P ATOM 283 OP1 U A 51 -11.021 -9.958 6.285 1.00 0.00 O ATOM 284 OP2 U A 51 -9.659 -7.805 6.623 1.00 0.00 O ATOM 285 O5' U A 51 -9.427 -9.154 4.517 1.00 0.00 O ATOM 286 C5' U A 51 -8.079 -9.545 4.731 1.00 0.00 C ATOM 287 C4' U A 51 -7.468 -10.112 3.455 1.00 0.00 C ATOM 288 O4' U A 51 -8.168 -11.305 3.097 1.00 0.00 O ATOM 289 C3' U A 51 -7.514 -9.185 2.243 1.00 0.00 C ATOM 290 O3' U A 51 -6.305 -9.385 1.513 1.00 0.00 O ATOM 291 C2' U A 51 -8.701 -9.658 1.423 1.00 0.00 C ATOM 292 O2' U A 51 -8.412 -9.601 0.022 1.00 0.00 O ATOM 293 C1' U A 51 -8.907 -11.103 1.882 1.00 0.00 C ATOM 294 N1 U A 51 -10.321 -11.481 2.148 1.00 0.00 N ATOM 295 C2 U A 51 -10.788 -12.662 1.589 1.00 0.00 C ATOM 296 O2 U A 51 -10.076 -13.375 0.884 1.00 0.00 O ATOM 297 N3 U A 51 -12.100 -12.995 1.869 1.00 0.00 N ATOM 298 C4 U A 51 -12.980 -12.265 2.647 1.00 0.00 C ATOM 299 O4 U A 51 -14.130 -12.658 2.828 1.00 0.00 O ATOM 300 C5 U A 51 -12.416 -11.052 3.192 1.00 0.00 C ATOM 301 C6 U A 51 -11.132 -10.702 2.935 1.00 0.00 C ATOM 0 H5' U A 51 -8.034 -10.292 5.523 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.497 -8.688 5.068 1.00 0.00 H new ATOM 0 H4' U A 51 -6.417 -10.277 3.692 1.00 0.00 H new ATOM 0 H3' U A 51 -7.610 -8.130 2.500 1.00 0.00 H new ATOM 0 H2' U A 51 -9.587 -9.039 1.568 1.00 0.00 H new ATOM 0 HO2' U A 51 -8.908 -10.307 -0.443 1.00 0.00 H new ATOM 0 H1' U A 51 -8.564 -11.728 1.058 1.00 0.00 H new ATOM 0 H3 U A 51 -12.453 -13.862 1.463 1.00 0.00 H new ATOM 0 H5 U A 51 -13.027 -10.414 3.814 1.00 0.00 H new ATOM 0 H6 U A 51 -10.738 -9.790 3.359 1.00 0.00 H new ATOM 312 P A A 52 -5.167 -8.258 1.375 1.00 0.00 P ATOM 313 OP1 A A 52 -3.978 -8.877 0.747 1.00 0.00 O ATOM 314 OP2 A A 52 -5.037 -7.570 2.679 1.00 0.00 O ATOM 315 O5' A A 52 -5.805 -7.223 0.326 1.00 0.00 O ATOM 316 C5' A A 52 -6.674 -7.690 -0.704 1.00 0.00 C ATOM 317 C4' A A 52 -6.950 -6.602 -1.730 1.00 0.00 C ATOM 318 O4' A A 52 -7.658 -5.490 -1.162 1.00 0.00 O ATOM 319 C3' A A 52 -5.679 -6.022 -2.317 1.00 0.00 C ATOM 320 O3' A A 52 -5.213 -6.878 -3.367 1.00 0.00 O ATOM 321 C2' A A 52 -6.166 -4.696 -2.854 1.00 0.00 C ATOM 322 O2' A A 52 -6.829 -4.849 -4.115 1.00 0.00 O ATOM 323 C1' A A 52 -7.138 -4.280 -1.757 1.00 0.00 C ATOM 324 N9 A A 52 -6.519 -3.491 -0.681 1.00 0.00 N ATOM 325 C8 A A 52 -6.165 -3.888 0.585 1.00 0.00 C ATOM 326 N7 A A 52 -5.665 -2.927 1.316 1.00 0.00 N ATOM 327 