USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 155 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= -0.0905 USER MOD Single : A 1 G O5' : rot 180:sc= -0.022 USER MOD Single : A 2 G O2' : rot -18:sc= 0.011 USER MOD Single : A 3 C O2' : rot -17:sc= 0.062 USER MOD Single : A 4 G O2' : rot 180:sc= -0.38 USER MOD Single : A 5 C O2' : rot -18:sc= 0.0345 USER MOD Single : A 6 A O2' : rot -16:sc= -0.525 USER MOD Single : A 7 U O2' : rot 24:sc= 0.0995 USER MOD Single : A 8 C O2' : rot 180:sc= -0.414 USER MOD Single : A 9 G O2' : rot 21:sc= 0.244 USER MOD Single : A 10 G O2' : rot -5:sc= 0.0801 USER MOD Single : A 11 C O2' : rot -27:sc= 0.0353 USER MOD Single : A 12 G O2' : rot -18:sc= 0.0545 USER MOD Single : A 13 C O2' : rot 180:sc= -0.113 USER MOD Single : A 14 C O2' : rot -26:sc= 0.158 USER MOD Single : A 14 C O3' : rot 180:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.667 -7.167 -9.650 1.00 0.00 O ATOM 2 C5' G A 1 7.665 -8.171 -9.688 1.00 0.00 C ATOM 3 C4' G A 1 8.695 -7.958 -8.579 1.00 0.00 C ATOM 4 O4' G A 1 9.479 -6.799 -8.802 1.00 0.00 O ATOM 5 C3' G A 1 8.062 -7.798 -7.203 1.00 0.00 C ATOM 6 O3' G A 1 7.687 -9.029 -6.617 1.00 0.00 O ATOM 7 C2' G A 1 9.213 -7.130 -6.464 1.00 0.00 C ATOM 8 O2' G A 1 10.243 -8.052 -6.148 1.00 0.00 O ATOM 9 C1' G A 1 9.740 -6.187 -7.545 1.00 0.00 C ATOM 10 N9 G A 1 9.054 -4.881 -7.464 1.00 0.00 N ATOM 11 C8 G A 1 7.994 -4.406 -8.194 1.00 0.00 C ATOM 12 N7 G A 1 7.626 -3.198 -7.874 1.00 0.00 N ATOM 13 C5 G A 1 8.511 -2.841 -6.858 1.00 0.00 C ATOM 14 C6 G A 1 8.618 -1.630 -6.113 1.00 0.00 C ATOM 15 O6 G A 1 7.938 -0.610 -6.212 1.00 0.00 O ATOM 16 N1 G A 1 9.639 -1.677 -5.175 1.00 0.00 N ATOM 17 C2 G A 1 10.465 -2.754 -4.983 1.00 0.00 C ATOM 18 N2 G A 1 11.401 -2.634 -4.045 1.00 0.00 N ATOM 19 N3 G A 1 10.382 -3.894 -5.675 1.00 0.00 N ATOM 20 C4 G A 1 9.383 -3.869 -6.596 1.00 0.00 C ATOM 0 H5' G A 1 8.162 -8.159 -10.658 1.00 0.00 H new ATOM 0 H5'' G A 1 7.204 -9.152 -9.578 1.00 0.00 H new ATOM 0 H4' G A 1 9.310 -8.857 -8.603 1.00 0.00 H new ATOM 0 H3' G A 1 7.124 -7.243 -7.199 1.00 0.00 H new ATOM 0 H2' G A 1 8.907 -6.672 -5.523 1.00 0.00 H new ATOM 0 HO2' G A 1 10.965 -7.587 -5.676 1.00 0.00 H new ATOM 0 HO5' G A 1 6.020 -7.322 -10.369 1.00 0.00 H new ATOM 0 H1' G A 1 10.808 -6.011 -7.414 1.00 0.00 H new ATOM 0 H8 G A 1 7.507 -4.983 -8.966 1.00 0.00 H new ATOM 0 H1 G A 1 9.785 -0.855 -4.589 1.00 0.00 H new ATOM 0 H21 G A 1 12.042 -3.406 -3.862 1.00 0.00 H new ATOM 0 H22 G A 1 11.478 -1.770 -3.509 1.00 0.00 H new ATOM 33 P G A 2 6.618 -9.079 -5.417 1.00 0.00 P ATOM 34 OP1 G A 2 5.486 -8.195 -5.779 1.00 0.00 O ATOM 35 OP2 G A 2 6.352 -10.501 -5.102 1.00 0.00 O ATOM 36 O5' G A 2 7.386 -8.407 -4.171 1.00 0.00 O ATOM 37 C5' G A 2 8.451 -9.078 -3.533 1.00 0.00 C ATOM 38 C4' G A 2 8.993 -8.230 -2.378 1.00 0.00 C ATOM 39 O4' G A 2 9.547 -6.998 -2.834 1.00 0.00 O ATOM 40 C3' G A 2 7.918 -7.862 -1.361 1.00 0.00 C ATOM 41 O3' G A 2 7.625 -8.893 -0.435 1.00 0.00 O ATOM 42 C2' G A 2 8.565 -6.646 -0.707 1.00 0.00 C ATOM 43 O2' G