USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 1 G O2' : rot 180:sc= -0.396 USER MOD Single : A 1 G O5' : rot 16:sc= 0.32 USER MOD Single : A 2 A O2' : rot 180:sc= -0.245 USER MOD Single : A 3 G O2' : rot 180:sc= -0.323 USER MOD Single : A 4 G O2' : rot -15:sc= -0.265 USER MOD Single : A 5 U O2' : rot -17:sc= -0.205 USER MOD Single : A 6 C O2' : rot 180:sc= -0.349 USER MOD Single : A 7 U O2' : rot 180:sc= -0.434 USER MOD Single : A 8 C O2' : rot -17:sc= 0.119 USER MOD Single : A 8 C O3' : rot 180:sc= 0.138 USER MOD Single : B 9 G O2' : rot -21:sc= 0.103 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 A O2' : rot 180:sc= -0.257 USER MOD Single : B 11 G O2' : rot 180:sc= -0.475 USER MOD Single : B 12 G O2' : rot -31:sc= -0.118 USER MOD Single : B 13 U O2' : rot -17:sc= 0.131 USER MOD Single : B 14 C O2' : rot -30:sc= 0.138 USER MOD Single : B 15 U O2' : rot 180:sc= -0.417 USER MOD Single : B 16 C O2' : rot -28:sc= 0.171 USER MOD Single : B 16 C O3' : rot 180:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.482 -9.751 5.377 1.00 0.00 O ATOM 2 C5' G A 1 6.182 -9.243 4.096 1.00 0.00 C ATOM 3 C4' G A 1 7.118 -8.079 3.767 1.00 0.00 C ATOM 4 O4' G A 1 6.813 -7.524 2.488 1.00 0.00 O ATOM 5 C3' G A 1 6.969 -6.929 4.744 1.00 0.00 C ATOM 6 O3' G A 1 7.662 -7.150 5.958 1.00 0.00 O ATOM 7 C2' G A 1 7.589 -5.814 3.940 1.00 0.00 C ATOM 8 O2' G A 1 8.996 -5.936 3.947 1.00 0.00 O ATOM 9 C1' G A 1 7.080 -6.114 2.538 1.00 0.00 C ATOM 10 N9 G A 1 5.836 -5.358 2.301 1.00 0.00 N ATOM 11 C8 G A 1 4.538 -5.755 2.480 1.00 0.00 C ATOM 12 N7 G A 1 3.657 -4.841 2.181 1.00 0.00 N ATOM 13 C5 G A 1 4.428 -3.753 1.783 1.00 0.00 C ATOM 14 C6 G A 1 4.027 -2.454 1.351 1.00 0.00 C ATOM 15 O6 G A 1 2.888 -2.012 1.215 1.00 0.00 O ATOM 16 N1 G A 1 5.125 -1.647 1.071 1.00 0.00 N ATOM 17 C2 G A 1 6.442 -2.037 1.182 1.00 0.00 C ATOM 18 N2 G A 1 7.369 -1.125 0.875 1.00 0.00 N ATOM 19 N3 G A 1 6.821 -3.256 1.578 1.00 0.00 N ATOM 20 C4 G A 1 5.764 -4.059 1.863 1.00 0.00 C ATOM 0 H5' G A 1 5.145 -8.909 4.061 1.00 0.00 H new ATOM 0 H5'' G A 1 6.289 -10.029 3.349 1.00 0.00 H new ATOM 0 H4' G A 1 8.123 -8.499 3.807 1.00 0.00 H new ATOM 0 H3' G A 1 5.945 -6.749 5.072 1.00 0.00 H new ATOM 0 H2' G A 1 7.345 -4.819 4.313 1.00 0.00 H new ATOM 0 HO2' G A 1 9.390 -5.209 3.422 1.00 0.00 H new ATOM 0 HO5' G A 1 7.035 -9.105 5.864 1.00 0.00 H new ATOM 0 H1' G A 1 7.807 -5.829 1.778 1.00 0.00 H new ATOM 0 H8 G A 1 4.268 -6.738 2.837 1.00 0.00 H new ATOM 0 H1 G A 1 4.941 -0.693 0.760 1.00 0.00 H new ATOM 0 H21 G A 1 8.359 -1.362 0.940 1.00 0.00 H new ATOM 0 H22 G A 1 7.087 -0.192 0.575 1.00 0.00 H new ATOM 33 P A A 2 7.363 -6.237 7.258 1.00 0.00 P ATOM 34 OP1 A A 2 8.285 -6.658 8.336 1.00 0.00 O ATOM 35 OP2 A A 2 5.903 -6.251 7.494 1.00 0.00 O ATOM 36 O5' A A 2 7.778 -4.749 6.795 1.00 0.00 O ATOM 37 C5' A A 2 9.134 -4.361 6.708 1.00 0.00 C ATOM 38 C4' A A 2 9.212 -2.906 6.239 1.00 0.00 C ATOM 39 O4' A A 2 8.565 -2.732 4.984 1.00 0.00 O ATOM 40 C3' A A 2 8.490 -1.965 7.177 1.00 0.00 C ATOM 41 O3' A A 2 9.236 -1.697 8.353 1.00 0.00 O ATOM 42 C2' A A 2 8.353 -0.754 6.294 1.00 0.00 C ATOM 43 O2' A A 2 9.587 -0.071 6.223 1.00 0.00 O ATOM 44 C1' A A 2 8.065 -1.388 4.934 1.00 0.00 C ATOM 45 N9 A A 2 6.608 -1.389 4.676 1.00 0.00 N ATOM 46 C8 A A 2 5.706 -2.416 4.798 1.00 0.00 C ATOM 47 N7 A A 2 4.481 -2.084 4.493 1.00 0.00 N ATOM 48 C5 A A 2 4.577 -0.739 4.146 1.00 0.00 C ATOM 49 C6 A A 2 3.625 0.210 3.725 1.00 0.00 C