C5 A A 52 -5.694 -1.818 0.472 1.00 0.00 C ATOM 328 C6 A A 52 -5.298 -0.480 0.642 1.00 0.00 C ATOM 329 N6 A A 52 -4.777 -0.009 1.773 1.00 0.00 N ATOM 330 N1 A A 52 -5.463 0.349 -0.401 1.00 0.00 N ATOM 331 C2 A A 52 -5.984 -0.122 -1.527 1.00 0.00 C ATOM 332 N3 A A 52 -6.394 -1.347 -1.808 1.00 0.00 N ATOM 333 C4 A A 52 -6.215 -2.156 -0.743 1.00 0.00 C ATOM 0 H5' A A 52 -7.614 -8.026 -0.265 1.00 0.00 H new ATOM 0 H5'' A A 52 -6.226 -8.553 -1.197 1.00 0.00 H new ATOM 0 H4' A A 52 -7.543 -7.099 -2.498 1.00 0.00 H new ATOM 0 H3' A A 52 -4.848 -5.920 -1.620 1.00 0.00 H new ATOM 0 H2' A A 52 -5.375 -3.973 -3.053 1.00 0.00 H new ATOM 0 HO2' A A 52 -6.813 -5.792 -4.381 1.00 0.00 H new ATOM 0 H1' A A 52 -7.901 -3.654 -2.219 1.00 0.00 H new ATOM 0 H8 A A 52 -6.288 -4.899 0.943 1.00 0.00 H new ATOM 0 H61 A A 52 -4.507 0.972 1.840 1.00 0.00 H new ATOM 0 H62 A A 52 -4.648 -0.629 2.572 1.00 0.00 H new ATOM 0 H2 A A 52 -6.088 0.597 -2.326 1.00 0.00 H new ATOM 345 P G A 53 -3.650 -6.963 -3.750 1.00 0.00 P ATOM 346 OP1 G A 53 -3.483 -8.009 -4.785 1.00 0.00 O ATOM 347 OP2 G A 53 -2.869 -7.035 -2.496 1.00 0.00 O ATOM 348 O5' G A 53 -3.380 -5.536 -4.430 1.00 0.00 O ATOM 349 C5' G A 53 -4.021 -5.185 -5.654 1.00 0.00 C ATOM 350 C4' G A 53 -3.736 -3.737 -6.020 1.00 0.00 C ATOM 351 O4' G A 53 -4.307 -2.860 -5.046 1.00 0.00 O ATOM 352 C3' G A 53 -2.264 -3.375 -6.063 1.00 0.00 C ATOM 353 O3' G A 53 -1.689 -3.770 -7.314 1.00 0.00 O ATOM 354 C2' G A 53 -2.341 -1.865 -5.954 1.00 0.00 C ATOM 355 O2' G A 53 -2.690 -1.265 -7.207 1.00 0.00 O ATOM 356 C1' G A 53 -3.457 -1.705 -4.926 1.00 0.00 C ATOM 357 N9 G A 53 -2.960 -1.636 -3.540 1.00 0.00 N ATOM 358 C8 G A 53 -2.837 -2.636 -2.610 1.00 0.00 C ATOM 359 N7 G A 53 -2.325 -2.243 -1.477 1.00 0.00 N ATOM 360 C5 G A 53 -2.090 -0.886 -1.670 1.00 0.00 C ATOM 361 C6 G A 53 -1.536 0.078 -0.784 1.00 0.00 C ATOM 362 O6 G A 53 -1.147 -0.087 0.373 1.00 0.00 O ATOM 363 N1 G A 53 -1.469 1.336 -1.379 1.00 0.00 N ATOM 364 C2 G A 53 -1.887 1.626 -2.666 1.00 0.00 C ATOM 365 N2 G A 53 -1.750 2.888 -3.075 1.00 0.00 N ATOM 366 N3 G A 53 -2.407 0.718 -3.492 1.00 0.00 N ATOM 367 C4 G A 53 -2.477 -0.508 -2.930 1.00 0.00 C ATOM 0 H5' G A 53 -5.097 -5.336 -5.562 1.00 0.00 H new ATOM 0 H5'' G A 53 -3.674 -5.841 -6.452 1.00 0.00 H new ATOM 0 H4' G A 53 -4.164 -3.625 -7.016 1.00 0.00 H new ATOM 0 H3' G A 53 -1.651 -3.851 -5.298 