A 2 9.577 -7.029 0.202 1.00 0.00 O ATOM 44 C1' G A 2 9.244 -5.971 -1.897 1.00 0.00 C ATOM 45 N9 G A 2 8.344 -4.976 -2.520 1.00 0.00 N ATOM 46 C8 G A 2 7.422 -5.157 -3.515 1.00 0.00 C ATOM 47 N7 G A 2 6.793 -4.066 -3.856 1.00 0.00 N ATOM 48 C5 G A 2 7.338 -3.090 -3.019 1.00 0.00 C ATOM 49 C6 G A 2 7.048 -1.695 -2.910 1.00 0.00 C ATOM 50 O6 G A 2 6.254 -1.020 -3.559 1.00 0.00 O ATOM 51 N1 G A 2 7.803 -1.089 -1.919 1.00 0.00 N ATOM 52 C2 G A 2 8.720 -1.733 -1.124 1.00 0.00 C ATOM 53 N2 G A 2 9.337 -0.992 -0.208 1.00 0.00 N ATOM 54 N3 G A 2 9.012 -3.032 -1.227 1.00 0.00 N ATOM 55 C4 G A 2 8.278 -3.646 -2.189 1.00 0.00 C ATOM 0 H5' G A 2 9.246 -9.279 -4.251 1.00 0.00 H new ATOM 0 H5'' G A 2 8.110 -10.043 -3.157 1.00 0.00 H new ATOM 0 H4' G A 2 9.755 -8.857 -1.915 1.00 0.00 H new ATOM 0 H3' G A 2 6.938 -7.680 -1.803 1.00 0.00 H new ATOM 0 H2' G A 2 7.848 -6.036 -0.157 1.00 0.00 H new ATOM 0 HO2' G A 2 9.463 -7.973 0.440 1.00 0.00 H new ATOM 0 H1' G A 2 10.143 -5.445 -1.575 1.00 0.00 H new ATOM 0 H8 G A 2 7.232 -6.115 -3.976 1.00 0.00 H new ATOM 0 H1 G A 2 7.668 -0.089 -1.768 1.00 0.00 H new ATOM 0 H21 G A 2 10.028 -1.417 0.411 1.00 0.00 H new ATOM 0 H22 G A 2 9.119 0.001 -0.124 1.00 0.00 H new ATOM 67 P C A 3 6.209 -8.933 0.333 1.00 0.00 P ATOM 68 OP1 C A 3 5.133 -8.760 -0.665 1.00 0.00 O ATOM 69 OP2 C A 3 6.193 -10.119 1.221 1.00 0.00 O ATOM 70 O5' C A 3 6.229 -7.626 1.262 1.00 0.00 O ATOM 71 C5' C A 3 7.066 -7.549 2.398 1.00 0.00 C ATOM 72 C4' C A 3 6.917 -6.176 3.055 1.00 0.00 C ATOM 73 O4' C A 3 7.392 -5.133 2.220 1.00 0.00 O ATOM 74 C3' C A 3 5.476 -5.818 3.391 1.00 0.00 C ATOM 75 O3' C A 3 4.999 -6.464 4.560 1.00 0.00 O ATOM 76 C2' C A 3 5.605 -4.309 3.562 1.00 0.00 C ATOM 77 O2' C A 3 6.212 -3.989 4.803 1.00 0.00 O ATOM 78 C1' C A 3 6.589 -3.977 2.442 1.00 0.00 C ATOM 79 N1 C A 3 5.849 -3.607 1.214 1.00 0.00 N ATOM 80 C2 C A 3 5.570 -2.258 1.020 1.00 0.00 C ATOM 81 O2 C A 3 5.918 -1.417 1.850 1.00 0.00 O ATOM 82 N3 C A 3 4.905 -1.875 -0.098 1.00 0.00 N ATOM 83 C4 C A 3 4.506 -2.789 -0.982 1.00 0.00 C ATOM 84 N4 C A 3 3.838 -2.380 -2.058 1.00 0.00 N ATOM 85 C5 C A 3 4.771 -4.183 -0.801 1.00 0.00 C ATOM 86 C6 C A 3 5.449 -4.558 0.309 1.00 0.00 C ATOM 0 H5' C A 3 8.104 -7.714 2.109 1.00 0.00 H new ATOM 0 H5'' C A 3 6.804 -8.333 3.108 1.00 0.00 H new ATOM 0 H4' C A 3 7.506 -6.260 3.968 1.00 0.00 H new ATOM 0 H3' C A 3 4.749 -6.131 2.642 1.00 0.00 H new ATOM 0 H2' C A 3 4.652 -3.781 3.533 1.00 0.00 H new ATOM 0 HO2' C A 3 6.172 -4.767 5.397 1.00 0.00 H new ATOM 0 H1' C A 3 7.220 -3.131 2.716 1.00 0.00 H new ATOM 0 H41 C A 3 3.521 -3.059 -2.750 1.00 0.00 H new ATOM 0 H42 C A 3 3.643 -1.388 -2.190 1.00 0.00 H new ATOM 0 H5 C A 3 4.441 -4.912 -1.526 1.00 0.00 H new ATOM 0 H6 C A 3 5.674 -5.600 0.481 1.00 0.00 H new ATOM 98 P G A 4 3.411 -6.655 4.806 1.00 0.00 P ATOM 99 OP1 G A 4 2.814 -7.178 3.556 1.00 0.00 O ATOM 100 OP2 G A 4 3.226 -7.408 6.066 1.00 0.00 O ATOM 101 O5' G A 4 2.883 -5.156 5.031 1.00 0.00 O ATOM 102 C5' G A 4 3.183 -4.440 6.211 1.00 0.00 C ATOM 103 