ATOM 50 N6 A A 2 2.324 -0.067 3.571 1.00 0.00 N ATOM 51 N1 A A 2 4.060 1.458 3.467 1.00 0.00 N ATOM 52 C2 A A 2 5.351 1.736 3.619 1.00 0.00 C ATOM 53 N3 A A 2 6.338 0.938 4.004 1.00 0.00 N ATOM 54 C4 A A 2 5.870 -0.308 4.256 1.00 0.00 C ATOM 0 H5' A A 2 9.666 -5.009 6.012 1.00 0.00 H new ATOM 0 H5'' A A 2 9.619 -4.469 7.678 1.00 0.00 H new ATOM 0 H4' A A 2 10.278 -2.683 6.191 1.00 0.00 H new ATOM 0 H3' A A 2 7.547 -2.349 7.567 1.00 0.00 H new ATOM 0 H2' A A 2 7.602 -0.042 6.636 1.00 0.00 H new ATOM 0 HO2' A A 2 9.493 0.716 5.646 1.00 0.00 H new ATOM 0 H1' A A 2 8.544 -0.829 4.130 1.00 0.00 H new ATOM 0 H8 A A 2 5.985 -3.409 5.118 1.00 0.00 H new ATOM 0 H61 A A 2 1.680 0.662 3.263 1.00 0.00 H new ATOM 0 H62 A A 2 1.977 -1.007 3.762 1.00 0.00 H new ATOM 0 H2 A A 2 5.636 2.754 3.398 1.00 0.00 H new ATOM 66 P G A 3 8.542 -1.014 9.642 1.00 0.00 P ATOM 67 OP1 G A 3 9.580 -0.835 10.682 1.00 0.00 O ATOM 68 OP2 G A 3 7.316 -1.780 9.956 1.00 0.00 O ATOM 69 O5' G A 3 8.098 0.444 9.124 1.00 0.00 O ATOM 70 C5' G A 3 9.040 1.485 8.962 1.00 0.00 C ATOM 71 C4' G A 3 8.310 2.725 8.443 1.00 0.00 C ATOM 72 O4' G A 3 7.662 2.446 7.208 1.00 0.00 O ATOM 73 C3' G A 3 7.219 3.179 9.375 1.00 0.00 C ATOM 74 O3' G A 3 7.738 3.901 10.481 1.00 0.00 O ATOM 75 C2' G A 3 6.435 4.065 8.434 1.00 0.00 C ATOM 76 O2' G A 3 7.084 5.310 8.286 1.00 0.00 O ATOM 77 C1' G A 3 6.528 3.309 7.111 1.00 0.00 C ATOM 78 N9 G A 3 5.294 2.527 6.919 1.00 0.00 N ATOM 79 C8 G A 3 5.073 1.186 7.103 1.00 0.00 C ATOM 80 N7 G A 3 3.842 0.817 6.878 1.00 0.00 N ATOM 81 C5 G A 3 3.199 2.001 6.526 1.00 0.00 C ATOM 82 C6 G A 3 1.837 2.238 6.176 1.00 0.00 C ATOM 83 O6 G A 3 0.917 1.427 6.093 1.00 0.00 O ATOM 84 N1 G A 3 1.604 3.583 5.909 1.00 0.00 N ATOM 85 C2 G A 3 2.559 4.576 5.962 1.00 0.00 C ATOM 86 N2 G A 3 2.157 5.816 5.675 1.00 0.00 N ATOM 87 N3 G A 3 3.836 4.355 6.280 1.00 0.00 N ATOM 88 C4 G A 3 4.083 3.050 6.551 1.00 0.00 C ATOM 0 H5' G A 3 9.820 1.184 8.262 1.00 0.00 H new ATOM 0 H5'' G A 3 9.530 1.703 9.911 1.00 0.00 H new ATOM 0 H4' G A 3 9.077 3.494 8.345 1.00 0.00 H new ATOM 0 H3' G A 3 6.643 2.380 9.841 1.00 0.00 H new ATOM 0 H2' G A 3 5.418 4.260 8.775 1.00 0.00 H new ATOM 0 HO2' G A 3 6.569 5.877 7.674 1.00 0.00 H new ATOM 0 H1' G A 3 6.638 3.984 6.262 1.00 0.00 H new ATOM 0 H8 G A 3 5.848 0.498 7.407 1.00 0.00 H new ATOM 0 H1 G A 3 0.655 3.855 5.655 1.00 0.00 H new ATOM 0 H21 G A 3 2.824 6.587 5.700 1.00 0.00 H new ATOM 0 H22 G A 3 1.182 5.992 5.431 1.00 0.00 H new ATOM 100 P G A 4 6.767 4.455 11.651 1.00 0.00 P ATOM 101 OP1 G A 4 7.618 4.912 12.772 1.00 0.00 O ATOM 102 OP2 G A 4 5.723 3.435 11.894 1.00 0.00 O ATOM 103 O5' G A 4 6.055 5.755 11.004 1.00 0.00 O ATOM 104 C5' G A 4 6.773 6.962 10.808 1.00 0.00 C ATOM 105 C4' G A 4 5.818 8.054 10.306 1.00 0.00 C ATOM 106 O4' G A 4 5.199 7.681 9.072 1.00 0.00 O ATOM 107 C3' G A 4 4.685 8.303 11.283 1.00 0.00 C ATOM 108 O3' G A 4 5.067 9.182 12.325 1.00 0.00 O ATOM 109 C2' G A 4 3.669 8.944 10.371 1.00 0.00 C ATOM 110 O2' G A 4 4.036 10.285 10.119 1.00 0.00 O ATOM 111 C1' G A 4 3.841 8.148 9.088 1.00 0.00 C ATOM 112 N9 G A 4 2.924 6.993 9.062 1.00 0.00 N ATOM 113 C8 G A 4 3.219 5.671 9.240 1.00 0.00 C ATOM 114 N7 G A 4 2.198 4.872 9.092 1.00 0.00 N ATOM 115 C5 G A 4 1.144 5.730 8.793 1.00 0.00 C ATOM 116 C6 G A 4 -0.226 5.438 8.518 1.00 0.00 C ATOM 117 O6 G A 4 -0.779 4.342 8.474 1.00 0.00 O ATOM 118 N1 G A 4 -0.959 6.596 8.283 1.00 0.00 N ATOM 119 C2 G A 4 -0.442 7.873 8.287 