1.00 0.00 H new ATOM 0 H2' G A 53 -1.402 -1.385 -5.677 1.00 0.00 H new ATOM 0 HO2' G A 53 -2.697 -1.951 -7.907 1.00 0.00 H new ATOM 0 H1' G A 53 -3.977 -0.768 -5.125 1.00 0.00 H new ATOM 0 H8 G A 53 -3.137 -3.656 -2.799 1.00 0.00 H new ATOM 0 H1 G A 53 -1.083 2.100 -0.825 1.00 0.00 H new ATOM 0 H21 G A 53 -2.043 3.154 -4.015 1.00 0.00 H new ATOM 0 H22 G A 53 -1.352 3.587 -2.448 1.00 0.00 H new ATOM 379 P A A 54 -0.123 -4.143 -7.419 1.00 0.00 P ATOM 380 OP1 A A 54 0.151 -4.603 -8.799 1.00 0.00 O ATOM 381 OP2 A A 54 0.227 -5.006 -6.269 1.00 0.00 O ATOM 382 O5' A A 54 0.586 -2.715 -7.214 1.00 0.00 O ATOM 383 C5' A A 54 0.407 -1.674 -8.169 1.00 0.00 C ATOM 384 C4' A A 54 1.015 -0.363 -7.683 1.00 0.00 C ATOM 385 O4' A A 54 0.330 0.113 -6.518 1.00 0.00 O ATOM 386 C3' A A 54 2.474 -0.428 -7.270 1.00 0.00 C ATOM 387 O3' A A 54 3.333 -0.346 -8.405 1.00 0.00 O ATOM 388 C2' A A 54 2.600 0.836 -6.455 1.00 0.00 C ATOM 389 O2' A A 54 2.756 1.988 -7.291 1.00 0.00 O ATOM 390 C1' A A 54 1.274 0.857 -5.719 1.00 0.00 C ATOM 391 N9 A A 54 1.346 0.247 -4.381 1.00 0.00 N ATOM 392 C8 A A 54 0.989 -1.014 -3.977 1.00 0.00 C ATOM 393 N7 A A 54 1.172 -1.230 -2.703 1.00 0.00 N ATOM 394 C5 A A 54 1.692 -0.027 -2.236 1.00 0.00 C ATOM 395 C6 A A 54 2.106 0.399 -0.965 1.00 0.00 C ATOM 396 N6 A A 54 2.053 -0.374 0.118 1.00 0.00 N ATOM 397 N1 A A 54 2.574 1.654 -0.859 1.00 0.00 N ATOM 398 C2 A A 54 2.627 2.420 -1.942 1.00 0.00 C ATOM 399 N3 A A 54 2.266 2.137 -3.180 1.00 0.00 N ATOM 400 C4 A A 54 1.801 0.874 -3.253 1.00 0.00 C ATOM 0 H5' A A 54 -0.657 -1.534 -8.362 1.00 0.00 H new ATOM 0 H5'' A A 54 0.867 -1.962 -9.114 1.00 0.00 H new ATOM 0 H4' A A 54 0.919 0.285 -8.554 1.00 0.00 H new ATOM 0 H3' A A 54 2.744 -1.348 -6.752 1.00 0.00 H new ATOM 0 H2' A A 54 3.471 0.856 -5.800 1.00 0.00 H new ATOM 0 HO2' A A 54 2.750 1.713 -8.232 1.00 0.00 H new ATOM 0 H1' A A 54 0.978 1.896 -5.576 1.00 0.00 H new ATOM 0 H8 A A 54 0.593 -1.759 -4.651 1.00 0.00 H new ATOM 0 H61 A A 54 2.368 -0.013 1.018 1.00 0.00 H new ATOM 0 H62 A A 54 1.698 -1.328 0.047 1.00 0.00 H new ATOM 0 H2 A A 54 3.021 3.414 -1.789 1.00 0.00 H new ATOM 412 P U A 55 4.809 -0.984 -8.365 1.00 0.00 P ATOM 413 OP1 U A 55 5.437 -0.798 -9.693 1.00 0.00 O ATOM 414 OP2 U A 55 4.722 -2.334 -7.766 1.00 0.00 O ATOM 415 O5' U A 55 5.535 -0.004 -7.315 1.00 0.00 O ATOM 416 C5' U A 55 5.699 1.380 -7.610 1.00 