C4' G A 4 2.694 -2.997 6.096 1.00 0.00 C ATOM 104 O4' G A 4 3.334 -2.311 5.017 1.00 0.00 O ATOM 105 C3' G A 4 1.201 -2.861 5.850 1.00 0.00 C ATOM 106 O3' G A 4 0.422 -3.029 7.022 1.00 0.00 O ATOM 107 C2' G A 4 1.148 -1.430 5.335 1.00 0.00 C ATOM 108 O2' G A 4 1.300 -0.491 6.386 1.00 0.00 O ATOM 109 C1' G A 4 2.410 -1.390 4.466 1.00 0.00 C ATOM 110 N9 G A 4 2.055 -1.779 3.084 1.00 0.00 N ATOM 111 C8 G A 4 2.157 -3.001 2.460 1.00 0.00 C ATOM 112 N7 G A 4 1.763 -2.990 1.216 1.00 0.00 N ATOM 113 C5 G A 4 1.356 -1.675 1.001 1.00 0.00 C ATOM 114 C6 G A 4 0.835 -1.059 -0.171 1.00 0.00 C ATOM 115 O6 G A 4 0.631 -1.575 -1.267 1.00 0.00 O ATOM 116 N1 G A 4 0.546 0.274 0.020 1.00 0.00 N ATOM 117 C2 G A 4 0.743 0.946 1.203 1.00 0.00 C ATOM 118 N2 G A 4 0.407 2.241 1.214 1.00 0.00 N ATOM 119 N3 G A 4 1.241 0.386 2.313 1.00 0.00 N ATOM 120 C4 G A 4 1.528 -0.933 2.140 1.00 0.00 C ATOM 0 H5' G A 4 4.258 -4.453 6.389 1.00 0.00 H new ATOM 0 H5'' G A 4 2.712 -4.923 7.067 1.00 0.00 H new ATOM 0 H4' G A 4 2.942 -2.565 7.065 1.00 0.00 H new ATOM 0 H3' G A 4 0.790 -3.616 5.179 1.00 0.00 H new ATOM 0 H2' G A 4 0.210 -1.185 4.837 1.00 0.00 H new ATOM 0 HO2' G A 4 1.263 0.418 6.021 1.00 0.00 H new ATOM 0 H1' G A 4 2.847 -0.392 4.443 1.00 0.00 H new ATOM 0 H8 G A 4 2.529 -3.887 2.954 1.00 0.00 H new ATOM 0 H1 G A 4 0.161 0.796 -0.767 1.00 0.00 H new ATOM 0 H21 G A 4 0.530 2.793 2.063 1.00 0.00 H new ATOM 0 H22 G A 4 0.028 2.677 0.373 1.00 0.00 H new ATOM 132 P C A 5 -1.143 -3.396 6.919 1.00 0.00 P ATOM 133 OP1 C A 5 -1.675 -3.522 8.297 1.00 0.00 O ATOM 134 OP2 C A 5 -1.294 -4.534 5.978 1.00 0.00 O ATOM 135 O5' C A 5 -1.810 -2.093 6.240 1.00 0.00 O ATOM 136 C5' C A 5 -1.885 -0.865 6.935 1.00 0.00 C ATOM 137 C4' C A 5 -2.462 0.229 6.038 1.00 0.00 C ATOM 138 O4' C A 5 -1.666 0.426 4.872 1.00 0.00 O ATOM 139 C3' C A 5 -3.860 -0.077 5.523 1.00 0.00 C ATOM 140 O3' C A 5 -4.889 0.137 6.479 1.00 0.00 O ATOM 141 C2' C A 5 -3.920 0.881 4.352 1.00 0.00 C ATOM 142 O2' C A 5 -4.127 2.216 4.791 1.00 0.00 O ATOM 143 C1' C A 5 -2.508 0.786 3.788 1.00 0.00 C ATOM 144 N1 C A 5 -2.455 -0.224 2.701 1.00 0.00 N ATOM 145 C2 C A 5 -2.774 0.207 1.418 1.00 0.00 C ATOM 146 O2 C A 5 -3.063 1.379 1.205 1.00 0.00 O ATOM 147 N3 C A 5 -2.764 -0.687 0.404 1.00 0.00 N ATOM 148 C4 C A 5 -2.438 -1.960 0.648 1.00 0.00 C ATOM 149 N4 C A 5 -2.441 -2.808 -0.380 1.00 0.00 N ATOM 150 C5 C A 5 -2.096 -2.424 1.951 1.00 0.00 C ATOM 151 C6 C A 5 -2.113 -1.524 2.957 1.00 0.00 C ATOM 0 H5' C A 5 -0.892 -0.575 7.278 1.00 0.00 H new ATOM 0 H5'' C A 5 -2.508 -0.981 7.822 1.00 0.00 H new ATOM 0 H4' C A 5 -2.481 1.109 6.681 1.00 0.00 H new ATOM 0 H3' C A 5 -4.025 -1.124 5.270 1.00 0.00 H new ATOM 0 H2' C A 5 -4.723 0.642 3.655 1.00 0.00 H new ATOM 0 HO2' C A 5 -4.476 2.209 5.707 1.00 0.00 H new ATOM 0 H1' C A 5 -2.185 1.731 3.352 1.00 0.00 H new ATOM 0 H41 C A 5 -2.198 -3.788 -0.234 1.00 0.00 H new ATOM 0 H42 C A 5 -2.687 -2.477 -1.313 1.00 0.00 H new ATOM 0 H5 C A 5 -1.833 -3.457 2.127 1.00 0.00 H new ATOM 0 H6 C A 5 -1.857 -1.829 3.961 1.00 