1.00 0.00 C ATOM 120 N2 G A 4 -1.300 8.868 8.037 1.00 0.00 N ATOM 121 N3 G A 4 0.845 8.151 8.530 1.00 0.00 N ATOM 122 C4 G A 4 1.578 7.034 8.778 1.00 0.00 C ATOM 0 H5' G A 4 7.575 6.807 10.087 1.00 0.00 H new ATOM 0 H5'' G A 4 7.240 7.275 11.742 1.00 0.00 H new ATOM 0 H4' G A 4 6.433 8.946 10.186 1.00 0.00 H new ATOM 0 H3' G A 4 4.337 7.410 11.802 1.00 0.00 H new ATOM 0 H2' G A 4 2.657 8.944 10.775 1.00 0.00 H new ATOM 0 HO2' G A 4 4.719 10.564 10.764 1.00 0.00 H new ATOM 0 H1' G A 4 3.617 8.769 8.221 1.00 0.00 H new ATOM 0 H8 G A 4 4.211 5.318 9.482 1.00 0.00 H new ATOM 0 H1 G A 4 -1.956 6.492 8.093 1.00 0.00 H new ATOM 0 H21 G A 4 -0.972 9.834 8.027 1.00 0.00 H new ATOM 0 H22 G A 4 -2.282 8.661 7.856 1.00 0.00 H new ATOM 134 P U A 5 4.254 9.219 13.716 1.00 0.00 P ATOM 135 OP1 U A 5 4.698 10.408 14.478 1.00 0.00 O ATOM 136 OP2 U A 5 4.350 7.877 14.331 1.00 0.00 O ATOM 137 O5' U A 5 2.724 9.449 13.269 1.00 0.00 O ATOM 138 C5' U A 5 2.252 10.714 12.861 1.00 0.00 C ATOM 139 C4' U A 5 0.750 10.620 12.547 1.00 0.00 C ATOM 140 O4' U A 5 0.459 9.847 11.375 1.00 0.00 O ATOM 141 C3' U A 5 -0.030 9.987 13.668 1.00 0.00 C ATOM 142 O3' U A 5 -0.242 10.875 14.749 1.00 0.00 O ATOM 143 C2' U A 5 -1.302 9.686 12.922 1.00 0.00 C ATOM 144 O2' U A 5 -2.026 10.877 12.690 1.00 0.00 O ATOM 145 C1' U A 5 -0.786 9.158 11.606 1.00 0.00 C ATOM 146 N1 U A 5 -0.526 7.701 11.687 1.00 0.00 N ATOM 147 C2 U A 5 -1.560 6.821 11.387 1.00 0.00 C ATOM 148 O2 U A 5 -2.696 7.203 11.106 1.00 0.00 O ATOM 149 N3 U A 5 -1.238 5.473 11.418 1.00 0.00 N ATOM 150 C4 U A 5 0.006 4.938 11.719 1.00 0.00 C ATOM 151 O4 U A 5 0.182 3.723 11.712 1.00 0.00 O ATOM 152 C5 U A 5 1.014 5.928 12.021 1.00 0.00 C ATOM 153 C6 U A 5 0.719 7.248 11.993 1.00 0.00 C ATOM 0 H5' U A 5 2.799 11.052 11.981 1.00 0.00 H new ATOM 0 H5'' U A 5 2.426 11.450 13.646 1.00 0.00 H new ATOM 0 H4' U A 5 0.454 11.658 12.395 1.00 0.00 H new ATOM 0 H3' U A 5 0.450 9.134 14.147 1.00 0.00 H new ATOM 0 H2' U A 5 -1.966 9.004 13.454 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.692 11.584 13.281 1.00 0.00 H new ATOM 0 H1' U A 5 -1.511 9.319 10.808 1.00 0.00 H new ATOM 0 H3 U A 5 -1.985 4.814 11.199 1.00 0.00 H new ATOM 0 H5 U A 5 2.015 5.610 12.272 1.00 0.00 H new ATOM 0 H6 U A 5 1.496 7.963 12.220 1.00 0.00 H new ATOM 164 P C A 6 -0.709 10.320 16.190 1.00 0.00 P ATOM 165 OP1 C A 6 -0.991 11.481 17.064 1.00 0.00 O ATOM 166 OP2 C A 6 0.267 9.295 16.621 1.00 0.00 O ATOM 167 O5' C A 6 -2.100 9.580 15.873 1.00 0.00 O ATOM 168 C5' C A 6 -3.279 10.314 15.632 1.00 0.00 C ATOM 169 C4' C A 6 -4.409 9.347 15.277 1.00 0.00 C ATOM 170 O4' C A 6 -4.117 8.607 14.091 1.00 0.00 O ATOM 171 C3' C A 6 -4.636 8.305 16.352 1.00 0.00 C ATOM 172 O3' C A 6 -5.351 8.809 17.462 1.00 0.00 O ATOM 173 C2' C A 6 -5.443 7.306 15.565 1.00 0.00 C ATOM 174 O2' C A 6 -6.755 7.793 15.376 1.00 0.00 O ATOM 175 C1' C A 6 -4.722 7.312 14.222 1.00 0.00 C ATOM 176 N1 C A 6 -3.690 6.246 14.206 1.00 0.00 N ATOM 177 C2 C A 6 -4.133 4.949 13.998 1.00 0.00 C ATOM 178 O2 C A 6 -5.324 4.732 13.790 1.00 0.00 O ATOM 179 N3 C A 6 -3.222 3.939 14.035 1.00 0.00 N ATOM 180 C4 C A 6 -1.928 4.188 14.273 1.00 0.00 C ATOM 181 N4 C A 6 -1.070 3.164 14.312 1.00 0.00 N ATOM 182 C5 C A 6 -1.451 5.524 14.475 1.00 0.00 C ATOM 183 C6 C A 6 -2.366 6.517 14.427 1.00 0.00 C ATOM 0 H5' C A 6 -3.121 11.022 14.818 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.546 10.896 16.514 1.00 0.00 H new ATOM 0 H4' C A 6 -5.287 9.982 15.154 1.00 0.00 H new ATOM 0 H3' C A 6 -3.726 7.916 16.808 1.00 0.00 H new ATOM 0 H2' C A 6 -5.520 6.328 16.041 1.00 0.00 H new ATOM 0 HO2' C A 6 -7.275 7.140 14.863 1.00 0.00 H new ATOM 0 H1' C A 6 -5.406 7.121 13.395 1.00 0.00 H new ATOM 0 H41 C A 6 -0.081 3.334 14.492 1.00 0.00 H new ATOM 0 H42 C A 6 -1.405 2.212 14.162 1.00 0.00 H new ATOM 0 H5 C A 6 -0.406 5.728 14.658 1.00 0.00 H new ATOM 0 H6 C A 6 -2.048 7.540 14.565 1.00 0.00 H new ATOM 195 P U A 7 -5.400 7.988 18.852 1.00 0.00 P ATOM 196 OP1 U A 7 -6.258 8.736 19.798 1.00 0.00 O ATOM 197 OP2 U A 7 -4.008 7.657 19.231 1.00 0.00 O ATOM 198 O5' U A 7 -6.151 6.612 18.473 1.00 0.00 O ATOM 199 C5' U A 7 -7.548 6.577 18.265 1.00 0.00 C ATOM 200 C4' U A 7 -7.991 5.133 18.012 1.00 0.00 C ATOM 201 O4' U A 7 -7.358 4.572 16.857 1.00 0.00 O ATOM 202 C3' U A 7 -7.608 4.210 19.150 1.00 0.00 C ATOM 203 O3' U A 7 -8.450 4.340 20.280 1.00 0.00 O ATOM 204 C2' U A 7 -7.792 2.885 18.464 1.00 0.00 C ATOM 205 O2' U A 7 -9.169 2.605 18.333 1.00 0.00 O ATOM 206 C1' U A 7 -7.221 3.155 17.081 1.00 0.00 C ATOM 207 N1 U A 7 -5.795 2.738 17.010 1.00 0.00 N ATOM 208 C2 U A 7 -5.541 1.379 16.876 1.00 0.00 C ATOM 209 O2 U A 7 -6.443 0.544 16.840 1.00 0.00 O ATOM 210 N3 U A 7 -4.211 1.009 16.783 1.00 0.00 N ATOM 211 C4 U A 7 -3.123 1.863 16.818 1.00 0.00 C ATOM 212 O4 U A 7 -1.980 1.421 16.739 1.00 0.00 O ATOM 213 C5 U A 7 -3.474 3.263 16.947 1.00 0.00 C ATOM 214 C6 U A 7 -4.770 3.651 17.034 1.00 0.00 C ATOM 0 H5' U A 7 -7.816 7.205 17.415 1.00 0.00 H new ATOM 0 H5'' U A 7 -8.066 6.980 19.135 1.00 0.00 H new ATOM 0 H4' U A 7 -9.072 5.197 17.891 1.00 0.00 H new ATOM 0 H3' U A 7 -6.618 4.394 19.568 1.00 0.00 H new ATOM 0 H2' U A 7 -7.329 2.052 18.993 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.286 1.741 17.885 1.00 0.00 H new ATOM 0 H1' U A 7 -7.750 2.586 16.316 1.00 0.00 H new ATOM 0 H3 U A 7 -4.014 0.014 16.679 1.00 0.00 H new ATOM 0 H5 U A 7 -2.692 4.008 16.974 1.00 0.00 H new ATOM 0 H6 U A 7 -5.001 4.702 17.124 1.00 0.00 H new ATOM 225 P C A 8 -8.060 3.635 21.684 1.00 0.00 P ATOM 226 OP1 C A 8 -9.141 3.914 22.655 1.00 0.00 O ATOM 227 OP2 C A 8 -6.667 4.014 22.009 1.00 0.00 O ATOM 228 O5' C A 8 -8.080 2.055 21.352 1.00 0.00 O ATOM 229 C5' C A 8 -9.299 1.353 21.219 1.00 0.00 C ATOM 230 C4' C A 8 -9.012 -0.124 20.927 1.00 0.00 C ATOM 231 O4' C A 8 -8.251 -0.293 19.735 1.00 0.00 O ATOM 232 C3' C A 8 -8.174 -0.774 22.003 1.00 0.00 C ATOM 233 O3' C A 8 -8.913 -1.058 23.172 1.00 0.00 O ATOM 234 C2' C A 8 -7.739 -2.024 21.294 1.00 0.00 C ATOM 235 O2' C A 8 -8.803 -2.952 21.262 1.00 0.00 O ATOM 236 C1' C A 8 -7.480 -1.501 19.880 1.00 0.00 C ATOM 237 N1 C A 8 -6.027 -1.226 19.714 1.00 0.00 N ATOM 238 C2 C A 8 -5.187 -2.316 19.519 1.00 0.00 C ATOM 239 O2 C A 8 -5.652 -3.452 19.461 1.00 0.00 O ATOM 240 N3 C A 8 -3.849 -2.088 19.398 1.00 0.00 N ATOM 241 C4 C A 8 -3.353 -0.844 19.469 1.00 0.00 C ATOM 242 N4 C A 8 -2.035 -0.664 19.333 1.00 0.00 N ATOM 243 C5 C A 8 -4.205 0.287 19.679 1.00 0.00 C ATOM 244 C6 C A 8 -5.529 0.044 19.792 1.00 0.00 C ATOM 0 H5' C A 8 -9.893 1.785 20.413 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.886 1.446 22.133 1.00 0.00 H new ATOM 0 H4' C A 8 -10.000 -0.578 20.855 1.00 0.00 H new ATOM 0 H3' C A 8 -7.359 -0.150 22.371 1.00 0.00 H new ATOM 0 H2' C A 8 -6.889 -2.527 21.756 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.479 -2.698 21.925 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.327 -1.478 23.835 1.00 0.00 H new ATOM 0 H1' C A 8 -7.770 -2.228 19.121 1.00 0.00 H new ATOM 0 H41 C A 8 -1.641 0.275 19.384 1.00 0.00 H new ATOM 0 H42 C A 8 -1.424 -1.466 19.178 1.00 0.00 H new ATOM 0 H5 C A 8 -3.807 1.289 19.744 1.00 0.00 H new ATOM 0 H6 C A 8 -6.207 0.870 19.947 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.893 -10.937 17.426 1.00 0.00 O ATOM 259 C5' G B 9 3.193 -10.214 16.437 1.00 0.00 C ATOM 260 C4' G B 9 1.710 -10.148 16.803 1.00 0.00 C ATOM 261 O4' G B 9 1.504 -9.396 17.999 1.00 0.00 O ATOM 262 C3' G B 9 0.899 -9.427 15.746 1.00 0.00 C ATOM 263 O3' G B 9 0.623 -10.238 14.619 1.00 0.00 O ATOM 264 C2' G B 9 -0.343 -9.127 16.541 1.00 0.00 C ATOM 265 O2' G B 9 -1.094 -10.310 16.709 1.00 0.00 O ATOM 266 C1' G B 9 0.238 -8.729 17.888 1.00 0.00 C ATOM 267 N9 G B 9 0.440 -7.268 17.926 1.00 0.00 N ATOM 268 C8 G B 9 1.561 -6.547 17.612 1.00 0.00 C ATOM 269 N7 G B 9 1.423 -5.259 17.761 1.00 0.00 N ATOM 270 C5 G B 9 0.110 -5.113 18.196 1.00 0.00 C ATOM 271 C6 G B 9 -0.623 -3.933 18.519 1.00 0.00 C ATOM 272 O6 G B 9 -0.235 -2.767 18.502 1.00 0.00 O ATOM 273 N1 G B 9 -1.931 -4.227 18.887 1.00 0.00 N ATOM 274 C2 G B 9 -2.469 -5.495 18.948 1.00 0.00 C ATOM 275 N2 G B 9 -3.750 -5.588 19.317 1.00 0.00 N ATOM 276 N3 G B 9 -1.782 -6.604 18.658 1.00 0.00 N ATOM 277 C4 G B 9 -0.504 -6.339 18.289 1.00 0.00 C ATOM 0 H5' G B 9 3.317 -10.693 15.466 1.00 0.00 H new ATOM 0 H5'' G B 9 3.602 -9.207 16.351 1.00 0.00 H new ATOM 0 H4' G B 9 1.396 -11.186 16.911 1.00 0.00 H new ATOM 0 H3' G B 9 1.394 -8.560 15.307 1.00 0.00 H new ATOM 0 H2' G B 9 -0.992 -8.381 16.082 1.00 0.00 H new ATOM 0 HO2' G B 9 -0.838 -10.960 16.022 1.00 0.00 H new ATOM 0 HO5' G B 9 4.843 -10.980 17.189 1.00 0.00 H new ATOM 0 H1' G B 9 -0.427 -9.005 18.706 1.00 0.00 H new ATOM 0 H8 G B 9 2.478 -7.005 17.271 1.00 0.00 H new ATOM 0 H1 G B 9 -2.539 -3.445 19.130 1.00 0.00 H new ATOM 0 H21 G B 9 -4.198 -6.502 19.379 1.00 0.00 H new ATOM 0 H22 G B 9 -4.280 -4.745 19.537 1.00 0.00 H new ATOM 290 P A B 10 0.114 -9.577 13.232 1.00 0.00 P ATOM 291 OP1 A B 10 -0.123 -10.670 12.263 1.00 0.00 O ATOM 292 OP2 A B 10 1.045 -8.481 12.887 1.00 0.00 O ATOM 293 O5' A B 10 -1.312 -8.921 13.607 1.00 0.00 O ATOM 294 C5' A B 10 -2.478 -9.713 13.707 1.00 0.00 C ATOM 295 C4' A B 10 -3.667 -8.821 14.072 1.00 0.00 C ATOM 296 O4' A B 10 -3.426 -8.104 15.277 1.00 0.00 O ATOM 297 C3' A B 10 -3.921 -7.755 13.030 1.00 0.00 C ATOM 298 O3' A B 10 -4.578 -8.273 11.884 1.00 0.00 O ATOM 299 C2' A B 10 -4.791 -6.807 13.815 1.00 0.00 C ATOM 300 O2' A B 10 -6.104 -7.320 13.904 1.00 0.00 O ATOM 301 C1' A B 10 -4.146 -6.864 15.200 1.00 0.00 C ATOM 302 N9 A B 10 -3.221 -5.721 15.374 1.00 0.00 N ATOM 303 C8 A B 10 -1.854 -5.685 15.258 1.00 0.00 C ATOM 304 N7 A B 10 -1.336 -4.505 15.465 1.00 0.00 N ATOM 305 C5 A B 10 -2.438 -3.701 15.740 1.00 0.00 C ATOM 306 C6 A B 10 -2.568 -2.331 16.047 1.00 0.00 C ATOM 307 N6 A B 10 -1.528 -1.493 16.129 1.00 0.00 N ATOM 308 N1 A B 10 -3.809 -1.855 16.266 1.00 0.00 N ATOM 309 C2 A B 10 -4.843 -2.688 16.184 1.00 0.00 C ATOM 310 N3 A B 10 -4.851 -3.985 15.905 1.00 0.00 N ATOM 311 C4 A B 10 -3.591 -4.434 15.690 1.00 0.00 C ATOM 0 H5' A B 10 -2.343 -10.486 14.464 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.667 -10.222 12.762 1.00 0.00 H new ATOM 0 H4' A B 10 -4.514 -9.502 14.160 1.00 0.00 H new ATOM 0 H3' A B 10 -3.021 -7.300 12.615 1.00 0.00 H new ATOM 0 H2' A B 10 -4.858 -5.809 13.381 