0.00 C ATOM 417 C4' U A 55 6.255 2.150 -6.413 1.00 0.00 C ATOM 418 O4' U A 55 5.332 2.100 -5.323 1.00 0.00 O ATOM 419 C3' U A 55 7.545 1.601 -5.836 1.00 0.00 C ATOM 420 O3' U A 55 8.666 2.052 -6.605 1.00 0.00 O ATOM 421 C2' U A 55 7.556 2.255 -4.466 1.00 0.00 C ATOM 422 O2' U A 55 8.088 3.584 -4.523 1.00 0.00 O ATOM 423 C1' U A 55 6.074 2.260 -4.096 1.00 0.00 C ATOM 424 N1 U A 55 5.712 1.164 -3.179 1.00 0.00 N ATOM 425 C2 U A 55 5.938 1.376 -1.837 1.00 0.00 C ATOM 426 O2 U A 55 6.401 2.434 -1.413 1.00 0.00 O ATOM 427 N3 U A 55 5.613 0.333 -0.994 1.00 0.00 N ATOM 428 C4 U A 55 5.084 -0.887 -1.367 1.00 0.00 C ATOM 429 O4 U A 55 4.827 -1.739 -0.518 1.00 0.00 O ATOM 430 C5 U A 55 4.880 -1.025 -2.795 1.00 0.00 C ATOM 431 C6 U A 55 5.199 -0.017 -3.641 1.00 0.00 C ATOM 0 H5' U A 55 4.739 1.806 -7.903 1.00 0.00 H new ATOM 0 H5'' U A 55 6.371 1.494 -8.460 1.00 0.00 H new ATOM 0 H4' U A 55 6.431 3.149 -6.812 1.00 0.00 H new ATOM 0 H3' U A 55 7.605 0.513 -5.821 1.00 0.00 H new ATOM 0 H2' U A 55 8.184 1.737 -3.741 1.00 0.00 H new ATOM 0 HO2' U A 55 8.353 3.791 -5.444 1.00 0.00 H new ATOM 0 H1' U A 55 5.845 3.194 -3.583 1.00 0.00 H new ATOM 0 H3 U A 55 5.780 0.477 0.002 1.00 0.00 H new ATOM 0 H5 U A 55 4.469 -1.943 -3.189 1.00 0.00 H new ATOM 0 H6 U A 55 5.045 -0.148 -4.702 1.00 0.00 H new ATOM 442 P C A 56 10.020 1.177 -6.693 1.00 0.00 P ATOM 443 OP1 C A 56 10.936 1.844 -7.645 1.00 0.00 O ATOM 444 OP2 C A 56 9.641 -0.237 -6.906 1.00 0.00 O ATOM 445 O5' C A 56 10.651 1.309 -5.215 1.00 0.00 O ATOM 446 C5' C A 56 11.110 2.567 -4.719 1.00 0.00 C ATOM 447 C4' C A 56 11.605 2.454 -3.277 1.00 0.00 C ATOM 448 O4' C A 56 10.539 2.126 -2.398 1.00 0.00 O ATOM 449 C3' C A 56 12.651 1.384 -3.043 1.00 0.00 C ATOM 450 O3' C A 56 13.937 1.891 -3.420 1.00 0.00 O ATOM 451 C2' C A 56 12.563 1.163 -1.540 1.00 0.00 C ATOM 452 O2' C A 56 13.459 2.027 -0.832 1.00 0.00 O ATOM 453 C1' C A 56 11.097 1.499 -1.229 1.00 0.00 C ATOM 454 N1 C A 56 10.266 0.319 -0.918 1.00 0.00 N ATOM 455 C2 C A 56 10.303 -0.164 0.379 1.00 0.00 C ATOM 456 O2 C A 56 11.020 0.382 1.214 1.00 0.00 O ATOM 457 N3 C A 56 9.532 -1.247 0.690 1.00 0.00 N ATOM 458 C4 C A 56 8.763 -1.830 -0.244 1.00 0.00 C ATOM 459 N4 C A 56 8.018 -2.883 0.083 1.00 0.00 N ATOM 460 C5 C A 56 8.730 -1.335 -1.584 1.00 0.00 C ATOM 461 C6 C A 56 9.493 -0.266 -1.876 1.00 0.00 C ATOM 0 H5' C A 56 10.302 3.297 -4.771 