0.00 H new ATOM 163 P A A 6 -6.352 -0.519 6.319 1.00 0.00 P ATOM 164 OP1 A A 6 -6.173 -1.958 6.015 1.00 0.00 O ATOM 165 OP2 A A 6 -7.179 -0.100 7.473 1.00 0.00 O ATOM 166 O5' A A 6 -6.947 0.174 4.984 1.00 0.00 O ATOM 167 C5' A A 6 -7.401 1.511 4.985 1.00 0.00 C ATOM 168 C4' A A 6 -7.752 1.939 3.561 1.00 0.00 C ATOM 169 O4' A A 6 -6.673 1.624 2.684 1.00 0.00 O ATOM 170 C3' A A 6 -8.983 1.225 3.010 1.00 0.00 C ATOM 171 O3' A A 6 -10.201 1.874 3.320 1.00 0.00 O ATOM 172 C2' A A 6 -8.695 1.257 1.511 1.00 0.00 C ATOM 173 O2' A A 6 -9.058 2.519 0.995 1.00 0.00 O ATOM 174 C1' A A 6 -7.178 1.183 1.443 1.00 0.00 C ATOM 175 N9 A A 6 -6.710 -0.179 1.120 1.00 0.00 N ATOM 176 C8 A A 6 -6.149 -1.133 1.935 1.00 0.00 C ATOM 177 N7 A A 6 -5.836 -2.242 1.327 1.00 0.00 N ATOM 178 C5 A A 6 -6.229 -2.002 0.000 1.00 0.00 C ATOM 179 C6 A A 6 -6.198 -2.773 -1.178 1.00 0.00 C ATOM 180 N6 A A 6 -5.706 -4.010 -1.226 1.00 0.00 N ATOM 181 N1 A A 6 -6.673 -2.244 -2.307 1.00 0.00 N ATOM 182 C2 A A 6 -7.179 -1.020 -2.269 1.00 0.00 C ATOM 183 N3 A A 6 -7.280 -0.185 -1.245 1.00 0.00 N ATOM 184 C4 A A 6 -6.768 -0.747 -0.124 1.00 0.00 C ATOM 0 H5' A A 6 -6.631 2.166 5.392 1.00 0.00 H new ATOM 0 H5'' A A 6 -8.275 1.608 5.629 1.00 0.00 H new ATOM 0 H4' A A 6 -7.951 3.010 3.610 1.00 0.00 H new ATOM 0 H3' A A 6 -9.124 0.230 3.432 1.00 0.00 H new ATOM 0 H2' A A 6 -9.220 0.472 0.967 1.00 0.00 H new ATOM 0 HO2' A A 6 -9.641 2.979 1.635 1.00 0.00 H new ATOM 0 H1' A A 6 -6.811 1.822 0.640 1.00 0.00 H new ATOM 0 H8 A A 6 -5.982 -0.977 2.990 1.00 0.00 H new ATOM 0 H61 A A 6 -5.707 -4.526 -2.106 1.00 0.00 H new ATOM 0 H62 A A 6 -5.328 -4.441 -0.383 1.00 0.00 H new ATOM 0 H2 A A 6 -7.565 -0.650 -3.207 1.00 0.00 H new ATOM 196 P U A 7 -11.615 1.090 3.257 1.00 0.00 P ATOM 197 OP1 U A 7 -11.521 -0.094 4.143 1.00 0.00 O ATOM 198 OP2 U A 7 -12.706 2.064 3.479 1.00 0.00 O ATOM 199 O5' U A 7 -11.730 0.558 1.740 1.00 0.00 O ATOM 200 C5' U A 7 -12.052 1.409 0.670 1.00 0.00 C ATOM 201 C4' U A 7 -12.181 0.596 -0.626 1.00 0.00 C ATOM 202 O4' U A 7 -11.009 -0.199 -0.822 1.00 0.00 O ATOM 203 C3' U A 7 -13.380 -0.352 -0.552 1.00 0.00 C ATOM 204 O3' U A 7 -14.076 -0.451 -1.783 1.00 0.00 O ATOM 205 C2' U A 7 -12.727 -1.664 -0.170 1.00 0.00 C ATOM 206 O2' U A 7 -13.495 -2.794 -0.523 1.00 0.00 O ATOM 207 C1' U A 7 -11.409 -1.557 -0.940 1.00 0.00 C ATOM 208 N1 U A 7 -10.405 -2.468 -0.358 1.00 0.00 N ATOM 209 C2 U A 7 -9.977 -3.525 -1.148 1.00 0.00 C ATOM 210 O2 U A 7 -10.367 -3.729 -2.294 1.00 0.00 O ATOM 211 N3 U A 7 -9.058 -4.372 -0.562 1.00 0.00 N ATOM 212 C4 U A 7 -8.555 -4.251 0.718 1.00 0.00 C ATOM 213 O4 U A 7 -7.753 -5.084 1.139 1.00 0.00 O ATOM 214 C5 U A 7 -9.043 -3.108 1.463 1.00 0.00 C ATOM 215 C6 U A 7 -9.940 -2.258 0.916 1.00 0.00 C ATOM 0 H5' U A 7 -11.281 2.171 0.556 1.00 0.00 H new ATOM 0 H5'' U A 7 -12.987 1.930 0.877 1.00 0.00 H new ATOM 0 H4' U A 7 -12.312 1.299 -1.448 1.00 0.00 H new ATOM 0 H3' U A 7 -14.144 -0.018 0.150 1.00 0.00 H new ATOM 0 H2' U A 7 -12.605 -1.809 0.903 1.00 0.00 H new ATOM 0 HO2' U A 7 -14.099 -2.562 -1.259 1.00 0.00 H new ATOM 0 H1' U A 7 -11.516 -1.843 -1.986 1.00 0.00 H new ATOM 0 H3 U A 7 -8.722 -5.155 -1.123 1.00 0.00 H new ATOM 0 H5 U A 7 -8.686 -2.933 2.467 1.00 0.00 H new ATOM 0 H6 U A 7 -10.292 -1.410 1.484 1.00 0.00 H new ATOM 226 P C A 8 -14.845 0.819 -2.396 1.00 0.00 P ATOM 227 OP1 C A 8 -14.976 1.851 -1.335 1.00 0.00 O ATOM 228 OP2 C A 8 -16.055 0.316 -3.095 1.00 0.00 O ATOM 229 O5' C A 8 -13.809 1.357 -3.508 1.00 0.00 O ATOM 230 C5' C A 8 -13.813 0.809 -4.819 1.00 0.00 C ATOM 231 C4' C A 8 -12.822 1.554 -5.713 1.00 0.00 C ATOM 232 O4' C A 8 -13.076 2.955 -5.672 1.00 0.00 O ATOM 233 C3' C A 8 -11.388 1.346 -5.253 1.00 0.00 C ATOM 234 O3' C A 8 -10.800 0.172 -5.768 1.00 0.00 O ATOM 235 C2' C A 8 -10.773 2.643 -5.768 1.00 0.00 C ATOM 236 O2' C A 8 -10.562 2.669 -7.163 1.00 0.00 O ATOM 237 C1' C A 8 -11.858 3.642 -5.385 1.00 0.00 C ATOM 238 N1 C A 8 -11.814 4.042 -3.951 1.00 0.00 N ATOM 239 C2 C A 8 -12.711 5.025 -3.541 1.00 0.00 C ATOM 240 O2 C A 8 -13.484 5.534 -4.350 1.00 0.00 O ATOM 241 N3 C A 8 -12.718 5.412 -2.239 1.00 0.00 N ATOM 242 C4 C A 8 -11.866 4.861 -1.374 1.00 0.00 C ATOM 243 N4 C A 8 -11.907 5.255 -0.099 1.00 0.00 N ATOM 244 C5 C A 8 -10.921 3.875 -1.776 1.00 0.00 C ATOM 245 C6 C A 8 -10.922 3.487 -3.064 1.00 0.00 C ATOM 0 H5' C A 8 -14.815 0.874 -5.244 1.00 0.00 H new ATOM 0 H5'' C A 8 -13.552 -0.248 -4.778 1.00 0.00 H new ATOM 0 H4' C A 8 -12.950 1.159 -6.721 1.00 0.00 H new ATOM 0 H3' C A 8 -11.257 1.181 -4.184 1.00 0.00 H new ATOM 0 H2' C A 8 -9.780 2.824 -5.357 1.00 0.00 H new ATOM 0 HO2' C A 8 -10.168 3.529 -7.418 1.00 0.00 H new ATOM 0 H1' C A 8 -11.738 4.576 -5.934 1.00 0.00 H new ATOM 0 H41 C A 8 -11.265 4.848 0.581 1.00 0.00 H new ATOM 0 H42 C A 8 -12.580 5.963 0.195 1.00 0.00 H new ATOM 0 H5 C A 8 -10.224 3.451 -1.068 1.00 0.00 H new ATOM 0 H6 C A 8 -10.221 2.738 -3.402 1.00 0.00 H new ATOM 257 P G A 9 -9.301 -0.254 -5.360 1.00 0.00 P ATOM 258 OP1 G A 9 -9.382 -1.544 -4.642 1.00 0.00 O ATOM 259 OP2 G A 9 -8.630 0.903 -4.725 1.00 0.00 O ATOM 260 O5' G A 9 -8.608 -0.528 -6.784 1.00 0.00 O ATOM 261 C5' G A 9 -8.774 0.401 -7.829 1.00 0.00 C ATOM 262 C4' G A 9 -8.074 -0.095 -9.096 1.00 0.00 C ATOM 263 O4' G A 9 -8.650 -1.311 -9.528 1.00 0.00 O ATOM 264 C3' G A 9 -8.360 0.871 -10.247 1.00 0.00 C ATOM 265 O3' G A 9 -7.498 0.619 -11.342 1.00 0.00 O ATOM 266 C2' G A 9 -9.800 0.480 -10.582 1.00 0.00 C ATOM 267 O2' G A 9 -10.078 0.656 -11.953 1.00 0.00 O ATOM 268 C1' G A 9 -9.881 -0.999 -10.164 1.00 0.00 C ATOM 269 N9 G A 9 -11.041 -1.235 -9.269 1.00 0.00 N ATOM 270 C8 G A 9 -12.247 -0.582 -9.264 1.00 0.00 C ATOM 271 N7 G A 9 -13.076 -0.982 -8.339 1.00 0.00 N ATOM 272 C5 G A 9 -12.373 -1.991 -7.688 1.00 0.00 C ATOM 273 C6 G A 9 -12.766 -2.811 -6.588 1.00 0.00 C ATOM 274 O6 G A 9 -13.825 -2.801 -5.965 1.00 0.00 O ATOM 275 N1 G A 9 -11.767 -3.710 -6.233 1.00 0.00 N ATOM 276 C2 G A 9 -10.557 -3.821 -6.870 1.00 0.00 C ATOM 277 N2 G A 9 -9.723 -4.752 -6.413 1.00 0.00 N ATOM 278 N3 G A 9 -10.182 -3.068 -7.904 1.00 0.00 N ATOM 