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.664 -6.700 14.416 1.00 0.00 H new ATOM 0 H1' A B 10 -4.899 -6.806 15.986 1.00 0.00 H new ATOM 0 H8 A B 10 -1.260 -6.555 15.017 1.00 0.00 H new ATOM 0 H61 A B 10 -1.682 -0.510 16.355 1.00 0.00 H new ATOM 0 H62 A B 10 -0.582 -1.837 15.966 1.00 0.00 H new ATOM 0 H2 A B 10 -5.811 -2.247 16.371 1.00 0.00 H new ATOM 323 P G B 11 -4.636 -7.432 10.504 1.00 0.00 P ATOM 324 OP1 G B 11 -5.408 -8.221 9.518 1.00 0.00 O ATOM 325 OP2 G B 11 -3.259 -6.999 10.178 1.00 0.00 O ATOM 326 O5' G B 11 -5.492 -6.124 10.878 1.00 0.00 O ATOM 327 C5' G B 11 -6.896 -6.185 11.036 1.00 0.00 C ATOM 328 C4' G B 11 -7.398 -4.804 11.455 1.00 0.00 C ATOM 329 O4' G B 11 -6.758 -4.387 12.653 1.00 0.00 O ATOM 330 C3' G B 11 -7.074 -3.739 10.442 1.00 0.00 C ATOM 331 O3' G B 11 -7.968 -3.765 9.339 1.00 0.00 O ATOM 332 C2' G B 11 -7.269 -2.510 11.300 1.00 0.00 C ATOM 333 O2' G B 11 -8.644 -2.217 11.422 1.00 0.00 O ATOM 334 C1' G B 11 -6.749 -2.961 12.661 1.00 0.00 C ATOM 335 N9 G B 11 -5.383 -2.441 12.846 1.00 0.00 N ATOM 336 C8 G B 11 -4.177 -3.078 12.704 1.00 0.00 C ATOM 337 N7 G B 11 -3.145 -2.302 12.897 1.00 0.00 N ATOM 338 C5 G B 11 -3.709 -1.061 13.182 1.00 0.00 C ATOM 339 C6 G B 11 -3.088 0.190 13.472 1.00 0.00 C ATOM 340 O6 G B 11 -1.889 0.448 13.550 1.00 0.00 O ATOM 341 N1 G B 11 -4.030 1.191 13.682 1.00 0.00 N ATOM 342 C2 G B 11 -5.397 1.014 13.631 1.00 0.00 C ATOM 343 N2 G B 11 -6.156 2.086 13.868 1.00 0.00 N ATOM 344 N3 G B 11 -5.979 -0.155 13.366 1.00 0.00 N ATOM 345 C4 G B 11 -5.079 -1.143 13.151 1.00 0.00 C ATOM 0 H5' G B 11 -7.160 -6.928 11.788 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.369 -6.493 10.103 1.00 0.00 H new ATOM 0 H4' G B 11 -8.477 -4.910 11.568 1.00 0.00 H new ATOM 0 H3' G B 11 -6.093 -3.827 9.975 1.00 0.00 H new ATOM 0 H2' G B 11 -6.774 -1.626 10.897 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.760 -1.420 11.980 1.00 0.00 H new ATOM 0 H1' G B 11 -7.364 -2.588 13.480 1.00 0.00 H new ATOM 0 H8 G B 11 -4.089 -4.125 12.455 1.00 0.00 H new ATOM 0 H1 G B 11 -3.684 2.128 13.890 1.00 0.00 H new ATOM 0 H21 G B 11 -7.173 2.007 13.842 1.00 0.00 H new ATOM 0 H22 G B 11 -5.719 2.984 14.075 1.00 0.00 H new ATOM 357 P G B 12 -7.800 -2.737 8.098 1.00 0.00 P ATOM 358 OP1 G B 12 -8.700 -3.184 7.012 1.00 0.00 O ATOM 359 OP2 G B 12 -6.353 -2.581 7.832 1.00 0.00 O ATOM 360 O5' G B 12 -8.360 -1.326 8.659 1.00 0.00 O ATOM 361 C5' G B 12 -9.748 -1.116 8.862 1.00 0.00 C ATOM 362 C4' G B 12 -9.997 0.341 9.279 1.00 0.00 C ATOM 363 O4' G B 12 -9.290 0.671 10.478 1.00 0.00 O ATOM 364 C3' G B 12 -9.514 1.322 8.227 1.00 0.00 C ATOM 365 O3' G B 12 -10.470 1.513 7.201 1.00 0.00 O ATOM 366 C2' G B 12 -9.370 2.568 9.060 1.00 0.00 C ATOM 367 O2' G B 12 -10.652 3.104 9.323 1.00 0.00 O ATOM 368 C1' G B 12 -8.812 2.022 10.361 1.00 0.00 C ATOM 369 N9 G B 12 -7.337 2.022 10.350 1.00 0.00 N ATOM 370 C8 G B 12 -6.490 0.954 10.267 1.00 0.00 C ATOM 371 N7 G B 12 -5.228 1.265 10.365 1.00 0.00 N ATOM 372 C5 G B 12 -5.237 2.647 10.524 1.00 0.00 C ATOM 373 C6 G B 12 -4.151 3.558 10.690 1.00 0.00 C ATOM 374 O6 G B 12 -2.949 3.310 10.737 1.00 0.00 O ATOM 375 N1 G B 12 -4.595 4.871 10.800 1.00 0.00 N ATOM 376 C2 G B 12 -5.916 5.262 10.775 1.00 0.00 C ATOM 377 N2 G B 12 -6.155 6.573 10.894 1.00 0.00 N ATOM 378 N3 G B 12 -6.939 4.410 10.634 1.00 0.00 N ATOM 379 C4 G B 12 -6.526 3.122 10.511 1.00 0.00 C ATOM 0 H5' G B 12 -10.119 -1.793 9.632 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.297 -1.341 7.948 1.00 0.00 H new ATOM 0 H4' G B 12 -11.075 0.420 9.419 1.00 0.00 H new ATOM 0 H3' G B 12 -8.612 1.005 7.703 1.00 0.00 H new ATOM 0 H2' G B 12 -8.763 3.342 8.591 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.250 2.904 8.573 1.00 0.00 H new ATOM 0 H1' G B 12 -9.132 2.642 11.199 1.00 0.00 H new ATOM 0 H8 G B 12 -6.836 -0.060 10.132 1.00 0.00 H new ATOM 0 H1 G B 12 -3.890 5.600 10.907 1.00 0.00 H new ATOM 0 H21 G B 12 -7.114 6.920 10.882 1.00 0.00 H new ATOM 0 H22 G B 12 -5.378 7.226 10.997 1.00 0.00 H new ATOM 391 P U B 13 -10.035 2.101 5.765 1.00 0.00 P ATOM 392 OP1 U B 13 -11.262 2.486 5.034 1.00 0.00 O ATOM 393 OP2 U B 13 -9.089 1.142 5.154 1.00 0.00 O ATOM 394 O5' U B 13 -9.216 3.445 6.119 1.00 0.00 O ATOM 395 C5' U B 13 -9.870 4.647 6.473 1.00 0.00 C ATOM 396 C4' U B 13 -8.826 5.761 6.624 1.00 0.00 C ATOM 397 O4' U B 13 -7.960 5.594 7.747 1.00 0.00 O ATOM 398 C3' U B 13 -7.955 5.879 5.412 1.00 0.00 C ATOM 399 O3' U B 13 -8.638 6.546 4.365 1.00 0.00 O ATOM 400 C2' U B 13 -6.835 6.699 5.988 1.00 0.00 C ATOM 401 O2' U B 13 -7.235 8.049 6.104 1.00 0.00 O ATOM 402 C1' U B 13 -6.668 6.106 7.380 1.00 0.00 C ATOM 403 N1 U B 13 -5.706 4.981 7.380 1.00 0.00 N ATOM 404 C2 U B 13 -4.364 5.252 7.627 1.00 0.00 C ATOM 405 O2 U B 13 -3.936 6.395 7.781 1.00 0.00 O ATOM 406 N3 U B 13 -3.525 4.150 7.696 1.00 0.00 N ATOM 407 C4 U B 13 -3.905 2.825 7.542 1.00 0.00 C ATOM 408 O4 U B 13 -3.073 1.924 7.610 1.00 0.00 O ATOM 409 C5 U B 13 -5.320 2.641 7.311 1.00 0.00 C ATOM 410 C6 U B 13 -6.155 3.703 7.242 1.00 0.00 C ATOM 0 H5' U B 13 -10.418 4.516 7.406 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.600 4.917 5.710 1.00 0.00 H new ATOM 0 H4' U B 13 -9.424 6.661 6.767 1.00 0.00 H new ATOM 0 H3' U B 13 -7.636 4.941 4.958 1.00 0.00 H new ATOM 0 H2' U B 13 -5.929 6.679 5.383 1.00 0.00 H new ATOM 0 HO2' U B 13 -8.030 8.203 5.552 1.00 0.00 H new ATOM 0 H1' U B 13 -6.294 6.864 8.068 1.00 0.00 H new ATOM 0 H3 U B 13 -2.537 4.330 7.877 1.00 0.00 H new ATOM 0 H5 U B 13 -5.716 1.643 7.192 1.00 0.00 H new ATOM 0 H6 U B 13 -7.208 3.532 7.073 1.00 0.00 H new ATOM 421 P C B 14 -7.977 6.690 2.912 1.00 0.00 P ATOM 422 OP1 C B 14 -8.926 7.411 2.035 1.00 0.00 O ATOM 423 OP2 C B 14 -7.458 5.364 2.510 1.00 0.00 O ATOM 424 O5' C B 14 -6.732 7.654 3.208 1.00 0.00 O ATOM 425 C5' C B 14 -5.544 7.522 2.476 1.00 0.00 C ATOM 426 C4' C B 14 -4.461 8.397 3.098 1.00 0.00 C ATOM 427 O4' C B 14 -4.261 8.064 4.480 1.00 0.00 O ATOM 428 C3' C B 14 -3.146 8.139 2.397 1.00 0.00 C ATOM 429 O3' C B 14 -2.967 8.983 1.277 1.00 0.00 O ATOM 430 C2' C B 14 -2.158 8.432 3.489 1.00 0.00 C ATOM 431 O2' C B 14 -2.026 9.828 3.656 1.00 0.00 O ATOM 432 C1' C B 14 -2.865 7.854 4.707 1.00 0.00 C ATOM 433 N1 C B 14 -2.578 6.401 4.837 1.00 0.00 N ATOM 434 C2 C B 14 -1.275 6.037 5.150 1.00 0.00 C ATOM 435 O2 C B 14 -0.423 6.899 5.346 1.00 0.00 O ATOM 436 N3 C B 14 -0.976 4.711 5.231 1.00 0.00 N ATOM 437 C4 C B 14 -1.913 3.779 5.013 1.00 0.00 C ATOM 438 N4 C B 14 -1.573 2.489 5.090 1.00 0.00 N ATOM 439 C5 C B 14 -3.269 4.138 4.730 1.00 0.00 C ATOM 440 C6 C B 14 -3.557 5.456 4.665 1.00 0.00 C ATOM 0 H5' C B 14 -5.710 7.813 1.439 1.00 0.00 H new ATOM 0 H5'' C B 14 -5.224 6.480 2.468 1.00 0.00 H new ATOM 0 H4' C B 14 -4.779 9.435 3.001 1.00 0.00 H new ATOM 0 H3' C B 14 -3.057 7.135 1.981 1.00 0.00 H new ATOM 0 H2' C B 14 -1.161 8.031 3.304 1.00 0.00 H new ATOM 0 HO2' C B 14 -2.189 10.277 2.800 1.00 0.00 H new