1.00 0.00 H new ATOM 0 H5'' C A 56 11.915 2.937 -5.353 1.00 0.00 H new ATOM 0 H4' C A 56 12.041 3.434 -3.084 1.00 0.00 H new ATOM 0 H3' C A 56 12.502 0.468 -3.614 1.00 0.00 H new ATOM 0 H2' C A 56 12.845 0.155 -1.237 1.00 0.00 H new ATOM 0 HO2' C A 56 13.379 1.863 0.131 1.00 0.00 H new ATOM 0 H1' C A 56 11.093 2.138 -0.346 1.00 0.00 H new ATOM 0 H41 C A 56 7.431 -3.331 -0.621 1.00 0.00 H new ATOM 0 H42 C A 56 8.034 -3.242 1.038 1.00 0.00 H new ATOM 0 H5 C A 56 8.113 -1.803 -2.337 1.00 0.00 H new ATOM 0 H6 C A 56 9.493 0.133 -2.880 1.00 0.00 H new ATOM 473 P A A 57 15.120 0.913 -3.910 1.00 0.00 P ATOM 474 OP1 A A 57 16.251 1.752 -4.365 1.00 0.00 O ATOM 475 OP2 A A 57 14.536 -0.092 -4.826 1.00 0.00 O ATOM 476 O5' A A 57 15.569 0.158 -2.558 1.00 0.00 O ATOM 477 C5' A A 57 16.156 0.897 -1.484 1.00 0.00 C ATOM 478 C4' A A 57 16.497 0.003 -0.291 1.00 0.00 C ATOM 479 O4' A A 57 15.284 -0.464 0.319 1.00 0.00 O ATOM 480 C3' A A 57 17.325 -1.231 -0.662 1.00 0.00 C ATOM 481 O3' A A 57 18.338 -1.489 0.317 1.00 0.00 O ATOM 482 C2' A A 57 16.298 -2.347 -0.678 1.00 0.00 C ATOM 483 O2' A A 57 16.887 -3.609 -0.344 1.00 0.00 O ATOM 484 C1' A A 57 15.318 -1.892 0.384 1.00 0.00 C ATOM 485 N9 A A 57 13.945 -2.400 0.201 1.00 0.00 N ATOM 486 C8 A A 57 13.172 -2.410 -0.930 1.00 0.00 C ATOM 487 N7 A A 57 11.998 -2.955 -0.761 1.00 0.00 N ATOM 488 C5 A A 57 11.996 -3.332 0.579 1.00 0.00 C ATOM 489 C6 A A 57 11.037 -3.967 1.387 1.00 0.00 C ATOM 490 N6 A A 57 9.843 -4.350 0.938 1.00 0.00 N ATOM 491 N1 A A 57 11.363 -4.188 2.672 1.00 0.00 N ATOM 492 C2 A A 57 12.555 -3.805 3.113 1.00 0.00 C ATOM 493 N3 A A 57 13.535 -3.205 2.456 1.00 0.00 N ATOM 494 C4 A A 57 13.179 -2.996 1.172 1.00 0.00 C ATOM 0 H5' A A 57 15.468 1.680 -1.165 1.00 0.00 H new ATOM 0 H5'' A A 57 17.061 1.392 -1.837 1.00 0.00 H new ATOM 0 H4' A A 57 17.092 0.619 0.383 1.00 0.00 H new ATOM 0 H3' A A 57 17.853 -1.117 -1.609 1.00 0.00 H new ATOM 0 H2' A A 57 15.842 -2.507 -1.655 1.00 0.00 H new ATOM 0 HO2' A A 57 16.199 -4.306 -0.362 1.00 0.00 H new ATOM 0 HO3' A A 57 18.320 -2.437 0.564 1.00 0.00 H new ATOM 0 H1' A A 57 15.657 -2.282 1.344 1.00 0.00 H new ATOM 0 H8 A A 57 13.503 -2.004 -1.874 1.00 0.00 H new ATOM 0 H61 A A 57 9.184 -4.807 1.568 1.00 0.00 H new ATOM 0 H62 A A 57 9.588 -4.186 -0.036 1.00 0.00 H new ATOM 0 H2 A A 57 12.753 -4.012 4.154 1.00 0.00 H new TER 507 A A 57