279 C4 G A 9 -11.130 -2.162 -8.258 1.00 0.00 C ATOM 0 H5' G A 9 -8.365 1.367 -7.534 1.00 0.00 H new ATOM 0 H5'' G A 9 -9.835 0.551 -8.027 1.00 0.00 H new ATOM 0 H4' G A 9 -7.013 -0.191 -8.864 1.00 0.00 H new ATOM 0 H3' G A 9 -8.216 1.925 -10.010 1.00 0.00 H new ATOM 0 H2' G A 9 -10.537 1.098 -10.069 1.00 0.00 H new ATOM 0 HO2' G A 9 -9.238 0.673 -12.458 1.00 0.00 H new ATOM 0 H1' G A 9 -10.034 -1.645 -11.029 1.00 0.00 H new ATOM 0 H8 G A 9 -12.491 0.200 -9.968 1.00 0.00 H new ATOM 0 H1 G A 9 -11.946 -4.331 -5.444 1.00 0.00 H new ATOM 0 H21 G A 9 -8.810 -4.878 -6.850 1.00 0.00 H new ATOM 0 H22 G A 9 -9.997 -5.340 -5.626 1.00 0.00 H new ATOM 291 P G A 10 -6.047 1.298 -11.416 1.00 0.00 P ATOM 292 OP1 G A 10 -6.217 2.761 -11.271 1.00 0.00 O ATOM 293 OP2 G A 10 -5.352 0.752 -12.608 1.00 0.00 O ATOM 294 O5' G A 10 -5.330 0.700 -10.102 1.00 0.00 O ATOM 295 C5' G A 10 -4.330 1.412 -9.385 1.00 0.00 C ATOM 296 C4' G A 10 -4.888 2.633 -8.643 1.00 0.00 C ATOM 297 O4' G A 10 -5.963 2.293 -7.767 1.00 0.00 O ATOM 298 C3' G A 10 -3.762 3.249 -7.807 1.00 0.00 C ATOM 299 O3' G A 10 -3.240 4.400 -8.448 1.00 0.00 O ATOM 300 C2' G A 10 -4.493 3.602 -6.515 1.00 0.00 C ATOM 301 O2' G A 10 -5.096 4.880 -6.554 1.00 0.00 O ATOM 302 C1' G A 10 -5.596 2.553 -6.424 1.00 0.00 C ATOM 303 N9 G A 10 -5.149 1.302 -5.778 1.00 0.00 N ATOM 304 C8 G A 10 -5.074 0.048 -6.330 1.00 0.00 C ATOM 305 N7 G A 10 -4.590 -0.860 -5.526 1.00 0.00 N ATOM 306 C5 G A 10 -4.353 -0.160 -4.340 1.00 0.00 C ATOM 307 C6 G A 10 -3.821 -0.623 -3.102 1.00 0.00 C ATOM 308 O6 G A 10 -3.427 -1.751 -2.806 1.00 0.00 O ATOM 309 N1 G A 10 -3.772 0.386 -2.153 1.00 0.00 N ATOM 310 C2 G A 10 -4.170 1.682 -2.369 1.00 0.00 C ATOM 311 N2 G A 10 -4.065 2.510 -1.331 1.00 0.00 N ATOM 312 N3 G A 10 -4.641 2.136 -3.539 1.00 0.00 N ATOM 313 C4 G A 10 -4.705 1.160 -4.482 1.00 0.00 C ATOM 0 H5' G A 10 -3.554 1.737 -10.078 1.00 0.00 H new ATOM 0 H5'' G A 10 -3.856 0.742 -8.668 1.00 0.00 H new ATOM 0 H4' G A 10 -5.270 3.330 -9.389 1.00 0.00 H new ATOM 0 H3' G A 10 -2.902 2.597 -7.653 1.00 0.00 H new ATOM 0 H2' G A 10 -3.800 3.618 -5.674 1.00 0.00 H new ATOM 0 HO2' G A 10 -4.853 5.331 -7.390 1.00 0.00 H new ATOM 0 H1' G A 10 -6.419 2.921 -5.811 1.00 0.00 H new ATOM 0 H8 G A 10 -5.388 -0.169 -7.340 1.00 0.00 H new ATOM 0 H1 G A 10 -3.415 0.149 -1.228 1.00 0.00 H new ATOM 0 H21 G A 10 -4.344 3.486 -1.427 1.00 0.00 H new ATOM 0 H22 G A 10 -3.705 2.168 -0.440 1.00 0.00 H new ATOM 325 P C A 11 -1.697 4.832 -8.290 1.00 0.00 P ATOM 326 OP1 C A 11 -1.452 5.989 -9.183 1.00 0.00 O ATOM 327 OP2 C A 11 -0.856 3.621 -8.445 1.00 0.00 O ATOM 328 O5' C A 11 -1.583 5.331 -6.763 1.00 0.00 O ATOM 329 C5' C A 11 -2.186 6.536 -6.336 1.00 0.00 C ATOM 330 C4' C A 11 -2.088 6.628 -4.816 1.00 0.00 C ATOM 331 O4' C A 11 -2.758 5.553 -4.181 1.00 0.00 O ATOM 332 C3' C A 11 -0.656 6.597 -4.297 1.00 0.00 C ATOM 333 O3' C A 11 0.017 7.833 -4.423 1.00 0.00 O ATOM 334 C2' C A 11 -0.910 6.178 -2.850 1.00 0.00 C ATOM 335 O2' C A 11 -1.429 7.263 -2.096 1.00 0.00 O ATOM 336 C1' C A 11 -2.016 5.150 -3.031 1.00 0.00 C ATOM 337 N1 C A 11 -1.448 3.792 -3.209 1.00 0.00 N ATOM 338 C2 C A 11 -0.963 3.141 -2.079 1.00 0.00 C ATOM 339 O2 C A 11 -0.975 3.697 -0.984 1.00 0.00 O ATOM 340 N3 C A 11 -0.484 1.874 -2.207 1.00 0.00 N ATOM 341 C4 C A 11 -0.452 1.282 -3.405 1.00 0.00 C ATOM 342 N4 C A 11 0.025 0.042 -3.486 1.00 0.00 N ATOM 343 C5 C A 11 -0.919 1.940 -4.582 1.00 0.00 C ATOM 344 C6 C A 11 -1.407 3.188 -4.428 1.00 0.00 C ATOM 0 H5' C A 11 -3.230 6.566 -6.649 1.00 0.00 H new ATOM 0 H5'' C A 11 -1.690 7.390 -6.798 1.00 0.00 H new ATOM 0 H4' C A 11 -2.548 7.587 -4.579 1.00 0.00 H new ATOM 0 H3' C A 11 0.014 5.937 -4.847 1.00 0.00 H new ATOM 0 H2' C A 11 -0.016 5.828 -2.334 1.00 0.00 H new ATOM 0 HO2' C A 11 -1.121 8.108 -2.484 1.00 0.00 H new ATOM 0 H1' C A 11 -2.659 5.104 -2.152 1.00 0.00 H new ATOM 0 H41 C A 11 0.061 -0.433 -4.388 1.00 0.00 H new ATOM 0 H42 C A 11 0.355 -0.433 -2.646 1.00 0.00 H new ATOM 0 H5 C A 11 -0.883 1.462 -5.550 1.00 0.00 H new ATOM 0 H6 C A 11 -1.774 3.721 -5.293 1.00 0.00 H new ATOM 356 P G A 12 1.625 7.902 -4.478 1.00 0.00 P ATOM 357 OP1 G A 12 2.007 9.302 -4.784 1.00 0.00 O ATOM 358 OP2 G A 12 2.095 6.804 -5.354 1.00 0.00 O ATOM 359 O5' G A 12 2.105 7.568 -2.966 1.00 0.00 O ATOM 360 C5' G A 12 1.900 8.494 -1.917 1.00 0.00 C ATOM 361 C4' G A 12 2.575 7.978 -0.647 1.00 0.00 C ATOM 362 O4' G A 12 1.954 6.794 -0.173 1.00 0.00 O ATOM 363 C3' G A 12 4.044 7.640 -0.881 1.00 0.00 C ATOM 364 O3' G A 12 4.872 8.785 -0.761 1.00 0.00 O ATOM 365 C2' G A 12 4.289 6.621 0.226 1.00 0.00 C ATOM 366 O2' G A 12 4.498 7.267 1.469 1.00 0.00 O ATOM 367 C1' G A 12 2.947 5.885 0.278 1.00 0.00 C ATOM 368 N9 G A 12 2.959 4.687 -0.597 1.00 0.00 N ATOM 369 C8 G A 12 2.456 4.536 -1.866 1.00 0.00 C ATOM 370 N7 G A 12 2.603 3.337 -2.358 1.00 0.00 N ATOM 371 C5 G A 12 3.245 2.634 -1.344 1.00 0.00 C ATOM 372 C6 G A 12 3.658 1.271 -1.292 1.00 0.00 C ATOM 373 O6 G A 12 3.518 0.399 -2.143 1.00 0.00 O ATOM 374 N1 G A 12 4.291 0.965 -0.098 1.00 0.00 N ATOM 375 C2 G A 12 4.501 1.856 0.926 1.00 0.00 C ATOM 376 N2 G A 12 5.140 1.399 1.998 1.00 0.00 N ATOM 377 N3 G A 12 4.103 3.132 0.896 1.00 0.00 N ATOM 378 C4 G A 12 3.492 3.458 -0.271 1.00 0.00 C ATOM 0 H5' G A 12 0.833 8.634 -1.744 1.00 0.00 H new ATOM 0 H5'' G A 12 2.309 9.467 -2.190 1.00 0.00 H new ATOM 0 H4' G A 12 2.481 8.783 0.082 1.00 0.00 H new ATOM 0 H3' G A 12 4.270 7.267 -1.880 1.00 0.00 H new ATOM 0 H2' G A 12 5.160 5.991 0.045 1.00 0.00 H new ATOM 0 HO2' G A 12 4.726 8.208 1.315 1.00 0.00 H new ATOM 0 H1' G A 12 2.747 5.547 1.295 1.00 0.00 H new ATOM 0 H8 G A 12 1.980 5.339 -2.409 1.00 0.00 H new ATOM 0 H1 G A 12 4.625 0.010 0.030 1.00 0.00 H new ATOM 0 H21 G A 12 5.322 2.020 2.787 1.00 0.00 H new ATOM 0 H22 G A 12 5.449 0.427 2.032 1.00 0.00 H new ATOM 390 P C A 13 6.273 8.883 -1.547 1.00 0.00 P ATOM 391 OP1 C A 13 6.850 10.224 -1.289 1.00 0.00 O ATOM 392 OP2 C A 13 6.054 8.448 -2.944 1.00 0.00 O ATOM 393 O5' C A 13 7.198 7.784 -0.828 1.00 0.00 O ATOM 394 C5' C A 13 7.677 7.966 0.489 1.00 0.00 C