ATOM 0 H1' C B 14 -2.528 8.330 5.628 1.00 0.00 H new ATOM 0 H41 C B 14 -2.274 1.766 4.927 1.00 0.00 H new ATOM 0 H42 C B 14 -0.612 2.227 5.312 1.00 0.00 H new ATOM 0 H5 C B 14 -4.030 3.387 4.575 1.00 0.00 H new ATOM 0 H6 C B 14 -4.573 5.770 4.475 1.00 0.00 H new ATOM 452 P U B 15 -2.046 8.523 0.037 1.00 0.00 P ATOM 453 OP1 U B 15 -1.990 9.639 -0.933 1.00 0.00 O ATOM 454 OP2 U B 15 -2.514 7.191 -0.404 1.00 0.00 O ATOM 455 O5' U B 15 -0.582 8.347 0.683 1.00 0.00 O ATOM 456 C5' U B 15 0.218 9.466 0.998 1.00 0.00 C ATOM 457 C4' U B 15 1.593 8.984 1.460 1.00 0.00 C ATOM 458 O4' U B 15 1.502 8.185 2.644 1.00 0.00 O ATOM 459 C3' U B 15 2.249 8.093 0.423 1.00 0.00 C ATOM 460 O3' U B 15 2.842 8.825 -0.632 1.00 0.00 O ATOM 461 C2' U B 15 3.277 7.408 1.278 1.00 0.00 C ATOM 462 O2' U B 15 4.342 8.294 1.555 1.00 0.00 O ATOM 463 C1' U B 15 2.507 7.157 2.566 1.00 0.00 C ATOM 464 N1 U B 15 1.880 5.807 2.557 1.00 0.00 N ATOM 465 C2 U B 15 2.725 4.720 2.732 1.00 0.00 C ATOM 466 O2 U B 15 3.940 4.850 2.856 1.00 0.00 O ATOM 467 N3 U B 15 2.125 3.475 2.767 1.00 0.00 N ATOM 468 C4 U B 15 0.771 3.217 2.651 1.00 0.00 C ATOM 469 O4 U B 15 0.353 2.062 2.688 1.00 0.00 O ATOM 470 C5 U B 15 -0.046 4.405 2.500 1.00 0.00 C ATOM 471 C6 U B 15 0.518 5.638 2.462 1.00 0.00 C ATOM 0 H5' U B 15 -0.255 10.058 1.781 1.00 0.00 H new ATOM 0 H5'' U B 15 0.320 10.113 0.127 1.00 0.00 H new ATOM 0 H4' U B 15 2.172 9.891 1.633 1.00 0.00 H new ATOM 0 H3' U B 15 1.561 7.427 -0.097 1.00 0.00 H new ATOM 0 H2' U B 15 3.701 6.516 0.818 1.00 0.00 H new ATOM 0 HO2' U B 15 5.007 7.841 2.114 1.00 0.00 H new ATOM 0 H1' U B 15 3.171 7.187 3.430 1.00 0.00 H new ATOM 0 H3 U B 15 2.739 2.670 2.890 1.00 0.00 H new ATOM 0 H5 U B 15 -1.118 4.307 2.417 1.00 0.00 H new ATOM 0 H6 U B 15 -0.116 6.506 2.355 1.00 0.00 H new ATOM 482 P C B 16 3.329 8.079 -1.982 1.00 0.00 P ATOM 483 OP1 C B 16 3.927 9.094 -2.878 1.00 0.00 O ATOM 484 OP2 C B 16 2.210 7.242 -2.467 1.00 0.00 O ATOM 485 O5' C B 16 4.507 7.093 -1.487 1.00 0.00 O ATOM 486 C5' C B 16 5.791 7.591 -1.173 1.00 0.00 C ATOM 487 C4' C B 16 6.712 6.428 -0.790 1.00 0.00 C ATOM 488 O4' C B 16 6.220 5.710 0.337 1.00 0.00 O ATOM 489 C3' C B 16 6.812 5.390 -1.884 1.00 0.00 C ATOM 490 O3' C B 16 7.645 5.796 -2.946 1.00 0.00 O ATOM 491 C2' C B 16 7.407 4.245 -1.121 1.00 0.00 C ATOM 492 O2' C B 16 8.787 4.472 -0.927 1.00 0.00 O ATOM 493 C1' C B 16 6.679 4.351 0.218 1.00 0.00 C ATOM 494 N1 C B 16 5.534 3.403 0.234 1.00 0.00 N ATOM 495 C2 C B 16 5.821 2.055 0.410 1.00 0.00 C ATOM 496 O2 C B 16 6.983 1.686 0.570 1.00 0.00 O ATOM 497 N3 C B 16 4.788 1.166 0.399 1.00 0.00 N ATOM 498 C4 C B 16 3.526 1.580 0.217 1.00 0.00 C ATOM 499 N4 C B 16 2.540 0.677 0.225 1.00 0.00 N ATOM 500 C5 C B 16 3.217 2.965 0.023 1.00 0.00 C ATOM 501 C6 C B 16 4.251 3.833 0.043 1.00 0.00 C ATOM 0 H5' C B 16 5.725 8.303 -0.350 1.00 0.00 H new ATOM 0 H5'' C B 16 6.203 8.129 -2.027 1.00 0.00 H new ATOM 0 H4' C B 16 7.674 6.900 -0.591 1.00 0.00 H new ATOM 0 H3' C B 16 5.864 5.173 -2.377 1.00 0.00 H new ATOM 0 H2' C B 16 7.306 3.277 -1.612 1.00 0.00 H new ATOM 0 HO2' C B 16 9.132 5.031 -1.654 1.00 0.00 H new ATOM 0 HO3' C B 16 7.677 5.090 -3.625 1.00 0.00 H new ATOM 0 H1' C B 16 7.332 4.098 1.053 1.00 0.00 H new ATOM 0 H41 C B 16 1.574 0.975 0.088 1.00 0.00 H new ATOM 0 H42 C B 16 2.754 -0.310 0.368 1.00 0.00 H new ATOM 0 H5 C B 16 2.202 3.300 -0.132 1.00 0.00 H new ATOM 0 H6 C B 16 4.061 4.887 -0.095 1.00 0.00 H new TER 514 C B 16