ATOM 395 C4' C A 13 8.488 6.739 0.910 1.00 0.00 C ATOM 396 O4' C A 13 7.681 5.578 1.040 1.00 0.00 O ATOM 397 C3' C A 13 9.571 6.387 -0.101 1.00 0.00 C ATOM 398 O3' C A 13 10.708 7.224 -0.012 1.00 0.00 O ATOM 399 C2' C A 13 9.851 4.941 0.286 1.00 0.00 C ATOM 400 O2' C A 13 10.639 4.856 1.458 1.00 0.00 O ATOM 401 C1' C A 13 8.444 4.447 0.630 1.00 0.00 C ATOM 402 N1 C A 13 7.818 3.796 -0.547 1.00 0.00 N ATOM 403 C2 C A 13 7.924 2.413 -0.653 1.00 0.00 C ATOM 404 O2 C A 13 8.546 1.766 0.186 1.00 0.00 O ATOM 405 N3 C A 13 7.328 1.784 -1.699 1.00 0.00 N ATOM 406 C4 C A 13 6.666 2.487 -2.619 1.00 0.00 C ATOM 407 N4 C A 13 6.086 1.828 -3.616 1.00 0.00 N ATOM 408 C5 C A 13 6.568 3.910 -2.553 1.00 0.00 C ATOM 409 C6 C A 13 7.157 4.521 -1.501 1.00 0.00 C ATOM 0 H5' C A 13 6.842 8.116 1.174 1.00 0.00 H new ATOM 0 H5'' C A 13 8.297 8.861 0.542 1.00 0.00 H new ATOM 0 H4' C A 13 8.926 7.018 1.868 1.00 0.00 H new ATOM 0 H3' C A 13 9.278 6.521 -1.142 1.00 0.00 H new ATOM 0 H2' C A 13 10.382 4.390 -0.491 1.00 0.00 H new ATOM 0 HO2' C A 13 10.798 3.914 1.678 1.00 0.00 H new ATOM 0 H1' C A 13 8.486 3.706 1.428 1.00 0.00 H new ATOM 0 H41 C A 13 5.573 2.339 -4.334 1.00 0.00 H new ATOM 0 H42 C A 13 6.154 0.811 -3.663 1.00 0.00 H new ATOM 0 H5 C A 13 6.045 4.474 -3.311 1.00 0.00 H new ATOM 0 H6 C A 13 7.105 5.596 -1.412 1.00 0.00 H new ATOM 421 P C A 14 11.743 7.351 -1.235 1.00 0.00 P ATOM 422 OP1 C A 14 10.967 7.572 -2.479 1.00 0.00 O ATOM 423 OP2 C A 14 12.791 8.327 -0.855 1.00 0.00 O ATOM 424 O5' C A 14 12.425 5.899 -1.328 1.00 0.00 O ATOM 425 C5' C A 14 13.328 5.440 -0.343 1.00 0.00 C ATOM 426 C4' C A 14 13.747 3.995 -0.636 1.00 0.00 C ATOM 427 O4' C A 14 12.648 3.099 -0.555 1.00 0.00 O ATOM 428 C3' C A 14 14.346 3.812 -2.029 1.00 0.00 C ATOM 429 O3' C A 14 15.711 4.169 -2.118 1.00 0.00 O ATOM 430 C2' C A 14 14.169 2.314 -2.204 1.00 0.00 C ATOM 431 O2' C A 14 15.186 1.616 -1.508 1.00 0.00 O ATOM 432 C1' C A 14 12.831 2.065 -1.515 1.00 0.00 C ATOM 433 N1 C A 14 11.740 2.094 -2.516 1.00 0.00 N ATOM 434 C2 C A 14 11.216 0.880 -2.943 1.00 0.00 C ATOM 435 O2 C A 14 11.637 -0.183 -2.489 1.00 0.00 O ATOM 436 N3 C A 14 10.229 0.879 -3.875 1.00 0.00 N ATOM 437 C4 C A 14 9.766 2.028 -4.371 1.00 0.00 C ATOM 438 N4 C A 14 8.802 1.974 -5.287 1.00 0.00 N ATOM 439 C5 C A 14 10.279 3.291 -3.942 1.00 0.00 C ATOM 440 C6 C A 14 11.262 3.274 -3.016 1.00 0.00 C ATOM 0 H5' C A 14 12.863 5.498 0.641 1.00 0.00 H new ATOM 0 H5'' C A 14 14.208 6.083 -0.319 1.00 0.00 H new ATOM 0 H4' C A 14 14.497 3.775 0.124 1.00 0.00 H new ATOM 0 H3' C A 14 13.876 4.443 -2.783 1.00 0.00 H new ATOM 0 H2' C A 14 14.211 1.989 -3.244 1.00 0.00 H new ATOM 0 HO2' C A 14 15.979 2.186 -1.430 1.00 0.00 H new ATOM 0 HO3' C A 14 16.028 4.025 -3.034 1.00 0.00 H new ATOM 0 H1' C A 14 12.818 1.089 -1.029 1.00 0.00 H new ATOM 0 H41 C A 14 8.428 2.835 -5.685 1.00 0.00 H new ATOM 0 H42 C A 14 8.438 1.071 -5.591 1.00 0.00 H new ATOM 0 H5 C A 14 9.897 4.219 -4.341 1.00 0.00 H new ATOM 0 H6 C A 14 11.677 4.207 -2.665 1.00 0.00 H new TER 453 C A 14